USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 529 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 36 CYS SG : rot 154:sc= 0.251 USER MOD Set 1.2: A 40 ASN : amide:sc= -0.0291 X(o=0.22,f=0.23) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.139 (180deg=-0.628) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -34:sc= 0.333 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= -0.0656 (180deg=-0.415) USER MOD Single : A 8 GLN :FLIP amide:sc= -4.76! F(o=-5.9,f=-4.8!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 13 HIS : no HD1:sc= 0.0234 K(o=0.023,f=-0.88) USER MOD Single : A 16 CYS SG : rot 53:sc= 0.0818 USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0414 (180deg=-0.295) USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= -0.0245 (180deg=-0.143) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.00319 USER MOD Single : A 24 CYS SG : rot -3:sc= 0.019 USER MOD Single : A 26 CYS SG : rot 180:sc= -2.28! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot -27:sc= 1 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot -140:sc= 0.0433 USER MOD Single : A 48 LYS NZ :NH3+ -137:sc= -1.23 (180deg=-3.74!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot -62:sc= 0.0169 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.14 USER MOD Single : A 58 MET CE :methyl -151:sc= -0.359 (180deg=-2.15) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.0557 (180deg=-0.278) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.250 12.767 -24.972 1.00 0.00 N ATOM 2 CA MET A 1 25.309 12.819 -26.012 1.00 0.00 C ATOM 3 C MET A 1 26.646 12.349 -25.446 1.00 0.00 C ATOM 4 O MET A 1 27.182 11.323 -25.865 1.00 0.00 O ATOM 5 CB MET A 1 25.445 14.242 -26.556 1.00 0.00 C ATOM 6 CG MET A 1 26.393 14.355 -27.738 1.00 0.00 C ATOM 7 SD MET A 1 26.507 16.037 -28.380 1.00 0.00 S ATOM 8 CE MET A 1 27.189 16.899 -26.966 1.00 0.00 C ATOM 0 H1 MET A 1 23.349 13.091 -25.378 1.00 0.00 H new ATOM 0 H2 MET A 1 24.145 11.790 -24.632 1.00 0.00 H new ATOM 0 H3 MET A 1 24.513 13.384 -24.177 1.00 0.00 H new ATOM 0 HA MET A 1 25.023 12.152 -26.825 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.461 14.603 -26.855 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.795 14.895 -25.757 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.385 14.017 -27.437 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.057 13.689 -28.533 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.611 17.851 -27.289 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.400 17.081 -26.236 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.971 16.291 -26.511 1.00 0.00 H new ATOM 20 N THR A 2 27.178 13.109 -24.494 1.00 0.00 N ATOM 21 CA THR A 2 28.449 12.771 -23.867 1.00 0.00 C ATOM 22 C THR A 2 28.252 12.418 -22.396 1.00 0.00 C ATOM 23 O THR A 2 29.165 11.920 -21.737 1.00 0.00 O ATOM 24 CB THR A 2 29.457 13.932 -23.974 1.00 0.00 C ATOM 25 OG1 THR A 2 30.710 13.548 -23.397 1.00 0.00 O ATOM 26 CG2 THR A 2 28.931 15.174 -23.269 1.00 0.00 C ATOM 0 H THR A 2 26.748 13.963 -24.140 1.00 0.00 H new ATOM 0 HA THR A 2 28.847 11.907 -24.399 1.00 0.00 H new ATOM 0 HB THR A 2 29.598 14.164 -25.030 1.00 0.00 H new ATOM 0 HG1 THR A 2 30.551 12.948 -22.639 1.00 0.00 H new ATOM 0 HG21 THR A 2 29.660 15.979 -23.358 1.00 0.00 H new ATOM 0 HG22 THR A 2 27.992 15.482 -23.728 1.00 0.00 H new ATOM 0 HG23 THR A 2 28.764 14.951 -22.215 1.00 0.00 H new ATOM 34 N GLU A 3 27.049 12.681 -21.890 1.00 0.00 N ATOM 35 CA GLU A 3 26.720 12.396 -20.498 1.00 0.00 C ATOM 36 C GLU A 3 25.335 11.766 -20.384 1.00 0.00 C ATOM 37 O GLU A 3 24.326 12.414 -20.663 1.00 0.00 O ATOM 38 CB GLU A 3 26.779 13.680 -19.666 1.00 0.00 C ATOM 39 CG GLU A 3 26.472 13.465 -18.193 1.00 0.00 C ATOM 40 CD GLU A 3 27.475 12.553 -17.516 1.00 0.00 C ATOM 41 OE1 GLU A 3 27.260 11.323 -17.526 1.00 0.00 O ATOM 42 OE2 GLU A 3 28.476 13.069 -16.976 1.00 0.00 O ATOM 0 H GLU A 3 26.285 13.092 -22.426 1.00 0.00 H new ATOM 0 HA GLU A 3 27.454 11.688 -20.114 1.00 0.00 H new ATOM 0 HB2 GLU A 3 27.772 14.119 -19.761 1.00 0.00 H new ATOM 0 HB3 GLU A 3 26.071 14.401 -20.075 1.00 0.00 H new ATOM 0 HG2 GLU A 3 26.461 14.429 -17.684 1.00 0.00 H new ATOM 0 HG3 GLU A 3 25.474 13.040 -18.092 1.00 0.00 H new ATOM 49 N THR A 4 25.301 10.500 -19.972 1.00 0.00 N ATOM 50 CA THR A 4 24.047 9.766 -19.814 1.00 0.00 C ATOM 51 C THR A 4 23.338 9.575 -21.153 1.00 0.00 C ATOM 52 O THR A 4 23.373 10.451 -22.018 1.00 0.00 O ATOM 53 CB THR A 4 23.093 10.479 -18.836 1.00 0.00 C ATOM 54 OG1 THR A 4 23.770 10.756 -17.604 1.00 0.00 O ATOM 55 CG2 THR A 4 21.863 9.628 -18.559 1.00 0.00 C ATOM 0 H THR A 4 26.134 9.958 -19.740 1.00 0.00 H new ATOM 0 HA THR A 4 24.309 8.790 -19.407 1.00 0.00 H new ATOM 0 HB THR A 4 22.774 11.414 -19.296 1.00 0.00 H new ATOM 0 HG1 THR A 4 23.157 11.211 -16.989 1.00 0.00 H new ATOM 0 HG21 THR A 4 21.206 10.153 -17.866 1.00 0.00 H new ATOM 0 HG22 THR A 4 21.332 9.441 -19.492 1.00 0.00 H new ATOM 0 HG23 THR A 4 22.169 8.679 -18.120 1.00 0.00 H new ATOM 63 N ASP A 5 22.697 8.418 -21.313 1.00 0.00 N ATOM 64 CA ASP A 5 21.968 8.095 -22.540 1.00 0.00 C ATOM 65 C ASP A 5 22.912 7.985 -23.735 1.00 0.00 C ATOM 66 O ASP A 5 24.011 8.540 -23.729 1.00 0.00 O ATOM 67 CB ASP A 5 20.893 9.151 -22.816 1.00 0.00 C ATOM 68 CG ASP A 5 20.025 8.796 -24.006 1.00 0.00 C ATOM 69 OD1 ASP A 5 19.019 8.083 -23.815 1.00 0.00 O ATOM 70 OD2 ASP A 5 20.352 9.234 -25.129 1.00 0.00 O ATOM 0 H ASP A 5 22.668 7.685 -20.604 1.00 0.00 H new ATOM 0 HA ASP A 5 21.489 7.127 -22.396 1.00 0.00 H new ATOM 0 HB2 ASP A 5 20.265 9.265 -21.933 1.00 0.00 H new ATOM 0 HB3 ASP A 5 21.371 10.114 -22.993 1.00 0.00 H new ATOM 75 N LYS A 6 22.472 7.261 -24.761 1.00 0.00 N ATOM 76 CA LYS A 6 23.269 7.076 -25.968 1.00 0.00 C ATOM 77 C LYS A 6 22.448 7.412 -27.211 1.00 0.00 C ATOM 78 O LYS A 6 21.219 7.456 -27.157 1.00 0.00 O ATOM 79 CB LYS A 6 23.785 5.639 -26.053 1.00 0.00 C ATOM 80 CG LYS A 6 22.680 4.594 -26.066 1.00 0.00 C ATOM 81 CD LYS A 6 23.244 3.182 -26.112 1.00 0.00 C ATOM 82 CE LYS A 6 23.965 2.824 -24.821 1.00 0.00 C ATOM 83 NZ LYS A 6 24.488 1.430 -24.844 1.00 0.00 N ATOM 0 H LYS A 6 21.566 6.793 -24.779 1.00 0.00 H new ATOM 0 HA LYS A 6 24.122 7.753 -25.920 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.386 5.531 -26.956 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.444 5.448 -25.206 1.00 0.00 H new ATOM 0 HG2 LYS A 6 22.059 4.709 -25.178 1.00 0.00 H new ATOM 0 HG3 LYS A 6 22.035 4.757 -26.929 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.435 2.472 -26.287 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.934 3.092 -26.951 1.00 0.00 H new ATOM 0 HE2 LYS A 6 24.790 3.518 -24.662 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.282 2.942 -23.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 24.972 1.226 -23.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.698 0.765 -24.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 25.159 1.324 -25.631 1.00 0.00 H new ATOM 97 N LYS A 7 23.133 7.646 -28.327 1.00 0.00 N ATOM 98 CA LYS A 7 22.460 7.984 -29.576 1.00 0.00 C ATOM 99 C LYS A 7 22.167 6.736 -30.405 1.00 0.00 C ATOM 100 O LYS A 7 21.514 6.814 -31.446 1.00 0.00 O ATOM 101 CB LYS A 7 23.304 8.969 -30.389 1.00 0.00 C ATOM 102 CG LYS A 7 24.691 8.450 -30.734 1.00 0.00 C ATOM 103 CD LYS A 7 25.490 9.474 -31.525 1.00 0.00 C ATOM 104 CE LYS A 7 25.818 10.698 -30.684 1.00 0.00 C ATOM 105 NZ LYS A 7 26.567 10.339 -29.449 1.00 0.00 N ATOM 0 H LYS A 7 24.150 7.608 -28.391 1.00 0.00 H new ATOM 0 HA LYS A 7 21.509 8.454 -29.324 1.00 0.00 H new ATOM 0 HB2 LYS A 7 22.776 9.209 -31.312 1.00 0.00 H new ATOM 0 HB3 LYS A 7 23.403 9.898 -29.827 1.00 0.00 H new ATOM 0 HG2 LYS A 7 25.225 8.200 -29.817 1.00 0.00 H new ATOM 0 HG3 LYS A 7 24.603 7.530 -31.313 1.00 0.00 H new ATOM 0 HD2 LYS A 7 26.414 9.019 -31.882 1.00 0.00 H new ATOM 0 HD3 LYS A 7 24.923 9.778 -32.405 1.00 0.00 H new ATOM 0 HE2 LYS A 7 26.408 11.398 -31.276 1.00 0.00 H new ATOM 0 HE3 LYS A 7 24.895 11.210 -30.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 27.017 11.190 -29.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 25.910 9.940 -28.