USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 680 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 64 HIS : no HD1:sc= 0 X(o=-0.008,f=-0.27) USER MOD Set 1.2: A 90 MET CE :methyl 161:sc=-0.00805 (180deg=-0.451) USER MOD Single : A 1 ILE N :NH3+ -154:sc=-0.00419 (180deg=-0.412) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0878 K(o=-0.088,f=-1.9!) USER MOD Single : A 14 THR OG1 : rot 95:sc= 1.1 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 104:sc= 0.0165 USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= -0.217 (180deg=-0.239) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0721 USER MOD Single : A 43 ASN : amide:sc=-0.00849 X(o=-0.0085,f=0.002) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= 0.0339 (180deg=0.0196) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -147:sc= -0.378 (180deg=-1.76!) USER MOD Single : A 71 ASN : amide:sc= -2.09 X(o=-2.1,f=-2.4!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-3) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -170:sc= -0.987 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 89:sc= 0.944 USER MOD Single : A 93 ASN : amide:sc= -8.41! C(o=-8.4!,f=-9.3!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -14.323 16.049 17.448 1.00 0.00 N ATOM 2 CA ILE A 1 -12.886 15.874 17.326 1.00 0.00 C ATOM 3 C ILE A 1 -12.510 15.795 15.845 1.00 0.00 C ATOM 4 O ILE A 1 -12.291 14.707 15.314 1.00 0.00 O ATOM 5 CB ILE A 1 -12.421 14.668 18.144 1.00 0.00 C ATOM 6 CG1 ILE A 1 -12.820 14.815 19.614 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.918 14.438 17.978 1.00 0.00 C ATOM 8 CD1 ILE A 1 -13.970 13.871 19.968 1.00 0.00 C ATOM 0 H1 ILE A 1 -14.539 16.529 18.345 1.00 0.00 H new ATOM 0 H2 ILE A 1 -14.671 16.625 16.655 1.00 0.00 H new ATOM 0 H3 ILE A 1 -14.789 15.119 17.431 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.361 16.733 17.743 1.00 0.00 H new ATOM 0 HB ILE A 1 -12.926 13.781 17.761 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.961 14.602 20.250 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -13.116 15.845 19.813 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -10.614 13.575 18.570 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.692 14.255 16.928 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -10.375 15.320 18.318 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -14.233 13.996 21.018 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -14.835 14.103 19.347 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -13.662 12.840 19.792 1.00 0.00 H new ATOM 20 N SER A 2 -12.446 16.961 15.220 1.00 0.00 N ATOM 21 CA SER A 2 -12.100 17.038 13.811 1.00 0.00 C ATOM 22 C SER A 2 -10.789 16.293 13.553 1.00 0.00 C ATOM 23 O SER A 2 -10.738 15.389 12.720 1.00 0.00 O ATOM 24 CB SER A 2 -11.984 18.492 13.351 1.00 0.00 C ATOM 25 OG SER A 2 -13.209 18.981 12.811 1.00 0.00 O ATOM 0 H SER A 2 -12.628 17.861 15.664 1.00 0.00 H new ATOM 0 HA SER A 2 -12.897 16.567 13.237 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.685 19.116 14.193 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.199 18.573 12.599 1.00 0.00 H new ATOM 0 HG SER A 2 -13.094 19.913 12.531 1.00 0.00 H new ATOM 31 N GLU A 3 -9.761 16.699 14.284 1.00 0.00 N ATOM 32 CA GLU A 3 -8.453 16.081 14.144 1.00 0.00 C ATOM 33 C GLU A 3 -7.904 16.314 12.736 1.00 0.00 C ATOM 34 O GLU A 3 -8.663 16.362 11.769 1.00 0.00 O ATOM 35 CB GLU A 3 -8.515 14.587 14.468 1.00 0.00 C ATOM 36 CG GLU A 3 -7.833 14.287 15.804 1.00 0.00 C ATOM 37 CD GLU A 3 -7.986 12.811 16.179 1.00 0.00 C ATOM 38 OE1 GLU A 3 -9.055 12.250 15.852 1.00 0.00 O ATOM 39 OE2 GLU A 3 -7.032 12.277 16.784 1.00 0.00 O ATOM 0 H GLU A 3 -9.807 17.448 14.975 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.775 16.546 14.859 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.555 14.262 14.505 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.032 14.019 13.673 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.775 14.542 15.742 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.266 14.911 16.586 1.00 0.00 H new ATOM 46 N PHE A 4 -6.588 16.453 12.664 1.00 0.00 N ATOM 47 CA PHE A 4 -5.928 16.680 11.389 1.00 0.00 C ATOM 48 C PHE A 4 -6.572 15.844 10.282 1.00 0.00 C ATOM 49 O PHE A 4 -6.955 16.377 9.241 1.00 0.00 O ATOM 50 CB PHE A 4 -4.470 16.245 11.557 1.00 0.00 C ATOM 51 CG PHE A 4 -3.463 17.391 11.447 1.00 0.00 C ATOM 52 CD1 PHE A 4 -3.253 18.000 10.249 1.00 0.00 C ATOM 53 CD2 PHE A 4 -2.777 17.801 12.547 1.00 0.00 C ATOM 54 CE1 PHE A 4 -2.318 19.064 10.147 1.00 0.00 C ATOM 55 CE2 PHE A 4 -1.841 18.865 12.445 1.00 0.00 C ATOM 56 CZ PHE A 4 -1.632 19.474 11.247 1.00 0.00 C ATOM 0 H PHE A 4 -5.961 16.413 13.468 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.010 17.730 11.109 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.354 15.765 12.529 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.236 15.495 10.801 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.798 17.674 9.375 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.944 17.318 13.498 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.152 19.548 9.196 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.296 19.190 13.319 1.00 0.00 H new ATOM 0 HZ PHE A 4 -0.921 20.283 11.169 1.00 0.00 H new ATOM 66 N ALA A 5 -6.673 14.549 10.543 1.00 0.00 N ATOM 67 CA ALA A 5 -7.265 13.635 9.581 1.00 0.00 C ATOM 68 C ALA A 5 -6.399 13.598 8.320 1.00 0.00 C ATOM 69 O ALA A 5 -6.547 14.441 7.436 1.00 0.00 O ATOM 70 CB ALA A 5 -8.704 14.064 9.288 1.00 0.00 C ATOM 0 H ALA A 5 -6.355 14.111 11.407 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.302 12.623 9.985 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.148 13.378 8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.284 14.046 10.211 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.706 15.074 8.878 1.00 0.00 H new ATOM 76 N PRO A 6 -5.491 12.586 8.276 1.00 0.00 N ATOM 77 CA PRO A 6 -4.602 12.428 7.138 1.00 0.00 C ATOM 78 C PRO A 6 -5.350 11.856 5.932 1.00 0.00 C ATOM 79 O PRO A 6 -6.347 11.153 6.092 1.00 0.00 O ATOM 80 CB PRO A 6 -3.488 11.519 7.632 1.00 0.00 C ATOM 81 CG PRO A 6 -4.033 10.830 8.872 1.00 0.00 C ATOM 82 CD PRO A 6 -5.288 11.570 9.304 1.00 0.00 C ATOM 0 HA PRO A 6 -4.197 13.377 6.786 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -3.211 10.790 6.870 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.591 12.092 7.866 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.260 9.785 8.659 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.291 10.839 9.670 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.142 10.896 9.369 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.163 12.022 10.288 1.00 0.00 H new ATOM 90 N VAL A 7 -4.841 12.179 4.752 1.00 0.00 N ATOM 91 CA VAL A 7 -5.449 11.705 3.520 1.00 0.00 C ATOM 92 C VAL A 7 -5.569 10.181 3.569 1.00 0.00 C ATOM 93 O VAL A 7 -6.416 9.600 2.892 1.00 0.00 O ATOM 94 CB VAL A 7 -4.648 12.204 2.316 1.00 0.00 C ATOM 95 CG1 VAL A 7 -5.307 11.777 1.003 1.00 0.00 C ATOM 96 CG2 VAL A 7 -4.465 13.722 2.369 1.00 0.00 C ATOM 0 H VAL A 7 -4.015 12.763 4.623 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.457 12.106 3.412 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.660 11.746 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.717 12.145 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.361 10.689 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.313 12.192 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.892 14.050 1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.441 14.207 2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.931 13.992 3.280 1.00 0.00 H new ATOM 106 N ASP A 8 -4.709 9.577 4.375 1.00 0.00 N ATOM 107 CA ASP A 8 -4.708 8.131 4.521 1.00 0.00 C ATOM 108 C ASP A 8 -4.439 7.486 3.160 1.00 0.00 C ATOM 109 O ASP A 8 -4.721 8.080 2.120 1.00 0.00 O ATOM 110 CB ASP A 8 -6.062 7.627 5.023 1.00 0.00 C ATOM 111 CG ASP A 8 -6.199 7.549 6.545 1.00 0.00 C ATOM 112 OD1 ASP A 8 -5.141 7.557 7.211 1.00 0.00 O ATOM 113 OD2 ASP A 8 -7.358 7.483 7.008 1.00 0.00 O ATOM 0 H ASP A 8 -4.008 10.062 4.934 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.935 7.865 5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.843 8.282 4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.241 6.636 4.606 1.00 0.00 H new ATOM 118 N CYS A 9 -3.896 6.278 3.210 1.00 0.00 N ATOM 119 CA CYS A 9 -3.586 5.546 1.994 1.00 0.00 C ATOM 120 C CYS A 9 -3.984 4.083 2.199 1.00 0.00 C ATOM 121 O CYS A 9 -4.708 3.513 1.385 1.00 0.00 O ATOM 122 CB CYS A 9 -2.112 5.688 1.609 1.00 0.00 C ATOM 123 SG CYS A 9 -1.680 7.269 0.795 1.00 0.00 S ATOM 0 H CYS A 9 -3.663 5.788 4.074 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.153 5.962 