USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 TYR OH : rot 66:sc= 1.25 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -174:sc= 1.29 (180deg=1.1) USER MOD Set 1.3: A 91 HIS : no HE2:sc= 1.11 K(o=3.7,f=-2.9!) USER MOD Set 2.1: A 50 CYS SG : rot 180:sc= -0.727 USER MOD Set 2.2: A 52 THR OG1 : rot 97:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.16 (180deg=0.383) USER MOD Single : A 3 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 4 HIS :FLIP no HE2:sc= 0.367 F(o=-1.3,f=0.37) USER MOD Single : A 5 HIS : no HD1:sc= -0.0435 X(o=-0.043,f=-0.041) USER MOD Single : A 6 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 8 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.026) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS :FLIP no HE2:sc= 0.0062 F(o=-0.57,f=0.0062) USER MOD Single : A 14 SER OG : rot -6:sc= 0.862 USER MOD Single : A 16 HIS : no HE2:sc= 0.705 K(o=0.71,f=-4.2!) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= -0.484! C(o=-0.48!,f=-6.5!) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.0322 F(o=-1.2,f=-0.032) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 167:sc= 0 (180deg=-0.424) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 157:sc= 0.213 (180deg=-0.587!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0392 X(o=-0.039,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -160:sc= -0.128 (180deg=-0.633) USER MOD Single : A 65 SER OG : rot 58:sc= 1.25 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.608 12.614 -19.147 1.00 0.00 N ATOM 2 CA MET A 1 1.059 11.428 -19.844 1.00 52.33 C ATOM 3 C MET A 1 2.157 10.382 -20.012 1.00 51.52 C ATOM 4 O MET A 1 2.723 10.229 -21.096 1.00 52.22 O ATOM 5 CB MET A 1 0.496 11.809 -21.221 1.00 4.21 C ATOM 6 CG MET A 1 -0.609 12.858 -21.193 1.00 63.13 C ATOM 7 SD MET A 1 -0.024 14.486 -20.670 1.00 62.22 S ATOM 8 CE MET A 1 -1.501 15.473 -20.912 1.00 35.50 C ATOM 0 H1 MET A 1 1.034 13.450 -19.380 1.00 0.00 H new ATOM 0 H2 MET A 1 1.586 12.454 -18.120 1.00 0.00 H new ATOM 0 H3 MET A 1 2.590 12.772 -19.452 1.00 0.00 H new ATOM 0 HA MET A 1 0.247 11.020 -19.242 1.00 52.33 H new ATOM 0 HB2 MET A 1 1.312 12.178 -21.842 1.00 4.21 H new ATOM 0 HB3 MET A 1 0.111 10.910 -21.702 1.00 4.21 H new ATOM 0 HG2 MET A 1 -1.051 12.939 -22.186 1.00 63.13 H new ATOM 0 HG3 MET A 1 -1.399 12.528 -20.518 1.00 63.13 H new ATOM 0 HE1 MET A 1 -1.298 16.507 -20.631 1.00 35.50 H new ATOM 0 HE2 MET A 1 -1.798 15.433 -21.960 1.00 35.50 H new ATOM 0 HE3 MET A 1 -2.307 15.080 -20.292 1.00 35.50 H new ATOM 20 N GLY A 2 2.471 9.678 -18.936 1.00 40.51 N ATOM 21 CA GLY A 2 3.573 8.744 -18.968 1.00 2.31 C ATOM 22 C GLY A 2 3.174 7.347 -18.552 1.00 53.45 C ATOM 23 O GLY A 2 3.895 6.692 -17.801 1.00 24.12 O ATOM 0 H GLY A 2 1.982 9.737 -18.043 1.00 40.51 H new ATOM 0 HA2 GLY A 2 3.987 8.713 -19.976 1.00 2.31 H new ATOM 0 HA3 GLY A 2 4.364 9.101 -18.309 1.00 2.31 H new ATOM 27 N HIS A 3 2.023 6.888 -19.025 1.00 60.20 N ATOM 28 CA HIS A 3 1.590 5.524 -18.761 1.00 61.21 C ATOM 29 C HIS A 3 2.471 4.548 -19.542 1.00 64.15 C ATOM 30 O HIS A 3 2.468 4.543 -20.775 1.00 5.23 O ATOM 31 CB HIS A 3 0.113 5.340 -19.140 1.00 55.24 C ATOM 32 CG HIS A 3 -0.491 4.056 -18.647 1.00 61.24 C ATOM 33 ND1 HIS A 3 -1.456 4.009 -17.667 1.00 20.42 N ATOM 34 CD2 HIS A 3 -0.264 2.771 -19.003 1.00 43.31 C ATOM 35 CE1 HIS A 3 -1.792 2.753 -17.442 1.00 33.04 C ATOM 36 NE2 HIS A 3 -1.084 1.979 -18.242 1.00 21.10 N ATOM 0 H HIS A 3 1.376 7.437 -19.590 1.00 60.20 H new ATOM 0 HA HIS A 3 1.690 5.320 -17.695 1.00 61.21 H new ATOM 0 HB2 HIS A 3 -0.461 6.176 -18.740 1.00 55.24 H new ATOM 0 HB3 HIS A 3 0.020 5.380 -20.225 1.00 55.24 H new ATOM 0 HD2 HIS A 3 0.436 2.431 -19.751 1.00 43.31 H new ATOM 0 HE1 HIS A 3 -2.524 2.415 -16.723 1.00 33.04 H new ATOM 0 HE2 HIS A 3 -1.138 0.961 -18.287 1.00 21.10 H new ATOM 45 N HIS A 4 3.232 3.737 -18.825 1.00 2.14 N ATOM 46 CA HIS A 4 4.123 2.767 -19.448 1.00 42.34 C ATOM 47 C HIS A 4 3.922 1.397 -18.816 1.00 40.15 C ATOM 48 O HIS A 4 3.631 1.297 -17.622 1.00 21.44 O ATOM 49 CB HIS A 4 5.595 3.213 -19.340 1.00 52.44 C ATOM 50 CG HIS A 4 6.090 3.442 -17.941 1.00 43.21 C ATOM 51 ND1 HIS A 4 5.764 4.385 -17.028 1.00 12.32 N flip ATOM 52 CD2 HIS A 4 7.063 2.666 -17.350 1.00 2.11 C flip ATOM 53 CE1 HIS A 4 6.534 4.167 -15.916 1.00 3.55 C flip ATOM 54 NE2 HIS A 4 7.308 3.123 -16.136 1.00 63.02 N flip ATOM 0 H HIS A 4 3.251 3.730 -17.805 1.00 2.14 H new ATOM 0 HA HIS A 4 3.878 2.703 -20.508 1.00 42.34 H new ATOM 0 HB2 HIS A 4 6.223 2.457 -19.812 1.00 52.44 H new ATOM 0 HB3 HIS A 4 5.722 4.134 -19.909 1.00 52.44 H new ATOM 0 HD1 HIS A 4 5.071 5.124 -17.146 1.00 12.32 H new ATOM 0 HD2 HIS A 4 7.549 1.817 -17.808 1.00 2.11 H new ATOM 0 HE1 HIS A 4 6.511 4.753 -15.009 1.00 3.55 H new ATOM 63 N HIS A 5 4.053 0.350 -19.614 1.00 43.12 N ATOM 64 CA HIS A 5 3.820 -1.003 -19.127 1.00 72.10 C ATOM 65 C HIS A 5 4.959 -1.938 -19.522 1.00 11.24 C ATOM 66 O HIS A 5 5.303 -2.063 -20.698 1.00 60.15 O ATOM 67 CB HIS A 5 2.465 -1.544 -19.630 1.00 33.22 C ATOM 68 CG HIS A 5 2.343 -1.678 -21.124 1.00 44.43 C ATOM 69 ND1 HIS A 5 1.947 -0.648 -21.950 1.00 54.54 N ATOM 70 CD2 HIS A 5 2.561 -2.740 -21.938 1.00 70.24 C ATOM 71 CE1 HIS A 5 1.928 -1.068 -23.200 1.00 44.12 C ATOM 72 NE2 HIS A 5 2.298 -2.335 -23.224 1.00 52.11 N ATOM 0 H HIS A 5 4.318 0.408 -20.597 1.00 43.12 H new ATOM 0 HA HIS A 5 3.786 -0.962 -18.038 1.00 72.10 H new ATOM 0 HB2 HIS A 5 2.292 -2.521 -19.178 1.00 33.22 H new ATOM 0 HB3 HIS A 5 1.674 -0.884 -19.275 1.00 33.22 H new ATOM 0 HD2 HIS A 5 2.883 -3.724 -21.631 1.00 70.24 H new ATOM 0 HE1 HIS A 5 1.655 -0.475 -24.060 1.00 44.12 H new ATOM 0 HE2 HIS A 5 2.376 -2.916 -24.058 1.00 52.11 H new ATOM 81 N HIS A 6 5.559 -2.572 -18.529 1.00 22.14 N ATOM 82 CA HIS A 6 6.604 -3.562 -18.759 1.00 41.45 C ATOM 83 C HIS A 6 6.105 -4.942 -18.380 1.00 44.33 C ATOM 84 O HIS A 6 5.378 -5.105 -17.399 1.00 43.12 O ATOM 85 CB HIS A 6 7.867 -3.232 -17.957 1.00 21.34 C ATOM 86 CG HIS A 6 8.777 -2.252 -18.625 1.00 15.12 C ATOM 87 ND1 HIS A 6 10.101 -2.097 -18.272 1.00 75.03 N ATOM 88 CD2 HIS A 6 8.554 -1.377 -19.632 1.00 4.42 C ATOM 89 CE1 HIS A 6 10.652 -1.170 -19.032 1.00 72.10 C ATOM 90 NE2 HIS A 6 9.735 -0.721 -19.866 1.00 11.31 N ATOM 0 H HIS A 6 5.339 -2.418 -17.545 1.00 22.14 H new ATOM 0 HA HIS A 6 6.856 -3.544 -19.819 1.00 41.45 H new ATOM 0 HB2 HIS A 6 7.574 -2.835 -16.985 1.00 21.34 H new ATOM 0 HB3 HIS A 6 8.418 -4.154 -17.771 1.00 21.34 H new ATOM 0 HD2 HIS A 6 7.621 -1.224 -20.154 1.00 4.42 H new ATOM 0 HE1 HIS A 6 11.678 -0.836 -18.980 1.00 72.10 H new ATOM 0 HE2 HIS A 6 9.881 -0.000 -20.573 1.00 11.31 H new ATOM 99 N HIS A 7 6.486 -5.935 -19.159 1.00 12.23 N ATOM 100 CA HIS A 7 6.094 -7.301 -18.875 1.00 4.11 C ATOM 101 C HIS A 7 7.147 -7.988 -18.019 1.00 14.23 C ATOM 102 O HIS A 7 8.092 -8.584 -18.536 1.00 53.31 O ATOM 103 CB HIS A 7 5.861 -8.100 -20.163 1.00 14.12 C ATOM 104 CG HIS A 7 4.624 -7.705 -20.908 1.00 64.01 C ATOM 105 ND1 HIS A 7 3.421 -8.366 -20.773 1.00 42.22 N ATOM 106 CD2 HIS A 7 4.405 -6.720 -21.809 1.00 0.23 C ATOM 107 CE1 HIS A 7 2.522 -7.808 -21.558 1.00 21.22 C ATOM 108 NE2 HIS A 7 3.091 -6.805 -22.199 1.00 12.30 N ATOM 0 H HIS A 7 7.065 -5.822 -19.991 1.00 12.23 H new ATOM 0 HA HIS A 7 5.153 -7.266 -18.326 1.00 4.11 H new ATOM 0 HB2 HIS A 7 6.723 -7.974 -20.818 1.00 14.12 H new ATOM 0 HB3 HIS A 7 5.801 -9.160 -19.915 1.00 14.12 H new ATOM 0 HD2 HIS A 7 5.130 -5.999 -22.157 1.00 0.23 H new ATOM 0 HE1 HIS A 7 1.493 -8.119 -21.660 1.00 21.22 H new ATOM 0 HE2 HIS A 7 2.631 -6.193 -22.873 1.00 12.30 H new ATOM 117 N HIS A 8 7.007 -7.856 -16.708 1.00 24.21 N ATOM 118 CA HIS A 8 7.870 -8.580 -15.792 1.00 22.23 C ATOM 119 C HIS A 8 7.288 -9.970 -15.595 1.00 75.40 C ATOM 120 O HIS A 8 6.339 -10.156 -14.838 1.00 22.05 O ATOM 121 CB HIS A 8 8.007 -7.842 -14.454 1.00 52.43 C ATOM 122 CG HIS A 8 9.219 -8.246 -13.668 1.00 1.23 C ATOM 123 ND1 HIS A 8 9.324 -8.098 -12.300 1.00 74.01 N ATOM 124 CD2 HIS A 8 10.396 -8.778 -14.075 1.00 70.44 C ATOM 125 CE1 HIS A 8 10.513 -8.519 -11.906 1.00 30.34 C ATOM 126 NE2 HIS A 8 11.182 -8.938 -12.964 1.00 52.40 N ATOM 0 H HIS A 8 6.311 -7.260 -16.260 1.00 24.21 H new ATOM 0 HA HIS A 8 8.874 -8.654 -16.211 1.00 22.23 H new ATOM 0 HB2 HIS A 8 8.047 -6.769 -14.643 1.00 52.43 H new ATOM 0 HB3 HIS A 8 7.116 -8.027 -13.854 1.00 52.43 H new ATOM 0 HD2 HIS A 8 10.666 -9.030 -15.090 1.00 70.44 H new ATOM 0 HE1 HIS A 8 10.876 -8.520 -10.889 1.00 30.34 H new ATOM 0 HE2 HIS A 8 12.128 -9.318 -12.956 1.00 52.40 H new ATOM 135 N SER A 9 7.850 -10.929 -16.319 1.00 64.13 N ATOM 136 CA SER A 9 7.290 -12.268 -16.429 1.00 74.31 C ATOM 137 C SER A 9 7.165 -12.965 -15.077 1.00 4.31 C ATOM 138 O SER A 9 8.159 -13.330 -14.449 1.00 51.53 O ATOM 139 CB SER A 9 8.142 -13.100 -17.384 1.00 1.33 C ATOM 140 OG SER A 9 8.285 -12.434 -18.629 1.00 73.22 O ATOM 0 H SER A 9 8.712 -10.798 -16.849 1.00 64.13 H new ATOM 0 HA SER A 9 6.278 -12.172 -16.824 1.00 74.31 H new ATOM 0 HB2 SER A 9 9.124 -13.277 -16.945 1.00 1.33 H new ATOM 0 HB3 SER A 9 7.680 -14.075 -17.537 1.00 1.33 H new ATOM 0 HG SER A 9 8.835 -12.979 -19.230 1.00 73.22 H new ATOM 146 N HIS A 10 5.922 -13.118 -14.646 1.00 62.00 N ATOM 147 CA HIS A 10 5.581 -13.863 -13.444 1.00 14.43 C ATOM 148 C HIS A 10 4.077 -14.081 -13.407 1.00 33.35 C ATOM 149 O HIS A 10 3.336 -13.395 -14.117 1.00 42.21 O ATOM 150 CB HIS A 10 6.056 -13.147 -12.166 1.00 62.43 C ATOM 151 CG HIS A 10 5.575 -11.732 -12.005 1.00 61.55 C ATOM 152 ND1 HIS A 10 4.331 -11.194 -12.048 1.00 21.32 N flip ATOM 153 CD2 HIS A 10 6.428 -10.686 -11.737 1.00 12.20 C flip ATOM 154 CE1 HIS A 10 4.457 -9.848 -11.807 1.00 22.41 C flip ATOM 155 NE2 HIS A 10 5.735 -9.571 -11.621 1.00 13.34 N flip ATOM 0 H HIS A 10 5.113 -12.724 -15.126 1.00 62.00 H new ATOM 0 HA HIS A 10 6.095 -14.823 -13.476 1.00 14.43 H new ATOM 0 HB2 HIS A 10 5.728 -13.725 -11.302 1.00 62.43 H new ATOM 0 HB3 HIS A 10 7.146 -13.146 -12.154 1.00 62.43 H new ATOM 0 HD1 HIS A 10 3.462 -11.697 -12.227 1.00 21.32 H new ATOM 0 HD2 HIS A 10 7.500 -10.766 -11.637 1.00 12.20 H new ATOM 0 HE1 HIS A 10 3.646 -9.135 -11.775 1.00 22.41 H new ATOM 164 N GLY A 11 3.635 -15.022 -12.594 1.00 41.04 N ATOM 165 CA GLY A 11 2.218 -15.298 -12.488 1.00 22.33 C ATOM 166 C GLY A 11 1.498 -14.282 -11.626 1.00 60.54 C ATOM 167 O GLY A 11 2.079 -13.262 -11.236 1.00 53.11 O ATOM 0 H GLY A 11 4.231 -15.602 -12.004 1.00 41.04 H new ATOM 0 HA2 GLY A 11 1.776 -15.305 -13.484 1.00 22.33 H new ATOM 0 HA3 GLY A 11 2.074 -16.294 -12.069 1.00 22.33 H new