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 27.298 9.635 -29.678 1.00 0.00 H new ATOM 119 N GLN A 8 22.650 5.586 -29.942 1.00 0.00 N ATOM 120 CA GLN A 8 22.428 4.329 -30.649 1.00 0.00 C ATOM 121 C GLN A 8 20.958 3.926 -30.588 1.00 0.00 C ATOM 122 O GLN A 8 20.263 4.224 -29.617 1.00 0.00 O ATOM 123 CB GLN A 8 23.294 3.213 -30.056 1.00 0.00 C ATOM 124 CG GLN A 8 24.789 3.446 -30.207 1.00 0.00 C ATOM 125 CD GLN A 8 25.332 4.449 -29.210 1.00 0.00 C ATOM 126 OE1 GLN A 8 25.373 5.715 -29.605 1.00 0.00 O flip ATOM 127 NE2 GLN A 8 25.719 4.088 -28.098 1.00 0.00 N flip ATOM 0 H GLN A 8 23.195 5.499 -29.084 1.00 0.00 H new ATOM 0 HA GLN A 8 22.710 4.479 -31.691 1.00 0.00 H new ATOM 0 HB2 GLN A 8 23.058 3.107 -28.997 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.033 2.270 -30.536 1.00 0.00 H new ATOM 0 HG2 GLN A 8 25.314 2.499 -30.084 1.00 0.00 H new ATOM 0 HG3 GLN A 8 24.997 3.797 -31.218 1.00 0.00 H new ATOM 0 HE21 GLN A 8 25.669 3.104 -27.835 1.00 0.00 H new ATOM 0 HE22 GLN A 8 26.089 4.773 -27.440 1.00 0.00 H new ATOM 136 N GLU A 9 20.490 3.247 -31.632 1.00 0.00 N ATOM 137 CA GLU A 9 19.102 2.801 -31.695 1.00 0.00 C ATOM 138 C GLU A 9 19.027 1.295 -31.930 1.00 0.00 C ATOM 139 O GLU A 9 19.220 0.821 -33.051 1.00 0.00 O ATOM 140 CB GLU A 9 18.354 3.545 -32.804 1.00 0.00 C ATOM 141 CG GLU A 9 16.881 3.177 -32.899 1.00 0.00 C ATOM 142 CD GLU A 9 16.155 3.957 -33.977 1.00 0.00 C ATOM 143 OE1 GLU A 9 16.123 3.485 -35.133 1.00 0.00 O ATOM 144 OE2 GLU A 9 15.617 5.041 -33.665 1.00 0.00 O ATOM 0 H GLU A 9 21.051 2.994 -32.445 1.00 0.00 H new ATOM 0 HA GLU A 9 18.629 3.024 -30.739 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.441 4.618 -32.633 1.00 0.00 H new ATOM 0 HB3 GLU A 9 18.835 3.334 -33.759 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.789 2.110 -33.103 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.402 3.360 -31.937 1.00 0.00 H new ATOM 151 N GLN A 10 18.750 0.548 -30.866 1.00 0.00 N ATOM 152 CA GLN A 10 18.650 -0.905 -30.952 1.00 0.00 C ATOM 153 C GLN A 10 17.910 -1.471 -29.743 1.00 0.00 C ATOM 154 O GLN A 10 18.210 -1.119 -28.602 1.00 0.00 O ATOM 155 CB GLN A 10 20.045 -1.527 -31.051 1.00 0.00 C ATOM 156 CG GLN A 10 20.029 -3.042 -31.180 1.00 0.00 C ATOM 157 CD GLN A 10 21.418 -3.629 -31.342 1.00 0.00 C ATOM 158 OE1 GLN A 10 21.914 -3.784 -32.458 1.00 0.00 O ATOM 159 NE2 GLN A 10 22.054 -3.959 -30.224 1.00 0.00 N ATOM 0 H GLN A 10 18.590 0.926 -29.932 1.00 0.00 H new ATOM 0 HA GLN A 10 18.085 -1.155 -31.850 1.00 0.00 H new ATOM 0 HB2 GLN A 10 20.562 -1.103 -31.912 1.00 0.00 H new ATOM 0 HB3 GLN A 10 20.620 -1.252 -30.167 1.00 0.00 H new ATOM 0 HG2 GLN A 10 19.557 -3.473 -30.297 1.00 0.00 H new ATOM 0 HG3 GLN A 10 19.418 -3.323 -32.037 1.00 0.00 H new ATOM 0 HE21 GLN A 10 21.605 -3.813 -29.320 1.00 0.00 H new ATOM 0 HE22 GLN A 10 22.992 -4.358 -30.269 1.00 0.00 H new ATOM 168 N GLU A 11 16.943 -2.347 -30.004 1.00 0.00 N ATOM 169 CA GLU A 11 16.156 -2.968 -28.943 1.00 0.00 C ATOM 170 C GLU A 11 15.462 -1.915 -28.083 1.00 0.00 C ATOM 171 O GLU A 11 15.089 -2.181 -26.940 1.00 0.00 O ATOM 172 CB GLU A 11 17.046 -3.851 -28.063 1.00 0.00 C ATOM 173 CG GLU A 11 17.728 -4.976 -28.824 1.00 0.00 C ATOM 174 CD GLU A 11 16.742 -5.913 -29.491 1.00 0.00 C ATOM 175 OE1 GLU A 11 16.309 -6.885 -28.837 1.00 0.00 O ATOM 176 OE2 GLU A 11 16.401 -5.674 -30.670 1.00 0.00 O ATOM 0 H GLU A 11 16.685 -2.643 -30.945 1.00 0.00 H new ATOM 0 HA GLU A 11 15.392 -3.586 -29.415 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.807 -3.230 -27.591 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.442 -4.279 -27.263 1.00 0.00 H new ATOM 0 HG2 GLU A 11 18.387 -4.550 -29.581 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.356 -5.544 -28.138 1.00 0.00 H new ATOM 183 N ASN A 12 15.284 -0.721 -28.642 1.00 0.00 N ATOM 184 CA ASN A 12 14.632 0.369 -27.924 1.00 0.00 C ATOM 185 C ASN A 12 13.170 0.036 -27.645 1.00 0.00 C ATOM 186 O ASN A 12 12.595 0.499 -26.660 1.00 0.00 O ATOM 187 CB ASN A 12 14.728 1.668 -28.727 1.00 0.00 C ATOM 188 CG ASN A 12 14.107 2.844 -27.998 1.00 0.00 C ATOM 189 OD1 ASN A 12 12.923 3.137 -28.163 1.00 0.00 O ATOM 190 ND2 ASN A 12 14.906 3.526 -27.187 1.00 0.00 N ATOM 0 H ASN A 12 15.582 -0.484 -29.588 1.00 0.00 H new ATOM 0 HA ASN A 12 15.145 0.502 -26.971 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.775 1.886 -28.937 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.231 1.536 -29.688 1.00 0.00 H new ATOM 0 HD21 ASN A 12 14.544 4.328 -26.671 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.882 3.248 -27.080 1.00 0.00 H new ATOM 197 N HIS A 13 12.577 -0.773 -28.517 1.00 0.00 N ATOM 198 CA HIS A 13 11.180 -1.167 -28.370 1.00 0.00 C ATOM 199 C HIS A 13 11.059 -2.497 -27.627 1.00 0.00 C ATOM 200 O HIS A 13 12.042 -3.007 -27.086 1.00 0.00 O ATOM 201 CB HIS A 13 10.515 -1.272 -29.745 1.00 0.00 C ATOM 202 CG HIS A 13 11.198 -2.232 -30.671 1.00 0.00 C ATOM 203 ND1 HIS A 13 12.266 -1.877 -31.468 1.00 0.00 N ATOM 204 CD2 HIS A 13 10.962 -3.542 -30.923 1.00 0.00 C ATOM 205 CE1 HIS A 13 12.655 -2.925 -32.172 1.00 0.00 C ATOM 206 NE2 HIS A 13 11.881 -3.946 -31.859 1.00 0.00 N ATOM 0 H HIS A 13 13.042 -1.169 -29.334 1.00 0.00 H new ATOM 0 HA HIS A 13 10.672 -0.402 -27.783 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.478 -1.581 -29.615 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.498 -0.285 -30.207 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.195 -4.154 -30.472 1.00 0.00 H new ATOM 0 HE1 HIS A 13 13.468 -2.943 -32.883 1.00 0.00 H new ATOM 0 HE2 HIS A 13 11.954 -4.885 -32.250 1.00 0.00 H new ATOM 215 N ALA A 14 9.846 -3.047 -27.603 1.00 0.00 N ATOM 216 CA ALA A 14 9.584 -4.316 -26.928 1.00 0.00 C ATOM 217 C ALA A 14 9.928 -4.236 -25.444 1.00 0.00 C ATOM 218 O ALA A 14 10.095 -5.260 -24.779 1.00 0.00 O ATOM 219 CB ALA A 14 10.364 -5.443 -27.593 1.00 0.00 C ATOM 0 H ALA A 14 9.026 -2.631 -28.045 1.00 0.00 H new ATOM 0 HA ALA A 14 8.518 -4.527 -27.014 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.158 -6.381 -27.078 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.062 -5.528 -28.637 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.431 -5.227 -27.540 1.00 0.00 H new ATOM 225 N GLU A 15 10.022 -3.015 -24.927 1.00 0.00 N ATOM 226 CA GLU A 15 10.349 -2.801 -23.521 1.00 0.00 C ATOM 227 C GLU A 15 9.173 -3.176 -22.623 1.00 0.00 C ATOM 228 O GLU A 15 8.121 -2.537 -22.665 1.00 0.00 O ATOM 229 CB GLU A 15 10.739 -1.341 -23.283 1.00 0.00 C ATOM 230 CG GLU A 15 11.174 -1.049 -21.856 1.00 0.00 C ATOM 231 CD GLU A 15 12.425 -1.812 -21.460 1.00 0.00 C ATOM 232 OE1 GLU A 15 12.292 -2.944 -20.950 1.00 0.00 O ATOM 233 OE2 GLU A 15 13.535 -1.277 -21.661 1.00 0.00 O ATOM 0 H GLU A 15 9.876 -2.158 -25.461 1.00 0.00 H new ATOM 0 HA GLU A 15 11.194 -3.443 -23.270 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.549 -1.075 -23.962 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.892 -0.703 -23.533 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.355 0.020 -21.747 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.364 -1.307 -21.173 1.00 0.00 H new ATOM 240 N CYS A 16 9.359 -4.215 -21.816 1.00 0.00 N ATOM 241 CA CYS A 16 8.316 -4.674 -20.906 1.00 0.00 C ATOM 242 C CYS A 16 8.673 -4.340 -19.460 1.00 0.00 C ATOM 243 O CYS A 16 9.847 -4.188 -19.123 1.00 0.00 O ATOM 244 CB CYS A 16 8.107 -6.182 -21.057 1.00 0.00 C ATOM 245 SG CYS A 16 7.612 -6.694 -22.719 1.00 0.00 S ATOM 0 H CYS A 16 10.223 -4.756 -21.774 1.00 0.00 H new ATOM 0 HA CYS A 16 7.390 -4.159 -21.162 1.00 0.00 H new ATOM 0 HB2 CYS A 16 9.031 -6.695 -20.790 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.346 -6.506 -20.347 1.00 0.00 H new ATOM 0 HG CYS A 16 8.456 -6.222 -23.588 1.00 0.00 H new ATOM 251 N GLU A 17 7.651 -4.228 -18.613 1.00 0.00 N ATOM 252 CA GLU A 17 7.848 -3.911 -17.201 1.00 0.00 C ATOM 253 C GLU A 17 8.557 -2.568 -17.031 1.00 0.00 C ATOM 254 O GLU A 17 9.771 -2.468 -17.211 1.00 0.00 O ATOM 255 CB GLU A 17 8.650 -5.017 -16.512 1.00 0.00 C ATOM 256 CG GLU A 17 7.987 -6.384 -16.576 1.00 0.00 C ATOM 257 CD GLU A 17 8.814 -7.465 -15.909 1.00 0.00 C ATOM 258 OE1 GLU A 17 8.634 -7.685 -14.693 1.00 0.00 O ATOM 259 OE2 GLU A 17 9.642 -8.092 -16.603 1.00 0.00 O ATOM 0 H GLU A 17 6.675 -4.353 -18.882 1.00 0.00 H new ATOM 0 HA GLU A 17 6.865 -3.841 -16.734 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.636 -5.079 -16.973 