1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.504 5.580 2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.844 4.868 0.943 1.00 0.00 H new ATOM 128 N LYS A 10 -3.493 3.517 3.292 1.00 0.00 N ATOM 129 CA LYS A 10 -3.788 2.132 3.614 1.00 0.00 C ATOM 130 C LYS A 10 -5.282 1.871 3.406 1.00 0.00 C ATOM 131 O LYS A 10 -5.668 1.164 2.477 1.00 0.00 O ATOM 132 CB LYS A 10 -3.296 1.792 5.023 1.00 0.00 C ATOM 133 CG LYS A 10 -2.618 0.421 5.051 1.00 0.00 C ATOM 134 CD LYS A 10 -1.435 0.414 6.022 1.00 0.00 C ATOM 135 CE LYS A 10 -1.131 -1.006 6.504 1.00 0.00 C ATOM 136 NZ LYS A 10 -0.094 -1.631 5.653 1.00 0.00 N ATOM 0 H LYS A 10 -2.893 3.993 3.965 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.250 1.463 2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.595 2.555 5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.136 1.800 5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.340 -0.340 5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.273 0.161 4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.555 0.832 5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.658 1.052 6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.793 -0.980 7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.040 -1.607 6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.101 -2.594 5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.431 -1.673 4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.778 -1.066 5.697 1.00 0.00 H new ATOM 150 N GLY A 11 -6.080 2.456 4.286 1.00 0.00 N ATOM 151 CA GLY A 11 -7.522 2.297 4.211 1.00 0.00 C ATOM 152 C GLY A 11 -8.029 2.556 2.790 1.00 0.00 C ATOM 153 O GLY A 11 -8.582 1.662 2.152 1.00 0.00 O ATOM 0 H GLY A 11 -5.755 3.041 5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.797 1.289 4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.004 2.986 4.904 1.00 0.00 H new ATOM 157 N GLN A 12 -7.822 3.784 2.338 1.00 0.00 N ATOM 158 CA GLN A 12 -8.251 4.172 1.005 1.00 0.00 C ATOM 159 C GLN A 12 -7.957 3.052 0.005 1.00 0.00 C ATOM 160 O GLN A 12 -8.749 2.802 -0.903 1.00 0.00 O ATOM 161 CB GLN A 12 -7.584 5.480 0.574 1.00 0.00 C ATOM 162 CG GLN A 12 -8.497 6.677 0.845 1.00 0.00 C ATOM 163 CD GLN A 12 -9.526 6.847 -0.275 1.00 0.00 C ATOM 164 OE1 GLN A 12 -10.362 5.994 -0.519 1.00 0.00 O ATOM 165 NE2 GLN A 12 -9.417 7.994 -0.939 1.00 0.00 N ATOM 0 H GLN A 12 -7.363 4.523 2.871 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.328 4.340 1.026 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.644 5.607 1.110 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.342 5.436 -0.488 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.010 6.539 1.797 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.898 7.583 0.934 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.693 8.665 -0.682 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.057 8.203 -1.705 1.00 0.00 H new ATOM 174 N CYS A 13 -6.818 2.406 0.206 1.00 0.00 N ATOM 175 CA CYS A 13 -6.410 1.318 -0.666 1.00 0.00 C ATOM 176 C CYS A 13 -7.080 0.033 -0.176 1.00 0.00 C ATOM 177 O CYS A 13 -6.400 -0.921 0.200 1.00 0.00 O ATOM 178 CB CYS A 13 -4.888 1.181 -0.726 1.00 0.00 C ATOM 179 SG CYS A 13 -4.024 2.570 -1.548 1.00 0.00 S ATOM 0 H CYS A 13 -6.164 2.615 0.961 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.730 1.527 -1.687 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.506 1.084 0.290 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.641 0.257 -1.249 1.00 0.00 H new ATOM 184 N THR A 14 -8.405 0.049 -0.195 1.00 0.00 N ATOM 185 CA THR A 14 -9.174 -1.104 0.243 1.00 0.00 C ATOM 186 C THR A 14 -9.541 -1.985 -0.953 1.00 0.00 C ATOM 187 O THR A 14 -9.618 -3.206 -0.827 1.00 0.00 O ATOM 188 CB THR A 14 -10.390 -0.593 1.018 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.888 -0.348 2.329 1.00 0.00 O ATOM 190 CG2 THR A 14 -11.451 -1.677 1.222 1.00 0.00 C ATOM 0 H THR A 14 -8.966 0.842 -0.507 1.00 0.00 H new ATOM 0 HA THR A 14 -8.590 -1.740 0.908 1.00 0.00 H new ATOM 0 HB THR A 14 -10.830 0.251 0.488 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.638 0.596 2.412 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.293 -1.263 1.777 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.797 -2.035 0.252 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.020 -2.507 1.782 1.00 0.00 H new ATOM 198 N THR A 15 -9.758 -1.331 -2.084 1.00 0.00 N ATOM 199 CA THR A 15 -10.116 -2.040 -3.301 1.00 0.00 C ATOM 200 C THR A 15 -8.901 -2.783 -3.862 1.00 0.00 C ATOM 201 O THR A 15 -8.999 -3.953 -4.229 1.00 0.00 O ATOM 202 CB THR A 15 -10.714 -1.028 -4.280 1.00 0.00 C ATOM 203 OG1 THR A 15 -12.122 -1.201 -4.140 1.00 0.00 O ATOM 204 CG2 THR A 15 -10.437 -1.391 -5.740 1.00 0.00 C ATOM 0 H THR A 15 -9.693 -0.318 -2.184 1.00 0.00 H new ATOM 0 HA THR A 15 -10.866 -2.807 -3.106 1.00 0.00 H new ATOM 0 HB THR A 15 -10.310 -0.037 -4.070 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.589 -0.581 -4.739 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.883 -0.640 -6.392 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.361 -1.425 -5.909 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.870 -2.367 -5.961 1.00 0.00 H new ATOM 212 N PRO A 16 -7.755 -2.053 -3.913 1.00 0.00 N ATOM 213 CA PRO A 16 -6.523 -2.630 -4.423 1.00 0.00 C ATOM 214 C PRO A 16 -5.906 -3.593 -3.407 1.00 0.00 C ATOM 215 O PRO A 16 -5.063 -4.417 -3.758 1.00 0.00 O ATOM 216 CB PRO A 16 -5.629 -1.440 -4.732 1.00 0.00 C ATOM 217 CG PRO A 16 -6.210 -0.270 -3.954 1.00 0.00 C ATOM 218 CD PRO A 16 -7.601 -0.665 -3.488 1.00 0.00 C ATOM 0 HA PRO A 16 -6.681 -3.235 -5.316 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.600 -1.636 -4.432 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.614 -1.229 -5.801 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.577 -0.027 -3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.256 0.620 -4.581 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.698 -0.569 -2.407 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.364 -0.027 -3.934 1.00 0.00 H new ATOM 226 N CYS A 17 -6.350 -3.456 -2.166 1.00 0.00 N ATOM 227 CA CYS A 17 -5.852 -4.304 -1.095 1.00 0.00 C ATOM 228 C CYS A 17 -7.022 -5.124 -0.548 1.00 0.00 C ATOM 229 O CYS A 17 -6.982 -5.585 0.592 1.00 0.00 O ATOM 230 CB CYS A 17 -5.166 -3.486 0.001 1.00 0.00 C ATOM 231 SG CYS A 17 -4.036 -2.182 -0.608 1.00 0.00 S ATOM 0 H CYS A 17 -7.049 -2.771 -1.878 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.089 -4.978 -1.485 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.932 -3.022 0.622 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.603 -4.164 0.643 1.00 0.00 H new ATOM 236 N GLU A 18 -8.036 -5.280 -1.386 1.00 0.00 N ATOM 237 CA GLU A 18 -9.216 -6.036 -1.000 1.00 0.00 C ATOM 238 C GLU A 18 -8.925 -7.537 -1.055 1.00 0.00 C ATOM 239 O GLU A 18 -9.178 -8.258 -0.091 1.00 0.00 O ATOM 240 CB GLU A 18 -10.411 -5.676 -1.884 1.00 0.00 C ATOM 241 CG GLU A 18 -11.575 -5.146 -1.043 1.00 0.00 C ATOM 242 CD GLU A 18 -12.895 -5.798 -1.462 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.120 -6.950 -1.033 1.00 0.00 O ATOM 244 OE2 GLU A 18 -13.648 -5.129 -2.201 1.00 0.00 O ATOM 0 H GLU A 18 -8.065 -4.896 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.473 -5.773 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.114 -4.924 -2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.732 -6.555 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.386 -5.344 0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.647 -4.064 -1.156 1.00 0.00 H new ATOM 251 N PRO A 19 -8.385 -7.975 -2.224 1.00 0.00 N ATOM 252 CA PRO A 19 -8.058 -9.378 -2.418 1.00 0.00 C ATOM 253 C PRO A 19 -6.790 -9.756 -1.650 1.00 0.00 C ATOM 254 O PRO A 19 -6.684 -10.864 -1.126 1.00 0.00 O ATOM 255 CB PRO A 19 -7.913 -9.544 -3.922 1.00 0.00 C ATOM 256 CG PRO A 19 -7.705 -8.144 -4.477 1.00 0.00 C ATOM 257 CD PRO A 19 -8.073 -7.150 -3.387 1.00 0.00 C ATOM 0 HA PRO A 19 -8.826 -10.047 -2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.069 -10.190 -4.164 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.802 -10.007 -4.352 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.669 -8.006 -4.785 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.324 -7.988 -5.361 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.249 -6.467 -3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.927 -6.539 -3.680 1.00 0.00 H new ATOM 265 N LEU A 20 -5.859 -8.814 -1.606 1.00 0.00 N ATOM 266 CA LEU A 20 -4.603 -9.034 -0.911 1.00 0.00 C ATOM 267 C LEU A 20 -4.885 -9.325 0.565 1.00 0.00 C ATOM 268 O LEU A 20 -4.625 -10.427 1.045 1.00 0.00 O ATOM 269 CB LEU A 20 -3.652 -7.856 -1.135 1.00 0.00 C ATOM 270 CG LEU A 20 -2.671 -7.561 0.001 1.00 0.00 C ATOM 271 CD1 LEU A 20 -1.513 -8.561 -0.001 