ATOM 171 N ASP A 12 0.239 -14.549 -11.324 1.00 53.11 N ATOM 172 CA ASP A 12 -0.541 -13.652 -10.488 1.00 62.11 C ATOM 173 C ASP A 12 -0.174 -13.844 -9.024 1.00 72.42 C ATOM 174 O ASP A 12 -0.820 -14.598 -8.294 1.00 51.21 O ATOM 175 CB ASP A 12 -2.042 -13.856 -10.690 1.00 15.33 C ATOM 176 CG ASP A 12 -2.867 -12.933 -9.815 1.00 21.12 C ATOM 177 OD1 ASP A 12 -2.756 -11.698 -9.973 1.00 52.43 O ATOM 178 OD2 ASP A 12 -3.616 -13.438 -8.956 1.00 60.02 O ATOM 0 H ASP A 12 -0.264 -15.377 -11.644 1.00 53.11 H new ATOM 0 HA ASP A 12 -0.303 -12.631 -10.785 1.00 62.11 H new ATOM 0 HB2 ASP A 12 -2.293 -13.683 -11.736 1.00 15.33 H new ATOM 0 HB3 ASP A 12 -2.300 -14.891 -10.468 1.00 15.33 H new ATOM 183 N ASP A 13 0.902 -13.192 -8.621 1.00 60.33 N ATOM 184 CA ASP A 13 1.348 -13.217 -7.241 1.00 11.14 C ATOM 185 C ASP A 13 1.594 -11.795 -6.771 1.00 44.13 C ATOM 186 O ASP A 13 2.660 -11.223 -7.015 1.00 33.31 O ATOM 187 CB ASP A 13 2.618 -14.066 -7.095 1.00 71.45 C ATOM 188 CG ASP A 13 3.102 -14.159 -5.659 1.00 34.23 C ATOM 189 OD1 ASP A 13 2.330 -14.631 -4.800 1.00 34.31 O ATOM 190 OD2 ASP A 13 4.263 -13.776 -5.388 1.00 71.53 O ATOM 0 H ASP A 13 1.489 -12.632 -9.239 1.00 60.33 H new ATOM 0 HA ASP A 13 0.575 -13.671 -6.621 1.00 11.14 H new ATOM 0 HB2 ASP A 13 2.424 -15.069 -7.474 1.00 71.45 H new ATOM 0 HB3 ASP A 13 3.408 -13.639 -7.713 1.00 71.45 H new ATOM 195 N SER A 14 0.574 -11.207 -6.162 1.00 35.35 N ATOM 196 CA SER A 14 0.637 -9.834 -5.678 1.00 15.54 C ATOM 197 C SER A 14 -0.433 -9.594 -4.616 1.00 4.50 C ATOM 198 O SER A 14 -1.527 -10.151 -4.693 1.00 52.35 O ATOM 199 CB SER A 14 0.449 -8.850 -6.837 1.00 3.23 C ATOM 200 OG SER A 14 1.498 -8.974 -7.783 1.00 41.23 O ATOM 0 H SER A 14 -0.320 -11.667 -5.989 1.00 35.35 H new ATOM 0 HA SER A 14 1.619 -9.672 -5.233 1.00 15.54 H new ATOM 0 HB2 SER A 14 -0.509 -9.035 -7.324 1.00 3.23 H new ATOM 0 HB3 SER A 14 0.420 -7.831 -6.452 1.00 3.23 H new ATOM 0 HG SER A 14 2.171 -9.600 -7.445 1.00 41.23 H new ATOM 206 N VAL A 15 -0.111 -8.766 -3.632 1.00 41.23 N ATOM 207 CA VAL A 15 -1.050 -8.452 -2.565 1.00 51.21 C ATOM 208 C VAL A 15 -1.854 -7.203 -2.911 1.00 72.33 C ATOM 209 O VAL A 15 -1.302 -6.210 -3.386 1.00 44.53 O ATOM 210 CB VAL A 15 -0.336 -8.259 -1.209 1.00 54.15 C ATOM 211 CG1 VAL A 15 0.275 -9.569 -0.744 1.00 71.35 C ATOM 212 CG2 VAL A 15 0.735 -7.180 -1.300 1.00 52.14 C ATOM 0 H VAL A 15 0.793 -8.300 -3.551 1.00 41.23 H new ATOM 0 HA VAL A 15 -1.727 -9.301 -2.469 1.00 51.21 H new ATOM 0 HB VAL A 15 -1.079 -7.936 -0.480 1.00 54.15 H new ATOM 0 HG11 VAL A 15 0.775 -9.418 0.213 1.00 71.35 H new ATOM 0 HG12 VAL A 15 -0.510 -10.316 -0.629 1.00 71.35 H new ATOM 0 HG13 VAL A 15 1.000 -9.914 -1.481 1.00 71.35 H new ATOM 0 HG21 VAL A 15 1.220 -7.066 -0.331 1.00 52.14 H new ATOM 0 HG22 VAL A 15 1.477 -7.466 -2.046 1.00 52.14 H new ATOM 0 HG23 VAL A 15 0.275 -6.235 -1.589 1.00 52.14 H new ATOM 222 N HIS A 16 -3.157 -7.258 -2.675 1.00 33.31 N ATOM 223 CA HIS A 16 -4.055 -6.178 -3.060 1.00 2.11 C ATOM 224 C HIS A 16 -3.972 -5.012 -2.085 1.00 52.31 C ATOM 225 O HIS A 16 -4.768 -4.910 -1.148 1.00 61.32 O ATOM 226 CB HIS A 16 -5.501 -6.670 -3.148 1.00 32.50 C ATOM 227 CG HIS A 16 -5.725 -7.708 -4.205 1.00 43.44 C ATOM 228 ND1 HIS A 16 -6.052 -9.016 -3.919 1.00 3.03 N ATOM 229 CD2 HIS A 16 -5.674 -7.621 -5.555 1.00 25.14 C ATOM 230 CE1 HIS A 16 -6.192 -9.690 -5.047 1.00 63.32 C ATOM 231 NE2 HIS A 16 -5.968 -8.865 -6.053 1.00 41.45 N ATOM 0 H HIS A 16 -3.618 -8.044 -2.216 1.00 33.31 H new ATOM 0 HA HIS A 16 -3.737 -5.833 -4.044 1.00 2.11 H new ATOM 0 HB2 HIS A 16 -5.795 -7.080 -2.182 1.00 32.50 H new ATOM 0 HB3 HIS A 16 -6.153 -5.819 -3.344 1.00 32.50 H new ATOM 0 HD1 HIS A 16 -6.168 -9.403 -2.983 1.00 3.03 H new ATOM 0 HD2 HIS A 16 -5.445 -6.737 -6.132 1.00 25.14 H new ATOM 0 HE1 HIS A 16 -6.446 -10.736 -5.131 1.00 63.32 H new ATOM 240 N LEU A 17 -2.995 -4.152 -2.291 1.00 20.30 N ATOM 241 CA LEU A 17 -2.857 -2.952 -1.488 1.00 14.53 C ATOM 242 C LEU A 17 -3.795 -1.871 -2.008 1.00 64.25 C ATOM 243 O LEU A 17 -3.582 -1.314 -3.084 1.00 42.03 O ATOM 244 CB LEU A 17 -1.409 -2.457 -1.504 1.00 50.33 C ATOM 245 CG LEU A 17 -0.380 -3.443 -0.948 1.00 51.01 C ATOM 246 CD1 LEU A 17 1.025 -2.874 -1.061 1.00 4.01 C ATOM 247 CD2 LEU A 17 -0.692 -3.783 0.499 1.00 4.33 C ATOM 0 H LEU A 17 -2.281 -4.262 -3.011 1.00 20.30 H new ATOM 0 HA LEU A 17 -3.124 -3.186 -0.458 1.00 14.53 H new ATOM 0 HB2 LEU A 17 -1.137 -2.212 -2.531 1.00 50.33 H new ATOM 0 HB3 LEU A 17 -1.351 -1.533 -0.929 1.00 50.33 H new ATOM 0 HG LEU A 17 -0.433 -4.357 -1.540 1.00 51.01 H new ATOM 0 HD11 LEU A 17 1.741 -3.591 -0.660 1.00 4.01 H new ATOM 0 HD12 LEU A 17 1.255 -2.678 -2.108 1.00 4.01 H new ATOM 0 HD13 LEU A 17 1.087 -1.944 -0.496 1.00 4.01 H new ATOM 0 HD21 LEU A 17 0.051 -4.486 0.876 1.00 4.33 H new ATOM 0 HD22 LEU A 17 -0.669 -2.874 1.099 1.00 4.33 H new ATOM 0 HD23 LEU A 17 -1.682 -4.234 0.561 1.00 4.33 H new ATOM 259 N HIS A 18 -4.851 -1.601 -1.259 1.00 40.24 N ATOM 260 CA HIS A 18 -5.821 -0.598 -1.666 1.00 61.11 C ATOM 261 C HIS A 18 -5.458 0.761 -1.105 1.00 74.43 C ATOM 262 O HIS A 18 -5.483 0.972 0.110 1.00 64.01 O ATOM 263 CB HIS A 18 -7.236 -0.988 -1.237 1.00 65.23 C ATOM 264 CG HIS A 18 -7.870 -2.003 -2.136 1.00 53.24 C ATOM 265 ND1 HIS A 18 -8.776 -1.668 -3.119 1.00 73.50 N ATOM 266 CD2 HIS A 18 -7.725 -3.349 -2.202 1.00 72.42 C ATOM 267 CE1 HIS A 18 -9.161 -2.763 -3.750 1.00 41.02 C ATOM 268 NE2 HIS A 18 -8.539 -3.792 -3.214 1.00 54.01 N ATOM 0 H HIS A 18 -5.058 -2.059 -0.371 1.00 40.24 H new ATOM 0 HA HIS A 18 -5.800 -0.542 -2.754 1.00 61.11 H new ATOM 0 HB2 HIS A 18 -7.204 -1.382 -0.221 1.00 65.23 H new ATOM 0 HB3 HIS A 18 -7.860 -0.095 -1.213 1.00 65.23 H new ATOM 0 HD2 HIS A 18 -7.089 -3.958 -1.576 1.00 72.42 H new ATOM 0 HE1 HIS A 18 -9.866 -2.807 -4.567 1.00 41.02 H new ATOM 0 HE2 HIS A 18 -8.645 -4.764 -3.505 1.00 54.01 H new ATOM 277 N ILE A 19 -5.111 1.673 -1.997 1.00 21.32 N ATOM 278 CA ILE A 19 -4.752 3.025 -1.613 1.00 24.42 C ATOM 279 C ILE A 19 -6.003 3.800 -1.233 1.00 24.30 C ATOM 280 O ILE A 19 -6.868 4.041 -2.073 1.00 13.41 O ATOM 281 CB ILE A 19 -4.027 3.763 -2.761 1.00 12.54 C ATOM 282 CG1 ILE A 19 -2.843 2.936 -3.283 1.00 52.03 C ATOM 283 CG2 ILE A 19 -3.556 5.138 -2.306 1.00 1.41 C ATOM 284 CD1 ILE A 19 -1.782 2.652 -2.239 1.00 30.50 C ATOM 0 H ILE A 19 -5.071 1.498 -3.001 1.00 21.32 H new ATOM 0 HA ILE A 19 -4.075 2.963 -0.761 1.00 24.42 H new ATOM 0 HB ILE A 19 -4.738 3.895 -3.577 1.00 12.54 H new ATOM 0 HG12 ILE A 19 -3.218 1.989 -3.672 1.00 52.03 H new ATOM 0 HG13 ILE A 19 -2.384 3.465 -4.118 1.00 52.03 H new ATOM 0 HG21 ILE A 19 -3.048 5.640 -3.130 1.00 1.41 H new ATOM 0 HG22 ILE A 19 -4.415 5.732 -1.993 1.00 1.41 H new ATOM 0 HG23 ILE A 19 -2.867 5.028 -1.469 1.00 1.41 H new ATOM 0 HD11 ILE A 19 -0.980 2.064 -2.686 1.00 30.50 H new ATOM 0 HD12 ILE A 19 -1.377 3.593 -1.866 1.00 30.50 H new ATOM 0 HD13 ILE A 19 -2.224 2.095 -1.413 1.00 30.50 H new ATOM 296 N THR A 20 -6.115 4.158 0.033 1.00 52.13 N ATOM 297 CA THR A 20 -7.270 4.895 0.509 1.00 51.42 C ATOM 298 C THR A 20 -6.853 6.250 1.070 1.00 15.14 C ATOM 299 O THR A 20 -6.144 6.327 2.074 1.00 22.32 O ATOM 300 CB THR A 20 -8.020 4.098 1.592 1.00 32.24 C ATOM 301 OG1 THR A 20 -8.209 2.748 1.148 1.00 43.40 O ATOM 302 CG2 THR A 20 -9.370 4.733 1.896 1.00 12.33 C ATOM 0 H THR A 20 -5.420 3.950 0.750 1.00 52.13 H new ATOM 0 HA THR A 20 -7.936 5.052 -0.340 1.00 51.42 H new ATOM 0 HB THR A 20 -7.424 4.106 2.505 1.00 32.24 H new ATOM 0 HG1 THR A 20 -8.685 2.240 1.838 1.00 43.40 H new ATOM 0 HG21 THR A 20 -9.881 4.152 2.664 1.00 12.33 H new ATOM 0 HG22 THR A 20 -9.221 5.752 2.252 1.00 12.33 H new ATOM 0 HG23 THR A 20 -9.976 4.750 0.990 1.00 12.33 H new ATOM 310 N HIS A 21 -7.272 7.314 0.401 1.00 31.05 N ATOM 311 CA HIS A 21 -7.004 8.667 0.876 1.00 21.45 C ATOM 312 C HIS A 21 -8.049 9.085 1.897 1.00 24.42 C ATOM 313 O HIS A 21 -9.116 8.480 1.987 1.00 55.44 O ATOM 314 CB HIS A 21 -6.994 9.663 -0.289 1.00 73.13 C ATOM 315 CG HIS A 21 -5.625 9.990 -0.802 1.00 50.33 C ATOM 316 ND1 HIS A 21 -4.885 11.042 -0.321 1.00 50.44 N ATOM 317 CD2 HIS A 21 -4.873 9.415 -1.771 1.00 11.14 C ATOM 318 CE1 HIS A 21 -3.740 11.108 -0.968 1.00 24.02 C ATOM 319 NE2 HIS A 21 -3.702 10.132 -1.856 1.00 50.43 N ATOM 0 H HIS A 21 -7.798 7.269 -0.471 1.00 31.05 H new ATOM 0 HA HIS A 21 -6.021 8.670 1.346 1.00 21.45 H new ATOM 0 HB2 HIS A 21 -7.589 9.256 -1.106 1.00 73.13 H new ATOM 0 HB3 HIS A 21 -7.480 10.585 0.031 1.00 73.13 H new ATOM 0 HD1 HIS A 21 -5.177 11.675 0.423 1.00 50.44 H new ATOM 0 HD2 HIS A 21 -5.142 8.555 -2.366 1.00 11.14 H new ATOM 0 HE1 HIS A 21 -2.962 11.838 -0.800 1.00 24.02 H new ATOM 328 N ALA A 22 -7.738 10.115 2.666 1.00 23.23 N ATOM 329 CA ALA A 22 -8.672 10.633 3.650 1.00 44.21 C ATOM 330 C ALA A 22 -9.435 11.817 3.074 1.00 32.32 C ATOM 331 O ALA A 22 -10.624 11.994 3.340 1.00 30.21 O ATOM 332 CB ALA A 22 -7.939 11.041 4.920 1.00 32.54 C ATOM 0 H ALA A 22 -6.846 10.608 2.628 1.00 23.23 H new ATOM 0 HA ALA A 22 -9.383 9.847 3.903 1.00 44.21 H new ATOM 0 HB1 ALA A 22 -8.655 11.427 5.646 1.00 32.54 H new ATOM 0 HB2 ALA A 22 -7.428 10.174 5.340 1.00 32.54 H new ATOM 0 HB3 ALA A 22 -7.208 11.815 4.686 1.00 32.54 H new ATOM 338 N ASN A 23 -8.742 12.616 2.274 1.00 2.41 N ATOM 339 CA ASN A 23 -9.341 13.789 1.646 1.00 54.04 C ATOM 340 C ASN A 23 -10.307 13.359 0.548 1.00 72.41 C ATOM 341 O ASN A 23 -11.458 13.796 0.507 1.00 61.42 O ATOM 342 CB ASN A 23 -8.250 14.690 1.058 1.00 20.33 C ATOM 343 CG ASN A 23 -8.784 16.034 0.590 1.00 50.10 C ATOM 344 OD1 ASN A 23 -9.772 16.564 1.294 1.00 72.22 O flip ATOM 345 ND2 ASN A 23 -8.297 16.599 -0.388 1.00 43.45 N flip ATOM 0 H ASN A 23 -7.759 12.473 2.043 1.00 2.41 H new ATOM 0 HA ASN A 23 -9.890 14.349 2.403 1.00 54.04 H new ATOM 0 HB2 ASN A 23 -7.476 14.853 1.808 1.00 20.33 H new ATOM 0 HB3 ASN A 23 -7.777 14.180 0.219 1.00 20.33 H new ATOM 0 HD21 ASN A 23 -7.536 16.158 -0.905 1.00 43.45 H new ATOM 0 HD22 ASN A 23 -8.654 17.508 -0.682 1.00 43.45 H new ATOM 352 N LEU A 24 -9.829 12.487 -0.328 1.00 4.14 N ATOM 353 CA LEU A 24 -10.634 11.979 -1.428 1.00 50.13 C ATOM 354 C LEU A 24 -11.538 10.855 -0.932 1.00 32.21 C ATOM 355 O LEU A 24 -11.070 9.753 -0.651 1.00 53.30 O ATOM 356 CB LEU A 24 -9.748 11.468 -2.577 1.00 32.52 C ATOM 357 CG LEU A 24 -8.891 12.526 -3.289 1.00 25.40 C ATOM 358 CD1 LEU A 24 -7.697 12.935 -2.437 1.00 72.41 C ATOM 359 CD2 LEU A 24 -8.425 12.007 -4.638 1.00 22.53 C ATOM 0 H LEU A 24 -8.880 12.115 -0.297 1.00 4.14 H new ATOM 0 HA LEU A 24 -11.245 12.798 -1.808 1.00 50.13 H new ATOM 0 HB2 LEU A 24 -9.085 10.697 -2.183 1.00 32.52 H new ATOM 0 HB3 LEU A 24 -10.388 10.989 -3.318 1.00 32.52 H new ATOM 0 HG LEU A 24 -9.510 13.410 -3.445 1.00 25.40 H new ATOM 0 HD11 LEU A 24 -7.111 13.684 -2.968 1.00 72.41 H new ATOM 0 HD12 LEU A 24 -8.049 13.352 -1.493 1.00 72.41 H new ATOM 0 HD13 LEU A 24 -7.076 12.062 -2.238 1.00 72.41 H new ATOM 0 HD21 LEU A 24 -7.819 12.767 -5.131 1.00 22.53 H new ATOM 0 HD22 LEU A 24 -7.830 11.105 -4.495 1.00 22.53 H new ATOM 0 HD23 LEU A 24 -9.291 11.776 -5.258 1.00 22.53 H new ATOM 371 N LYS A 25 -12.829 11.145 -0.819 1.00 54.33 N ATOM 372 CA LYS A 25 -13.791 10.181 -0.294 1.00 24.21 C ATOM 373 C LYS A 25 -13.993 9.009 -1.256 1.00 65.50 C ATOM 374 O LYS A 25 -14.220 7.877 -0.827 1.00 51.12 O ATOM 375 CB LYS A 25 -15.133 10.860 0.001 1.00 72.15 C ATOM 376 CG LYS A 25 -15.705 11.637 -1.173 1.00 1.00 C ATOM 377 CD LYS A 25 -17.101 12.153 -0.874 1.00 70.25 C ATOM 378 CE LYS A 25 -17.607 13.061 -1.983 1.00 41.44 C ATOM 379 NZ LYS A 25 -19.016 13.474 -1.767 1.00 64.20 N ATOM 0 H LYS A 25 -13.235 12.042 -1.084 1.00 54.33 H new ATOM 0 HA LYS A 25 -13.383 9.787 0.637 1.00 24.21 H new ATOM 0 HB2 LYS A 25 -15.853 10.101 0.306 1.00 72.15 H new ATOM 0 HB3 LYS A 25 -15.007 11.538 0.845 1.00 72.15 H new ATOM 0 HG2 LYS A 25 -15.049 12.475 -1.409 1.00 1.00 H new ATOM 0 HG3 LYS A 25 -15.734 10.997 -2.055 1.00 1.00 H new ATOM 0 HD2 LYS A 25 -17.783 11.311 -0.751 1.00 70.25 H new ATOM 0 HD3 LYS A 25 -17.094 12.698 0.070 1.00 70.25 H new ATOM 0 HE2 LYS A 25 -16.975 13.947 -2.042 1.00 41.44 H new ATOM 0 HE3 LYS A 25 -17.523 12.545 -2.940 1.00 41.44 H new ATOM 0 HZ1 LYS A 25 -19.320 14.092 -2.546 1.00 64.20 H new ATOM 0 HZ2 LYS A 25 -19.624 12.631 -1.736 1.00 64.20 H new ATOM 0 HZ3 LYS A 25 -19.093 13.989 -0.867 1.00 64.20 H new ATOM 393 N SER A 26 -13.912 9.276 -2.549 1.00 50.24 N ATOM 394 CA SER A 26 -14.074 8.231 -3.543 1.00 1.45 C ATOM 395 C SER A 26 -12.754 7.994 -4.266 1.00 34.14 C ATOM 396 O SER A 26 -12.465 8.624 -5.283 1.00 12.31 O ATOM 397 CB SER A 26 -15.175 8.600 -4.541 1.00 54.30 C ATOM 398 OG SER A 26 -15.506 7.494 -5.370 1.00 75.40 O ATOM 0 H SER A 26 -13.736 10.204 -2.933 1.00 50.24 H new ATOM 0 HA SER A 26 -14.370 7.311 -3.039 1.00 1.45 H new ATOM 0 HB2 SER A 26 -16.062 8.933 -4.002 1.00 54.30 H new ATOM 0 HB3 SER A 26 -14.845 9.435 -5.159 1.00 54.30 H new ATOM 0 HG SER A 26 -16.212 7.755 -5.997 1.00 75.40 H new ATOM 404 N PHE A 27 -11.941 7.107 -3.717 1.00 41.03 N ATOM 405 CA PHE A 27 -10.648 6.803 -4.301 1.00 43.14 C ATOM 406 C PHE A 27 -10.433 5.295 -4.334 1.00 11.53 C ATOM 407 O PHE A 27 -9.888 4.711 -3.399 1.00 72.22 O ATOM 408 CB PHE A 27 -9.531 7.499 -3.512 1.00 32.45 C ATOM 409 CG PHE A 27 -8.204 7.509 -4.215 1.00 74.20 C ATOM 410 CD1 PHE A 27 -8.023 8.272 -5.357 1.00 23.23 C ATOM 411 CD2 PHE A 27 -7.139 6.765 -3.735 1.00 44.24 C ATOM 412 CE1 PHE A 27 -6.805 8.292 -6.005 1.00 73.44 C ATOM 413 CE2 PHE A 27 -5.920 6.782 -4.379 1.00 14.11 C ATOM 414 CZ PHE A 27 -5.751 7.546 -5.516 1.00 14.32 C ATOM 0 H PHE A 27 -12.155 6.585 -2.867 1.00 41.03 H new ATOM 0 HA PHE A 27 -10.623 7.177 -5.325 1.00 43.14 H new ATOM 0 HB2 PHE A 27 -9.830 8.527 -3.308 1.00 32.45 H new ATOM 0 HB3 PHE A 27 -9.417 7.003 -2.548 1.00 32.45 H new ATOM 0 HD1 PHE A 27 -8.844 8.857 -5.744 1.00 23.23 H new ATOM 0 HD2 PHE A 27 -7.265 6.165 -2.846 1.00 44.24 H new ATOM 0 HE1 PHE A 27 -6.676 8.891 -6.894 1.00 73.44 H new ATOM 0 HE2 PHE A 27 -5.098 6.198 -3.994 1.00 14.11 H new ATOM 0 HZ PHE A 27 -4.797 7.560 -6.022 1.00 14.32 H new ATOM 424 N SER A 28 -10.906 4.670 -5.401 1.00 51.32 N ATOM 425 CA SER A 28 -10.755 3.237 -5.575 1.00 43.20 C ATOM 426 C SER A 28 -9.499 2.937 -6.382 1.00 63.51 C ATOM 427 O SER A 28 -9.494 3.046 -7.610 1.00 5.34 O ATOM 428 CB SER A 28 -11.984 2.658 -6.273 1.00 24.44 C ATOM 429 OG SER A 28 -13.173 2.971 -5.561 1.00 44.14 O ATOM 0 H SER A 28 -11.400 5.137 -6.162 1.00 51.32 H new ATOM 0 HA SER A 28 -10.660 2.772 -4.594 1.00 43.20 H new ATOM 0 HB2 SER A 28 -12.049 3.052 -7.287 1.00 24.44 H new ATOM 0 HB3 SER A 28 -11.882 1.576 -6.358 1.00 24.44 H new ATOM 0 HG SER A 28 -13.945 2.590 -6.030 1.00 44.14 H new ATOM 435 N ALA A 29 -8.432 2.581 -5.688 1.00 73.23 N ATOM 436 CA ALA A 29 -7.158 2.333 -6.338 1.00 24.21 C ATOM 437 C ALA A 29 -6.524 1.050 -5.830 1.00 53.33 C ATOM 438 O ALA A 29 -6.032 0.987 -4.701 1.00 63.42 O ATOM 439 CB ALA A 29 -6.217 3.512 -6.128 1.00 23.35 C ATOM 0 H ALA A 29 -8.423 2.457 -4.676 1.00 73.23 H new ATOM 0 HA ALA A 29 -7.341 2.217 -7.406 1.00 24.21 H new ATOM 0 HB1 ALA A 29 -5.266 3.311 -6.621 1.00 23.35 H new ATOM 0 HB2 ALA A 29 -6.662 4.413 -6.551 1.00 23.35 H new ATOM 0 HB3 ALA A 29 -6.049 3.658 -5.061 1.00 23.35 H new ATOM 445 N ASP A 30 -6.562 0.019 -6.661 1.00 5.22 N ATOM 446 CA ASP A 30 -5.895 -1.238 -6.352 1.00 71.44 C ATOM 447 C ASP A 30 -4.458 -1.180 -6.839 1.00 10.21 C ATOM 448 O ASP A 30 -4.204 -1.033 -8.036 1.00 12.23 O ATOM 449 CB ASP A 30 -6.619 -2.421 -7.008 1.00 43.33 C ATOM 450 CG ASP A 30 -5.976 -3.761 -6.682 1.00 32.50 C ATOM 451 OD1 ASP A 30 -6.324 -4.347 -5.635 1.00 0.01 O ATOM 452 OD2 ASP A 30 -5.135 -4.238 -7.476 1.00 33.31 O ATOM 0 H ASP A 30 -7.049 0.028 -7.557 1.00 5.22 H new ATOM 0 HA ASP A 30 -5.914 -1.385 -5.272 1.00 71.44 H new ATOM 0 HB2 ASP A 30 -7.658 -2.432 -6.679 1.00 43.33 H new ATOM 0 HB3 ASP A 30 -6.628 -2.281 -8.089 1.00 43.33 H new ATOM 457 N ALA A 31 -3.521 -1.251 -5.911 1.00 33.30 N ATOM 458 CA ALA A 31 -2.112 -1.277 -6.253 1.00 45.13 C ATOM 459 C ALA A 31 -1.486 -2.553 -5.723 1.00 1.43 C ATOM 460 O ALA A 31 -0.852 -2.562 -4.670 1.00 71.10 O ATOM 461 CB ALA A 31 -1.400 -0.045 -5.706 1.00 13.12 C ATOM 0 H ALA A 31 -3.713 -1.292 -4.910 1.00 33.30 H new ATOM 0 HA ALA A 31 -2.006 -1.260 -7.338 1.00 45.13 H new ATOM 0 HB1 ALA A 31 -0.344 -0.086 -5.974 1.00 13.12 H new ATOM 0 HB2 ALA A 31 -1.848 0.853 -6.131 1.00 13.12 H new ATOM 0 HB3 ALA A 31 -1.498 -0.020 -4.621 1.00 13.12 H new ATOM 467 N ARG A 32 -1.707 -3.644 -6.434 1.00 45.52 N ATOM 468 CA ARG A 32 -1.202 -4.933 -6.002 1.00 5.25 C ATOM 469 C ARG A 32 0.258 -5.102 -6.398 1.00 22.51 C ATOM 470 O ARG A 32 0.594 -5.233 -7.576 1.00 24.53 O ATOM 471 CB ARG A 32 -2.071 -6.074 -6.546 1.00 71.11 C ATOM 472 CG ARG A 32 -2.233 -6.075 -8.053 1.00 14.13 C ATOM 473 CD ARG A 32 -3.308 -7.053 -8.482 1.00 4.30 C ATOM 474 NE ARG A 32 -3.532 -7.034 -9.924 1.00 54.23 N ATOM 475 CZ ARG A 32 -4.599 -6.481 -10.505 1.00 30.21 C ATOM 476 NH1 ARG A 32 -5.488 -5.806 -9.786 1.00 14.44 N ATOM 477 NH2 ARG A 32 -4.752 -6.570 -11.817 1.00 53.05 N ATOM 0 H ARG A 32 -2.231 -3.663 -7.309 1.00 45.52 H new ATOM 0 HA ARG A 32 -1.255 -4.973 -4.914 1.00 5.25 H new ATOM 0 HB2 ARG A 32 -1.635 -7.025 -6.239 1.00 71.11 H new ATOM 0 HB3 ARG A 32 -3.058 -6.013 -6.087 1.00 71.11 H new ATOM 0 HG2 ARG A 32 -2.490 -5.073 -8.396 1.00 14.13 H new ATOM 0 HG3 ARG A 32 -1.286 -6.340 -8.524 1.00 14.13 H new ATOM 0 HD2 ARG A 32 -3.024 -8.059 -8.174 1.00 4.30 H new ATOM 0 HD3 ARG A 32 -4.239 -6.814 -7.969 1.00 4.30 H new ATOM 0 HE ARG A 32 -2.831 -7.469 -10.524 1.00 54.23 H new ATOM 0 HH11 ARG A 32 -5.359 -5.706 -8.779 1.00 14.44 H new ATOM 0 HH12 ARG A 32 -6.300 -5.388 -10.241 1.00 14.44 H new ATOM 0 HH21 ARG A 32 -4.056 -7.060 -12.380 1.00 53.05 H new ATOM 0 HH22 ARG A 32 -5.566 -6.149 -12.265 1.00 53.05 H new ATOM 491 N PHE A 33 1.123 -5.055 -5.399 1.00 42.43 N ATOM 492 CA PHE A 33 2.548 -5.247 -5.603 1.00 75.41 C ATOM 493 C PHE A 33 2.927 -6.684 -5.293 1.00 24.41 C ATOM 494 O PHE A 33 2.232 -7.369 -4.539 1.00 40.35 O ATOM 495 CB PHE A 33 3.360 -4.298 -4.719 1.00 62.22 C ATOM 496 CG PHE A 33 3.217 -2.849 -5.084 1.00 44.31 C ATOM 497 CD1 PHE A 33 3.988 -2.301 -6.097 1.00 72.55 C ATOM 498 CD2 PHE A 33 2.320 -2.032 -4.414 1.00 2.45 C ATOM 499 CE1 PHE A 33 3.866 -0.967 -6.435 1.00 65.51 C ATOM 500 CE2 PHE A 33 2.193 -0.698 -4.746 1.00 41.03 C ATOM 501 CZ PHE A 33 2.967 -0.164 -5.760 1.00 24.35 C ATOM 0 H PHE A 33 0.859 -4.884 -4.429 1.00 42.43 H new ATOM 0 HA PHE A 33 2.775 -5.027 -6.646 1.00 75.41 H new ATOM 0 HB2 PHE A 33 3.053 -4.433 -3.682 1.00 62.22 H new ATOM 0 HB3 PHE A 33 4.413 -4.575 -4.778 1.00 62.22 H new ATOM 0 HD1 PHE A 33 4.692 -2.924 -6.628 1.00 72.55 H new ATOM 0 HD2 PHE A 33 1.713 -2.444 -3.622 1.00 2.45 H new ATOM 0 HE1 PHE A 33 4.473 -0.552 -7.226 1.00 65.51 H new ATOM 0 HE2 PHE A 33 1.491 -0.073 -4.215 1.00 41.03 H new ATOM 0 HZ PHE A 33 2.869 0.879 -6.024 1.00 24.35 H new ATOM 511 N SER A 34 4.022 -7.135 -5.880 1.00 53.01 N ATOM 512 CA SER A 34 4.515 -8.479 -5.655 1.00 45.41 C ATOM 513 C SER A 34 4.887 -8.672 -4.182 1.00 61.02 C ATOM 514 O SER A 34 5.583 -7.838 -3.595 1.00 35.33 O ATOM 515 CB SER A 34 5.723 -8.728 -6.555 1.00 42.25 C ATOM 516 OG SER A 34 5.415 -8.411 -7.906 1.00 44.51 O ATOM 0 H SER A 34 4.590 -6.582 -6.522 1.00 53.01 H new ATOM 0 HA SER A 34 3.733 -9.198 -5.900 1.00 45.41 H new ATOM 0 HB2 SER A 34 6.565 -8.124 -6.217 1.00 42.25 H new ATOM 0 HB3 SER A 34 6.029 -9.772 -6.481 1.00 42.25 H new ATOM 0 HG SER A 34 6.201 -8.575 -8.468 1.00 44.51 H new ATOM 522 N PRO A 35 4.431 -9.772 -3.559 1.00 13.15 N ATOM 523 CA PRO A 35 4.661 -10.025 -2.144 1.00 14.43 C ATOM 524 C PRO A 35 6.076 -10.504 -1.880 1.00 34.32 C ATOM 525 O PRO A 35 6.294 -11.642 -1.474 1.00 31.25 O ATOM 526 CB PRO A 35 3.649 -11.117 -1.777 1.00 2.32 C ATOM 527 CG PRO A 35 2.930 -11.477 -3.037 1.00 34.33 C ATOM 528 CD PRO A 35 3.683 -10.860 -4.181 1.00 12.03 C ATOM 0 HA PRO A 35 4.539 -9.119 -1.551 1.00 14.43 H new ATOM 0 HB2 PRO A 35 4.154 -11.987 -1.357 1.00 2.32 H new ATOM 0 HB3 PRO A 35 2.950 -10.759 -1.021 1.00 2.32 H new ATOM 0 HG2 PRO A 35 2.878 -12.560 -3.152 1.00 34.33 H new ATOM 0 HG3 PRO A 35 1.904 -11.109 -3.011 1.00 34.33 H new ATOM 0 HD2 PRO A 35 4.347 -11.581 -4.658 1.00 12.03 H new ATOM 0 HD3 PRO A 35 3.007 -10.491 -4.952 1.00 12.03 H new ATOM 536 N GLN A 36 7.034 -9.643 -2.167 1.00 51.33 N ATOM 537 CA GLN A 36 8.423 -9.905 -1.846 1.00 74.25 C ATOM 538 C GLN A 36 9.195 -8.592 -1.841 1.00 34.00 C ATOM 539 O GLN A 36 10.422 -8.568 -1.899 1.00 35.14 O ATOM 540 CB GLN A 36 9.034 -10.884 -2.853 1.00 14.33 C ATOM 541 CG GLN A 36 10.041 -11.827 -2.228 1.00 4.24 C ATOM 542 CD GLN A 36 10.707 -12.733 -3.240 1.00 24.22 C ATOM 543 OE1 GLN A 36 11.735 -12.385 -3.817 1.00 71.21 O ATOM 544 NE2 GLN A 36 10.133 -13.908 -3.457 1.00 73.54 N ATOM 0 H GLN A 36 6.872 -8.747 -2.627 1.00 51.33 H new ATOM 0 HA GLN A 36 8.482 -10.361 -0.858 1.00 74.25 H new ATOM 0 HB2 GLN A 36 8.237 -11.467 -3.314 1.00 14.33 H new ATOM 0 HB3 GLN A 36 9.519 -10.321 -3.650 