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.803 -4.746 -15.467 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.009 -6.332 -16.097 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.817 -6.653 -17.619 1.00 0.00 H new ATOM 266 N ASP A 18 7.789 -1.538 -16.685 1.00 0.00 N ATOM 267 CA ASP A 18 8.343 -0.202 -16.490 1.00 0.00 C ATOM 268 C ASP A 18 8.533 0.099 -15.006 1.00 0.00 C ATOM 269 O ASP A 18 8.052 -0.640 -14.147 1.00 0.00 O ATOM 270 CB ASP A 18 7.426 0.849 -17.120 1.00 0.00 C ATOM 271 CG ASP A 18 7.133 0.560 -18.579 1.00 0.00 C ATOM 272 OD1 ASP A 18 7.909 1.020 -19.442 1.00 0.00 O ATOM 273 OD2 ASP A 18 6.126 -0.126 -18.857 1.00 0.00 O ATOM 0 H ASP A 18 6.782 -1.603 -16.534 1.00 0.00 H new ATOM 0 HA ASP A 18 9.317 -0.166 -16.977 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.489 0.889 -16.565 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.890 1.831 -17.033 1.00 0.00 H new ATOM 278 N LYS A 19 9.235 1.190 -14.713 1.00 0.00 N ATOM 279 CA LYS A 19 9.488 1.588 -13.331 1.00 0.00 C ATOM 280 C LYS A 19 8.275 2.329 -12.760 1.00 0.00 C ATOM 281 O LYS A 19 7.910 3.397 -13.253 1.00 0.00 O ATOM 282 CB LYS A 19 10.734 2.478 -13.258 1.00 0.00 C ATOM 283 CG LYS A 19 11.457 2.423 -11.918 1.00 0.00 C ATOM 284 CD LYS A 19 10.681 3.143 -10.827 1.00 0.00 C ATOM 285 CE LYS A 19 11.416 3.098 -9.497 1.00 0.00 C ATOM 286 NZ LYS A 19 11.654 1.701 -9.042 1.00 0.00 N ATOM 0 H LYS A 19 9.638 1.813 -15.412 1.00 0.00 H new ATOM 0 HA LYS A 19 9.660 0.692 -12.735 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.427 2.181 -14.045 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.444 3.509 -13.461 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.609 1.383 -11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.444 2.873 -12.019 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.519 4.181 -11.119 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.698 2.685 -10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.370 3.617 -9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.837 3.632 -8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.953 1.706 -8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.777 1.151 -9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.399 1.268 -9.624 1.00 0.00 H new ATOM 300 N PRO A 20 7.633 1.776 -11.709 1.00 0.00 N ATOM 301 CA PRO A 20 6.456 2.399 -11.088 1.00 0.00 C ATOM 302 C PRO A 20 6.787 3.723 -10.408 1.00 0.00 C ATOM 303 O PRO A 20 7.930 4.176 -10.429 1.00 0.00 O ATOM 304 CB PRO A 20 6.004 1.367 -10.052 1.00 0.00 C ATOM 305 CG PRO A 20 7.220 0.560 -9.760 1.00 0.00 C ATOM 306 CD PRO A 20 8.000 0.512 -11.042 1.00 0.00 C ATOM 0 HA PRO A 20 5.693 2.642 -11.827 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.625 1.851 -9.152 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.200 0.743 -10.441 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.808 1.014 -8.962 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.953 -0.443 -9.428 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.073 0.451 -10.858 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.730 -0.355 -11.645 1.00 0.00 H new ATOM 314 N LYS A 21 5.776 4.341 -9.805 1.00 0.00 N ATOM 315 CA LYS A 21 5.959 5.613 -9.114 1.00 0.00 C ATOM 316 C LYS A 21 5.147 5.653 -7.820 1.00 0.00 C ATOM 317 O LYS A 21 4.033 6.180 -7.798 1.00 0.00 O ATOM 318 CB LYS A 21 5.555 6.778 -10.020 1.00 0.00 C ATOM 319 CG LYS A 21 6.407 6.905 -11.272 1.00 0.00 C ATOM 320 CD LYS A 21 5.990 8.104 -12.107 1.00 0.00 C ATOM 321 CE LYS A 21 6.880 8.276 -13.327 1.00 0.00 C ATOM 322 NZ LYS A 21 6.815 7.098 -14.235 1.00 0.00 N ATOM 0 H LYS A 21 4.822 3.982 -9.781 1.00 0.00 H new ATOM 0 HA LYS A 21 7.015 5.710 -8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.512 6.654 -10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.619 7.706 -9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.456 7.002 -10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.319 5.996 -11.868 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.955 7.983 -12.426 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.032 9.006 -11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.579 9.171 -13.872 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.910 8.430 -13.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.297 7.322 -15.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.282 6.286 -13.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.820 6.863 -14.428 1.00 0.00 H new ATOM 336 N PRO A 22 5.688 5.086 -6.725 1.00 0.00 N ATOM 337 CA PRO A 22 5.013 5.062 -5.427 1.00 0.00 C ATOM 338 C PRO A 22 5.138 6.393 -4.690 1.00 0.00 C ATOM 339 O PRO A 22 5.158 6.431 -3.459 1.00 0.00 O ATOM 340 CB PRO A 22 5.742 3.955 -4.647 1.00 0.00 C ATOM 341 CG PRO A 22 6.772 3.392 -5.579 1.00 0.00 C ATOM 342 CD PRO A 22 6.989 4.417 -6.655 1.00 0.00 C ATOM 0 HA PRO A 22 3.943 4.885 -5.535 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.209 4.356 -3.748 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.044 3.182 -4.326 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.702 3.185 -5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.432 2.449 -6.006 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.789 5.112 -6.398 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.260 3.956 -7.605 1.00 0.00 H new ATOM 350 N CYS A 23 5.220 7.479 -5.452 1.00 0.00 N ATOM 351 CA CYS A 23 5.348 8.814 -4.878 1.00 0.00 C ATOM 352 C CYS A 23 4.215 9.107 -3.900 1.00 0.00 C ATOM 353 O CYS A 23 4.456 9.452 -2.743 1.00 0.00 O ATOM 354 CB CYS A 23 5.363 9.867 -5.986 1.00 0.00 C ATOM 355 SG CYS A 23 6.718 9.675 -7.169 1.00 0.00 S ATOM 0 H CYS A 23 5.200 7.460 -6.472 1.00 0.00 H new ATOM 0 HA CYS A 23 6.290 8.853 -4.331 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.416 9.826 -6.525 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.429 10.856 -5.532 1.00 0.00 H new ATOM 0 HG CYS A 23 6.644 10.610 -8.069 1.00 0.00 H new ATOM 361 N CYS A 24 2.979 8.970 -4.371 1.00 0.00 N ATOM 362 CA CYS A 24 1.813 9.225 -3.533 1.00 0.00 C ATOM 363 C CYS A 24 0.712 8.202 -3.797 1.00 0.00 C ATOM 364 O CYS A 24 0.890 7.281 -4.593 1.00 0.00 O ATOM 365 CB CYS A 24 1.284 10.639 -3.781 1.00 0.00 C ATOM 366 SG CYS A 24 2.461 11.947 -3.366 1.00 0.00 S ATOM 0 H CYS A 24 2.760 8.685 -5.325 1.00 0.00 H new ATOM 0 HA CYS A 24 2.120 9.135 -2.491 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.007 10.733 -4.831 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.375 10.784 -3.197 1.00 0.00 H new ATOM 0 HG CYS A 24 3.535 11.419 -2.857 1.00 0.00 H new ATOM 372 N VAL A 25 -0.419 8.380 -3.107 1.00 0.00 N ATOM 373 CA VAL A 25 -1.582 7.495 -3.237 1.00 0.00 C ATOM 374 C VAL A 25 -1.191 6.016 -3.247 1.00 0.00 C ATOM 375 O VAL A 25 -0.053 5.657 -2.943 1.00 0.00 O ATOM 376 CB VAL A 25 -2.416 7.823 -4.497 1.00 0.00 C ATOM 377 CG1 VAL A 25 -2.750 9.305 -4.541 1.00 0.00 C ATOM 378 CG2 VAL A 25 -1.699 7.396 -5.770 1.00 0.00 C ATOM 0 H VAL A 25 -0.555 9.142 -2.442 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.195 7.677 -2.354 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.345 7.256 -4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.337 9.519 -5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.325 9.575 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.828 9.885 -4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.315 7.642 -6.635 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.745 7.919 -5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.522 6.321 -5.745 1.00 0.00 H new ATOM 388 N CYS A 26 -2.154 5.160 -3.574 1.00 0.00 N ATOM 389 CA CYS A 26 -1.916 3.722 -3.624 1.00 0.00 C ATOM 390 C CYS A 26 -2.948 3.036 -4.513 1.00 0.00 C ATOM 391 O CYS A 26 -4.093 2.832 -4.111 1.00 0.00 O ATOM 392 CB CYS A 26 -1.958 3.126 -2.215 1.00 0.00 C ATOM 393 SG CYS A 26 -1.288 1.450 -2.107 1.00 0.00 S ATOM 0 H CYS A 26 -3.107 5.438 -3.808 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.926 3.555 -4.049 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.399 3.774 -1.540 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.990 3.117 -1.866 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.363 1.031 -0.879 1.00 0.00 H new ATOM 399 N LYS A 27 -2.531 2.685 -5.723 1.00 0.00 N ATOM 400 CA LYS A 27 -3.414 2.027 -6.681 1.00 0.00 C ATOM 401 C LYS A 27 -3.700 0.567 -6.299 1.00 0.00 C ATOM 402 O LYS A 27 -4.858 0.148 -6.297 1.00 0.00 O ATOM 403 CB LYS A 27 -2.810 2.089 -8.087 1.00 0.00 C ATOM 404 CG LYS A 27 -3.728 1.544 -9.171 1.00 0.00 C ATOM 405 CD LYS A 27 -4.931 2.448 -9.397 1.00 0.00 C ATOM 406 CE LYS A 27 -4.523 3.781 -10.006 1.00 0.00 C ATOM 407 NZ LYS A 27 -5.683 4.700 -10.163 1.00 0.00 N ATOM 0 H LYS A 27 -1.584 2.845 -6.066 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.363 2.563 -6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.561 3.124 -8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.876 1.526 -8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.170 1.441 -10.102 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.069 0.547 -8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.643 1.950 -10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.440 2.621 -8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.770 4.253 -9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.062 3.609 -10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.362 5.596 -10.