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.179 -6.114 -0.061 1.00 0.00 C ATOM 0 H LEU A 20 -5.950 -7.896 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.092 -9.907 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.079 -8.045 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.249 -6.962 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.198 -7.681 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.830 -8.329 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.904 -9.570 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.979 -8.497 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.483 -5.931 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.674 -5.942 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.029 -5.437 0.027 1.00 0.00 H new ATOM 284 N THR A 21 -5.415 -8.317 1.242 1.00 0.00 N ATOM 285 CA THR A 21 -5.736 -8.450 2.653 1.00 0.00 C ATOM 286 C THR A 21 -6.356 -9.821 2.931 1.00 0.00 C ATOM 287 O THR A 21 -5.822 -10.600 3.719 1.00 0.00 O ATOM 288 CB THR A 21 -6.643 -7.282 3.044 1.00 0.00 C ATOM 289 OG1 THR A 21 -5.738 -6.214 3.312 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.353 -7.513 4.379 1.00 0.00 C ATOM 0 H THR A 21 -5.630 -7.405 0.840 1.00 0.00 H new ATOM 0 HA THR A 21 -4.838 -8.403 3.269 1.00 0.00 H new ATOM 0 HB THR A 21 -7.385 -7.121 2.262 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.742 -5.585 2.560 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.984 -6.654 4.609 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.970 -8.409 4.313 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.612 -7.641 5.168 1.00 0.00 H new ATOM 298 N ALA A 22 -7.476 -10.073 2.270 1.00 0.00 N ATOM 299 CA ALA A 22 -8.175 -11.336 2.436 1.00 0.00 C ATOM 300 C ALA A 22 -7.186 -12.489 2.257 1.00 0.00 C ATOM 301 O ALA A 22 -7.252 -13.486 2.975 1.00 0.00 O ATOM 302 CB ALA A 22 -9.341 -11.409 1.448 1.00 0.00 C ATOM 0 H ALA A 22 -7.917 -9.424 1.618 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.593 -11.413 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.865 -12.357 1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.030 -10.586 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.960 -11.337 0.429 1.00 0.00 H new ATOM 308 N CYS A 23 -6.291 -12.315 1.296 1.00 0.00 N ATOM 309 CA CYS A 23 -5.289 -13.328 1.013 1.00 0.00 C ATOM 310 C CYS A 23 -4.542 -13.640 2.311 1.00 0.00 C ATOM 311 O CYS A 23 -4.522 -14.785 2.760 1.00 0.00 O ATOM 312 CB CYS A 23 -4.337 -12.888 -0.101 1.00 0.00 C ATOM 313 SG CYS A 23 -3.657 -14.253 -1.113 1.00 0.00 S ATOM 0 H CYS A 23 -6.239 -11.487 0.703 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.776 -14.232 0.648 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.864 -12.195 -0.757 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.509 -12.337 0.345 1.00 0.00 H new ATOM 318 N LYS A 24 -3.945 -12.602 2.877 1.00 0.00 N ATOM 319 CA LYS A 24 -3.199 -12.751 4.115 1.00 0.00 C ATOM 320 C LYS A 24 -4.131 -13.278 5.208 1.00 0.00 C ATOM 321 O LYS A 24 -3.835 -14.286 5.848 1.00 0.00 O ATOM 322 CB LYS A 24 -2.502 -11.439 4.482 1.00 0.00 C ATOM 323 CG LYS A 24 -1.273 -11.206 3.601 1.00 0.00 C ATOM 324 CD LYS A 24 -0.660 -9.829 3.867 1.00 0.00 C ATOM 325 CE LYS A 24 0.785 -9.957 4.352 1.00 0.00 C ATOM 326 NZ LYS A 24 1.653 -10.465 3.265 1.00 0.00 N ATOM 0 H LYS A 24 -3.963 -11.654 2.501 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.403 -13.485 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.199 -10.609 4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.203 -11.462 5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.531 -11.981 3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.554 -11.286 2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.690 -9.231 2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.253 -9.301 4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.148 -8.987 4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.830 -10.632 5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.650 -10.387 3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.424 -11.462 3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.495 -9.904 2.404 1.00 0.00 H new ATOM 340 N GLU A 25 -5.238 -12.574 5.387 1.00 0.00 N ATOM 341 CA GLU A 25 -6.216 -12.958 6.391 1.00 0.00 C ATOM 342 C GLU A 25 -6.545 -14.447 6.268 1.00 0.00 C ATOM 343 O GLU A 25 -6.262 -15.227 7.176 1.00 0.00 O ATOM 344 CB GLU A 25 -7.481 -12.106 6.279 1.00 0.00 C ATOM 345 CG GLU A 25 -7.744 -11.342 7.579 1.00 0.00 C ATOM 346 CD GLU A 25 -8.747 -12.090 8.461 1.00 0.00 C ATOM 347 OE1 GLU A 25 -8.286 -12.958 9.234 1.00 0.00 O ATOM 348 OE2 GLU A 25 -9.951 -11.777 8.341 1.00 0.00 O ATOM 0 H GLU A 25 -5.480 -11.739 4.854 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.785 -12.781 7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.378 -11.402 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.334 -12.744 6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.808 -11.206 8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.127 -10.348 7.350 1.00 0.00 H new ATOM 355 N LYS A 26 -7.139 -14.798 5.136 1.00 0.00 N ATOM 356 CA LYS A 26 -7.510 -16.180 4.883 1.00 0.00 C ATOM 357 C LYS A 26 -6.408 -17.103 5.406 1.00 0.00 C ATOM 358 O LYS A 26 -6.694 -18.139 6.006 1.00 0.00 O ATOM 359 CB LYS A 26 -7.832 -16.385 3.401 1.00 0.00 C ATOM 360 CG LYS A 26 -8.852 -17.509 3.212 1.00 0.00 C ATOM 361 CD LYS A 26 -9.825 -17.182 2.077 1.00 0.00 C ATOM 362 CE LYS A 26 -10.295 -18.456 1.374 1.00 0.00 C ATOM 363 NZ LYS A 26 -11.236 -18.127 0.280 1.00 0.00 N ATOM 0 H LYS A 26 -7.372 -14.149 4.384 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.422 -16.435 5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.223 -15.459 2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.918 -16.623 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.333 -18.442 2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.406 -17.661 4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.685 -16.643 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.341 -16.522 1.357 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.437 -18.995 0.973 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.780 -19.117 2.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.545 -19.003 -0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.063 -17.632 0.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.762 -17.514 -0.413 1.00 0.00 H new ATOM 377 N CYS A 27 -5.172 -16.695 5.161 1.00 0.00 N ATOM 378 CA CYS A 27 -4.026 -17.473 5.600 1.00 0.00 C ATOM 379 C CYS A 27 -3.906 -17.336 7.119 1.00 0.00 C ATOM 380 O CYS A 27 -3.905 -18.335 7.838 1.00 0.00 O ATOM 381 CB CYS A 27 -2.743 -17.044 4.885 1.00 0.00 C ATOM 382 SG CYS A 27 -2.425 -17.900 3.300 1.00 0.00 S ATOM 0 H CYS A 27 -4.939 -15.835 4.664 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.174 -18.521 5.341 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.789 -15.971 4.699 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.898 -17.217 5.551 1.00 0.00 H new ATOM 387 N ALA A 28 -3.808 -16.092 7.563 1.00 0.00 N ATOM 388 CA ALA A 28 -3.688 -15.811 8.984 1.00 0.00 C ATOM 389 C ALA A 28 -4.665 -16.698 9.759 1.00 0.00 C ATOM 390 O ALA A 28 -4.289 -17.326 10.747 1.00 0.00 O ATOM 391 CB ALA A 28 -3.930 -14.321 9.233 1.00 0.00 C ATOM 0 H ALA A 28 -3.809 -15.267 6.964 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.683 -16.041 9.337 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.840 -14.111 10.299 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.192 -13.736 8.684 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.931 -14.053 8.894 1.00 0.00 H new ATOM 397 N GLU A 29 -5.900 -16.721 9.280 1.00 0.00 N ATOM 398 CA GLU A 29 -6.934 -17.520 9.916 1.00 0.00 C ATOM 399 C GLU A 29 -6.582 -19.007 9.833 1.00 0.00 C ATOM 400 O GLU A 29 -6.796 -19.753 10.787 1.00 0.00 O ATOM 401 CB GLU A 29 -8.302 -17.246 9.289 1.00 0.00 C ATOM 402 CG GLU A 29 -8.871 -15.911 9.776 1.00 0.00 C ATOM 403 CD GLU A 29 -9.439 -16.041 11.190 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.517 -16.661 11.314 1.00 0.00 O ATOM 405 OE2 GLU A 29 -8.783 -15.516 12.116 1.00 0.00 O ATOM 0 H GLU A 29 -6.208 -16.199 8.459 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.989 -17.237 10.967 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.212 -17.233 8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.990 -18.053 9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.089 -15.152 9.763 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.653 -15.575 9.095 1.00 0.00 H new ATOM 412 N SER A 30 -6.046 -19.392 8.684 1.00 0.00 N ATOM 413 CA SER A 30 -5.662 -20.776 8.465 1.00 0.00 C ATOM 414 C SER A 30 -4.206 -20.988 8.885 1.00 0.00 C ATOM 415 O SER A 30 -3.550 -21.918 8.417 