1.00 14.33 H new ATOM 0 HG2 GLN A 36 10.804 -11.245 -1.711 1.00 4.24 H new ATOM 0 HG3 GLN A 36 9.541 -12.437 -1.475 1.00 4.24 H new ATOM 0 HE21 GLN A 36 9.280 -14.159 -2.957 1.00 73.54 H new ATOM 0 HE22 GLN A 36 10.544 -14.561 -4.124 1.00 73.54 H new ATOM 553 N MET A 37 8.451 -7.500 -1.733 1.00 21.15 N ATOM 554 CA MET A 37 9.016 -6.159 -1.794 1.00 44.15 C ATOM 555 C MET A 37 9.143 -5.596 -0.382 1.00 3.11 C ATOM 556 O MET A 37 8.338 -5.924 0.488 1.00 54.14 O ATOM 557 CB MET A 37 8.101 -5.277 -2.653 1.00 44.33 C ATOM 558 CG MET A 37 8.599 -3.857 -2.871 1.00 12.10 C ATOM 559 SD MET A 37 7.455 -2.893 -3.880 1.00 70.55 S ATOM 560 CE MET A 37 8.301 -1.320 -3.967 1.00 25.14 C ATOM 0 H MET A 37 7.440 -7.518 -1.601 1.00 21.15 H new ATOM 0 HA MET A 37 10.009 -6.185 -2.243 1.00 44.15 H new ATOM 0 HB2 MET A 37 7.970 -5.753 -3.625 1.00 44.33 H new ATOM 0 HB3 MET A 37 7.118 -5.234 -2.184 1.00 44.33 H new ATOM 0 HG2 MET A 37 8.734 -3.367 -1.907 1.00 12.10 H new ATOM 0 HG3 MET A 37 9.576 -3.885 -3.354 1.00 12.10 H new ATOM 0 HE1 MET A 37 7.840 -0.701 -4.737 1.00 25.14 H new ATOM 0 HE2 MET A 37 8.229 -0.814 -3.004 1.00 25.14 H new ATOM 0 HE3 MET A 37 9.350 -1.484 -4.213 1.00 25.14 H new ATOM 570 N SER A 38 10.165 -4.786 -0.146 1.00 44.01 N ATOM 571 CA SER A 38 10.365 -4.172 1.158 1.00 1.21 C ATOM 572 C SER A 38 9.594 -2.859 1.261 1.00 64.30 C ATOM 573 O SER A 38 9.433 -2.142 0.270 1.00 50.15 O ATOM 574 CB SER A 38 11.856 -3.944 1.401 1.00 32.44 C ATOM 575 OG SER A 38 12.560 -5.173 1.320 1.00 73.31 O ATOM 0 H SER A 38 10.869 -4.539 -0.841 1.00 44.01 H new ATOM 0 HA SER A 38 9.983 -4.845 1.925 1.00 1.21 H new ATOM 0 HB2 SER A 38 12.249 -3.243 0.665 1.00 32.44 H new ATOM 0 HB3 SER A 38 12.007 -3.494 2.382 1.00 32.44 H new ATOM 0 HG SER A 38 13.514 -5.014 1.476 1.00 73.31 H new ATOM 581 N VAL A 39 9.130 -2.547 2.465 1.00 1.35 N ATOM 582 CA VAL A 39 8.307 -1.364 2.696 1.00 72.34 C ATOM 583 C VAL A 39 9.097 -0.087 2.421 1.00 34.41 C ATOM 584 O VAL A 39 8.559 0.892 1.907 1.00 60.10 O ATOM 585 CB VAL A 39 7.774 -1.331 4.146 1.00 50.21 C ATOM 586 CG1 VAL A 39 6.775 -0.199 4.334 1.00 2.11 C ATOM 587 CG2 VAL A 39 7.151 -2.666 4.523 1.00 34.12 C ATOM 0 H VAL A 39 9.311 -3.101 3.302 1.00 1.35 H new ATOM 0 HA VAL A 39 7.463 -1.418 2.008 1.00 72.34 H new ATOM 0 HB VAL A 39 8.619 -1.149 4.810 1.00 50.21 H new ATOM 0 HG11 VAL A 39 6.415 -0.198 5.363 1.00 2.11 H new ATOM 0 HG12 VAL A 39 7.259 0.753 4.118 1.00 2.11 H new ATOM 0 HG13 VAL A 39 5.933 -0.340 3.656 1.00 2.11 H new ATOM 0 HG21 VAL A 39 6.783 -2.619 5.548 1.00 34.12 H new ATOM 0 HG22 VAL A 39 6.322 -2.884 3.849 1.00 34.12 H new ATOM 0 HG23 VAL A 39 7.901 -3.453 4.442 1.00 34.12 H new ATOM 597 N GLU A 40 10.385 -0.112 2.746 1.00 32.10 N ATOM 598 CA GLU A 40 11.257 1.038 2.535 1.00 71.33 C ATOM 599 C GLU A 40 11.297 1.448 1.059 1.00 1.34 C ATOM 600 O GLU A 40 11.493 2.620 0.732 1.00 12.30 O ATOM 601 CB GLU A 40 12.673 0.715 3.009 1.00 14.51 C ATOM 602 CG GLU A 40 13.614 1.906 2.950 1.00 54.31 C ATOM 603 CD GLU A 40 15.043 1.538 3.261 1.00 61.14 C ATOM 604 OE1 GLU A 40 15.335 1.203 4.425 1.00 0.33 O ATOM 605 OE2 GLU A 40 15.889 1.593 2.345 1.00 4.31 O ATOM 0 H GLU A 40 10.850 -0.920 3.159 1.00 32.10 H new ATOM 0 HA GLU A 40 10.854 1.870 3.112 1.00 71.33 H new ATOM 0 HB2 GLU A 40 12.630 0.345 4.034 1.00 14.51 H new ATOM 0 HB3 GLU A 40 13.079 -0.090 2.396 1.00 14.51 H new ATOM 0 HG2 GLU A 40 13.566 2.352 1.956 1.00 54.31 H new ATOM 0 HG3 GLU A 40 13.277 2.665 3.656 1.00 54.31 H new ATOM 612 N ALA A 41 11.095 0.478 0.175 1.00 53.43 N ATOM 613 CA ALA A 41 11.191 0.716 -1.260 1.00 20.42 C ATOM 614 C ALA A 41 10.099 1.665 -1.741 1.00 13.22 C ATOM 615 O ALA A 41 10.371 2.591 -2.504 1.00 33.22 O ATOM 616 CB ALA A 41 11.136 -0.599 -2.021 1.00 10.30 C ATOM 0 H ALA A 41 10.863 -0.483 0.428 1.00 53.43 H new ATOM 0 HA ALA A 41 12.151 1.192 -1.458 1.00 20.42 H new ATOM 0 HB1 ALA A 41 11.209 -0.404 -3.091 1.00 10.30 H new ATOM 0 HB2 ALA A 41 11.966 -1.234 -1.711 1.00 10.30 H new ATOM 0 HB3 ALA A 41 10.194 -1.104 -1.808 1.00 10.30 H new ATOM 622 N VAL A 42 8.869 1.451 -1.287 1.00 62.14 N ATOM 623 CA VAL A 42 7.764 2.319 -1.683 1.00 13.53 C ATOM 624 C VAL A 42 7.896 3.679 -0.997 1.00 73.04 C ATOM 625 O VAL A 42 7.502 4.710 -1.549 1.00 44.24 O ATOM 626 CB VAL A 42 6.380 1.688 -1.381 1.00 45.25 C ATOM 627 CG1 VAL A 42 6.160 1.512 0.113 1.00 55.12 C ATOM 628 CG2 VAL A 42 5.262 2.517 -1.995 1.00 13.13 C ATOM 0 H VAL A 42 8.613 0.694 -0.653 1.00 62.14 H new ATOM 0 HA VAL A 42 7.822 2.451 -2.763 1.00 13.53 H new ATOM 0 HB VAL A 42 6.365 0.698 -1.836 1.00 45.25 H new ATOM 0 HG11 VAL A 42 5.180 1.067 0.287 1.00 55.12 H new ATOM 0 HG12 VAL A 42 6.932 0.859 0.520 1.00 55.12 H new ATOM 0 HG13 VAL A 42 6.210 2.483 0.605 1.00 55.12 H new ATOM 0 HG21 VAL A 42 4.301 2.055 -1.770 1.00 13.13 H new ATOM 0 HG22 VAL A 42 5.286 3.525 -1.580 1.00 13.13 H new ATOM 0 HG23 VAL A 42 5.397 2.566 -3.076 1.00 13.13 H new ATOM 638 N LYS A 43 8.482 3.675 0.197 1.00 71.23 N ATOM 639 CA LYS A 43 8.742 4.909 0.928 1.00 74.32 C ATOM 640 C LYS A 43 9.750 5.775 0.186 1.00 11.31 C ATOM 641 O LYS A 43 9.684 7.000 0.237 1.00 42.21 O ATOM 642 CB LYS A 43 9.284 4.607 2.320 1.00 24.32 C ATOM 643 CG LYS A 43 8.288 3.952 3.256 1.00 0.42 C ATOM 644 CD LYS A 43 8.952 3.608 4.573 1.00 22.13 C ATOM 645 CE LYS A 43 7.951 3.124 5.604 1.00 5.42 C ATOM 646 NZ LYS A 43 8.629 2.695 6.854 1.00 34.25 N ATOM 0 H LYS A 43 8.786 2.829 0.679 1.00 71.23 H new ATOM 0 HA LYS A 43 7.797 5.445 1.013 1.00 74.32 H new ATOM 0 HB2 LYS A 43 10.154 3.957 2.224 1.00 24.32 H new ATOM 0 HB3 LYS A 43 9.629 5.537 2.771 1.00 24.32 H new ATOM 0 HG2 LYS A 43 7.446 4.623 3.430 1.00 0.42 H new ATOM 0 HG3 LYS A 43 7.886 3.049 2.797 1.00 0.42 H new ATOM 0 HD2 LYS A 43 9.705 2.837 4.409 1.00 22.13 H new ATOM 0 HD3 LYS A 43 9.472 4.485 4.957 1.00 22.13 H new ATOM 0 HE2 LYS A 43 7.242 3.921 5.827 1.00 5.42 H new ATOM 0 HE3 LYS A 43 7.378 2.292 5.195 1.00 5.42 H new ATOM 0 HZ1 LYS A 43 7.958 2.743 7.647 1.00 34.25 H new ATOM 0 HZ2 LYS A 43 8.969 1.718 6.747 1.00 34.25 H new ATOM 0 HZ3 LYS A 43 9.436 3.323 7.045 1.00 34.25 H new ATOM 660 N GLU A 44 10.678 5.122 -0.503 1.00 51.02 N ATOM 661 CA GLU A 44 11.749 5.813 -1.209 1.00 14.32 C ATOM 662 C GLU A 44 11.193 6.787 -2.243 1.00 45.20 C ATOM 663 O GLU A 44 11.660 7.923 -2.347 1.00 64.40 O ATOM 664 CB GLU A 44 12.671 4.797 -1.884 1.00 73.20 C ATOM 665 CG GLU A 44 13.900 5.419 -2.523 1.00 50.15 C ATOM 666 CD GLU A 44 14.782 4.395 -3.199 1.00 42.25 C ATOM 667 OE1 GLU A 44 15.599 3.758 -2.505 1.00 50.12 O ATOM 668 OE2 GLU A 44 14.661 4.223 -4.429 1.00 42.42 O ATOM 0 H GLU A 44 10.709 4.106 -0.588 1.00 51.02 H new ATOM 0 HA GLU A 44 12.320 6.388 -0.480 1.00 14.32 H new ATOM 0 HB2 GLU A 44 12.989 4.061 -1.145 1.00 73.20 H new ATOM 0 HB3 GLU A 44 12.108 4.259 -2.647 1.00 73.20 H new ATOM 0 HG2 GLU A 44 13.587 6.164 -3.255 1.00 50.15 H new ATOM 0 HG3 GLU A 44 14.476 5.943 -1.760 1.00 50.15 H new ATOM 675 N LYS A 45 10.185 6.356 -2.992 1.00 61.43 N ATOM 676 CA LYS A 45 9.603 7.202 -4.025 1.00 15.13 C ATOM 677 C LYS A 45 8.731 8.290 -3.403 1.00 61.12 C ATOM 678 O LYS A 45 8.628 9.391 -3.935 1.00 72.44 O ATOM 679 CB LYS A 45 8.792 6.371 -5.020 1.00 75.33 C ATOM 680 CG LYS A 45 8.336 7.165 -6.234 1.00 72.04 C ATOM 681 CD LYS A 45 7.715 6.270 -7.293 1.00 53.12 C ATOM 682 CE LYS A 45 7.416 7.050 -8.564 1.00 2.24 C ATOM 683 NZ LYS A 45 6.969 6.161 -9.670 1.00 53.34 N ATOM 0 H LYS A 45 9.757 5.434 -2.904 1.00 61.43 H new ATOM 0 HA LYS A 45 10.419 7.681 -4.567 1.00 15.13 H new ATOM 0 HB2 LYS A 45 9.394 5.525 -5.353 1.00 75.33 H new ATOM 0 HB3 LYS A 45 7.918 5.961 -4.513 1.00 75.33 H new ATOM 0 HG2 LYS A 45 7.612 7.918 -5.924 1.00 72.04 H new ATOM 0 HG3 LYS A 45 9.186 7.697 -6.661 1.00 72.04 H new ATOM 0 HD2 LYS A 45 8.392 5.446 -7.519 1.00 53.12 H new ATOM 0 HD3 LYS A 45 6.795 5.830 -6.908 1.00 53.12 H new ATOM 0 HE2 LYS A 45 6.644 7.792 -8.361 1.00 2.24 H new ATOM 0 HE3 LYS A 45 8.308 7.594 -8.874 1.00 2.24 H new ATOM 0 HZ1 LYS A 45 6.776 6.732 -10.518 1.00 53.34 H new ATOM 0 HZ2 LYS A 45 7.715 5.468 -9.882 1.00 53.34 H new ATOM 0 HZ3 LYS A 45 6.103 5.661 -9.385 1.00 53.34 H new ATOM 697 N LEU A 46 8.118 7.979 -2.266 1.00 43.51 N ATOM 698 CA LEU A 46 7.306 8.958 -1.549 1.00 62.13 C ATOM 699 C LEU A 46 8.204 10.015 -0.907 1.00 42.23 C ATOM 700 O LEU A 46 7.848 11.193 -0.831 1.00 1.32 O ATOM 701 CB LEU A 46 6.452 8.263 -0.483 1.00 10.31 C ATOM 702 CG LEU A 46 5.453 7.230 -1.015 1.00 72.13 C ATOM 703 CD1 LEU A 46 4.704 6.570 0.131 1.00 61.50 C ATOM 704 CD2 LEU A 46 4.478 7.880 -1.986 1.00 62.11 C ATOM 0 H LEU A 46 8.167 7.062 -1.822 1.00 43.51 H new ATOM 0 HA LEU A 46 6.640 9.449 -2.258 1.00 62.13 H new ATOM 0 HB2 LEU A 46 7.116 7.770 0.226 1.00 10.31 H new ATOM 0 HB3 LEU A 46 5.902 9.024 0.071 1.00 10.31 H new ATOM 0 HG LEU A 46 6.009 6.460 -1.550 1.00 72.13 H new ATOM 0 HD11 LEU A 46 4.000 5.840 -0.267 1.00 61.50 H new ATOM 0 HD12 LEU A 46 5.414 6.068 0.788 1.00 61.50 H new ATOM 0 HD13 LEU A 46 4.161 7.328 0.695 1.00 61.50 H new ATOM 0 HD21 LEU A 46 3.776 7.131 -2.353 1.00 62.11 H new ATOM 0 HD22 LEU A 46 3.929 8.672 -1.476 1.00 62.11 H new ATOM 0 HD23 LEU A 46 5.029 8.304 -2.826 1.00 62.11 H new ATOM 716 N TRP A 47 9.369 9.579 -0.458 1.00 21.04 N ATOM 717 CA TRP A 47 10.369 10.469 0.113 1.00 13.13 C ATOM 718 C TRP A 47 10.957 11.374 -0.967 1.00 61.41 C ATOM 719 O TRP A 47 11.015 12.591 -0.802 1.00 71.21 O ATOM 720 CB TRP A 47 11.468 9.644 0.793 1.00 24.41 C ATOM 721 CG TRP A 47 12.698 10.423 1.154 1.00 65.21 C ATOM 722 CD1 TRP A 47 12.766 11.550 1.921 1.00 24.02 C ATOM 723 CD2 TRP A 47 14.043 10.115 0.774 1.00 3.33 C ATOM 724 NE1 TRP A 47 14.070 11.966 2.031 1.00 4.34 N ATOM 725 CE2 TRP A 47 14.874 11.104 1.334 1.00 50.44 C ATOM 726 CE3 TRP A 47 14.626 9.103 0.007 1.00 70.41 C ATOM 727 CZ2 TRP A 47 16.255 11.106 1.156 1.00 24.44 C ATOM 728 CZ3 TRP A 47 15.994 9.105 -0.168 1.00 73.43 C ATOM 729 CH2 TRP A 47 16.797 10.102 0.403 1.00 63.44 C ATOM 0 H TRP A 47 9.649 8.598 -0.479 1.00 21.04 H new ATOM 0 HA TRP A 47 9.896 11.104 0.862 1.00 13.13 H new ATOM 0 HB2 TRP A 47 11.060 9.194 1.698 1.00 24.41 H new ATOM 0 HB3 TRP A 47 11.753 8.826 0.131 1.00 24.41 H new ATOM 0 HD1 TRP A 47 11.919 12.042 2.375 1.00 24.02 H new ATOM 0 HE1 TRP A 47 14.388 12.785 2.549 1.00 4.34 H new ATOM 0 HE3 TRP A 47 14.016 8.333 -0.441 1.00 70.41 H new ATOM 0 HZ2 TRP A 47 16.875 11.873 1.597 1.00 24.44 H new ATOM 0 HZ3 TRP A 47 16.455 8.325 -0.755 1.00 73.43 H new ATOM 0 HH2 TRP A 47 17.865 10.076 0.245 1.00 63.44 H new