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.391 4.262 -10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.108 4.885 -9.232 1.00 0.00 H new ATOM 421 N PRO A 28 -2.661 -0.235 -5.970 1.00 0.00 N ATOM 422 CA PRO A 28 -2.843 -1.649 -5.608 1.00 0.00 C ATOM 423 C PRO A 28 -3.764 -1.851 -4.407 1.00 0.00 C ATOM 424 O PRO A 28 -4.448 -2.871 -4.310 1.00 0.00 O ATOM 425 CB PRO A 28 -1.425 -2.133 -5.279 1.00 0.00 C ATOM 426 CG PRO A 28 -0.642 -0.894 -5.028 1.00 0.00 C ATOM 427 CD PRO A 28 -1.239 0.152 -5.922 1.00 0.00 C ATOM 0 HA PRO A 28 -3.320 -2.200 -6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.423 -2.784 -4.405 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.003 -2.706 -6.104 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.705 -0.597 -3.981 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.414 -1.046 -5.253 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.106 1.155 -5.517 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.784 0.146 -6.912 1.00 0.00 H new ATOM 435 N GLU A 29 -3.784 -0.883 -3.495 1.00 0.00 N ATOM 436 CA GLU A 29 -4.626 -0.982 -2.305 1.00 0.00 C ATOM 437 C GLU A 29 -6.098 -1.074 -2.688 1.00 0.00 C ATOM 438 O GLU A 29 -6.893 -1.704 -1.990 1.00 0.00 O ATOM 439 CB GLU A 29 -4.406 0.217 -1.382 1.00 0.00 C ATOM 440 CG GLU A 29 -5.107 0.083 -0.042 1.00 0.00 C ATOM 441 CD GLU A 29 -4.693 -1.165 0.711 1.00 0.00 C ATOM 442 OE1 GLU A 29 -3.570 -1.182 1.259 1.00 0.00 O ATOM 443 OE2 GLU A 29 -5.489 -2.126 0.751 1.00 0.00 O ATOM 0 H GLU A 29 -3.232 -0.027 -3.555 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.344 -1.891 -1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.337 0.345 -1.213 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.760 1.119 -1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.888 0.960 0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.185 0.066 -0.200 1.00 0.00 H new ATOM 450 N LYS A 30 -6.456 -0.440 -3.799 1.00 0.00 N ATOM 451 CA LYS A 30 -7.833 -0.450 -4.275 1.00 0.00 C ATOM 452 C LYS A 30 -8.247 -1.852 -4.710 1.00 0.00 C ATOM 453 O LYS A 30 -9.272 -2.371 -4.270 1.00 0.00 O ATOM 454 CB LYS A 30 -7.999 0.532 -5.436 1.00 0.00 C ATOM 455 CG LYS A 30 -9.422 0.620 -5.961 1.00 0.00 C ATOM 456 CD LYS A 30 -9.507 1.520 -7.184 1.00 0.00 C ATOM 457 CE LYS A 30 -10.929 1.613 -7.712 1.00 0.00 C ATOM 458 NZ LYS A 30 -11.013 2.462 -8.933 1.00 0.00 N ATOM 0 H LYS A 30 -5.811 0.088 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.480 -0.141 -3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.679 1.522 -5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.338 0.234 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.780 -0.378 -6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.077 1.004 -5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.147 2.517 -6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.852 1.135 -7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.298 0.613 -7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.577 2.024 -6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.999 2.500 -9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.685 3.423 -8.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.414 2.056 -9.680 1.00 0.00 H new ATOM 472 N GLU A 31 -7.439 -2.461 -5.574 1.00 0.00 N ATOM 473 CA GLU A 31 -7.722 -3.803 -6.070 1.00 0.00 C ATOM 474 C GLU A 31 -7.816 -4.798 -4.918 1.00 0.00 C ATOM 475 O GLU A 31 -8.689 -5.665 -4.904 1.00 0.00 O ATOM 476 CB GLU A 31 -6.639 -4.245 -7.057 1.00 0.00 C ATOM 477 CG GLU A 31 -6.940 -5.571 -7.738 1.00 0.00 C ATOM 478 CD GLU A 31 -5.863 -5.976 -8.727 1.00 0.00 C ATOM 479 OE1 GLU A 31 -5.928 -5.529 -9.891 1.00 0.00 O ATOM 480 OE2 GLU A 31 -4.956 -6.742 -8.337 1.00 0.00 O ATOM 0 H GLU A 31 -6.584 -2.046 -5.944 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.682 -3.779 -6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.517 -3.475 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.689 -4.325 -6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.044 -6.349 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.896 -5.500 -8.256 1.00 0.00 H new ATOM 487 N GLU A 32 -6.912 -4.666 -3.952 1.00 0.00 N ATOM 488 CA GLU A 32 -6.898 -5.552 -2.793 1.00 0.00 C ATOM 489 C GLU A 32 -8.163 -5.371 -1.960 1.00 0.00 C ATOM 490 O GLU A 32 -8.765 -6.346 -1.506 1.00 0.00 O ATOM 491 CB GLU A 32 -5.662 -5.286 -1.932 1.00 0.00 C ATOM 492 CG GLU A 32 -4.354 -5.652 -2.613 1.00 0.00 C ATOM 493 CD GLU A 32 -4.265 -7.127 -2.953 1.00 0.00 C ATOM 494 OE1 GLU A 32 -3.841 -7.912 -2.078 1.00 0.00 O ATOM 495 OE2 GLU A 32 -4.620 -7.497 -4.091 1.00 0.00 O ATOM 0 H GLU A 32 -6.181 -3.955 -3.949 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.863 -6.580 -3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.638 -4.230 -1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.748 -5.850 -1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.248 -5.066 -3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.522 -5.382 -1.962 1.00 0.00 H new ATOM 502 N ARG A 33 -8.559 -4.118 -1.766 1.00 0.00 N ATOM 503 CA ARG A 33 -9.753 -3.802 -0.990 1.00 0.00 C ATOM 504 C ARG A 33 -10.986 -4.452 -1.611 1.00 0.00 C ATOM 505 O ARG A 33 -11.774 -5.098 -0.920 1.00 0.00 O ATOM 506 CB ARG A 33 -9.945 -2.285 -0.912 1.00 0.00 C ATOM 507 CG ARG A 33 -11.143 -1.864 -0.075 1.00 0.00 C ATOM 508 CD ARG A 33 -11.337 -0.357 -0.098 1.00 0.00 C ATOM 509 NE ARG A 33 -11.568 0.141 -1.452 1.00 0.00 N ATOM 510 CZ ARG A 33 -11.539 1.428 -1.779 1.00 0.00 C ATOM 511 NH1 ARG A 33 -11.298 2.348 -0.854 1.00 0.00 N ATOM 512 NH2 ARG A 33 -11.754 1.798 -3.034 1.00 0.00 N ATOM 0 H ARG A 33 -8.070 -3.303 -2.136 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.623 -4.197 0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.045 -1.834 -0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.061 -1.890 -1.921 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.041 -2.353 -0.452 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.005 -2.198 0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.182 -0.090 0.536 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.457 0.129 0.323 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.763 -0.538 -2.188 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.134 2.068 0.113 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.277 3.335 -1.110 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.942 1.094 -3.748 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.732 2.786 -3.285 1.00 0.00 H new ATOM 526 N ASP A 34 -11.142 -4.275 -2.919 1.00 0.00 N ATOM 527 CA ASP A 34 -12.274 -4.845 -3.641 1.00 0.00 C ATOM 528 C ASP A 34 -12.281 -6.367 -3.533 1.00 0.00 C ATOM 529 O ASP A 34 -13.325 -6.977 -3.305 1.00 0.00 O ATOM 530 CB ASP A 34 -12.231 -4.423 -5.111 1.00 0.00 C ATOM 531 CG ASP A 34 -12.614 -2.970 -5.309 1.00 0.00 C ATOM 532 OD1 ASP A 34 -11.731 -2.099 -5.170 1.00 0.00 O ATOM 533 OD2 ASP A 34 -13.798 -2.703 -5.604 1.00 0.00 O ATOM 0 H ASP A 34 -10.498 -3.740 -3.502 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.190 -4.466 -3.188 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.228 -4.588 -5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.907 -5.055 -5.687 1.00 0.00 H new ATOM 538 N THR A 35 -11.108 -6.973 -3.696 1.00 0.00 N ATOM 539 CA THR A 35 -10.981 -8.423 -3.618 1.00 0.00 C ATOM 540 C THR A 35 -11.386 -8.931 -2.238 1.00 0.00 C ATOM 541 O THR A 35 -11.931 -10.027 -2.105 1.00 0.00 O ATOM 542 CB THR A 35 -9.544 -8.884 -3.920 1.00 0.00 C ATOM 543 OG1 THR A 35 -9.118 -8.364 -5.186 1.00 0.00 O ATOM 544 CG2 THR A 35 -9.455 -10.404 -3.937 1.00 0.00 C ATOM 0 H THR A 35 -10.234 -6.482 -3.883 1.00 0.00 H new ATOM 0 HA THR A 35 -11.649 -8.840 -4.372 1.00 0.00 H new ATOM 0 HB THR A 35 -8.892 -8.505 -3.133 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.945 -7.403 -5.104 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.430 -10.706 -4.152 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.752 -10.797 -2.965 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.119 -10.799 -4.706 1.00 0.00 H new ATOM 552 N CYS A 36 -11.116 -8.127 -1.215 1.00 0.00 N ATOM 553 CA CYS A 36 -11.454 -8.495 0.154 1.00 0.00 C ATOM 554 C CYS A 36 -12.964 -8.461 0.375 1.00 0.00 C ATOM 555 O CYS A 36 -13.535 -9.379 0.964 1.00 0.00 O ATOM 556 CB CYS A 36 -10.762 -7.554 1.141 1.00 0.00 C ATOM 557 SG CYS A 36 -11.145 -7.891 2.875 1.00 0.00 S ATOM 0 H CYS A 36 -10.664 -7.217 -1.308 1.00 0.00 H new ATOM 0 HA CYS A 36 -11.105 -9.514 0.325 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.684 -7.624 0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.048 -6.528 0.910 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.168 -7.474 3.624 1.00 0.00 H new ATOM 563 N ILE A 37 -13.604 -7.398 -0.102 1.00 0.00 N ATOM 564 CA ILE A 37 -15.047 -7.245 0.046 1.00 0.00 C ATOM 565 C ILE A 37 -15.802 -8.289 -0.774 1.00 0.00 C ATOM 566 O ILE A 37 -16.919 -8.675 -0.428 1.00 0.00 O ATOM 567 CB ILE A 37 -15.508 -5.835 -0.382 1.00 0.00 C ATOM 568 CG1 ILE A 37 -14.743 -4.766 0.403 1.00 0.00 C ATOM 569 CG2 ILE A 37 -17.008 -5.680 -0.173 1.00 0.00 C ATOM 570 CD1 ILE A 37 -15.017 -3.353 -0.068 1.00 0.00 C ATOM 0 H ILE A 37 -13.147 -6.630 -0.594 1.00 0.00 H new ATOM 0 HA ILE A 37 -15.274 -7.389 1.102 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.294 -5.705 -1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -15.005 -4.845 1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.674 -4.965 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -17.317 -4.681 -0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -17.537 -6.422 -0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -17.246 -5.826 0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -14.441 -2.651 0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.728 -3.256 -1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -16.080 -3.134 0.037 1.00 0.00 H new ATOM 582 N LEU A 38 -15.185 -8.745 -1.860 1.00 0.00 N ATOM 583 CA LEU A 38 -15.804 -9.743 -2.725 1.00 0.00 C ATOM 584 C LEU A 38 -15.544 -11.156 -2.212 1.00 0.00 C ATOM 585 O LEU A 38 -16.365 -12.054 -2.397 1.00 0.00 O ATOM 586 CB LEU A 38 -15.279 -9.605 -4.154 1.00 0.00 C ATOM 587 CG LEU A 38 -15.653 -8.302 -4.862 1.00 0.00 C ATOM 588 CD1 LEU A 38 -15.002 -8.242 -6.233 1.00 0.00 C ATOM 589 CD2 LEU A 38 -17.166 -8.172 -4.982 1.00 0.00 C ATOM 0 H LEU A 38 -14.259 -8.440 -2.161 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.880 -9.569 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.193 -9.690 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.654 -10.441 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.285 -7.467 -4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.277 -7.309 -6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.919 -8.289 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.343 -9.084 -6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.412 -7.239 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.559 -9.011 -5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.611 -8.173 -3.987 1.00 0.00 H new ATOM 601 N PHE A 39 -14.398 -11.345 -1.566 1.00 0.00 N ATOM 602 CA PHE A 39 -14.026 -12.653 -1.034 1.00 0.00 C ATOM 603 C PHE A 39 -14.560 -12.838 0.384 1.00 0.00 C ATOM 604 O PHE A 39 -15.453 -13.652 0.620 1.00 0.00 O ATOM 605 CB PHE A 39 -12.505 -12.815 -1.047 1.00 0.00 C ATOM 606 CG PHE A 39 -12.049 -14.235 -0.875 1.00 0.00 C ATOM 607 CD1 PHE A 39 -11.866 -14.772 0.390 1.00 0.00 C ATOM 608 CD2 PHE A 39 -11.804 -15.034 -1.980 1.00 0.00 C ATOM 609 CE1 PHE A 39 -11.447 -16.078 0.549 1.00 0.00 C ATOM 610 CE2 PHE A 39 -11.386 -16.343 -1.827 1.00 0.00 C ATOM 611 CZ PHE A 39 -11.207 -16.865 -0.561 1.00 0.00 C ATOM 0 H PHE A 39 -13.711 -10.610 -1.398 1.00 0.00 H new ATOM 0 HA PHE A 39 -14.472 -13.418 -1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.115 -12.429 -1.989 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.077 -12.206 -0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.053 -14.162 1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.941 -14.630 -2.972 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.307 -16.484 1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.200 -16.956 -2.696 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.880 -17.887 -0.439 1.00 0.00 H new ATOM 621 N ASN A 40 -14.005 -12.079 1.324 1.00 0.00 N ATOM 622 CA ASN A 40 -14.422 -12.161 2.721 1.00 0.00 C ATOM 623 C ASN A 40 -15.840 -11.629 2.902 1.00 0.00 C ATOM 624 O ASN A 40 -16.477 -11.873 3.928 1.00 0.00 O ATOM 625 CB ASN A 40 -13.456 -11.379 3.611 1.00 0.00 C ATOM 626 CG ASN A 40 -12.046 -11.932 3.564 1.00 0.00 C ATOM 627 OD1 ASN A 40 -11.686 -12.812 4.346 1.00 0.00 O ATOM 628 ND2 ASN A 40 -11.239 -11.418 2.643 1.00 0.00 N ATOM 0 H ASN A 40 -13.265 -11.400 1.144 1.00 0.00 H new ATOM 0 HA ASN A 40 -14.408 -13.211 3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -13.444 -10.335 3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -13.817 -11.400 4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.278 -11.752 2.563 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.580 -10.690 2.015 1.00 0.00 H new ATOM 635 N GLY A 41 -16.329 -10.902 1.902 1.00 0.00 N ATOM 636 CA GLY A 41 -17.668 -10.348 1.973 1.00 0.00 C ATOM 637 C GLY A 41 -17.711 -9.031 2.719 1.00 0.00 C ATOM 638 O GLY A 41 -16.738 -8.646 3.368 1.00 0.00 O ATOM 0 H GLY A 41 -15.821 -10.687 1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -18.052 -10.203 0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.328 -11.063 2.465 1.00 0.00 H new ATOM 642 N GLN A 42 -18.842 -8.337 2.630 1.00 0.00 N ATOM 643 CA GLN A 42 -19.005 -7.052 3.301 1.00 0.00 C ATOM 644 C GLN A 42 -19.338 -7.245 4.777 1.00 0.00 C ATOM 645 O GLN A 42 -20.082 -8.156 5.142 1.00 0.00 O ATOM 646 CB GLN A 42 -20.102 -6.230 2.620 1.00 0.00 C ATOM 647 CG GLN A 42 -21.467 -6.899 2.638 1.00 0.00 C ATOM 648 CD GLN A 42 -22.533 -6.065 1.956 1.00 0.00 C ATOM 649 OE1 GLN A 42 -23.200 -5.248 2.590 1.00 0.00 O ATOM 650 NE2 GLN A 42 -22.698 -6.267 0.654 1.00 0.00 N ATOM 0 H GLN A 42 -19.658 -8.643 2.100 1.00 0.00 H new ATOM 0 HA GLN A 42 -18.061 -6.512 3.229 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -20.176 -5.260 3.112 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -19.813 -6.041 1.586 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -21.399 -7.869 2.145 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -21.762 -7.086 3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -22.123 -6.955 0.168 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -23.400 -5.734 0.140 1.00 0.00 H new ATOM 659 N ASP A 43 -18.781 -6.377 5.618 1.00 0.00 N ATOM 660 CA ASP A 43 -19.010 -6.439 7.059 1.00 0.00 C ATOM 661 C ASP A 43 -18.648 -7.814 7.614 1.00 0.00 C ATOM 662 O ASP A 43 -19.483 -8.718 7.660 1.00 0.00 O ATOM 663 CB ASP A 43 -20.468 -6.110 7.386 1.00 0.00 C ATOM 664 CG ASP A 43 -20.741 -6.117 8.877 1.00 0.00 C ATOM 665 OD1 ASP A 43 -20.542 -5.066 9.521 1.00 0.00 O ATOM 666 OD2 ASP A 43 -21.151 -7.174 9.400 1.00 0.00 O ATOM 0 H ASP A 43 -18.165 -5.619 5.324 1.00 0.00 H new ATOM 0 HA ASP A 43 -18.366 -5.697 7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -20.717 -5.130 6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -21.120 -6.834 6.897 1.00 0.00 H new ATOM 671 N SER A 44 -17.394 -7.963 8.031 1.00 0.00 N ATOM 672 CA SER A 44 -16.916 -9.224 8.586 1.00 0.00 C ATOM 673 C SER