1.00 0.00 O ATOM 416 CB SER A 30 -5.856 -21.176 7.001 1.00 0.00 C ATOM 417 OG SER A 30 -6.714 -22.306 6.866 1.00 0.00 O ATOM 0 H SER A 30 -5.869 -18.770 7.895 1.00 0.00 H new ATOM 0 HA SER A 30 -6.305 -21.410 9.075 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.274 -20.335 6.448 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.887 -21.401 6.555 1.00 0.00 H new ATOM 0 HG SER A 30 -6.814 -22.529 5.917 1.00 0.00 H new ATOM 423 N CYS A 31 -3.742 -20.109 9.761 1.00 0.00 N ATOM 424 CA CYS A 31 -2.376 -20.188 10.249 1.00 0.00 C ATOM 425 C CYS A 31 -2.282 -19.384 11.547 1.00 0.00 C ATOM 426 O CYS A 31 -1.263 -18.751 11.817 1.00 0.00 O ATOM 427 CB CYS A 31 -1.373 -19.701 9.202 1.00 0.00 C ATOM 428 SG CYS A 31 -0.778 -20.992 8.049 1.00 0.00 S ATOM 0 H CYS A 31 -4.288 -19.338 10.146 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.118 -21.228 10.448 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.834 -18.901 8.623 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.514 -19.269 9.716 1.00 0.00 H new ATOM 433 N GLU A 32 -3.359 -19.436 12.317 1.00 0.00 N ATOM 434 CA GLU A 32 -3.411 -18.720 13.581 1.00 0.00 C ATOM 435 C GLU A 32 -2.728 -19.535 14.681 1.00 0.00 C ATOM 436 O GLU A 32 -1.731 -19.099 15.253 1.00 0.00 O ATOM 437 CB GLU A 32 -4.854 -18.385 13.962 1.00 0.00 C ATOM 438 CG GLU A 32 -5.074 -16.871 13.998 1.00 0.00 C ATOM 439 CD GLU A 32 -6.320 -16.518 14.813 1.00 0.00 C ATOM 440 OE1 GLU A 32 -7.219 -17.383 14.880 1.00 0.00 O ATOM 441 OE2 GLU A 32 -6.346 -15.389 15.351 1.00 0.00 O ATOM 0 H GLU A 32 -4.203 -19.963 12.090 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.873 -17.779 13.466 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.538 -18.839 13.245 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.085 -18.813 14.937 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.201 -16.383 14.432 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.180 -16.491 12.982 1.00 0.00 H new ATOM 448 N THR A 33 -3.294 -20.704 14.944 1.00 0.00 N ATOM 449 CA THR A 33 -2.752 -21.584 15.965 1.00 0.00 C ATOM 450 C THR A 33 -1.244 -21.761 15.772 1.00 0.00 C ATOM 451 O THR A 33 -0.519 -22.025 16.730 1.00 0.00 O ATOM 452 CB THR A 33 -3.529 -22.901 15.916 1.00 0.00 C ATOM 453 OG1 THR A 33 -3.377 -23.344 14.570 1.00 0.00 O ATOM 454 CG2 THR A 33 -5.038 -22.697 16.073 1.00 0.00 C ATOM 0 H THR A 33 -4.122 -21.062 14.468 1.00 0.00 H new ATOM 0 HA THR A 33 -2.873 -21.156 16.960 1.00 0.00 H new ATOM 0 HB THR A 33 -3.169 -23.564 16.702 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.849 -24.194 14.450 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.542 -23.663 16.031 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.243 -22.222 17.032 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.405 -22.061 15.267 1.00 0.00 H new ATOM 462 N SER A 34 -0.818 -21.608 14.527 1.00 0.00 N ATOM 463 CA SER A 34 0.590 -21.747 14.197 1.00 0.00 C ATOM 464 C SER A 34 1.444 -20.972 15.202 1.00 0.00 C ATOM 465 O SER A 34 1.090 -19.861 15.595 1.00 0.00 O ATOM 466 CB SER A 34 0.873 -21.260 12.774 1.00 0.00 C ATOM 467 OG SER A 34 1.956 -21.964 12.174 1.00 0.00 O ATOM 0 H SER A 34 -1.423 -21.389 13.735 1.00 0.00 H new ATOM 0 HA SER A 34 0.850 -22.804 14.249 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.022 -21.384 12.164 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.100 -20.194 12.794 1.00 0.00 H new ATOM 0 HG SER A 34 2.104 -21.625 11.266 1.00 0.00 H new ATOM 473 N ALA A 35 2.551 -21.588 15.590 1.00 0.00 N ATOM 474 CA ALA A 35 3.457 -20.969 16.542 1.00 0.00 C ATOM 475 C ALA A 35 3.980 -19.654 15.962 1.00 0.00 C ATOM 476 O ALA A 35 4.034 -18.642 16.659 1.00 0.00 O ATOM 477 CB ALA A 35 4.585 -21.946 16.882 1.00 0.00 C ATOM 0 H ALA A 35 2.841 -22.509 15.262 1.00 0.00 H new ATOM 0 HA ALA A 35 2.937 -20.735 17.471 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.265 -21.482 17.596 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.163 -22.851 17.318 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.131 -22.201 15.974 1.00 0.00 H new ATOM 483 N ASP A 36 4.351 -19.711 14.691 1.00 0.00 N ATOM 484 CA ASP A 36 4.867 -18.536 14.009 1.00 0.00 C ATOM 485 C ASP A 36 3.922 -18.158 12.867 1.00 0.00 C ATOM 486 O ASP A 36 4.340 -18.073 11.713 1.00 0.00 O ATOM 487 CB ASP A 36 6.248 -18.810 13.410 1.00 0.00 C ATOM 488 CG ASP A 36 7.245 -19.477 14.359 1.00 0.00 C ATOM 489 OD1 ASP A 36 6.956 -19.478 15.576 1.00 0.00 O ATOM 490 OD2 ASP A 36 8.273 -19.970 13.848 1.00 0.00 O ATOM 0 H ASP A 36 4.305 -20.552 14.116 1.00 0.00 H new ATOM 0 HA ASP A 36 4.944 -17.729 14.738 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.127 -19.443 12.531 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.672 -17.866 13.067 1.00 0.00 H new ATOM 495 N LYS A 37 2.666 -17.942 13.228 1.00 0.00 N ATOM 496 CA LYS A 37 1.658 -17.576 12.247 1.00 0.00 C ATOM 497 C LYS A 37 2.254 -16.568 11.263 1.00 0.00 C ATOM 498 O LYS A 37 1.932 -16.590 10.076 1.00 0.00 O ATOM 499 CB LYS A 37 0.389 -17.079 12.943 1.00 0.00 C ATOM 500 CG LYS A 37 0.709 -15.955 13.930 1.00 0.00 C ATOM 501 CD LYS A 37 -0.420 -15.780 14.947 1.00 0.00 C ATOM 502 CE LYS A 37 -0.170 -16.628 16.196 1.00 0.00 C ATOM 503 NZ LYS A 37 -0.039 -15.765 17.391 1.00 0.00 N ATOM 0 H LYS A 37 2.323 -18.013 14.186 1.00 0.00 H new ATOM 0 HA LYS A 37 1.355 -18.448 11.667 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.322 -16.722 12.198 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.088 -17.905 13.470 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.641 -16.178 14.450 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.862 -15.022 13.387 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.503 -14.730 15.227 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.370 -16.065 14.494 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.991 -17.331 16.336 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.737 -17.219 16.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.130 -16.356 18.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.760 -15.111 17.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.915 -15.220 17.523 1.00 0.00 H new ATOM 517 N LYS A 38 3.111 -15.707 11.792 1.00 0.00 N ATOM 518 CA LYS A 38 3.754 -14.693 10.974 1.00 0.00 C ATOM 519 C LYS A 38 4.357 -15.352 9.732 1.00 0.00 C ATOM 520 O LYS A 38 3.944 -15.063 8.610 1.00 0.00 O ATOM 521 CB LYS A 38 4.768 -13.901 11.803 1.00 0.00 C ATOM 522 CG LYS A 38 4.693 -12.407 11.479 1.00 0.00 C ATOM 523 CD LYS A 38 3.999 -11.637 12.605 1.00 0.00 C ATOM 524 CE LYS A 38 3.955 -10.139 12.297 1.00 0.00 C ATOM 525 NZ LYS A 38 2.565 -9.707 12.026 1.00 0.00 N ATOM 0 H LYS A 38 3.375 -15.691 12.777 1.00 0.00 H new ATOM 0 HA LYS A 38 3.022 -13.965 10.625 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.576 -14.057 12.865 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.774 -14.270 11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.698 -12.013 11.329 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.151 -12.260 10.545 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.985 -12.015 12.738 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.527 -11.804 13.544 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.360 -9.576 13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.585 -9.920 11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.552 -8.688 11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.192 -10.231 11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.973 -9.898 12.860 1.00 0.00 H new ATOM 539 N THR A 39 5.322 -16.226 9.974 1.00 0.00 N ATOM 540 CA THR A 39 5.985 -16.929 8.889 1.00 0.00 C ATOM 541 C THR A 39 4.972 -17.329 7.815 1.00 0.00 C ATOM 542 O THR A 39 5.111 -16.950 6.653 1.00 0.00 O ATOM 543 CB THR A 39 6.739 -18.119 9.486 1.00 0.00 C ATOM 544 OG1 THR A 39 7.510 -17.548 10.540 1.00 0.00 O ATOM 545 CG2 THR A 39 7.785 -18.691 8.527 1.00 0.00 C ATOM 0 H THR A 39 5.661 -16.464 10.906 1.00 0.00 H new ATOM 0 HA THR A 39 6.708 -16.287 8.386 1.00 0.00 H new ATOM 0 HB THR A 39 6.028 -18.900 9.755 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.030 -18.251 10.983 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.291 -19.533 9.000 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.295 -19.029 7.614 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.515 -17.920 8.283 1.00 0.00 H new ATOM 553 N CYS A 40 3.975 -18.090 8.241 1.00 0.00 N ATOM 554 CA CYS A 40 2.938 -18.545 7.330 1.00 0.00 C ATOM 555 C CYS A 40 2.296 -17.317 6.681 1.00 0.00 C ATOM 556 O CYS A 40 2.391 -17.131 5.469 1.00 0.00 O ATOM 557 CB CYS A 40 1.905 -19.420 8.042 1.00 0.00 C ATOM 558 SG CYS A 40 0.683 -20.218 6.937 1.00 0.00 S ATOM 0 H CYS A 40 3.863 -18.403 9.205 1.00 0.00 H new ATOM 0 HA CYS A 40 