ATOM 740 N LYS A 48 11.359 10.779 -2.085 1.00 11.33 N ATOM 741 CA LYS A 48 11.951 11.540 -3.184 1.00 74.34 C ATOM 742 C LYS A 48 10.883 12.282 -3.985 1.00 61.05 C ATOM 743 O LYS A 48 11.187 12.938 -4.980 1.00 3.43 O ATOM 744 CB LYS A 48 12.759 10.624 -4.108 1.00 72.14 C ATOM 745 CG LYS A 48 13.973 9.997 -3.441 1.00 24.32 C ATOM 746 CD LYS A 48 14.841 9.239 -4.438 1.00 42.05 C ATOM 747 CE LYS A 48 14.107 8.055 -5.046 1.00 14.04 C ATOM 748 NZ LYS A 48 14.960 7.315 -6.017 1.00 22.21 N ATOM 0 H LYS A 48 11.287 9.776 -2.256 1.00 11.33 H new ATOM 0 HA LYS A 48 12.623 12.278 -2.746 1.00 74.34 H new ATOM 0 HB2 LYS A 48 12.109 9.831 -4.477 1.00 72.14 H new ATOM 0 HB3 LYS A 48 13.088 11.197 -4.975 1.00 72.14 H new ATOM 0 HG2 LYS A 48 14.566 10.776 -2.962 1.00 24.32 H new ATOM 0 HG3 LYS A 48 13.645 9.317 -2.655 1.00 24.32 H new ATOM 0 HD2 LYS A 48 15.157 9.916 -5.232 1.00 42.05 H new ATOM 0 HD3 LYS A 48 15.744 8.888 -3.939 1.00 42.05 H new ATOM 0 HE2 LYS A 48 13.788 7.379 -4.253 1.00 14.04 H new ATOM 0 HE3 LYS A 48 13.205 8.405 -5.548 1.00 14.04 H new ATOM 0 HZ1 LYS A 48 14.424 6.515 -6.410 1.00 22.21 H new ATOM 0 HZ2 LYS A 48 15.243 7.954 -6.787 1.00 22.21 H new ATOM 0 HZ3 LYS A 48 15.809 6.959 -5.533 1.00 22.21 H new ATOM 762 N LYS A 49 9.636 12.174 -3.549 1.00 61.31 N ATOM 763 CA LYS A 49 8.538 12.885 -4.185 1.00 61.34 C ATOM 764 C LYS A 49 8.598 14.370 -3.847 1.00 63.00 C ATOM 765 O LYS A 49 8.677 15.218 -4.734 1.00 43.32 O ATOM 766 CB LYS A 49 7.197 12.291 -3.741 1.00 1.23 C ATOM 767 CG LYS A 49 5.978 13.060 -4.231 1.00 70.43 C ATOM 768 CD LYS A 49 5.905 13.109 -5.747 1.00 43.05 C ATOM 769 CE LYS A 49 4.671 13.858 -6.218 1.00 1.04 C ATOM 770 NZ LYS A 49 4.602 13.934 -7.700 1.00 63.21 N ATOM 0 H LYS A 49 9.360 11.598 -2.754 1.00 61.31 H new ATOM 0 HA LYS A 49 8.630 12.774 -5.265 1.00 61.34 H new ATOM 0 HB2 LYS A 49 7.132 11.264 -4.099 1.00 1.23 H new ATOM 0 HB3 LYS A 49 7.173 12.251 -2.652 1.00 1.23 H new ATOM 0 HG2 LYS A 49 5.074 12.593 -3.840 1.00 70.43 H new ATOM 0 HG3 LYS A 49 6.008 14.076 -3.837 1.00 70.43 H new ATOM 0 HD2 LYS A 49 6.799 13.593 -6.140 1.00 43.05 H new ATOM 0 HD3 LYS A 49 5.891 12.094 -6.145 1.00 43.05 H new ATOM 0 HE2 LYS A 49 3.778 13.362 -5.838 1.00 1.04 H new ATOM 0 HE3 LYS A 49 4.677 14.866 -5.803 1.00 1.04 H new ATOM 0 HZ1 LYS A 49 3.746 14.453 -7.982 1.00 63.21 H new ATOM 0 HZ2 LYS A 49 5.442 14.430 -8.062 1.00 63.21 H new ATOM 0 HZ3 LYS A 49 4.570 12.973 -8.096 1.00 63.21 H new ATOM 784 N CYS A 50 8.575 14.679 -2.560 1.00 61.54 N ATOM 785 CA CYS A 50 8.599 16.064 -2.108 1.00 72.54 C ATOM 786 C CYS A 50 9.940 16.407 -1.463 1.00 11.44 C ATOM 787 O CYS A 50 10.218 17.568 -1.157 1.00 32.33 O ATOM 788 CB CYS A 50 7.456 16.308 -1.122 1.00 21.10 C ATOM 789 SG CYS A 50 7.385 15.114 0.230 1.00 41.15 S ATOM 0 H CYS A 50 8.540 13.990 -1.809 1.00 61.54 H new ATOM 0 HA CYS A 50 8.468 16.712 -2.974 1.00 72.54 H new ATOM 0 HB2 CYS A 50 7.558 17.309 -0.704 1.00 21.10 H new ATOM 0 HB3 CYS A 50 6.511 16.284 -1.664 1.00 21.10 H new ATOM 0 HG CYS A 50 6.388 15.403 1.013 1.00 41.15 H new ATOM 795 N GLY A 51 10.775 15.392 -1.273 1.00 25.44 N ATOM 796 CA GLY A 51 12.051 15.594 -0.613 1.00 11.31 C ATOM 797 C GLY A 51 11.888 15.678 0.888 1.00 44.14 C ATOM 798 O GLY A 51 12.686 16.311 1.581 1.00 30.30 O ATOM 0 H GLY A 51 10.591 14.432 -1.565 1.00 25.44 H new ATOM 0 HA2 GLY A 51 12.725 14.774 -0.862 1.00 11.31 H new ATOM 0 HA3 GLY A 51 12.513 16.510 -0.982 1.00 11.31 H new ATOM 802 N THR A 52 10.843 15.040 1.388 1.00 34.01 N ATOM 803 CA THR A 52 10.524 15.073 2.801 1.00 51.40 C ATOM 804 C THR A 52 10.279 13.656 3.310 1.00 62.25 C ATOM 805 O THR A 52 9.681 12.838 2.607 1.00 33.20 O ATOM 806 CB THR A 52 9.266 15.932 3.056 1.00 1.54 C ATOM 807 OG1 THR A 52 9.364 17.173 2.340 1.00 21.53 O ATOM 808 CG2 THR A 52 9.084 16.222 4.542 1.00 43.35 C ATOM 0 H THR A 52 10.195 14.487 0.826 1.00 34.01 H new ATOM 0 HA THR A 52 11.367 15.515 3.333 1.00 51.40 H new ATOM 0 HB THR A 52 8.402 15.368 2.704 1.00 1.54 H new ATOM 0 HG1 THR A 52 8.873 17.103 1.495 1.00 21.53 H new ATOM 0 HG21 THR A 52 8.190 16.828 4.688 1.00 43.35 H new ATOM 0 HG22 THR A 52 8.978 15.283 5.086 1.00 43.35 H new ATOM 0 HG23 THR A 52 9.954 16.762 4.916 1.00 43.35 H new ATOM 816 N SER A 53 10.764 13.360 4.509 1.00 22.32 N ATOM 817 CA SER A 53 10.543 12.059 5.120 1.00 33.21 C ATOM 818 C SER A 53 9.053 11.844 5.383 1.00 62.33 C ATOM 819 O SER A 53 8.355 12.759 5.834 1.00 72.10 O ATOM 820 CB SER A 53 11.334 11.956 6.427 1.00 50.11 C ATOM 821 OG SER A 53 12.698 12.295 6.220 1.00 20.10 O ATOM 0 H SER A 53 11.313 14.005 5.077 1.00 22.32 H new ATOM 0 HA SER A 53 10.889 11.284 4.436 1.00 33.21 H new ATOM 0 HB2 SER A 53 10.899 12.620 7.174 1.00 50.11 H new ATOM 0 HB3 SER A 53 11.262 10.942 6.822 1.00 50.11 H new ATOM 0 HG SER A 53 13.185 12.224 7.068 1.00 20.10 H new ATOM 827 N VAL A 54 8.566 10.645 5.086 1.00 71.31 N ATOM 828 CA VAL A 54 7.158 10.326 5.274 1.00 22.35 C ATOM 829 C VAL A 54 6.838 10.185 6.759 1.00 23.23 C ATOM 830 O VAL A 54 6.914 9.094 7.328 1.00 62.43 O ATOM 831 CB VAL A 54 6.753 9.031 4.532 1.00 72.33 C ATOM 832 CG1 VAL A 54 5.248 8.823 4.596 1.00 51.21 C ATOM 833 CG2 VAL A 54 7.228 9.068 3.087 1.00 53.21 C ATOM 0 H VAL A 54 9.126 9.878 4.714 1.00 71.31 H new ATOM 0 HA VAL A 54 6.583 11.150 4.851 1.00 22.35 H new ATOM 0 HB VAL A 54 7.236 8.189 5.029 1.00 72.33 H new ATOM 0 HG11 VAL A 54 4.985 7.907 4.068 1.00 51.21 H new ATOM 0 HG12 VAL A 54 4.936 8.744 5.637 1.00 51.21 H new ATOM 0 HG13 VAL A 54 4.744 9.669 4.129 1.00 51.21 H new ATOM 0 HG21 VAL A 54 6.933 8.148 2.583 1.00 53.21 H new ATOM 0 HG22 VAL A 54 6.778 9.921 2.578 1.00 53.21 H new ATOM 0 HG23 VAL A 54 8.314 9.162 3.063 1.00 53.21 H new ATOM 843 N ASN A 55 6.521 11.308 7.389 1.00 1.01 N ATOM 844 CA ASN A 55 6.185 11.324 8.805 1.00 14.22 C ATOM 845 C ASN A 55 4.854 12.031 9.031 1.00 52.10 C ATOM 846 O ASN A 55 3.963 11.495 9.689 1.00 54.14 O ATOM 847 CB ASN A 55 7.293 12.018 9.608 1.00 12.55 C ATOM 848 CG ASN A 55 7.021 12.001 11.103 1.00 23.11 C ATOM 849 OD1 ASN A 55 7.401 11.062 11.802 1.00 42.51 O ATOM 850 ND2 ASN A 55 6.380 13.042 11.607 1.00 44.51 N ATOM 0 H ASN A 55 6.490 12.223 6.939 1.00 1.01 H new ATOM 0 HA ASN A 55 6.094 10.293 9.148 1.00 14.22 H new ATOM 0 HB2 ASN A 55 8.245 11.526 9.409 1.00 12.55 H new ATOM 0 HB3 ASN A 55 7.391 13.050 9.271 1.00 12.55 H new ATOM 0 HD21 ASN A 55 6.185 13.085 12.607 1.00 44.51 H new ATOM 0 HD22 ASN A 55 6.081 13.802 10.996 1.00 44.51 H new ATOM 857 N SER A 56 4.726 13.236 8.479 1.00 3.14 N ATOM 858 CA SER A 56 3.503 14.018 8.620 1.00 53.35 C ATOM 859 C SER A 56 2.304 13.260 8.047 1.00 32.44 C ATOM 860 O SER A 56 1.271 13.121 8.704 1.00 1.43 O ATOM 861 CB SER A 56 3.664 15.364 7.913 1.00 55.55 C ATOM 862 OG SER A 56 4.877 15.990 8.298 1.00 64.13 O ATOM 0 H SER A 56 5.455 13.691 7.930 1.00 3.14 H new ATOM 0 HA SER A 56 3.321 14.190 9.681 1.00 53.35 H new ATOM 0 HB2 SER A 56 3.652 15.217 6.833 1.00 55.55 H new ATOM 0 HB3 SER A 56 2.822 16.011 8.156 1.00 55.55 H new ATOM 0 HG SER A 56 4.963 16.849 7.834 1.00 64.13 H new ATOM 868 N MET A 57 2.458 12.761 6.828 1.00 25.43 N ATOM 869 CA MET A 57 1.419 11.961 6.197 1.00 31.55 C ATOM 870 C MET A 57 1.445 10.550 6.769 1.00 64.54 C ATOM 871 O MET A 57 2.290 9.736 6.399 1.00 4.34 O ATOM 872 CB MET A 57 1.617 11.923 4.679 1.00 12.31 C ATOM 873 CG MET A 57 0.591 11.074 3.946 1.00 25.13 C ATOM 874 SD MET A 57 0.839 11.074 2.158 1.00 3.33 S ATOM 875 CE MET A 57 0.555 12.802 1.770 1.00 34.41 C ATOM 0 H MET A 57 3.292 12.896 6.257 1.00 25.43 H new ATOM 0 HA MET A 57 0.449 12.414 6.402 1.00 31.55 H new ATOM 0 HB2 MET A 57 1.576 12.941 4.291 1.00 12.31 H new ATOM 0 HB3 MET A 57 2.614 11.539 4.462 1.00 12.31 H new ATOM 0 HG2 MET A 57 0.641 10.050 4.316 1.00 25.13 H new ATOM 0 HG3 MET A 57 -0.409 11.445 4.170 1.00 25.13 H new ATOM 0 HE1 MET A 57 0.321 12.903 0.710 1.00 34.41 H new ATOM 0 HE2 MET A 57 -0.279 13.176 2.363 1.00 34.41 H new ATOM 0 HE3 MET A 57 1.451 13.379 2.000 1.00 34.41 H new ATOM 885 N ALA A 58 0.541 10.283 7.695 1.00 21.02 N ATOM 886 CA ALA A 58 0.496 8.994 8.369 1.00 34.42 C ATOM 887 C ALA A 58 -0.109 7.922 7.474 1.00 73.30 C ATOM 888 O ALA A 58 -1.273 8.004 7.079 1.00 72.32 O ATOM 889 CB ALA A 58 -0.286 9.101 9.668 1.00 54.11 C ATOM 0 H ALA A 58 -0.175 10.943 7.999 1.00 21.02 H new ATOM 0 HA ALA A 58 1.521 8.701 8.598 1.00 34.42 H new ATOM 0 HB1 ALA A 58 -0.310 8.128 10.159 1.00 54.11 H new ATOM 0 HB2 ALA A 58 0.195 9.827 10.324 1.00 54.11 H new ATOM 0 HB3 ALA A 58 -1.305 9.425 9.454 1.00 54.11 H new ATOM 895 N LEU A 59 0.695 6.925 7.145 1.00 1.24 N ATOM 896 CA LEU A 59 0.226 5.791 6.367 1.00 74.14 C ATOM 897 C LEU A 59 -0.191 4.669 7.306 1.00 0.24 C ATOM 898 O LEU A 59 0.635 3.864 7.733 1.00 73.33 O ATOM 899 CB LEU A 59 1.318 5.299 5.414 1.00 70.32 C ATOM 900 CG LEU A 59 1.877 6.350 4.452 1.00 32.43 C ATOM 901 CD1 LEU A 59 2.994 5.757 3.610 1.00 22.03 C ATOM 902 CD2 LEU A 59 0.774 6.903 3.561 1.00 32.54 C ATOM 0 H LEU A 59 1.680 6.878 7.406 1.00 1.24 H new ATOM 0 HA LEU A 59 -0.631 6.104 5.771 1.00 74.14 H new ATOM 0 HB2 LEU A 59 2.141 4.901 6.007 1.00 70.32 H new ATOM 0 HB3 LEU A 59 0.918 4.472 4.828 1.00 70.32 H new ATOM 0 HG LEU A 59 2.285 7.172 5.040 1.00 32.43 H new ATOM 0 HD11 LEU A 59 3.381 6.517 2.931 1.00 22.03 H new ATOM 0 HD12 LEU A 59 3.796 5.410 4.262 1.00 22.03 H new ATOM 0 HD13 LEU A 59 2.608 4.917 3.032 1.00 22.03 H new ATOM 0 HD21 LEU A 59 1.192 7.649 2.885 1.00 32.54 H new ATOM 0 HD22 LEU A 59 0.334 6.092 2.980 1.00 32.54 H new ATOM 0 HD23 LEU A 59 0.004 7.365 4.179 1.00 32.54 H new ATOM 914 N GLU A 60 -1.467 4.639 7.654 1.00 3.21 N ATOM 915 CA GLU A 60 -1.966 3.658 8.601 1.00 51.04 C ATOM 916 C GLU A 60 -2.252 2.331 7.915 1.00 15.51 C ATOM 917 O GLU A 60 -2.897 2.289 6.865 1.00 22.21 O ATOM 918 CB GLU A 60 -3.239 4.159 9.273 1.00 20.53 C ATOM 919 CG GLU A 60 -3.082 5.477 10.005 1.00 62.13 C ATOM 920 CD GLU A 60 -4.333 5.836 10.771 1.00 65.41 C ATOM 921 OE1 GLU A 60 -5.369 6.103 10.127 1.00 64.33 O ATOM 922 OE2 GLU A 60 -4.296 5.806 12.017 1.00 14.13 O ATOM 0 H GLU A 60 -2.174 5.281 7.296 1.00 3.21 H new ATOM 0 HA GLU A 60 -1.193 3.508 9.355 1.00 51.04 H new ATOM 0 HB2 GLU A 60 -4.016 4.267 8.517 1.00 20.53 H new ATOM 0 HB3 GLU A 60 -3.584 3.404 9.979 1.00 20.53 H new ATOM 0 HG2 GLU A 60 -2.238 5.415 10.692 1.00 62.13 H new ATOM 0 HG3 GLU A 60 -2.853 6.267 9.290 1.00 62.13 H new ATOM 929 N LEU A 61 -1.778 1.254 8.517 1.00 41.20 N ATOM 930 CA LEU A 61 -2.036 -0.073 8.002 1.00 43.04 C ATOM 931 C LEU A 61 -3.243 -0.665 8.717 