A 44 -15.958 -8.971 9.747 1.00 0.00 C ATOM 674 O SER A 44 -15.339 -9.900 10.268 1.00 0.00 O ATOM 675 CB SER A 44 -16.221 -10.051 7.503 1.00 0.00 C ATOM 676 OG SER A 44 -15.739 -11.278 8.025 1.00 0.00 O ATOM 0 H SER A 44 -16.691 -7.225 7.995 1.00 0.00 H new ATOM 0 HA SER A 44 -17.775 -9.782 8.959 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.918 -10.248 6.689 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.392 -9.481 7.082 1.00 0.00 H new ATOM 0 HG SER A 44 -15.550 -11.175 8.981 1.00 0.00 H new ATOM 682 N GLU A 45 -15.842 -7.704 10.142 1.00 0.00 N ATOM 683 CA GLU A 45 -14.965 -7.308 11.241 1.00 0.00 C ATOM 684 C GLU A 45 -13.500 -7.559 10.888 1.00 0.00 C ATOM 685 O GLU A 45 -12.608 -7.377 11.718 1.00 0.00 O ATOM 686 CB GLU A 45 -15.343 -8.057 12.524 1.00 0.00 C ATOM 687 CG GLU A 45 -14.704 -7.484 13.780 1.00 0.00 C ATOM 688 CD GLU A 45 -15.207 -8.150 15.046 1.00 0.00 C ATOM 689 OE1 GLU A 45 -14.613 -9.169 15.456 1.00 0.00 O ATOM 690 OE2 GLU A 45 -16.194 -7.652 15.627 1.00 0.00 O ATOM 0 H GLU A 45 -16.349 -6.930 9.713 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.095 -6.239 11.410 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.427 -8.039 12.638 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.051 -9.102 12.423 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.622 -7.600 13.718 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.907 -6.414 13.831 1.00 0.00 H new ATOM 697 N LYS A 46 -13.257 -7.973 9.647 1.00 0.00 N ATOM 698 CA LYS A 46 -11.901 -8.245 9.182 1.00 0.00 C ATOM 699 C LYS A 46 -11.682 -7.688 7.779 1.00 0.00 C ATOM 700 O LYS A 46 -10.604 -7.837 7.204 1.00 0.00 O ATOM 701 CB LYS A 46 -11.623 -9.749 9.196 1.00 0.00 C ATOM 702 CG LYS A 46 -11.683 -10.364 10.585 1.00 0.00 C ATOM 703 CD LYS A 46 -11.175 -11.796 10.585 1.00 0.00 C ATOM 704 CE LYS A 46 -12.093 -12.720 9.798 1.00 0.00 C ATOM 705 NZ LYS A 46 -11.618 -14.132 9.829 1.00 0.00 N ATOM 0 H LYS A 46 -13.982 -8.127 8.946 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.208 -7.749 9.862 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.347 -10.250 8.554 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.637 -9.932 8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.087 -9.766 11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.710 -10.342 10.949 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.173 -11.827 10.156 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.093 -12.153 11.612 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.101 -12.667 10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.152 -12.379 8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.270 -14.730 9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.666 -14.187 9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.586 -14.466 10.813 1.00 0.00 H new ATOM 719 N CYS A 47 -12.711 -7.047 7.233 1.00 0.00 N ATOM 720 CA CYS A 47 -12.629 -6.468 5.897 1.00 0.00 C ATOM 721 C CYS A 47 -12.462 -4.954 5.975 1.00 0.00 C ATOM 722 O CYS A 47 -12.351 -4.279 4.951 1.00 0.00 O ATOM 723 CB CYS A 47 -13.877 -6.819 5.084 1.00 0.00 C ATOM 724 SG CYS A 47 -15.422 -6.222 5.808 1.00 0.00 S ATOM 0 H CYS A 47 -13.611 -6.916 7.695 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.756 -6.888 5.398 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.773 -6.403 4.082 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -13.934 -7.902 4.975 1.00 0.00 H new ATOM 0 HG CYS A 47 -16.345 -7.126 5.667 1.00 0.00 H new ATOM 730 N LYS A 48 -12.445 -4.429 7.196 1.00 0.00 N ATOM 731 CA LYS A 48 -12.288 -2.995 7.412 1.00 0.00 C ATOM 732 C LYS A 48 -10.812 -2.619 7.487 1.00 0.00 C ATOM 733 O LYS A 48 -10.462 -1.440 7.491 1.00 0.00 O ATOM 734 CB LYS A 48 -13.003 -2.568 8.696 1.00 0.00 C ATOM 735 CG LYS A 48 -14.504 -2.808 8.664 1.00 0.00 C ATOM 736 CD LYS A 48 -15.150 -2.561 10.022 1.00 0.00 C ATOM 737 CE LYS A 48 -15.155 -1.083 10.390 1.00 0.00 C ATOM 738 NZ LYS A 48 -13.823 -0.617 10.862 1.00 0.00 N ATOM 0 H LYS A 48 -12.538 -4.976 8.052 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.737 -2.473 6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.574 -3.111 9.539 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.816 -1.508 8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.960 -2.154 7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.701 -3.833 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -16.174 -2.935 10.010 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.614 -3.123 10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.457 -0.495 9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.897 -0.907 11.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.944 -0.005 11.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.239 -1.438 11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.354 -0.081 10.104 1.00 0.00 H new ATOM 752 N GLU A 49 -9.953 -3.632 7.548 1.00 0.00 N ATOM 753 CA GLU A 49 -8.512 -3.411 7.623 1.00 0.00 C ATOM 754 C GLU A 49 -7.994 -2.760 6.346 1.00 0.00 C ATOM 755 O GLU A 49 -7.275 -1.761 6.396 1.00 0.00 O ATOM 756 CB GLU A 49 -7.783 -4.732 7.865 1.00 0.00 C ATOM 757 CG GLU A 49 -8.167 -5.410 9.170 1.00 0.00 C ATOM 758 CD GLU A 49 -7.880 -4.545 10.382 1.00 0.00 C ATOM 759 OE1 GLU A 49 -6.718 -4.532 10.842 1.00 0.00 O ATOM 760 OE2 GLU A 49 -8.817 -3.879 10.871 1.00 0.00 O ATOM 0 H GLU A 49 -10.229 -4.614 7.547 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.318 -2.738 8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.993 -5.410 7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.708 -4.550 7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.228 -5.658 9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.622 -6.350 9.261 1.00 0.00 H new ATOM 767 N PHE A 50 -8.359 -3.331 5.203 1.00 0.00 N ATOM 768 CA PHE A 50 -7.927 -2.807 3.913 1.00 0.00 C ATOM 769 C PHE A 50 -8.484 -1.407 3.675 1.00 0.00 C ATOM 770 O PHE A 50 -7.788 -0.533 3.157 1.00 0.00 O ATOM 771 CB PHE A 50 -8.365 -3.743 2.785 1.00 0.00 C ATOM 772 CG PHE A 50 -7.705 -5.092 2.839 1.00 0.00 C ATOM 773 CD1 PHE A 50 -8.226 -6.103 3.631 1.00 0.00 C ATOM 774 CD2 PHE A 50 -6.563 -5.348 2.098 1.00 0.00 C ATOM 775 CE1 PHE A 50 -7.621 -7.343 3.682 1.00 0.00 C ATOM 776 CE2 PHE A 50 -5.952 -6.587 2.144 1.00 0.00 C ATOM 777 CZ PHE A 50 -6.482 -7.586 2.939 1.00 0.00 C ATOM 0 H PHE A 50 -8.954 -4.158 5.144 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.839 -2.746 3.923 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.446 -3.874 2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -8.140 -3.275 1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.116 -5.919 4.215 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.145 -4.570 1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -8.038 -8.123 4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.063 -6.774 1.560 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.006 -8.555 2.979 1.00 0.00 H new ATOM 787 N ILE A 51 -9.743 -1.201 4.051 1.00 0.00 N ATOM 788 CA ILE A 51 -10.387 0.096 3.881 1.00 0.00 C ATOM 789 C ILE A 51 -9.653 1.175 4.671 1.00 0.00 C ATOM 790 O ILE A 51 -9.192 2.168 4.107 1.00 0.00 O ATOM 791 CB ILE A 51 -11.860 0.057 4.335 1.00 0.00 C ATOM 792 CG1 ILE A 51 -12.608 -1.072 3.622 1.00 0.00 C ATOM 793 CG2 ILE A 51 -12.531 1.397 4.065 1.00 0.00 C ATOM 794 CD1 ILE A 51 -14.002 -1.310 4.163 1.00 0.00 C ATOM 0 H ILE A 51 -10.336 -1.915 4.475 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.350 0.334 2.818 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.890 -0.135 5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -12.674 -0.839 2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -12.031 -1.992 3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.571 1.355 4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.010 2.182 4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.493 1.614 2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.473 -2.124 3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.942 -1.575 5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.596 -0.403 4.049 1.00 0.00 H new ATOM 806 N GLU A 52 -9.548 0.972 5.982 1.00 0.00 N ATOM 807 CA GLU A 52 -8.871 1.925 6.854 1.00 0.00 C ATOM 808 C GLU A 52 -7.415 2.106 6.439 1.00 0.00 C ATOM 809 O GLU A 