3.379 -19.174 6.557 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.429 -20.195 8.601 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.371 -18.809 8.770 1.00 0.00 H new ATOM 563 N ARG A 41 1.657 -16.512 7.516 1.00 0.00 N ATOM 564 CA ARG A 41 1.000 -15.308 7.038 1.00 0.00 C ATOM 565 C ARG A 41 1.870 -14.606 5.994 1.00 0.00 C ATOM 566 O ARG A 41 1.379 -14.205 4.939 1.00 0.00 O ATOM 567 CB ARG A 41 0.718 -14.340 8.190 1.00 0.00 C ATOM 568 CG ARG A 41 -0.524 -14.768 8.974 1.00 0.00 C ATOM 569 CD ARG A 41 -0.628 -14.005 10.296 1.00 0.00 C ATOM 570 NE ARG A 41 -0.844 -12.565 10.033 1.00 0.00 N ATOM 571 CZ ARG A 41 -0.661 -11.599 10.944 1.00 0.00 C ATOM 572 NH1 ARG A 41 -0.258 -11.914 12.183 1.00 0.00 N ATOM 573 NH2 ARG A 41 -0.882 -10.319 10.617 1.00 0.00 N ATOM 0 H ARG A 41 1.580 -16.670 8.521 1.00 0.00 H new ATOM 0 HA ARG A 41 0.053 -15.605 6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.579 -14.303 8.858 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.576 -13.333 7.797 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.417 -14.588 8.375 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.483 -15.839 9.171 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.451 -14.402 10.891 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.283 -14.144 10.878 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.151 -12.290 9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.091 -12.889 12.432 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.119 -11.179 12.876 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.190 -10.079 9.675 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.743 -9.584 11.310 1.00 0.00 H new ATOM 587 N ARG A 42 3.147 -14.480 6.323 1.00 0.00 N ATOM 588 CA ARG A 42 4.091 -13.834 5.426 1.00 0.00 C ATOM 589 C ARG A 42 4.340 -14.711 4.196 1.00 0.00 C ATOM 590 O ARG A 42 4.497 -14.201 3.088 1.00 0.00 O ATOM 591 CB ARG A 42 5.423 -13.565 6.129 1.00 0.00 C ATOM 592 CG ARG A 42 5.239 -12.595 7.298 1.00 0.00 C ATOM 593 CD ARG A 42 6.580 -12.271 7.958 1.00 0.00 C ATOM 594 NE ARG A 42 7.168 -13.499 8.539 1.00 0.00 N ATOM 595 CZ ARG A 42 8.430 -13.590 8.982 1.00 0.00 C ATOM 596 NH1 ARG A 42 9.243 -12.528 8.914 1.00 0.00 N ATOM 597 NH2 ARG A 42 8.878 -14.745 9.494 1.00 0.00 N ATOM 0 H ARG A 42 3.550 -14.814 7.198 1.00 0.00 H new ATOM 0 HA ARG A 42 3.657 -12.883 5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.843 -14.503 6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.137 -13.151 5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.773 -11.676 6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.563 -13.031 8.034 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.262 -11.844 7.223 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.440 -11.521 8.737 1.00 0.00 H new ATOM 0 HE ARG A 42 6.576 -14.327 8.606 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.902 -11.649 8.525 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.203 -12.598 9.251 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.259 -15.554 9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.838 -14.815 9.831 1.00 0.00 H new ATOM 611 N ASN A 43 4.367 -16.014 4.434 1.00 0.00 N ATOM 612 CA ASN A 43 4.594 -16.966 3.360 1.00 0.00 C ATOM 613 C ASN A 43 3.404 -16.936 2.399 1.00 0.00 C ATOM 614 O ASN A 43 3.532 -17.316 1.235 1.00 0.00 O ATOM 615 CB ASN A 43 4.727 -18.389 3.904 1.00 0.00 C ATOM 616 CG ASN A 43 5.884 -19.129 3.229 1.00 0.00 C ATOM 617 OD1 ASN A 43 5.881 -19.380 2.035 1.00 0.00 O ATOM 618 ND2 ASN A 43 6.869 -19.463 4.057 1.00 0.00 N ATOM 0 H ASN A 43 4.235 -16.433 5.355 1.00 0.00 H new ATOM 0 HA ASN A 43 5.517 -16.687 2.851 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.891 -18.356 4.981 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.797 -18.933 3.739 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.686 -19.960 3.703 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.808 -19.222 5.046 1.00 0.00 H new ATOM 625 N CYS A 44 2.274 -16.482 2.920 1.00 0.00 N ATOM 626 CA CYS A 44 1.063 -16.398 2.122 1.00 0.00 C ATOM 627 C CYS A 44 1.309 -15.414 0.977 1.00 0.00 C ATOM 628 O CYS A 44 0.733 -15.554 -0.101 1.00 0.00 O ATOM 629 CB CYS A 44 -0.146 -15.997 2.970 1.00 0.00 C ATOM 630 SG CYS A 44 -1.769 -16.265 2.168 1.00 0.00 S ATOM 0 H CYS A 44 2.171 -16.168 3.885 1.00 0.00 H new ATOM 0 HA CYS A 44 0.826 -17.379 1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.120 -16.560 3.903 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.055 -14.943 3.231 1.00 0.00 H new ATOM 635 N LYS A 45 2.164 -14.439 1.250 1.00 0.00 N ATOM 636 CA LYS A 45 2.493 -13.432 0.256 1.00 0.00 C ATOM 637 C LYS A 45 3.139 -14.108 -0.955 1.00 0.00 C ATOM 638 O LYS A 45 2.958 -13.665 -2.088 1.00 0.00 O ATOM 639 CB LYS A 45 3.354 -12.329 0.875 1.00 0.00 C ATOM 640 CG LYS A 45 3.245 -11.032 0.071 1.00 0.00 C ATOM 641 CD LYS A 45 4.621 -10.571 -0.414 1.00 0.00 C ATOM 642 CE LYS A 45 4.839 -9.086 -0.113 1.00 0.00 C ATOM 643 NZ LYS A 45 5.899 -8.531 -0.985 1.00 0.00 N ATOM 0 H LYS A 45 2.639 -14.325 2.146 1.00 0.00 H new ATOM 0 HA LYS A 45 1.588 -12.938 -0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.039 -12.151 1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.394 -12.652 0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.586 -11.184 -0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.793 -10.255 0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.398 -11.162 0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.710 -10.745 -1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.910 -8.537 -0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.116 -8.958 0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.034 -7.523 -0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.789 -9.043 -0.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.619 -8.636 -1.981 1.00 0.00 H new ATOM 657 N LYS A 46 3.878 -15.171 -0.675 1.00 0.00 N ATOM 658 CA LYS A 46 4.552 -15.913 -1.727 1.00 0.00 C ATOM 659 C LYS A 46 3.681 -17.100 -2.145 1.00 0.00 C ATOM 660 O LYS A 46 3.926 -17.720 -3.179 1.00 0.00 O ATOM 661 CB LYS A 46 5.961 -16.310 -1.285 1.00 0.00 C ATOM 662 CG LYS A 46 6.924 -15.126 -1.393 1.00 0.00 C ATOM 663 CD LYS A 46 7.056 -14.658 -2.843 1.00 0.00 C ATOM 664 CE LYS A 46 8.363 -13.890 -3.054 1.00 0.00 C ATOM 665 NZ LYS A 46 8.139 -12.435 -2.900 1.00 0.00 N ATOM 0 H LYS A 46 4.025 -15.537 0.266 1.00 0.00 H new ATOM 0 HA LYS A 46 4.685 -15.287 -2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.935 -16.670 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.321 -17.133 -1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.566 -14.304 -0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.903 -15.413 -1.009 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.024 -15.519 -3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.210 -14.021 -3.102 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.110 -14.227 -2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.759 -14.100 -4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.055 -11.945 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.592 -12.080 -3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.612 -12.256 -2.021 1.00 0.00 H new ATOM 679 N ALA A 47 2.683 -17.381 -1.320 1.00 0.00 N ATOM 680 CA ALA A 47 1.775 -18.482 -1.592 1.00 0.00 C ATOM 681 C ALA A 47 1.047 -18.224 -2.913 1.00 0.00 C ATOM 682 O ALA A 47 1.168 -19.005 -3.855 1.00 0.00 O ATOM 683 CB ALA A 47 0.809 -18.649 -0.417 1.00 0.00 C ATOM 0 H ALA A 47 2.483 -16.865 -0.463 1.00 0.00 H new ATOM 0 HA ALA A 47 2.326 -19.417 -1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.128 -19.475 -0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.374 -18.860 0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.237 -17.731 -0.283 1.00 0.00 H new ATOM 689 N ASP A 48 0.308 -17.125 -2.939 1.00 0.00 N ATOM 690 CA ASP A 48 -0.439 -16.754 -4.129 1.00 0.00 C ATOM 691 C ASP A 48 -1.050 -15.365 -3.930 1.00 0.00 C ATOM 692 O ASP A 48 -2.234 -15.160 -4.196 1.00 0.00 O ATOM 693 CB ASP A 48 -1.579 -17.739 -4.393 1.00 0.00 C ATOM 694 CG ASP A 48 -2.067 -17.790 -5.842 1.00 0.00 C ATOM 695 OD1 ASP A 48 -1.205 -17.996 -6.724 1.00 0.00 O ATOM 696 OD2 ASP A 48 -3.290 -17.622 -6.035 1.00 0.00 O ATOM 0 H ASP A 48 0.210 -16.479 -2.155 1.00 0.00 H new ATOM 0 HA ASP A 48 0.248 -16.763 -4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.252 -18.737 -4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.420 -17.478 -3.751 1.00 0.00 H new ATOM 701 N CYS A 49 -0.216 -14.448 -3.463 1.00 0.00 N ATOM 702 CA CYS A 49 -0.660 -13.085 -3.225 1.00 0.00 C ATOM 703 C CYS A 49 0.419 -12.131 -3.740 1.00 0.00 C ATOM 704 O CYS A 49 0.445 -10.959 -3.369 1.00 0.00 O ATOM 705 CB CYS A 49 -0.978 -12.843 -1.748 1.00 0.00 C ATOM 706 SG CYS A 49 -1.673 -14.288 -0.866 1.00 0.00 S ATOM 0 H CYS A 49 0.765 -14.622 -3.243 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.590 -12.904 -3.763 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.065 -12.530 -1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.684 -12.016 -1.674 1.00 0.00 H new ATOM 711 N GLU A 50 1.284 -12.670 -4.587 1.00 0.00 N ATOM 712 CA GLU A 50 2.363 -11.881 -5.157 1.00 0.00 C ATOM 713 C GLU A 50 1.797 -10.744 -6.010 1.00 0.00 C ATOM 714 O GLU A 50 2.195 -9.590 -5.856 1.00 0.00 O ATOM 715 CB GLU A 50 3.312 -12.760 -5.975 1.00 0.00 C ATOM 716 CG GLU A 50 4.591 -13.062 -5.193 1.00 0.00 C ATOM 717 CD GLU A 50 5.826 -12.561 -5.946 1.00 0.00 C ATOM 718 OE1 GLU A 50 6.228 -13.257 -6.903 1.00 0.00 O ATOM 719 OE2 GLU A 50 6.339 -11.494 -5.547 1.00 0.00 O ATOM 0 H GLU A 50 1.260 -13.643 -4.892 1.00 0.00 H new ATOM 0 HA GLU A 50 2.938 -11.444 -4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.813 -13.693 -6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.563 -12.258 -6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.542 -12.589 -4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.674 -14.136 -5.025 1.00 0.00 H new ATOM 726 N PRO A 51 0.852 -11.119 -6.913 1.00 0.00 N ATOM 727 CA PRO A 51 0.226 -10.143 -7.790 1.00 0.00 C ATOM 728 C PRO A 51 -0.791 -9.292 -7.027 1.00 0.00 C ATOM 729 O PRO A 51 -0.940 -8.102 -7.301 1.00 0.00 O ATOM 730 CB PRO A 51 -0.403 -10.963 -8.905 1.00 0.00 C ATOM 731 CG PRO A 51 -0.508 -12.382 -8.370 1.00 0.00 C ATOM 732 CD PRO A 51 0.355 -12.475 -7.122 1.00 0.00 C ATOM 0 HA PRO A 51 0.938 -9.424 -8.195 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.385 -10.572 -9.171 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.208 -10.930 -9.807 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.544 -12.626 -8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.173 -13.098 -9.120 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.224 -12.821 -6.265 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.175 -13.180 -7.259 1.00 0.00 H new ATOM 740 N GLN A 52 -1.464 -9.935 -6.084 1.00 0.00 N ATOM 741 CA GLN A 52 -2.463 -9.252 -5.280 1.00 0.00 C ATOM 742 C GLN A 52 -1.804 -8.167 -4.425 1.00 0.00 C ATOM 743 O GLN A 52 -2.244 -7.018 -4.427 1.00 0.00 O ATOM 744 CB GLN A 52 -3.235 -10.243 -4.407 1.00 0.00 C ATOM 745 CG GLN A 52 -3.951 -11.288 -5.266 1.00 0.00 C ATOM 746 CD GLN A 52 -4.797 -12.224 -4.400 1.00 0.00 C ATOM 747 OE1 GLN A 52 -5.297 -11.856 -3.350 1.00 0.00 O ATOM 748 NE2 GLN A 52 -4.928 -13.450 -4.898 1.00 0.00 N ATOM 0 H GLN A 52 -1.337 -10.922 -5.859 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.178 -8.776 -5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.549 -10.739 -3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.963 -9.707 -3.798 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.587 -10.789 -5.997 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.217 -11.868 -5.826 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.482 -13.691 -5.783 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.474 -14.149 -4.395 1.00 0.00 H new ATOM 757 N ASP A 53 -0.760 -8.570 -3.715 1.00 0.00 N ATOM 758 CA ASP A 53 -0.037 -7.646 -2.858 1.00 0.00 C ATOM 759 C ASP A 53 0.461 -6.465 -3.694 1.00 0.00 C ATOM 760 O ASP A 53 0.432 -5.322 -3.239 1.00 0.00 O ATOM 761 CB ASP A 53 1.180 -8.322 -2.223 1.00 0.00 C ATOM 762 CG ASP A 53 1.731 -7.624 -0.978 1.00 0.00 C ATOM 763 OD1 ASP A 53 2.272 -6.510 -1.145 1.00 0.00 O ATOM 764 OD2 ASP A 53 1.599 -8.221 0.112 1.00 0.00 O ATOM 0 H ASP A 53 -0.398 -9.524 -3.716 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.716 -7.313 -2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.912 -9.345 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.973 -8.383 -2.968 1.00 0.00 H new ATOM 769 N LYS A 54 0.905 -6.781 -4.901 1.00 0.00 N ATOM 770 CA LYS A 54 1.408 -5.760 -5.804 1.00 0.00 C ATOM 771 C LYS A 54 0.298 -4.748 -6.092 1.00 0.00 C ATOM 772 O LYS A 54 0.432 -3.567 -5.774 1.00 0.00 O ATOM 773 CB LYS A 54 1.997 -6.401 -7.063 1.00 0.00 C ATOM 774 CG LYS A 54 3.402 -6.944 -6.795 1.00 0.00 C ATOM 775 CD LYS A 54 4.031 -7.492 -8.077 1.00 0.00 C ATOM 776 CE LYS A 54 5.022 -8.616 -7.765 1.00 0.00 C ATOM 777 NZ LYS A 54 6.397 -8.079 -7.654 1.00 0.00 N ATOM 0 H LYS A 54 0.927 -7.730 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 54 2.228 -5.212 -5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.349 -7.210 -7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.035 -5.665 -7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.030 -6.152 -6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.354 -7.732 -6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.250 -7.865 -8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.542 -6.689 -8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.741 -9.108 -6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.983 -9.372 -8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.057 -8.855 -7.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.668 -7.630 -8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.434 -7.375 -6.890 1.00 0.00 H new ATOM 791 N VAL A 55 -0.774 -5.247 -6.690 1.00 0.00 N ATOM 792 CA VAL A 55 -1.907 -4.400 -7.024 1.00 0.00 C ATOM 793 C VAL A 55 -2.167 -3.427 -5.874 1.00 0.00 C ATOM 794 O VAL A 55 -2.608 -2.300 -6.096 1.00 0.00 O ATOM 795 CB VAL A 55 -3.123 -5.264 -7.364 1.00 0.00 C ATOM 796 CG1 VAL A 55 -4.379 -4.404 -7.523 1.00 0.00 C ATOM 797 CG2 VAL A 55 -2.868 -6.101 -8.618 1.00 0.00 C ATOM 0 H VAL A 55 -0.882 -6.227 -6.952 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.691 -3.804 -7.911 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.290 -5.950 -6.533 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.229 -5.042 -7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.577 -3.873 -6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.227 -3.683 -8.326 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.748 -6.706 -8.837 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.662 -5.441 -9.461 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.011 -6.754 -8.452 1.00 0.00 H new ATOM 807 N CYS A 56 -1.884 -3.896 -4.667 1.00 0.00 N ATOM 808 CA CYS A 56 -2.082 -3.081 -3.481 1.00 0.00 C ATOM 809 C CYS A 56 -0.915 -2.096 -3.375 1.00 0.00 C ATOM 810 O CYS A 56 -1.125 -0.888 -3.280 1.00 0.00 O ATOM 811 CB CYS A 56 -2.221 -3.939 -2.222 1.00 0.00 C ATOM 812 SG CYS A 56 -2.196 -3.004 -0.649 1.00 0.00 S ATOM 0 H CYS A 56 -1.519 -4.831 -4.485 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.017 -2.527 -3.569 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.155 -4.498 -2.281 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.413 -4.670 -2.207 1.00 0.00 H new ATOM 817 N ASP A 57 0.288 -2.650 -3.393 1.00 0.00 N ATOM 818 CA ASP A 57 1.488 -1.836 -3.300 1.00 0.00 C ATOM 819 C ASP A 57 1.327 -0.595 -4.181 1.00 0.00 C ATOM 820 O ASP A 57 1.399 0.531 -3.693 1.00 0.00 O ATOM 821 CB ASP A 57 2.716 -2.606 -3.788 1.00 0.00 C ATOM 822 CG ASP A 57 4.050 -2.132 -3.208 1.00 0.00 C ATOM 823 OD1 ASP A 57 4.108 -1.983 -1.968 1.00 0.00 O ATOM 824 OD2 ASP A 57 4.981 -1.930 -4.016 1.00 0.00 O ATOM 0 H ASP A 57 0.458 -3.653 -3.471 1.00 0.00 H new ATOM 0 HA ASP A 57 1.628 -1.560 -2.255 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.585 -3.660 -3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.763 -2.533 -4.875 1.00 0.00 H new ATOM 829 N ALA A 58 1.112 -0.845 -5.465 1.00 0.00 N ATOM 830 CA ALA A 58 0.940 0.238 -6.419 1.00 0.00 C ATOM 831 C ALA A 58 0.087 1.339 -5.786 1.00 0.00 C ATOM 832 O ALA A 58 0.538 2.474 -5.644 1.00 0.00 O ATOM 833 CB ALA A 58 0.324 -0.310 -7.707 1.00 0.00 C ATOM 0 H ALA A 58 1.053 -1.781 -5.866 1.00 0.00 H new ATOM 0 HA ALA A 58 1.903 0.677 -6.680 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.195 0.502 -8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.983 -1.067 -8.132 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.646 -0.756 -7.486 1.00 0.00 H new ATOM 839 N CYS A 59 -1.132 0.964 -5.424 1.00 0.00 N ATOM 840 CA CYS A 59 -2.052 1.906 -4.810 1.00 0.00 C ATOM 841 C CYS A 59 -1.291 2.696 -3.744 1.00 0.00 C ATOM 842 O CYS A 59 -1.239 3.924 -3.796 1.00 0.00 O ATOM 843 CB CYS A 59 -3.279 1.200 -4.229 1.00 0.00 C ATOM 844 SG CYS A 59 -4.547 2.317 -3.527 1.00 0.00 S ATOM 0 H CYS A 59 -1.503 0.022 -5.544 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.432 2.592 -5.567 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.739 0.598 -5.013 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.950 0.512 -3.450 1.00 0.00 H new ATOM 849 N ARG A 60 -0.720 1.960 -2.802 1.00 0.00 N ATOM 850 CA ARG A 60 0.036 2.577 -1.725 1.00 0.00 C ATOM 