1.00 1.12 C ATOM 932 O LEU A 61 -3.195 -0.936 9.917 1.00 52.05 O ATOM 933 CB LEU A 61 -0.807 -0.966 8.192 1.00 74.20 C ATOM 934 CG LEU A 61 -0.888 -2.339 7.525 1.00 55.31 C ATOM 935 CD1 LEU A 61 -1.011 -2.190 6.017 1.00 64.41 C ATOM 936 CD2 LEU A 61 0.328 -3.181 7.883 1.00 34.34 C ATOM 0 H LEU A 61 -1.211 1.276 9.365 1.00 41.20 H new ATOM 0 HA LEU A 61 -2.248 -0.011 6.935 1.00 43.04 H new ATOM 0 HB2 LEU A 61 0.066 -0.442 7.803 1.00 74.20 H new ATOM 0 HB3 LEU A 61 -0.643 -1.108 9.260 1.00 74.20 H new ATOM 0 HG LEU A 61 -1.777 -2.850 7.894 1.00 55.31 H new ATOM 0 HD11 LEU A 61 -1.068 -3.177 5.557 1.00 64.41 H new ATOM 0 HD12 LEU A 61 -1.913 -1.627 5.779 1.00 64.41 H new ATOM 0 HD13 LEU A 61 -0.140 -1.660 5.632 1.00 64.41 H new ATOM 0 HD21 LEU A 61 0.252 -4.155 7.399 1.00 34.34 H new ATOM 0 HD22 LEU A 61 1.233 -2.677 7.543 1.00 34.34 H new ATOM 0 HD23 LEU A 61 0.372 -3.316 8.964 1.00 34.34 H new ATOM 948 N TYR A 62 -4.339 -0.821 7.995 1.00 14.11 N ATOM 949 CA TYR A 62 -5.555 -1.366 8.577 1.00 44.10 C ATOM 950 C TYR A 62 -5.765 -2.812 8.151 1.00 63.41 C ATOM 951 O TYR A 62 -5.733 -3.130 6.960 1.00 14.44 O ATOM 952 CB TYR A 62 -6.778 -0.538 8.164 1.00 61.05 C ATOM 953 CG TYR A 62 -6.916 0.800 8.865 1.00 44.10 C ATOM 954 CD1 TYR A 62 -5.887 1.324 9.636 1.00 53.33 C ATOM 955 CD2 TYR A 62 -8.089 1.538 8.752 1.00 72.35 C ATOM 956 CE1 TYR A 62 -6.022 2.542 10.272 1.00 11.05 C ATOM 957 CE2 TYR A 62 -8.229 2.757 9.386 1.00 74.11 C ATOM 958 CZ TYR A 62 -7.193 3.254 10.143 1.00 64.23 C ATOM 959 OH TYR A 62 -7.325 4.469 10.774 1.00 44.53 O ATOM 0 H TYR A 62 -4.413 -0.579 7.007 1.00 14.11 H new ATOM 0 HA TYR A 62 -5.442 -1.326 9.660 1.00 44.10 H new ATOM 0 HB2 TYR A 62 -6.734 -0.364 7.089 1.00 61.05 H new ATOM 0 HB3 TYR A 62 -7.676 -1.125 8.355 1.00 61.05 H new ATOM 0 HD1 TYR A 62 -4.966 0.770 9.740 1.00 53.33 H new ATOM 0 HD2 TYR A 62 -8.904 1.152 8.158 1.00 72.35 H new ATOM 0 HE1 TYR A 62 -5.212 2.935 10.869 1.00 11.05 H new ATOM 0 HE2 TYR A 62 -9.147 3.317 9.288 1.00 74.11 H new ATOM 0 HH TYR A 62 -6.692 5.109 10.387 1.00 44.53 H new ATOM 969 N ASP A 63 -5.965 -3.680 9.130 1.00 62.24 N ATOM 970 CA ASP A 63 -6.392 -5.043 8.860 1.00 51.43 C ATOM 971 C ASP A 63 -7.903 -5.047 8.708 1.00 43.04 C ATOM 972 O ASP A 63 -8.634 -4.910 9.694 1.00 63.21 O ATOM 973 CB ASP A 63 -5.974 -5.999 9.980 1.00 10.23 C ATOM 974 CG ASP A 63 -6.375 -7.438 9.695 1.00 53.15 C ATOM 975 OD1 ASP A 63 -7.557 -7.788 9.904 1.00 33.31 O ATOM 976 OD2 ASP A 63 -5.509 -8.230 9.270 1.00 74.35 O ATOM 0 H ASP A 63 -5.838 -3.465 10.119 1.00 62.24 H new ATOM 0 HA ASP A 63 -5.913 -5.391 7.945 1.00 51.43 H new ATOM 0 HB2 ASP A 63 -4.894 -5.946 10.115 1.00 10.23 H new ATOM 0 HB3 ASP A 63 -6.428 -5.677 10.917 1.00 10.23 H new ATOM 981 N ASP A 64 -8.344 -5.141 7.458 1.00 62.11 N ATOM 982 CA ASP A 64 -9.757 -5.072 7.082 1.00 52.14 C ATOM 983 C ASP A 64 -10.279 -3.647 7.233 1.00 11.11 C ATOM 984 O ASP A 64 -10.620 -3.002 6.243 1.00 1.21 O ATOM 985 CB ASP A 64 -10.616 -6.043 7.895 1.00 15.13 C ATOM 986 CG ASP A 64 -12.044 -6.093 7.396 1.00 3.23 C ATOM 987 OD1 ASP A 64 -12.278 -6.707 6.335 1.00 24.22 O ATOM 988 OD2 ASP A 64 -12.939 -5.528 8.064 1.00 24.34 O ATOM 0 H ASP A 64 -7.720 -5.270 6.661 1.00 62.11 H new ATOM 0 HA ASP A 64 -9.830 -5.370 6.036 1.00 52.14 H new ATOM 0 HB2 ASP A 64 -10.180 -7.041 7.846 1.00 15.13 H new ATOM 0 HB3 ASP A 64 -10.609 -5.743 8.943 1.00 15.13 H new ATOM 993 N SER A 65 -10.293 -3.166 8.470 1.00 64.42 N ATOM 994 CA SER A 65 -10.765 -1.817 8.811 1.00 71.10 C ATOM 995 C SER A 65 -10.649 -1.553 10.313 1.00 25.33 C ATOM 996 O SER A 65 -10.171 -0.498 10.734 1.00 63.04 O ATOM 997 CB SER A 65 -12.228 -1.599 8.386 1.00 51.03 C ATOM 998 OG SER A 65 -12.342 -1.330 6.996 1.00 24.13 O ATOM 0 H SER A 65 -9.975 -3.702 9.278 1.00 64.42 H new ATOM 0 HA SER A 65 -10.127 -1.121 8.265 1.00 71.10 H new ATOM 0 HB2 SER A 65 -12.814 -2.484 8.633 1.00 51.03 H new ATOM 0 HB3 SER A 65 -12.651 -0.769 8.952 1.00 51.03 H new ATOM 0 HG SER A 65 -11.957 -2.073 6.486 1.00 24.13 H new ATOM 1004 N GLY A 66 -11.090 -2.511 11.120 1.00 55.50 N ATOM 1005 CA GLY A 66 -11.180 -2.296 12.553 1.00 21.42 C ATOM 1006 C GLY A 66 -9.862 -2.457 13.285 1.00 24.03 C ATOM 1007 O GLY A 66 -9.710 -1.974 14.408 1.00 30.32 O ATOM 0 H GLY A 66 -11.388 -3.435 10.807 1.00 55.50 H new ATOM 0 HA2 GLY A 66 -11.565 -1.293 12.736 1.00 21.42 H new ATOM 0 HA3 GLY A 66 -11.903 -2.996 12.970 1.00 21.42 H new ATOM 1011 N SER A 67 -8.912 -3.133 12.669 1.00 40.10 N ATOM 1012 CA SER A 67 -7.636 -3.385 13.315 1.00 22.30 C ATOM 1013 C SER A 67 -6.539 -2.486 12.750 1.00 75.13 C ATOM 1014 O SER A 67 -6.085 -2.676 11.622 1.00 54.30 O ATOM 1015 CB SER A 67 -7.260 -4.854 13.145 1.00 15.42 C ATOM 1016 OG SER A 67 -8.313 -5.700 13.582 1.00 63.40 O ATOM 0 H SER A 67 -8.997 -3.516 11.728 1.00 40.10 H new ATOM 0 HA SER A 67 -7.735 -3.156 14.376 1.00 22.30 H new ATOM 0 HB2 SER A 67 -7.035 -5.057 12.098 1.00 15.42 H new ATOM 0 HB3 SER A 67 -6.355 -5.070 13.713 1.00 15.42 H new ATOM 0 HG SER A 67 -8.051 -6.637 13.462 1.00 63.40 H new ATOM 1022 N LYS A 68 -6.130 -1.491 13.526 1.00 24.25 N ATOM 1023 CA LYS A 68 -5.022 -0.635 13.135 1.00 52.35 C ATOM 1024 C LYS A 68 -3.710 -1.346 13.445 1.00 61.01 C ATOM 1025 O LYS A 68 -3.162 -1.210 14.538 1.00 41.10 O ATOM 1026 CB LYS A 68 -5.084 0.705 13.876 1.00 13.55 C ATOM 1027 CG LYS A 68 -4.139 1.759 13.317 1.00 22.31 C ATOM 1028 CD LYS A 68 -3.952 2.923 14.283 1.00 0.34 C ATOM 1029 CE LYS A 68 -5.265 3.615 14.630 1.00 21.43 C ATOM 1030 NZ LYS A 68 -5.910 4.246 13.445 1.00 55.30 N ATOM 0 H LYS A 68 -6.548 -1.259 14.427 1.00 24.25 H new ATOM 0 HA LYS A 68 -5.087 -0.433 12.066 1.00 52.35 H new ATOM 0 HB2 LYS A 68 -6.104 1.086 13.834 1.00 13.55 H new ATOM 0 HB3 LYS A 68 -4.848 0.540 14.927 1.00 13.55 H new ATOM 0 HG2 LYS A 68 -3.172 1.304 13.105 1.00 22.31 H new ATOM 0 HG3 LYS A 68 -4.530 2.132 12.370 1.00 22.31 H new ATOM 0 HD2 LYS A 68 -3.485 2.559 15.198 1.00 0.34 H new ATOM 0 HD3 LYS A 68 -3.268 3.649 13.843 1.00 0.34 H new ATOM 0 HE2 LYS A 68 -5.950 2.889 15.068 1.00 21.43 H new ATOM 0 HE3 LYS A 68 -5.081 4.377 15.388 1.00 21.43 H new ATOM 0 HZ1 LYS A 68 -6.743 4.788 13.751 1.00 55.30 H new ATOM 0 HZ2 LYS A 68 -5.233 4.885 12.980 1.00 55.30 H new ATOM 0 HZ3 LYS A 68 -6.204 3.507 12.775 1.00 55.30 H new ATOM 1044 N VAL A 69 -3.226 -2.132 12.494 1.00 45.24 N ATOM 1045 CA VAL A 69 -2.048 -2.956 12.715 1.00 54.41 C ATOM 1046 C VAL A 69 -0.762 -2.177 12.443 1.00 3.33 C ATOM 1047 O VAL A 69 -0.354 -1.976 11.301 1.00 72.42 O ATOM 1048 CB VAL A 69 -2.093 -4.261 11.878 1.00 51.42 C ATOM 1049 CG1 VAL A 69 -3.146 -5.204 12.434 1.00 75.32 C ATOM 1050 CG2 VAL A 69 -2.374 -3.979 10.410 1.00 63.11 C ATOM 0 H VAL A 69 -3.632 -2.216 11.562 1.00 45.24 H new ATOM 0 HA VAL A 69 -2.051 -3.240 13.767 1.00 54.41 H new ATOM 0 HB VAL A 69 -1.112 -4.730 11.947 1.00 51.42 H new ATOM 0 HG11 VAL A 69 -3.168 -6.116 11.838 1.00 75.32 H new ATOM 0 HG12 VAL A 69 -2.904 -5.451 13.468 1.00 75.32 H new ATOM 0 HG13 VAL A 69 -4.123 -4.722 12.396 1.00 75.32 H new ATOM 0 HG21 VAL A 69 -2.398 -4.918 9.857 1.00 63.11 H new ATOM 0 HG22 VAL A 69 -3.337 -3.477 10.314 1.00 63.11 H new ATOM 0 HG23 VAL A 69 -1.589 -3.340 10.006 1.00 63.11 H new ATOM 1060 N ALA A 70 -0.141 -1.717 13.518 1.00 62.24 N ATOM 1061 CA ALA A 70 1.097 -0.966 13.425 1.00 54.22 C ATOM 1062 C ALA A 70 2.294 -1.873 13.683 1.00 12.21 C ATOM 1063 O ALA A 70 2.636 -2.162 14.831 1.00 61.05 O ATOM 1064 CB ALA A 70 1.087 0.200 14.404 1.00 11.41 C ATOM 0 H ALA A 70 -0.479 -1.853 14.471 1.00 62.24 H new ATOM 0 HA ALA A 70 1.183 -0.566 12.415 1.00 54.22 H new ATOM 0 HB1 ALA A 70 2.023 0.753 14.321 1.00 11.41 H new ATOM 0 HB2 ALA A 70 0.253 0.862 14.173 1.00 11.41 H new ATOM 0 HB3 ALA A 70 0.978 -0.179 15.420 1.00 11.41 H new ATOM 1070 N VAL A 71 2.899 -2.341 12.605 1.00 12.22 N ATOM 1071 CA VAL A 71 4.075 -3.195 12.685 1.00 71.23 C ATOM 1072 C VAL A 71 5.085 -2.793 11.611 1.00 73.14 C ATOM 1073 O VAL A 71 4.790 -2.838 10.419 1.00 15.32 O ATOM 1074 CB VAL A 71 3.702 -4.696 12.548 1.00 63.02 C ATOM 1075 CG1 VAL A 71 2.863 -4.955 11.302 1.00 65.31 C ATOM 1076 CG2 VAL A 71 4.951 -5.571 12.548 1.00 63.24 C ATOM 0 H VAL A 71 2.592 -2.142 11.653 1.00 12.22 H new ATOM 0 HA VAL A 71 4.525 -3.059 13.668 1.00 71.23 H new ATOM 0 HB VAL A 71 3.097 -4.961 13.415 1.00 63.02 H new ATOM 0 HG11 VAL A 71 2.621 -6.016 11.240 1.00 65.31 H new ATOM 0 HG12 VAL A 71 1.941 -4.376 11.357 1.00 65.31 H new ATOM 0 HG13 VAL A 71 3.425 -4.659 10.417 1.00 65.31 H new ATOM 0 HG21 VAL A 71 4.662 -6.618 12.451 1.00 63.24 H new ATOM 0 HG22 VAL A 71 5.591 -5.292 11.711 1.00 63.24 H new ATOM 0 HG23 VAL A 71 5.494 -5.430 13.482 1.00 63.24 H new ATOM 1086 N LEU A 72 6.263 -2.366 12.038 1.00 72.30 N ATOM 1087 CA LEU A 72 7.270 -1.891 11.098 1.00 65.03 C ATOM 1088 C LEU A 72 8.584 -2.657 11.259 1.00 32.12 C ATOM 1089 O LEU A 72 9.618 -2.255 10.727 1.00 55.13 O ATOM 1090 CB LEU A 72 7.494 -0.387 11.294 1.00 52.52 C ATOM 1091 CG LEU A 72 8.204 0.324 10.139 1.00 51.55 C ATOM 1092 CD1 LEU A 72 7.375 0.222 8.868 1.00 34.42 C ATOM 1093 CD2 LEU A 72 8.466 1.782 10.486 1.00 74.31 C ATOM 0 H LEU A 72 6.545 -2.338 13.018 1.00 72.30 H new ATOM 0 HA LEU A 72 6.908 -2.069 10.085 1.00 65.03 H new ATOM 0 HB2 LEU A 72 6.527 0.090 11.453 1.00 52.52 H new ATOM 0 HB3 LEU A 72 8.076 -0.238 12.203 1.00 52.52 H new ATOM 0 HG LEU A 72 9.163 -0.165 9.971 1.00 51.55 H new ATOM 0 HD11 LEU A 72 7.892 0.732 8.055 1.00 34.42 H new ATOM 0 HD12 LEU A 72 7.235 -0.827 8.608 1.00 34.42 H new ATOM 0 HD13 LEU A 72 6.403 0.688 9.029 1.00 34.42 H new ATOM 0 HD21 LEU A 72 8.971 2.269 9.652 1.00 74.31 H new ATOM 0 HD22 LEU A 72 7.519 2.285 10.681 1.00 74.31 H new ATOM 0 HD23 LEU A 72 9.096 1.837 11.374 1.00 74.31 H new ATOM 1105 N SER A 73 8.537 -3.774 11.971 1.00 12.13 N ATOM 1106 CA SER A 73 9.727 -4.594 12.182 1.00 73.54 C ATOM 1107 C SER A 73 10.155 -5.285 10.892 1.00 63.50 C ATOM 1108 O SER A 73 11.290 -5.746 10.765 1.00 60.43 O ATOM 1109 CB SER A 73 9.461 -5.636 13.267 1.00 25.14 C ATOM 1110 OG SER A 73 9.026 -5.023 14.468 1.00 41.10 O ATOM 0 H SER A 73 7.691 -4.135 12.412 1.00 12.13 H new ATOM 0 HA SER A 73 10.536 -3.938 12.502 1.00 73.54 H new ATOM 0 HB2 SER A 73 8.705 -6.341 12.921 1.00 25.14 H new ATOM 0 HB3 SER A 73 10.369 -6.209 13.456 1.00 25.14 H new ATOM 0 HG SER A 73 8.861 -5.712 15.146 1.00 41.10 H new ATOM 1116 N ASP A 74 9.243 -5.346 9.931 1.00 55.55 N ATOM 1117 CA ASP A 74 9.505 -6.031 8.673 1.00 50.42 C ATOM 1118 C ASP A 74 9.662 -5.038 7.529 1.00 43.05 C ATOM 1119 O ASP A 