52 -6.842 3.183 6.605 1.00 0.00 O ATOM 810 CB GLU A 52 -8.946 1.460 8.309 1.00 0.00 C ATOM 811 CG GLU A 52 -10.364 1.389 8.852 1.00 0.00 C ATOM 812 CD GLU A 52 -10.415 0.886 10.281 1.00 0.00 C ATOM 813 OE1 GLU A 52 -10.265 1.710 11.207 1.00 0.00 O ATOM 814 OE2 GLU A 52 -10.604 -0.334 10.474 1.00 0.00 O ATOM 0 H GLU A 52 -9.924 0.155 6.463 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.377 2.886 6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.484 0.476 8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.362 2.139 8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.818 2.379 8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.960 0.732 8.218 1.00 0.00 H new ATOM 821 N LYS A 53 -6.821 1.047 5.900 1.00 0.00 N ATOM 822 CA LYS A 53 -5.431 1.093 5.460 1.00 0.00 C ATOM 823 C LYS A 53 -5.269 2.032 4.270 1.00 0.00 C ATOM 824 O LYS A 53 -4.293 2.775 4.182 1.00 0.00 O ATOM 825 CB LYS A 53 -4.942 -0.307 5.098 1.00 0.00 C ATOM 826 CG LYS A 53 -3.530 -0.336 4.534 1.00 0.00 C ATOM 827 CD LYS A 53 -3.071 -1.758 4.257 1.00 0.00 C ATOM 828 CE LYS A 53 -1.668 -1.785 3.671 1.00 0.00 C ATOM 829 NZ LYS A 53 -1.212 -3.174 3.391 1.00 0.00 N ATOM 0 H LYS A 53 -7.279 0.147 5.757 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.826 1.475 6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.981 -0.937 5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.624 -0.743 4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.493 0.246 3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.846 0.138 5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.092 -2.335 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.765 -2.238 3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.648 -1.203 2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.975 -1.308 4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.252 -3.150 2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.207 -3.722 4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.858 -3.621 2.710 1.00 0.00 H new ATOM 843 N TYR A 54 -6.233 1.992 3.355 1.00 0.00 N ATOM 844 CA TYR A 54 -6.196 2.845 2.173 1.00 0.00 C ATOM 845 C TYR A 54 -6.442 4.302 2.553 1.00 0.00 C ATOM 846 O TYR A 54 -5.834 5.211 1.987 1.00 0.00 O ATOM 847 CB TYR A 54 -7.240 2.389 1.152 1.00 0.00 C ATOM 848 CG TYR A 54 -7.231 3.198 -0.128 1.00 0.00 C ATOM 849 CD1 TYR A 54 -6.067 3.338 -0.875 1.00 0.00 C ATOM 850 CD2 TYR A 54 -8.383 3.823 -0.586 1.00 0.00 C ATOM 851 CE1 TYR A 54 -6.052 4.078 -2.041 1.00 0.00 C ATOM 852 CE2 TYR A 54 -8.377 4.564 -1.752 1.00 0.00 C ATOM 853 CZ TYR A 54 -7.209 4.690 -2.475 1.00 0.00 C ATOM 854 OH TYR A 54 -7.198 5.428 -3.637 1.00 0.00 O ATOM 0 H TYR A 54 -7.047 1.380 3.409 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.205 2.763 1.726 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.066 1.341 0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.230 2.452 1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.159 2.860 -0.538 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.299 3.728 -0.022 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.139 4.177 -2.610 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -9.282 5.042 -2.096 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.587 6.187 -3.537 1.00 0.00 H new ATOM 864 N LYS A 55 -7.336 4.517 3.515 1.00 0.00 N ATOM 865 CA LYS A 55 -7.660 5.863 3.971 1.00 0.00 C ATOM 866 C LYS A 55 -6.443 6.540 4.596 1.00 0.00 C ATOM 867 O LYS A 55 -6.085 7.657 4.223 1.00 0.00 O ATOM 868 CB LYS A 55 -8.809 5.826 4.980 1.00 0.00 C ATOM 869 CG LYS A 55 -10.135 5.393 4.374 1.00 0.00 C ATOM 870 CD LYS A 55 -11.279 5.566 5.361 1.00 0.00 C ATOM 871 CE LYS A 55 -12.617 5.221 4.727 1.00 0.00 C ATOM 872 NZ LYS A 55 -13.754 5.466 5.658 1.00 0.00 N ATOM 0 H LYS A 55 -7.848 3.775 3.993 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.969 6.443 3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.549 5.144 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.926 6.816 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.335 5.978 3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.073 4.349 4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.111 4.929 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.299 6.595 5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.754 5.815 3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.616 4.174 4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.648 5.218 5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.638 4.881 6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.772 6.470 5.928 1.00 0.00 H new ATOM 886 N GLU A 56 -5.810 5.858 5.547 1.00 0.00 N ATOM 887 CA GLU A 56 -4.635 6.400 6.220 1.00 0.00 C ATOM 888 C GLU A 56 -3.479 6.577 5.237 1.00 0.00 C ATOM 889 O GLU A 56 -2.758 7.575 5.286 1.00 0.00 O ATOM 890 CB GLU A 56 -4.209 5.490 7.376 1.00 0.00 C ATOM 891 CG GLU A 56 -3.799 4.092 6.937 1.00 0.00 C ATOM 892 CD GLU A 56 -3.325 3.233 8.093 1.00 0.00 C ATOM 893 OE1 GLU A 56 -2.115 3.267 8.401 1.00 0.00 O ATOM 894 OE2 GLU A 56 -4.164 2.526 8.690 1.00 0.00 O ATOM 0 H GLU A 56 -6.091 4.931 5.868 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.899 7.378 6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.376 5.954 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.032 5.411 8.086 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.644 3.605 6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.004 4.167 6.195 1.00 0.00 H new ATOM 901 N CYS A 57 -3.312 5.602 4.346 1.00 0.00 N ATOM 902 CA CYS A 57 -2.249 5.650 3.351 1.00 0.00 C ATOM 903 C CYS A 57 -2.393 6.887 2.473 1.00 0.00 C ATOM 904 O CYS A 57 -1.420 7.594 2.211 1.00 0.00 O ATOM 905 CB CYS A 57 -2.273 4.389 2.486 1.00 0.00 C ATOM 906 SG CYS A 57 -0.978 4.331 1.227 1.00 0.00 S ATOM 0 H CYS A 57 -3.900 4.770 4.295 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.294 5.702 3.873 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.176 3.517 3.132 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.244 4.316 1.996 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.081 3.226 0.549 1.00 0.00 H new ATOM 912 N MET A 58 -3.616 7.141 2.021 1.00 0.00 N ATOM 913 CA MET A 58 -3.896 8.298 1.179 1.00 0.00 C ATOM 914 C MET A 58 -3.643 9.587 1.949 1.00 0.00 C ATOM 915 O MET A 58 -3.122 10.558 1.401 1.00 0.00 O ATOM 916 CB MET A 58 -5.345 8.258 0.690 1.00 0.00 C ATOM 917 CG MET A 58 -5.602 7.200 -0.370 1.00 0.00 C ATOM 918 SD MET A 58 -4.871 7.621 -1.964 1.00 0.00 S ATOM 919 CE MET A 58 -5.756 9.129 -2.353 1.00 0.00 C ATOM 0 H MET A 58 -4.430 6.561 2.224 1.00 0.00 H new ATOM 0 HA MET A 58 -3.230 8.268 0.316 1.00 0.00 H new ATOM 0 HB2 MET A 58 -6.001 8.075 1.541 1.00 0.00 H new ATOM 0 HB3 MET A 58 -5.611 9.235 0.287 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.199 6.246 -0.031 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.677 7.067 -0.492 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.832 9.238 -3.435 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.756 9.085 -1.922 1.00 0.00 H new ATOM 0 HE3 MET A 58 -5.219 9.983 -1.939 1.00 0.00 H new ATOM 929 N LYS A 59 -4.013 9.586 3.225 1.00 0.00 N ATOM 930 CA LYS A 59 -3.827 10.751 4.082 1.00 0.00 C ATOM 931 C LYS A 59 -2.345 11.049 4.278 1.00 0.00 C ATOM 932 O LYS A 59 -1.953 12.203 4.460 1.00 0.00 O ATOM 933 CB LYS A 59 -4.498 10.516 5.438 1.00 0.00 C ATOM 934 CG LYS A 59 -4.316 11.664 6.418 1.00 0.00 C ATOM 935 CD LYS A 59 -5.067 11.417 7.718 1.00 0.00 C ATOM 936 CE LYS A 59 -4.503 10.227 8.480 1.00 0.00 C ATOM 937 NZ LYS A 59 -3.073 10.430 8.847 1.00 0.00 N ATOM 0 H LYS A 59 -4.445 8.788 3.690 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.289 11.611 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.564 10.349 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.094 9.605 5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.255 11.797 6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.669 12.590 5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.013 12.308 8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.121 11.243 7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.090 10.063 9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.598 9.328 7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.798 9.734 