851 C ARG A 60 1.142 3.468 -2.296 1.00 0.00 C ATOM 852 O ARG A 60 1.405 4.549 -1.773 1.00 0.00 O ATOM 853 CB ARG A 60 0.662 1.519 -0.815 1.00 0.00 C ATOM 854 CG ARG A 60 -0.418 0.699 -0.105 1.00 0.00 C ATOM 855 CD ARG A 60 0.057 0.248 1.278 1.00 0.00 C ATOM 856 NE ARG A 60 -0.014 1.377 2.231 1.00 0.00 N ATOM 857 CZ ARG A 60 1.028 2.156 2.552 1.00 0.00 C ATOM 858 NH1 ARG A 60 2.228 1.933 1.998 1.00 0.00 N ATOM 859 NH2 ARG A 60 0.871 3.159 3.427 1.00 0.00 N ATOM 0 H ARG A 60 -0.766 0.942 -2.762 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.656 3.181 -1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.298 0.858 -1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.302 2.002 -0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.325 1.295 -0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.673 -0.172 -0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.561 -0.577 1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.080 -0.123 1.217 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.912 1.575 2.671 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.348 1.170 1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.021 2.526 2.243 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.042 3.330 3.849 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.664 3.752 3.671 1.00 0.00 H new ATOM 873 N MET A 61 1.760 2.980 -3.362 1.00 0.00 N ATOM 874 CA MET A 61 2.831 3.717 -4.009 1.00 0.00 C ATOM 875 C MET A 61 2.302 5.001 -4.652 1.00 0.00 C ATOM 876 O MET A 61 2.877 6.073 -4.469 1.00 0.00 O ATOM 877 CB MET A 61 3.481 2.840 -5.080 1.00 0.00 C ATOM 878 CG MET A 61 4.234 3.691 -6.104 1.00 0.00 C ATOM 879 SD MET A 61 5.788 2.917 -6.517 1.00 0.00 S ATOM 880 CE MET A 61 5.382 2.240 -8.118 1.00 0.00 C ATOM 0 H MET A 61 1.539 2.083 -3.794 1.00 0.00 H new ATOM 0 HA MET A 61 3.568 3.988 -3.253 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.169 2.137 -4.611 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.716 2.250 -5.585 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.629 3.813 -7.003 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.411 4.688 -5.701 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.249 1.718 -8.523 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.552 1.541 -8.017 1.00 0.00 H new ATOM 0 HE3 MET A 61 5.097 3.047 -8.793 1.00 0.00 H new ATOM 890 N LYS A 62 1.214 4.849 -5.392 1.00 0.00 N ATOM 891 CA LYS A 62 0.601 5.983 -6.063 1.00 0.00 C ATOM 892 C LYS A 62 0.057 6.957 -5.016 1.00 0.00 C ATOM 893 O LYS A 62 0.414 8.134 -5.013 1.00 0.00 O ATOM 894 CB LYS A 62 -0.452 5.507 -7.066 1.00 0.00 C ATOM 895 CG LYS A 62 -0.082 5.927 -8.490 1.00 0.00 C ATOM 896 CD LYS A 62 0.553 4.766 -9.257 1.00 0.00 C ATOM 897 CE LYS A 62 2.009 5.074 -9.611 1.00 0.00 C ATOM 898 NZ LYS A 62 2.327 4.586 -10.971 1.00 0.00 N ATOM 0 H LYS A 62 0.741 3.958 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 62 1.343 6.526 -6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.544 4.422 -7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.425 5.922 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.974 6.270 -9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.611 6.768 -8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.506 3.859 -8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.014 4.574 -10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.184 6.148 -9.554 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.673 4.604 -8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.319 4.803 -11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.180 3.557 -11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.706 5.054 -11.662 1.00 0.00 H new ATOM 912 N CYS A 63 -0.799 6.430 -4.152 1.00 0.00 N ATOM 913 CA CYS A 63 -1.396 7.238 -3.103 1.00 0.00 C ATOM 914 C CYS A 63 -0.305 8.129 -2.503 1.00 0.00 C ATOM 915 O CYS A 63 -0.417 9.353 -2.527 1.00 0.00 O ATOM 916 CB CYS A 63 -2.074 6.373 -2.039 1.00 0.00 C ATOM 917 SG CYS A 63 -3.047 7.302 -0.799 1.00 0.00 S ATOM 0 H CYS A 63 -1.093 5.453 -4.158 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.183 7.863 -3.526 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.732 5.660 -2.536 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.310 5.794 -1.521 1.00 0.00 H new ATOM 922 N HIS A 64 0.724 7.478 -1.980 1.00 0.00 N ATOM 923 CA HIS A 64 1.833 8.196 -1.375 1.00 0.00 C ATOM 924 C HIS A 64 2.156 9.438 -2.209 1.00 0.00 C ATOM 925 O HIS A 64 2.189 10.550 -1.684 1.00 0.00 O ATOM 926 CB HIS A 64 3.041 7.275 -1.192 1.00 0.00 C ATOM 927 CG HIS A 64 3.684 7.369 0.171 1.00 0.00 C ATOM 928 ND1 HIS A 64 4.805 8.142 0.419 1.00 0.00 N ATOM 929 CD2 HIS A 64 3.352 6.781 1.356 1.00 0.00 C ATOM 930 CE1 HIS A 64 5.125 8.017 1.699 1.00 0.00 C ATOM 931 NE2 HIS A 64 4.223 7.173 2.278 1.00 0.00 N ATOM 0 H HIS A 64 0.813 6.462 -1.963 1.00 0.00 H new ATOM 0 HA HIS A 64 1.552 8.533 -0.377 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.729 6.245 -1.365 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.786 7.514 -1.951 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.521 6.110 1.517 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.954 8.499 2.196 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.219 6.890 3.258 1.00 0.00 H new ATOM 939 N LYS A 65 2.387 9.206 -3.492 1.00 0.00 N ATOM 940 CA LYS A 65 2.706 10.292 -4.403 1.00 0.00 C ATOM 941 C LYS A 65 1.495 11.219 -4.529 1.00 0.00 C ATOM 942 O LYS A 65 1.637 12.440 -4.484 1.00 0.00 O ATOM 943 CB LYS A 65 3.200 9.741 -5.742 1.00 0.00 C ATOM 944 CG LYS A 65 2.818 10.673 -6.894 1.00 0.00 C ATOM 945 CD LYS A 65 3.434 10.198 -8.211 1.00 0.00 C ATOM 946 CE LYS A 65 2.636 9.034 -8.802 1.00 0.00 C ATOM 947 NZ LYS A 65 3.439 8.317 -9.817 1.00 0.00 N ATOM 0 H LYS A 65 2.360 8.282 -3.923 1.00 0.00 H new ATOM 0 HA LYS A 65 3.527 10.891 -4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.283 9.619 -5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.773 8.753 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.733 10.713 -6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.156 11.686 -6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.461 11.023 -8.922 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.465 9.888 -8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.344 8.346 -8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.717 9.408 -9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.812 7.954 -10.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.132 8.969 -10.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.938 7.523 -9.367 1.00 0.00 H new ATOM 961 N ALA A 66 0.333 10.603 -4.684 1.00 0.00 N ATOM 962 CA ALA A 66 -0.902 11.358 -4.817 1.00 0.00 C ATOM 963 C ALA A 66 -1.029 12.330 -3.642 1.00 0.00 C ATOM 964 O ALA A 66 -1.102 13.542 -3.840 1.00 0.00 O ATOM 965 CB ALA A 66 -2.085 10.391 -4.904 1.00 0.00 C ATOM 0 H ALA A 66 0.220 9.590 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.895 11.948 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.011 10.957 -5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.961 9.742 -5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.126 9.784 -3.999 1.00 0.00 H new ATOM 971 N CYS A 67 -1.052 11.762 -2.446 1.00 0.00 N ATOM 972 CA CYS A 67 -1.169 12.564 -1.239 1.00 0.00 C ATOM 973 C CYS A 67 -0.142 13.695 -1.313 1.00 0.00 C ATOM 974 O CYS A 67 -0.469 14.853 -1.055 1.00 0.00 O ATOM 975 CB CYS A 67 -0.994 11.716 0.022 1.00 0.00 C ATOM 976 SG CYS A 67 -1.244 12.619 1.595 1.00 0.00 S ATOM 0 H CYS A 67 -0.992 10.756 -2.286 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.171 12.988 -1.176 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.695 10.882 -0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.009 11.289 0.020 1.00 0.00 H new ATOM 981 N ARG A 68 1.079 13.321 -1.665 1.00 0.00 N ATOM 982 CA ARG A 68 2.156 14.290 -1.776 1.00 0.00 C ATOM 983 C ARG A 68 1.779 15.392 -2.768 1.00 0.00 C ATOM 984 O ARG A 68 1.975 16.575 -2.493 1.00 0.00 O ATOM 985 CB ARG A 68 3.454 13.622 -2.235 1.00 0.00 C ATOM 986 CG ARG A 68 4.527 14.666 -2.551 1.00 0.00 C ATOM 987 CD ARG A 68 4.820 14.715 -4.052 1.00 0.00 C ATOM 988 NE ARG A 68 4.248 15.947 -4.639 1.00 0.00 N ATOM 989 CZ ARG A 68 4.235 16.217 -5.952 1.00 0.00 C ATOM 990 NH1 ARG A 68 4.761 15.343 -6.821 1.00 0.00 N ATOM 991 NH2 ARG A 68 3.695 17.361 -6.395 1.00 0.00 N ATOM 0 H ARG A 68 1.347 12.360 -1.877 1.00 0.00 H new ATOM 0 HA ARG A 68 2.314 14.724 -0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.815 12.948 -1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.261 13.014 -3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.197 15.647 -2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.441 14.430 -2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.896 