74 9.544 -5.400 6.360 1.00 41.24 O ATOM 1120 CB ASP A 74 8.382 -7.030 8.366 1.00 50.30 C ATOM 1121 CG ASP A 74 8.356 -8.188 9.345 1.00 4.31 C ATOM 1122 OD1 ASP A 74 7.788 -8.031 10.448 1.00 13.31 O ATOM 1123 OD2 ASP A 74 8.916 -9.260 9.025 1.00 2.34 O ATOM 0 H ASP A 74 8.315 -4.929 9.999 1.00 55.55 H new ATOM 0 HA ASP A 74 10.443 -6.577 8.774 1.00 50.42 H new ATOM 0 HB2 ASP A 74 7.422 -6.514 8.392 1.00 50.30 H new ATOM 0 HB3 ASP A 74 8.509 -7.416 7.354 1.00 50.30 H new ATOM 1128 N ASP A 75 9.960 -3.789 7.871 1.00 2.31 N ATOM 1129 CA ASP A 75 10.162 -2.744 6.869 1.00 32.25 C ATOM 1130 C ASP A 75 11.371 -3.067 5.997 1.00 42.13 C ATOM 1131 O ASP A 75 11.322 -2.943 4.770 1.00 33.13 O ATOM 1132 CB ASP A 75 10.361 -1.386 7.548 1.00 13.31 C ATOM 1133 CG ASP A 75 10.650 -0.268 6.561 1.00 54.51 C ATOM 1134 OD1 ASP A 75 11.831 -0.066 6.214 1.00 21.35 O ATOM 1135 OD2 ASP A 75 9.697 0.421 6.149 1.00 24.15 O ATOM 0 H ASP A 75 10.067 -3.474 8.835 1.00 2.31 H new ATOM 0 HA ASP A 75 9.274 -2.699 6.238 1.00 32.25 H new ATOM 0 HB2 ASP A 75 9.467 -1.137 8.120 1.00 13.31 H new ATOM 0 HB3 ASP A 75 11.184 -1.458 8.259 1.00 13.31 H new ATOM 1140 N SER A 76 12.443 -3.509 6.643 1.00 43.21 N ATOM 1141 CA SER A 76 13.686 -3.846 5.959 1.00 61.33 C ATOM 1142 C SER A 76 13.646 -5.284 5.438 1.00 64.44 C ATOM 1143 O SER A 76 14.684 -5.879 5.139 1.00 45.23 O ATOM 1144 CB SER A 76 14.857 -3.694 6.935 1.00 55.32 C ATOM 1145 OG SER A 76 14.712 -2.530 7.737 1.00 42.01 O ATOM 0 H SER A 76 12.476 -3.644 7.654 1.00 43.21 H new ATOM 0 HA SER A 76 13.812 -3.172 5.112 1.00 61.33 H new ATOM 0 HB2 SER A 76 14.917 -4.574 7.575 1.00 55.32 H new ATOM 0 HB3 SER A 76 15.793 -3.641 6.378 1.00 55.32 H new ATOM 0 HG SER A 76 15.472 -2.459 8.351 1.00 42.01 H new ATOM 1151 N ARG A 77 12.452 -5.839 5.324 1.00 33.03 N ATOM 1152 CA ARG A 77 12.295 -7.244 4.978 1.00 25.12 C ATOM 1153 C ARG A 77 11.521 -7.408 3.681 1.00 73.30 C ATOM 1154 O ARG A 77 10.724 -6.546 3.312 1.00 71.23 O ATOM 1155 CB ARG A 77 11.563 -7.969 6.109 1.00 55.13 C ATOM 1156 CG ARG A 77 12.266 -7.872 7.453 1.00 55.24 C ATOM 1157 CD ARG A 77 13.343 -8.932 7.614 1.00 30.02 C ATOM 1158 NE ARG A 77 14.368 -8.875 6.576 1.00 33.14 N ATOM 1159 CZ ARG A 77 15.273 -9.834 6.387 1.00 64.43 C ATOM 1160 NH1 ARG A 77 15.320 -10.873 7.213 1.00 73.25 N ATOM 1161 NH2 ARG A 77 16.144 -9.745 5.388 1.00 72.34 N ATOM 0 H ARG A 77 11.575 -5.339 5.466 1.00 33.03 H new ATOM 0 HA ARG A 77 13.286 -7.676 4.839 1.00 25.12 H new ATOM 0 HB2 ARG A 77 10.559 -7.556 6.204 1.00 55.13 H new ATOM 0 HB3 ARG A 77 11.451 -9.020 5.842 1.00 55.13 H new ATOM 0 HG2 ARG A 77 12.713 -6.883 7.557 1.00 55.24 H new ATOM 0 HG3 ARG A 77 11.533 -7.976 8.253 1.00 55.24 H new ATOM 0 HD2 ARG A 77 13.816 -8.815 8.589 1.00 30.02 H new ATOM 0 HD3 ARG A 77 12.878 -9.918 7.602 1.00 30.02 H new ATOM 0 HE ARG A 77 14.392 -8.059 5.964 1.00 33.14 H new ATOM 0 HH11 ARG A 77 14.664 -10.936 7.991 1.00 73.25 H new ATOM 0 HH12 ARG A 77 16.013 -11.608 7.069 1.00 73.25 H new ATOM 0 HH21 ARG A 77 16.122 -8.940 4.762 1.00 72.34 H new ATOM 0 HH22 ARG A 77 16.835 -10.482 5.247 1.00 72.34 H new ATOM 1175 N PRO A 78 11.779 -8.497 2.942 1.00 32.14 N ATOM 1176 CA PRO A 78 10.946 -8.876 1.806 1.00 44.41 C ATOM 1177 C PRO A 78 9.573 -9.339 2.282 1.00 2.22 C ATOM 1178 O PRO A 78 9.473 -10.189 3.167 1.00 35.41 O ATOM 1179 CB PRO A 78 11.716 -10.032 1.159 1.00 62.24 C ATOM 1180 CG PRO A 78 12.571 -10.586 2.248 1.00 71.22 C ATOM 1181 CD PRO A 78 12.908 -9.426 3.143 1.00 2.33 C ATOM 0 HA PRO A 78 10.767 -8.052 1.116 1.00 44.41 H new ATOM 0 HB2 PRO A 78 11.036 -10.789 0.768 1.00 62.24 H new ATOM 0 HB3 PRO A 78 12.321 -9.683 0.322 1.00 62.24 H new ATOM 0 HG2 PRO A 78 12.044 -11.364 2.800 1.00 71.22 H new ATOM 0 HG3 PRO A 78 13.475 -11.040 1.841 1.00 71.22 H new ATOM 0 HD2 PRO A 78 12.993 -9.734 4.185 1.00 2.33 H new ATOM 0 HD3 PRO A 78 13.858 -8.969 2.867 1.00 2.33 H new ATOM 1189 N LEU A 79 8.522 -8.776 1.698 1.00 14.23 N ATOM 1190 CA LEU A 79 7.152 -9.063 2.119 1.00 74.33 C ATOM 1191 C LEU A 79 6.836 -10.562 2.060 1.00 33.43 C ATOM 1192 O LEU A 79 5.986 -11.055 2.801 1.00 55.25 O ATOM 1193 CB LEU A 79 6.169 -8.282 1.244 1.00 53.15 C ATOM 1194 CG LEU A 79 4.734 -8.222 1.770 1.00 61.05 C ATOM 1195 CD1 LEU A 79 4.691 -7.548 3.135 1.00 10.13 C ATOM 1196 CD2 LEU A 79 3.841 -7.486 0.781 1.00 43.32 C ATOM 0 H LEU A 79 8.591 -8.113 0.926 1.00 14.23 H new ATOM 0 HA LEU A 79 7.049 -8.750 3.158 1.00 74.33 H new ATOM 0 HB2 LEU A 79 6.540 -7.263 1.129 1.00 53.15 H new ATOM 0 HB3 LEU A 79 6.156 -8.730 0.251 1.00 53.15 H new ATOM 0 HG LEU A 79 4.363 -9.241 1.882 1.00 61.05 H new ATOM 0 HD11 LEU A 79 3.662 -7.515 3.492 1.00 10.13 H new ATOM 0 HD12 LEU A 79 5.302 -8.113 3.839 1.00 10.13 H new ATOM 0 HD13 LEU A 79 5.079 -6.533 3.052 1.00 10.13 H new ATOM 0 HD21 LEU A 79 2.822 -7.450 1.167 1.00 43.32 H new ATOM 0 HD22 LEU A 79 4.212 -6.471 0.642 1.00 43.32 H new ATOM 0 HD23 LEU A 79 3.848 -8.009 -0.175 1.00 43.32 H new ATOM 1208 N GLY A 80 7.534 -11.286 1.189 1.00 45.31 N ATOM 1209 CA GLY A 80 7.317 -12.721 1.068 1.00 51.34 C ATOM 1210 C GLY A 80 7.805 -13.484 2.281 1.00 21.41 C ATOM 1211 O GLY A 80 7.258 -14.529 2.630 1.00 73.11 O ATOM 0 H GLY A 80 8.246 -10.907 0.565 1.00 45.31 H new ATOM 0 HA2 GLY A 80 6.254 -12.914 0.925 1.00 51.34 H new ATOM 0 HA3 GLY A 80 7.830 -13.090 0.180 1.00 51.34 H new ATOM 1215 N PHE A 81 8.821 -12.946 2.941 1.00 31.22 N ATOM 1216 CA PHE A 81 9.374 -13.568 4.131 1.00 73.22 C ATOM 1217 C PHE A 81 8.407 -13.393 5.297 1.00 34.41 C ATOM 1218 O PHE A 81 8.263 -14.278 6.141 1.00 0.43 O ATOM 1219 CB PHE A 81 10.742 -12.953 4.454 1.00 43.21 C ATOM 1220 CG PHE A 81 11.432 -13.569 5.639 1.00 52.45 C ATOM 1221 CD1 PHE A 81 11.937 -14.857 5.569 1.00 74.12 C ATOM 1222 CD2 PHE A 81 11.587 -12.854 6.816 1.00 62.45 C ATOM 1223 CE1 PHE A 81 12.580 -15.423 6.651 1.00 32.42 C ATOM 1224 CE2 PHE A 81 12.229 -13.419 7.902 1.00 4.14 C ATOM 1225 CZ PHE A 81 12.728 -14.703 7.818 1.00 1.21 C ATOM 0 H PHE A 81 9.279 -12.076 2.669 1.00 31.22 H new ATOM 0 HA PHE A 81 9.513 -14.635 3.955 1.00 73.22 H new ATOM 0 HB2 PHE A 81 11.387 -13.052 3.581 1.00 43.21 H new ATOM 0 HB3 PHE A 81 10.614 -11.886 4.637 1.00 43.21 H new ATOM 0 HD1 PHE A 81 11.826 -15.425 4.657 1.00 74.12 H new ATOM 0 HD2 PHE A 81 11.203 -11.847 6.885 1.00 62.45 H new ATOM 0 HE1 PHE A 81 12.967 -16.429 6.584 1.00 32.42 H new ATOM 0 HE2 PHE A 81 12.340 -12.855 8.817 1.00 4.14 H new ATOM 0 HZ PHE A 81 13.234 -15.143 8.665 1.00 1.21 H new ATOM 1235 N PHE A 82 7.732 -12.250 5.317 1.00 0.44 N ATOM 1236 CA PHE A 82 6.747 -11.948 6.348 1.00 63.22 C ATOM 1237 C PHE A 82 5.476 -12.774 6.149 1.00 25.31 C ATOM 1238 O PHE A 82 4.837 -13.186 7.121 1.00 11.12 O ATOM 1239 CB PHE A 82 6.422 -10.450 6.321 1.00 71.45 C ATOM 1240 CG PHE A 82 5.287 -10.044 7.226 1.00 22.21 C ATOM 1241 CD1 PHE A 82 5.461 -9.984 8.599 1.00 41.21 C ATOM 1242 CD2 PHE A 82 4.047 -9.720 6.698 1.00 52.52 C ATOM 1243 CE1 PHE A 82 4.422 -9.609 9.430 1.00 35.55 C ATOM 1244 CE2 PHE A 82 3.003 -9.346 7.523 1.00 13.52 C ATOM 1245 CZ PHE A 82 3.190 -9.292 8.891 1.00 65.45 C ATOM 0 H PHE A 82 7.851 -11.511 4.624 1.00 0.44 H new ATOM 0 HA PHE A 82 7.165 -12.209 7.320 1.00 63.22 H new ATOM 0 HB2 PHE A 82 7.314 -9.892 6.604 1.00 71.45 H new ATOM 0 HB3 PHE A 82 6.177 -10.162 5.299 1.00 71.45 H new ATOM 0 HD1 PHE A 82 6.421 -10.234 9.026 1.00 41.21 H new ATOM 0 HD2 PHE A 82 3.895 -9.760 5.630 1.00 52.52 H new ATOM 0 HE1 PHE A 82 4.573 -9.564 10.498 1.00 35.55 H new ATOM 0 HE2 PHE A 82 2.042 -9.096 7.099 1.00 13.52 H new ATOM 0 HZ PHE A 82 2.375 -9.003 9.538 1.00 65.45 H new ATOM 1255 N SER A 83 5.131 -13.016 4.885 1.00 42.10 N ATOM 1256 CA SER A 83 3.900 -13.716 4.522 1.00 34.14 C ATOM 1257 C SER A 83 2.686 -12.881 4.929 1.00 74.22 C ATOM 1258 O SER A 83 2.230 -12.931 6.070 1.00 12.22 O ATOM 1259 CB SER A 83 3.838 -15.114 5.158 1.00 32.54 C ATOM 1260 OG SER A 83 2.696 -15.839 4.717 1.00 42.15 O ATOM 0 H SER A 83 5.696 -12.733 4.085 1.00 42.10 H new ATOM 0 HA SER A 83 3.891 -13.851 3.440 1.00 34.14 H new ATOM 0 HB2 SER A 83 4.742 -15.669 4.907 1.00 32.54 H new ATOM 0 HB3 SER A 83 3.813 -15.020 6.244 1.00 32.54 H new ATOM 0 HG SER A 83 2.687 -16.724 5.139 1.00 42.15 H new ATOM 1266 N PRO A 84 2.167 -12.081 3.995 1.00 23.33 N ATOM 1267 CA PRO A 84 1.054 -11.183 4.250 1.00 73.33 C ATOM 1268 C PRO A 84 -0.298 -11.834 3.971 1.00 31.14 C ATOM 1269 O PRO A 84 -0.404 -13.058 3.876 1.00 43.35 O ATOM 1270 CB PRO A 84 1.321 -10.048 3.265 1.00 24.23 C ATOM 1271 CG PRO A 84 2.085 -10.662 2.130 1.00 65.33 C ATOM 1272 CD PRO A 84 2.619 -11.995 2.602 1.00 53.14 C ATOM 0 HA PRO A 84 0.997 -10.870 5.293 1.00 73.33 H new ATOM 0 HB2 PRO A 84 0.388 -9.607 2.915 1.00 24.23 H new ATOM 0 HB3 PRO A 84 1.894 -9.249 3.735 1.00 24.23 H new ATOM 0 HG2 PRO A 84 1.439 -10.795 1.262 1.00 65.33 H new ATOM 0 HG3 PRO A 84 2.903 -10.010 1.822 1.00 65.33 H new ATOM 0 HD2 PRO A 84 2.227 -12.817 2.003 1.00 53.14 H new ATOM 0 HD3 PRO A 84 3.706 -12.038 2.531 1.00 53.14 H new ATOM 1280 N PHE A 85 -1.330 -11.009 3.854 1.00 0.54 N ATOM 1281 CA PHE A 85 -2.668 -11.485 3.528 1.00 1.05 C ATOM 1282 C PHE A 85 -2.972 -11.194 2.064 1.00 54.44 C ATOM 1283 O PHE A 85 -2.085 -10.772 1.323 1.00 31.11 O ATOM 1284 CB PHE A 85 -3.710 -10.801 4.421 1.00 63.34 C ATOM 1285 CG PHE A 85 -3.484 -11.010 5.894 1.00 34.32 C ATOM 1286 CD1 PHE A 85 -3.892 -12.176 6.516 1.00 12.13 C ATOM 1287 CD2 PHE A 85 -2.861 -10.032 6.653 1.00 63.52 C ATOM 1288 CE1 PHE A 85 -3.684 -12.365 7.869 1.00 3.12 C ATOM 1289 CE2 PHE A 85 -2.651 -10.216 8.006 1.00 40.40 C ATOM 1290 CZ PHE A 85 -3.062 -11.384 8.614 1.00 72.21 C ATOM 0 H PHE A 85 -1.265 -9.999 3.981 1.00 0.54 H new ATOM 0 HA PHE A 85 -2.712 -12.560 3.701 1.00 1.05 H new ATOM 0 HB2 PHE A 85 -3.707 -9.731 4.211 1.00 63.34 H new ATOM 0 HB3 PHE A 85 -4.700 -11.175 4.159 1.00 63.34 H new ATOM 0 HD1 PHE A 85 -4.379 -12.947 5.938 1.00 12.13 H new ATOM 0 HD2 PHE A 85 -2.536 -9.116 6.182 1.00 63.52 H new ATOM 0 HE1 PHE A 85 -4.008 -13.280 8.343 1.00 3.12 H new ATOM 0 HE2 PHE A 85 -2.165 -9.446 8.587 1.00 40.40 H new ATOM 0 HZ PHE A 85 -2.897 -11.530 9.671 1.00 72.21 H new ATOM 1300 N ASP A 86 -4.216 -11.420 1.652 1.00 63.43 N ATOM 1301 CA ASP A 86 -4.650 -11.100 0.291 1.00 44.31 C ATOM 1302 C ASP A 86 -4.360 -9.642 -0.037 1.00 11.15 C ATOM 1303 O ASP A 86 -3.894 -9.316 -1.130 1.00 65.22 O ATOM 1304 CB ASP A 86 -6.149 -11.363 0.121 1.00 30.32 C ATOM 1305 CG ASP A 86 -6.648 -10.975 -1.261 1.00 62.30 C ATOM 1306 OD1 ASP A 86 -6.990 -9.792 -1.472 1.00 72.14 O ATOM 1307 