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.477 10.308 8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.945 11.390 9.225 1.00 0.00 H new ATOM 951 N GLY A 60 -1.525 10.003 4.239 1.00 0.00 N ATOM 952 CA GLY A 60 -0.094 10.171 4.417 1.00 0.00 C ATOM 953 C GLY A 60 0.598 10.688 3.171 1.00 0.00 C ATOM 954 O GLY A 60 1.769 11.064 3.216 1.00 0.00 O ATOM 0 H GLY A 60 -1.827 9.041 4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.086 10.862 5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.347 9.215 4.701 1.00 0.00 H new ATOM 958 N TYR A 61 -0.126 10.709 2.055 1.00 0.00 N ATOM 959 CA TYR A 61 0.432 11.185 0.793 1.00 0.00 C ATOM 960 C TYR A 61 -0.560 12.084 0.061 1.00 0.00 C ATOM 961 O TYR A 61 -0.483 12.248 -1.157 1.00 0.00 O ATOM 962 CB TYR A 61 0.817 9.999 -0.097 1.00 0.00 C ATOM 963 CG TYR A 61 1.842 9.081 0.527 1.00 0.00 C ATOM 964 CD1 TYR A 61 3.175 9.456 0.616 1.00 0.00 C ATOM 965 CD2 TYR A 61 1.475 7.838 1.028 1.00 0.00 C ATOM 966 CE1 TYR A 61 4.115 8.621 1.186 1.00 0.00 C ATOM 967 CE2 TYR A 61 2.410 6.996 1.600 1.00 0.00 C ATOM 968 CZ TYR A 61 3.729 7.393 1.678 1.00 0.00 C ATOM 969 OH TYR A 61 4.663 6.559 2.247 1.00 0.00 O ATOM 0 H TYR A 61 -1.097 10.403 1.999 1.00 0.00 H new ATOM 0 HA TYR A 61 1.325 11.769 1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.079 9.424 -0.329 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.207 10.377 -1.042 1.00 0.00 H new ATOM 0 HD1 TYR A 61 3.482 10.418 0.233 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.443 7.525 0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.148 8.929 1.246 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.110 6.032 1.984 1.00 0.00 H new ATOM 0 HH TYR A 61 4.226 5.733 2.544 1.00 0.00 H new ATOM 979 N GLY A 62 -1.485 12.670 0.814 1.00 0.00 N ATOM 980 CA GLY A 62 -2.481 13.543 0.218 1.00 0.00 C ATOM 981 C GLY A 62 -3.708 12.782 -0.242 1.00 0.00 C ATOM 982 O GLY A 62 -3.728 12.231 -1.343 1.00 0.00 O ATOM 0 H GLY A 62 -1.563 12.557 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.777 14.302 0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.041 14.067 -0.631 1.00 0.00 H new ATOM 986 N PHE A 63 -4.733 12.750 0.606 1.00 0.00 N ATOM 987 CA PHE A 63 -5.970 12.047 0.289 1.00 0.00 C ATOM 988 C PHE A 63 -6.628 12.615 -0.964 1.00 0.00 C ATOM 989 O PHE A 63 -6.264 13.692 -1.435 1.00 0.00 O ATOM 990 CB PHE A 63 -6.939 12.121 1.469 1.00 0.00 C ATOM 991 CG PHE A 63 -7.263 13.523 1.890 1.00 0.00 C ATOM 992 CD1 PHE A 63 -6.442 14.197 2.776 1.00 0.00 C ATOM 993 CD2 PHE A 63 -8.386 14.164 1.399 1.00 0.00 C ATOM 994 CE1 PHE A 63 -6.736 15.490 3.168 1.00 0.00 C ATOM 995 CE2 PHE A 63 -8.688 15.456 1.787 1.00 0.00 C ATOM 996 CZ PHE A 63 -7.861 16.119 2.673 1.00 0.00 C ATOM 0 H PHE A 63 -4.730 13.204 1.519 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.720 11.004 0.095 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.863 11.607 1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.509 11.586 2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.562 13.708 3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.034 13.650 0.705 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.087 16.007 3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.568 15.946 1.398 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.094 17.128 2.978 1.00 0.00 H new ATOM 1006 N GLU A 64 -7.598 11.879 -1.497 1.00 0.00 N ATOM 1007 CA GLU A 64 -8.313 12.301 -2.697 1.00 0.00 C ATOM 1008 C GLU A 64 -9.736 11.751 -2.699 1.00 0.00 C ATOM 1009 O GLU A 64 -10.685 12.458 -3.041 1.00 0.00 O ATOM 1010 CB GLU A 64 -7.569 11.832 -3.947 1.00 0.00 C ATOM 1011 CG GLU A 64 -8.213 12.289 -5.247 1.00 0.00 C ATOM 1012 CD GLU A 64 -7.481 11.777 -6.472 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -6.533 12.453 -6.922 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -7.858 10.700 -6.981 1.00 0.00 O ATOM 0 H GLU A 64 -7.908 10.985 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.363 13.390 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.544 12.201 -3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.516 10.743 -3.941 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.247 11.945 -5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.238 13.378 -5.272 1.00 0.00 H new ATOM 1021 N VAL A 65 -9.874 10.486 -2.316 1.00 0.00 N ATOM 1022 CA VAL A 65 -11.168 9.835 -2.265 1.00 0.00 C ATOM 1023 C VAL A 65 -12.057 10.456 -1.187 1.00 0.00 C ATOM 1024 O VAL A 65 -11.559 10.938 -0.170 1.00 0.00 O ATOM 1025 CB VAL A 65 -11.003 8.333 -1.985 1.00 0.00 C ATOM 1026 CG1 VAL A 65 -10.384 7.630 -3.184 1.00 0.00 C ATOM 1027 CG2 VAL A 65 -10.161 8.112 -0.738 1.00 0.00 C ATOM 0 H VAL A 65 -9.095 9.891 -2.035 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.645 9.974 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.990 7.905 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.275 6.567 -2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.029 7.758 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.404 8.060 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.055 7.043 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.176 8.555 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.648 8.580 0.118 1.00 0.00 H new ATOM 1037 N PRO A 66 -13.389 10.452 -1.392 1.00 0.00 N ATOM 1038 CA PRO A 66 -14.334 11.026 -0.427 1.00 0.00 C ATOM 1039 C PRO A 66 -14.357 10.255 0.888 1.00 0.00 C ATOM 1040 O PRO A 66 -14.716 9.078 0.923 1.00 0.00 O ATOM 1041 CB PRO A 66 -15.688 10.914 -1.135 1.00 0.00 C ATOM 1042 CG PRO A 66 -15.511 9.810 -2.120 1.00 0.00 C ATOM 1043 CD PRO A 66 -14.079 9.888 -2.568 1.00 0.00 C ATOM 0 HA PRO A 66 -14.066 12.047 -0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -16.487 10.689 -0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -15.954 11.848 -1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.727 8.843 -1.666 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -16.192 9.925 -2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.686 8.907 -2.833 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.966 10.525 -3.445 1.00 0.00 H new ATOM 1051 N SER A 67 -13.969 10.927 1.966 1.00 0.00 N ATOM 1052 CA SER A 67 -13.943 10.308 3.286 1.00 0.00 C ATOM 1053 C SER A 67 -14.967 10.954 4.214 1.00 0.00 C ATOM 1054 O SER A 67 -15.058 10.605 5.391 1.00 0.00 O ATOM 1055 CB SER A 67 -12.545 10.422 3.895 1.00 0.00 C ATOM 1056 OG SER A 67 -12.163 11.779 4.040 1.00 0.00 O ATOM 0 H SER A 67 -13.668 11.901 1.952 1.00 0.00 H new ATOM 0 HA SER A 67 -14.200 9.255 3.170 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.527 9.930 4.867 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.825 9.904 3.262 1.00 0.00 H new ATOM 0 HG SER A 67 -11.266 11.826 4.433 1.00 0.00 H new ATOM 1062 N ALA A 68 -15.737 11.895 3.676 1.00 0.00 N ATOM 1063 CA ALA A 68 -16.753 12.591 4.458 1.00 0.00 C ATOM 1064 C ALA A 68 -18.155 12.291 3.937 1.00 0.00 C ATOM 1065 O ALA A 68 -19.124 12.300 4.696 1.00 0.00 O ATOM 1066 CB ALA A 68 -16.490 14.089 4.447 1.00 0.00 C ATOM 0 H ALA A 68 -15.677 12.193 2.702 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.695 12.230 5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -17.255 14.597 5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.509 14.289 4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -16.517 14.456 3.421 1.00 0.00 H new ATOM 1072 N ASN A 69 -18.256 12.029 2.637 1.00 0.00 N ATOM 1073 CA ASN A 69 -19.540 11.724 2.015 1.00 0.00 C ATOM 1074 C ASN A 69 -20.012 10.326 2.401 1.00 0.00 C ATOM 1075 O ASN A 69 -19.648 9.362 1.694 1.00 0.00 O ATOM 1076 CB ASN A 69 -19.437 11.838 0.492 1.00 0.00 C ATOM 1077 CG ASN A 69 -19.080 13.240 0.038 1.00 0.00 C ATOM 1078 OD1 ASN A 69 -17.904 13.588 -0.077 1.00 0.00 O ATOM 1079 ND2 ASN A 69 -20.096 14.053 -0.229 1.00 0.00 N ATOM 1080 OXT ASN A 69 -20.741 10.207 3.408 1.00 0.00 O ATOM 0 H ASN A 69 -17.464 12.022 1.994 1.00 0.00 H new ATOM 0 HA ASN A 69 -20.270 12.448 2.376 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -18.684 11.139 0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -20.386 11.545 0.044 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -19.917 15.007 -0.543 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -21.055 13.723 -0.120 1.00 0.00 H new TER 1087 ASN A 69