OD2 ASP A 86 -6.707 -11.849 -2.142 1.00 24.23 O ATOM 0 H ASP A 86 -4.944 -11.824 2.241 1.00 63.43 H new ATOM 0 HA ASP A 86 -4.093 -11.742 -0.392 1.00 44.31 H new ATOM 0 HB2 ASP A 86 -6.353 -12.420 0.295 1.00 30.32 H new ATOM 0 HB3 ASP A 86 -6.702 -10.803 0.875 1.00 30.32 H new ATOM 1312 N GLY A 87 -4.638 -8.772 0.921 1.00 65.22 N ATOM 1313 CA GLY A 87 -4.403 -7.360 0.740 1.00 23.32 C ATOM 1314 C GLY A 87 -4.442 -6.607 2.050 1.00 3.42 C ATOM 1315 O GLY A 87 -4.720 -7.190 3.101 1.00 40.33 O ATOM 0 H GLY A 87 -5.026 -9.025 1.830 1.00 65.22 H new ATOM 0 HA2 GLY A 87 -3.433 -7.212 0.265 1.00 23.32 H new ATOM 0 HA3 GLY A 87 -5.154 -6.951 0.064 1.00 23.32 H new ATOM 1319 N PHE A 88 -4.159 -5.317 1.988 1.00 3.44 N ATOM 1320 CA PHE A 88 -4.153 -4.467 3.171 1.00 1.30 C ATOM 1321 C PHE A 88 -4.867 -3.158 2.883 1.00 74.04 C ATOM 1322 O PHE A 88 -4.962 -2.730 1.728 1.00 52.13 O ATOM 1323 CB PHE A 88 -2.722 -4.175 3.624 1.00 0.15 C ATOM 1324 CG PHE A 88 -2.008 -5.361 4.212 1.00 23.01 C ATOM 1325 CD1 PHE A 88 -2.207 -5.712 5.537 1.00 32.15 C ATOM 1326 CD2 PHE A 88 -1.138 -6.116 3.445 1.00 1.30 C ATOM 1327 CE1 PHE A 88 -1.549 -6.797 6.085 1.00 2.30 C ATOM 1328 CE2 PHE A 88 -0.478 -7.200 3.987 1.00 43.03 C ATOM 1329 CZ PHE A 88 -0.684 -7.541 5.309 1.00 20.43 C ATOM 0 H PHE A 88 -3.928 -4.830 1.122 1.00 3.44 H new ATOM 0 HA PHE A 88 -4.674 -4.997 3.968 1.00 1.30 H new ATOM 0 HB2 PHE A 88 -2.151 -3.807 2.772 1.00 0.15 H new ATOM 0 HB3 PHE A 88 -2.743 -3.374 4.363 1.00 0.15 H new ATOM 0 HD1 PHE A 88 -2.883 -5.132 6.148 1.00 32.15 H new ATOM 0 HD2 PHE A 88 -0.974 -5.854 2.410 1.00 1.30 H new ATOM 0 HE1 PHE A 88 -1.712 -7.062 7.119 1.00 2.30 H new ATOM 0 HE2 PHE A 88 0.199 -7.781 3.378 1.00 43.03 H new ATOM 0 HZ PHE A 88 -0.169 -8.389 5.735 1.00 20.43 H new ATOM 1339 N ARG A 89 -5.371 -2.532 3.933 1.00 63.25 N ATOM 1340 CA ARG A 89 -6.043 -1.252 3.810 1.00 74.10 C ATOM 1341 C ARG A 89 -5.104 -0.128 4.215 1.00 1.34 C ATOM 1342 O ARG A 89 -4.804 0.052 5.395 1.00 53.22 O ATOM 1343 CB ARG A 89 -7.307 -1.229 4.673 1.00 22.55 C ATOM 1344 CG ARG A 89 -8.341 -2.258 4.255 1.00 41.10 C ATOM 1345 CD ARG A 89 -8.807 -2.012 2.833 1.00 60.24 C ATOM 1346 NE ARG A 89 -9.784 -3.002 2.382 1.00 72.12 N ATOM 1347 CZ ARG A 89 -10.816 -2.705 1.598 1.00 72.04 C ATOM 1348 NH1 ARG A 89 -11.054 -1.439 1.272 1.00 62.51 N ATOM 1349 NH2 ARG A 89 -11.620 -3.667 1.160 1.00 21.33 N ATOM 0 H ARG A 89 -5.326 -2.893 4.886 1.00 63.25 H new ATOM 0 HA ARG A 89 -6.333 -1.107 2.769 1.00 74.10 H new ATOM 0 HB2 ARG A 89 -7.031 -1.404 5.713 1.00 22.55 H new ATOM 0 HB3 ARG A 89 -7.753 -0.236 4.624 1.00 22.55 H new ATOM 0 HG2 ARG A 89 -7.916 -3.259 4.335 1.00 41.10 H new ATOM 0 HG3 ARG A 89 -9.194 -2.219 4.933 1.00 41.10 H new ATOM 0 HD2 ARG A 89 -9.246 -1.017 2.766 1.00 60.24 H new ATOM 0 HD3 ARG A 89 -7.946 -2.026 2.165 1.00 60.24 H new ATOM 0 HE ARG A 89 -9.668 -3.969 2.684 1.00 72.12 H new ATOM 0 HH11 ARG A 89 -10.446 -0.699 1.623 1.00 62.51 H new ATOM 0 HH12 ARG A 89 -11.845 -1.207 0.671 1.00 62.51 H new ATOM 0 HH21 ARG A 89 -11.447 -4.637 1.425 1.00 21.33 H new ATOM 0 HH22 ARG A 89 -12.411 -3.436 0.559 1.00 21.33 H new ATOM 1363 N LEU A 90 -4.625 0.610 3.229 1.00 52.43 N ATOM 1364 CA LEU A 90 -3.716 1.714 3.483 1.00 72.31 C ATOM 1365 C LEU A 90 -4.499 2.998 3.693 1.00 24.43 C ATOM 1366 O LEU A 90 -4.922 3.644 2.733 1.00 11.13 O ATOM 1367 CB LEU A 90 -2.728 1.878 2.325 1.00 71.02 C ATOM 1368 CG LEU A 90 -1.788 0.693 2.103 1.00 42.44 C ATOM 1369 CD1 LEU A 90 -0.900 0.928 0.890 1.00 30.05 C ATOM 1370 CD2 LEU A 90 -0.941 0.445 3.344 1.00 13.02 C ATOM 0 H LEU A 90 -4.850 0.465 2.245 1.00 52.43 H new ATOM 0 HA LEU A 90 -3.150 1.494 4.388 1.00 72.31 H new ATOM 0 HB2 LEU A 90 -3.292 2.051 1.408 1.00 71.02 H new ATOM 0 HB3 LEU A 90 -2.127 2.770 2.504 1.00 71.02 H new ATOM 0 HG LEU A 90 -2.395 -0.193 1.915 1.00 42.44 H new ATOM 0 HD11 LEU A 90 -0.240 0.072 0.751 1.00 30.05 H new ATOM 0 HD12 LEU A 90 -1.521 1.054 0.003 1.00 30.05 H new ATOM 0 HD13 LEU A 90 -0.302 1.826 1.045 1.00 30.05 H new ATOM 0 HD21 LEU A 90 -0.278 -0.402 3.169 1.00 13.02 H new ATOM 0 HD22 LEU A 90 -0.347 1.332 3.562 1.00 13.02 H new ATOM 0 HD23 LEU A 90 -1.592 0.227 4.191 1.00 13.02 H new ATOM 1382 N HIS A 91 -4.709 3.346 4.953 1.00 62.10 N ATOM 1383 CA HIS A 91 -5.448 4.551 5.297 1.00 70.45 C ATOM 1384 C HIS A 91 -4.493 5.731 5.365 1.00 15.14 C ATOM 1385 O HIS A 91 -3.810 5.939 6.369 1.00 12.41 O ATOM 1386 CB HIS A 91 -6.180 4.370 6.632 1.00 12.50 C ATOM 1387 CG HIS A 91 -7.142 5.478 6.961 1.00 43.32 C ATOM 1388 ND1 HIS A 91 -6.989 6.314 8.045 1.00 14.12 N ATOM 1389 CD2 HIS A 91 -8.290 5.865 6.352 1.00 3.14 C ATOM 1390 CE1 HIS A 91 -7.995 7.166 8.087 1.00 72.51 C ATOM 1391 NE2 HIS A 91 -8.801 6.917 7.071 1.00 3.11 N ATOM 0 H HIS A 91 -4.378 2.810 5.755 1.00 62.10 H new ATOM 0 HA HIS A 91 -6.195 4.744 4.527 1.00 70.45 H new ATOM 0 HB2 HIS A 91 -6.724 3.426 6.610 1.00 12.50 H new ATOM 0 HB3 HIS A 91 -5.442 4.295 7.431 1.00 12.50 H new ATOM 0 HD1 HIS A 91 -6.218 6.280 8.712 1.00 14.12 H new ATOM 0 HD2 HIS A 91 -8.723 5.427 5.465 1.00 3.14 H new ATOM 0 HE1 HIS A 91 -8.136 7.938 8.829 1.00 72.51 H new ATOM 1400 N ILE A 92 -4.430 6.480 4.278 1.00 4.53 N ATOM 1401 CA ILE A 92 -3.523 7.606 4.171 1.00 74.41 C ATOM 1402 C ILE A 92 -4.112 8.839 4.839 1.00 74.25 C ATOM 1403 O ILE A 92 -5.129 9.369 4.394 1.00 53.11 O ATOM 1404 CB ILE A 92 -3.209 7.929 2.694 1.00 51.43 C ATOM 1405 CG1 ILE A 92 -2.590 6.711 2.003 1.00 43.50 C ATOM 1406 CG2 ILE A 92 -2.273 9.126 2.602 1.00 75.03 C ATOM 1407 CD1 ILE A 92 -2.279 6.930 0.538 1.00 64.24 C ATOM 0 H ILE A 92 -5.004 6.325 3.449 1.00 4.53 H new ATOM 0 HA ILE A 92 -2.599 7.328 4.677 1.00 74.41 H new ATOM 0 HB ILE A 92 -4.141 8.178 2.186 1.00 51.43 H new ATOM 0 HG12 ILE A 92 -1.671 6.438 2.523 1.00 43.50 H new ATOM 0 HG13 ILE A 92 -3.272 5.866 2.097 1.00 43.50 H new ATOM 0 HG21 ILE A 92 -2.060 9.342 1.555 1.00 75.03 H new ATOM 0 HG22 ILE A 92 -2.745 9.994 3.063 1.00 75.03 H new ATOM 0 HG23 ILE A 92 -1.342 8.901 3.122 1.00 75.03 H new ATOM 0 HD11 ILE A 92 -1.843 6.023 0.119 1.00 64.24 H new ATOM 0 HD12 ILE A 92 -3.197 7.172 0.003 1.00 64.24 H new ATOM 0 HD13 ILE A 92 -1.572 7.753 0.435 1.00 64.24 H new ATOM 1419 N ILE A 93 -3.481 9.277 5.917 1.00 62.11 N ATOM 1420 CA ILE A 93 -3.875 10.512 6.571 1.00 72.21 C ATOM 1421 C ILE A 93 -3.400 11.696 5.742 1.00 55.23 C ATOM 1422 O ILE A 93 -2.207 12.009 5.710 1.00 41.54 O ATOM 1423 CB ILE A 93 -3.307 10.614 8.005 1.00 30.44 C ATOM 1424 CG1 ILE A 93 -3.838 9.467 8.874 1.00 33.35 C ATOM 1425 CG2 ILE A 93 -3.648 11.961 8.632 1.00 43.20 C ATOM 1426 CD1 ILE A 93 -5.346 9.456 9.015 1.00 62.03 C ATOM 0 H ILE A 93 -2.696 8.796 6.356 1.00 62.11 H new ATOM 0 HA ILE A 93 -4.962 10.519 6.648 1.00 72.21 H new ATOM 0 HB ILE A 93 -2.222 10.533 7.947 1.00 30.44 H new ATOM 0 HG12 ILE A 93 -3.515 8.519 8.444 1.00 33.35 H new ATOM 0 HG13 ILE A 93 -3.390 9.537 9.865 1.00 33.35 H new ATOM 0 HG21 ILE A 93 -3.237 12.007 9.641 1.00 43.20 H new ATOM 0 HG22 ILE A 93 -3.220 12.762 8.029 1.00 43.20 H new ATOM 0 HG23 ILE A 93 -4.731 12.078 8.676 1.00 43.20 H new ATOM 0 HD11 ILE A 93 -5.647 8.617 9.643 1.00 62.03 H new ATOM 0 HD12 ILE A 93 -5.675 10.389 9.473 1.00 62.03 H new ATOM 0 HD13 ILE A 93 -5.803 9.354 8.031 1.00 62.03 H new ATOM 1438 N ASP A 94 -4.331 12.325 5.041 1.00 61.22 N ATOM 1439 CA ASP A 94 -4.010 13.458 4.190 1.00 40.25 C ATOM 1440 C ASP A 94 -3.561 14.653 5.006 1.00 74.40 C ATOM 1441 O ASP A 94 -4.344 15.242 5.752 1.00 10.10 O ATOM 1442 CB ASP A 94 -5.206 13.853 3.321 1.00 55.15 C ATOM 1443 CG ASP A 94 -5.277 13.066 2.031 1.00 62.32 C ATOM 1444 OD1 ASP A 94 -4.552 13.410 1.082 1.00 12.11 O ATOM 1445 OD2 ASP A 94 -6.065 12.099 1.952 1.00 32.50 O ATOM 0 H ASP A 94 -5.318 12.068 5.046 1.00 61.22 H new ATOM 0 HA ASP A 94 -3.189 13.148 3.543 1.00 40.25 H new ATOM 0 HB2 ASP A 94 -6.126 13.701 3.886 1.00 55.15 H new ATOM 0 HB3 ASP A 94 -5.146 14.917 3.090 1.00 55.15 H new ATOM 1450 N LEU A 95 -2.293 15.009 4.855 1.00 62.25 N ATOM 1451 CA LEU A 95 -1.750 16.208 5.478 1.00 3.03 C ATOM 1452 C LEU A 95 -2.039 17.403 4.574 1.00 73.43 C ATOM 1453 O LEU A 95 -1.515 18.499 4.763 1.00 12.40 O ATOM 1454 CB LEU A 95 -0.241 16.051 5.710 1.00 50.43 C ATOM 1455 CG LEU A 95 0.278 16.537 7.070 1.00 25.11 C ATOM 1456 CD1 LEU A 95 0.176 18.051 7.194 1.00 51.42 C ATOM 1457 CD2 LEU A 95 -0.485 15.861 8.200 1.00 33.30 C ATOM 0 H LEU A 95 -1.617 14.481 4.303 1.00 62.25 H new ATOM 0 HA LEU A 95 -2.220 16.367 6.448 1.00 3.03 H new ATOM 0 HB2 LEU A 95 0.017 14.998 5.599 1.00 50.43 H new ATOM 0 HB3 LEU A 95 0.287 16.593 4.926 1.00 50.43 H new ATOM 0 HG LEU A 95 1.331 16.266 7.142 1.00 25.11 H new ATOM 0 HD11 LEU A 95 0.552 18.362 8.169 1.00 51.42 H new ATOM 0 HD12 LEU A 95 0.769 18.521 6.409 1.00 51.42 H new ATOM 0 HD13 LEU A 95 -0.866 18.355 7.093 1.00 51.42 H new ATOM 0 HD21 LEU A 95 -0.106 16.216 9.158 1.00 33.30 H new ATOM 0 HD22 LEU A 95 -1.545 16.101 8.118 1.00 33.30 H new ATOM 0 HD23 LEU A 95 -0.352 14.781 8.134 1.00 33.30 H new ATOM 1469 N ASP A 96 -2.867 17.156 3.569 1.00 0.41 N ATOM 1470 CA ASP A 96 -3.345 18.194 2.676 1.00 50.22 C ATOM 1471 C ASP A 96 -4.802 18.497 3.015 1.00 5.41 C ATOM 1472 O ASP A 96 -5.716 17.836 2.520 1.00 31.15 O ATOM 1473 CB ASP A 96 -3.208 17.742 1.216 1.00 70.22 C ATOM 1474 CG ASP A 96 -3.575 18.822 0.221 1.00 52.30 C ATOM 1475 OD1 ASP A 96 -2.736 19.716 -0.029 1.00 40.31 O ATOM 1476 OD2 ASP A 96 -4.689 18.771 -0.336 1.00 0.22 O ATOM 0 H ASP A 96 -3.226 16.226 3.352 1.00 0.41 H new ATOM 0 HA ASP A 96 -2.749 19.098 2.802 1.00 50.22 H new ATOM 0 HB2 ASP A 96 -2.181 17.424 1.036 1.00 70.22 H new ATOM 0 HB3 ASP A 96 -3.844 16.873 1.050 1.00 70.22 H new ATOM 1481 N PRO A 97 -5.031 19.467 3.912 1.00 70.44 N ATOM 1482 CA PRO A 97 -6.355 19.777 4.440 1.00 23.24 C ATOM 1483 C PRO A 97 -7.177 20.630 3.481 1.00 33.12 C ATOM 1484 O PRO A 97 -6.925 21.854 3.408 1.00 39.63 O ATOM 1485 CB PRO A 97 -6.060 20.546 5.741 1.00 31.34 C ATOM 1486 CG PRO A 97 -4.568 20.626 5.854 1.00 35.01 C ATOM 1487 CD PRO A 97 -4.018 20.354 4.485 1.00 35.31 C ATOM 1488 OXT PRO A 97 -8.075 20.076 2.814 1.00 39.63 O ATOM 0 HA PRO A 97 -6.950 18.877 4.595 1.00 23.24 H new ATOM 0 HB2 PRO A 97 -6.502 21.542 5.712 1.00 31.34 H new ATOM 0 HB3 PRO A 97 -6.488 20.032 6.602 1.00 31.34 H new ATOM 0 HG2 PRO A 97 -4.259 21.610 6.207 1.00 35.01 H new ATOM 0 HG3 PRO A 97 -4.194 19.897 6.573 1.00 35.01 H new ATOM 0 HD2 PRO A 97 -3.903 21.269 3.904 1.00 35.31 H new ATOM 0 HD3 PRO A 97 -3.038 19.878 4.528 1.00 35.31 H new TER 1496 PRO A 97