14.687 -4.222 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.397 13.838 -4.542 1.00 0.00 H new ATOM 0 HE ARG A 68 3.838 16.633 -4.005 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.171 14.472 -6.483 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.751 15.548 -7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.294 18.026 -5.733 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.685 17.567 -7.394 1.00 0.00 H new ATOM 1005 N ALA A 69 1.245 14.965 -3.903 1.00 0.00 N ATOM 1006 CA ALA A 69 0.839 15.900 -4.938 1.00 0.00 C ATOM 1007 C ALA A 69 -0.532 16.481 -4.585 1.00 0.00 C ATOM 1008 O ALA A 69 -1.101 17.251 -5.357 1.00 0.00 O ATOM 1009 CB ALA A 69 0.840 15.193 -6.295 1.00 0.00 C ATOM 0 H ALA A 69 1.084 13.983 -4.128 1.00 0.00 H new ATOM 0 HA ALA A 69 1.543 16.730 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.535 15.895 -7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.842 14.824 -6.512 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.143 14.355 -6.269 1.00 0.00 H new ATOM 1015 N ALA A 70 -1.023 16.089 -3.418 1.00 0.00 N ATOM 1016 CA ALA A 70 -2.316 16.561 -2.954 1.00 0.00 C ATOM 1017 C ALA A 70 -2.113 17.766 -2.033 1.00 0.00 C ATOM 1018 O ALA A 70 -2.654 18.842 -2.284 1.00 0.00 O ATOM 1019 CB ALA A 70 -3.059 15.417 -2.261 1.00 0.00 C ATOM 0 H ALA A 70 -0.548 15.450 -2.780 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.930 16.887 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.029 15.771 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.203 14.598 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.475 15.066 -1.411 1.00 0.00 H new ATOM 1025 N ASN A 71 -1.333 17.546 -0.985 1.00 0.00 N ATOM 1026 CA ASN A 71 -1.052 18.600 -0.026 1.00 0.00 C ATOM 1027 C ASN A 71 0.348 19.160 -0.284 1.00 0.00 C ATOM 1028 O ASN A 71 0.499 20.334 -0.619 1.00 0.00 O ATOM 1029 CB ASN A 71 -1.090 18.065 1.407 1.00 0.00 C ATOM 1030 CG ASN A 71 -2.105 16.928 1.542 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -1.809 15.852 2.033 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -3.316 17.226 1.078 1.00 0.00 N ATOM 0 H ASN A 71 -0.887 16.652 -0.779 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.811 19.373 -0.143 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.100 17.709 1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.349 18.871 2.093 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.064 16.533 1.122 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.497 18.147 0.679 1.00 0.00 H new ATOM 1039 N CYS A 72 1.337 18.293 -0.120 1.00 0.00 N ATOM 1040 CA CYS A 72 2.719 18.686 -0.331 1.00 0.00 C ATOM 1041 C CYS A 72 2.933 18.901 -1.831 1.00 0.00 C ATOM 1042 O CYS A 72 3.726 18.198 -2.455 1.00 0.00 O ATOM 1043 CB CYS A 72 3.694 17.656 0.243 1.00 0.00 C ATOM 1044 SG CYS A 72 3.231 16.992 1.883 1.00 0.00 S ATOM 0 H CYS A 72 1.208 17.320 0.157 1.00 0.00 H new ATOM 0 HA CYS A 72 2.921 19.616 0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.779 16.826 -0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.681 18.113 0.317 1.00 0.00 H new ATOM 1049 N ALA A 73 2.213 19.876 -2.365 1.00 0.00 N ATOM 1050 CA ALA A 73 2.314 20.193 -3.780 1.00 0.00 C ATOM 1051 C ALA A 73 3.557 21.052 -4.018 1.00 0.00 C ATOM 1052 O ALA A 73 4.282 20.846 -4.990 1.00 0.00 O ATOM 1053 CB ALA A 73 1.029 20.884 -4.242 1.00 0.00 C ATOM 0 H ALA A 73 1.557 20.457 -1.844 1.00 0.00 H new ATOM 0 HA ALA A 73 2.424 19.283 -4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.105 21.122 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.180 20.220 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.886 21.803 -3.674 1.00 0.00 H new ATOM 1059 N SER A 74 3.765 21.998 -3.114 1.00 0.00 N ATOM 1060 CA SER A 74 4.908 22.890 -3.214 1.00 0.00 C ATOM 1061 C SER A 74 6.088 22.318 -2.425 1.00 0.00 C ATOM 1062 O SER A 74 7.221 22.327 -2.904 1.00 0.00 O ATOM 1063 CB SER A 74 4.560 24.290 -2.706 1.00 0.00 C ATOM 1064 OG SER A 74 4.885 25.299 -3.658 1.00 0.00 O ATOM 0 H SER A 74 3.162 22.166 -2.309 1.00 0.00 H new ATOM 0 HA SER A 74 5.187 22.973 -4.265 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.496 24.338 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.096 24.482 -1.777 1.00 0.00 H new ATOM 0 HG SER A 74 4.646 26.178 -3.297 1.00 0.00 H new ATOM 1070 N GLU A 75 5.782 21.834 -1.231 1.00 0.00 N ATOM 1071 CA GLU A 75 6.803 21.259 -0.372 1.00 0.00 C ATOM 1072 C GLU A 75 7.646 20.249 -1.152 1.00 0.00 C ATOM 1073 O GLU A 75 8.822 20.052 -0.851 1.00 0.00 O ATOM 1074 CB GLU A 75 6.178 20.612 0.866 1.00 0.00 C ATOM 1075 CG GLU A 75 5.877 21.660 1.939 1.00 0.00 C ATOM 1076 CD GLU A 75 4.921 22.730 1.408 1.00 0.00 C ATOM 1077 OE1 GLU A 75 3.805 22.341 1.000 1.00 0.00 O ATOM 1078 OE2 GLU A 75 5.327 23.912 1.424 1.00 0.00 O ATOM 0 H GLU A 75 4.841 21.828 -0.838 1.00 0.00 H new ATOM 0 HA GLU A 75 7.457 22.062 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.258 20.098 0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.855 19.859 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.438 21.176 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.806 22.127 2.267 1.00 0.00 H new ATOM 1085 N CYS A 76 7.012 19.635 -2.140 1.00 0.00 N ATOM 1086 CA CYS A 76 7.689 18.650 -2.966 1.00 0.00 C ATOM 1087 C CYS A 76 7.754 19.186 -4.398 1.00 0.00 C ATOM 1088 O CYS A 76 6.764 19.143 -5.126 1.00 0.00 O ATOM 1089 CB CYS A 76 7.000 17.285 -2.899 1.00 0.00 C ATOM 1090 SG CYS A 76 6.364 16.828 -1.245 1.00 0.00 S ATOM 0 H CYS A 76 6.036 19.801 -2.387 1.00 0.00 H new ATOM 0 HA CYS A 76 8.700 18.492 -2.592 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.171 17.277 -3.607 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.705 16.521 -3.226 1.00 0.00 H new ATOM 1095 N PRO A 77 8.960 19.693 -4.768 1.00 0.00 N ATOM 1096 CA PRO A 77 9.168 20.237 -6.099 1.00 0.00 C ATOM 1097 C PRO A 77 9.280 19.118 -7.137 1.00 0.00 C ATOM 1098 O PRO A 77 9.146 17.942 -6.804 1.00 0.00 O ATOM 1099 CB PRO A 77 10.431 21.075 -5.989 1.00 0.00 C ATOM 1100 CG PRO A 77 11.139 20.598 -4.731 1.00 0.00 C ATOM 1101 CD PRO A 77 10.155 19.761 -3.931 1.00 0.00 C ATOM 0 HA PRO A 77 8.331 20.846 -6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.064 20.945 -6.867 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.191 22.136 -5.924 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.020 20.009 -4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.485 21.448 -4.142 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.554 18.767 -3.728 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.937 20.220 -2.966 1.00 0.00 H new ATOM 1109 N LYS A 78 9.525 19.525 -8.374 1.00 0.00 N ATOM 1110 CA LYS A 78 9.657 18.572 -9.463 1.00 0.00 C ATOM 1111 C LYS A 78 11.046 17.932 -9.409 1.00 0.00 C ATOM 1112 O LYS A 78 11.168 16.717 -9.263 1.00 0.00 O ATOM 1113 CB LYS A 78 9.340 19.241 -10.802 1.00 0.00 C ATOM 1114 CG LYS A 78 9.262 18.207 -11.926 1.00 0.00 C ATOM 1115 CD LYS A 78 9.183 18.889 -13.294 1.00 0.00 C ATOM 1116 CE LYS A 78 10.193 18.281 -14.269 1.00 0.00 C ATOM 1117 NZ LYS A 78 9.733 16.953 -14.732 1.00 0.00 N ATOM 0 H LYS A 78 9.636 20.502 -8.646 1.00 0.00 H new ATOM 0 HA LYS A 78 8.930 17.767 -9.355 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.394 19.777 -10.730 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.108 19.979 -11.035 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.137 17.558 -11.889 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.388 17.572 -11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.176 18.787 -13.698 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.375 19.956 -13.184 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.327 18.944 -15.124 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.164 18.187 -13.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.430 16.555 -15.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.628 16.318 -13.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.817 17.052 -15.214 1.00 0.00 H new ATOM 1131 N HIS A 79 12.058 18.778 -9.529 1.00 0.00 N ATOM 1132 CA HIS A 79 13.433 18.310 -9.496 1.00 0.00 C ATOM 1133 C HIS A 79 13.597 17.279 -8.378 1.00 0.00 C ATOM 1134 O HIS A 79 13.761 16.089 -8.645 1.00 0.00 O ATOM 1135 CB HIS A 79 14.404 19.486 -9.365 1.00 0.00 C ATOM 1136 CG HIS A 79 15.591 19.408 -10.296 1.00 0.00 C ATOM 1137 ND1 HIS A 79 16.679 18.588 -10.055 1.00 0.00 N ATOM 1138 CD2 HIS A 79 15.848 20.055 -11.468 1.00 0.00 C ATOM 1139 CE1 HIS A 79 17.547 18.743 -11.044 1.00 0.00 C ATOM 1140 NE2 HIS A 79 17.030 19.653 -11.919 1.00 0.00 N ATOM 0 H HIS A 79 11.953 19.785 -9.649 1.00 0.00 H new ATOM 0 HA HIS A 79 13.676 17.816 -10.437 1.00 0.00 H new ATOM 0 HB2 HIS A 79 13.864 20.413 -9.558 1.00 0.00 H new ATOM 0 HB3 HIS A 79 14.764 19.534 -8.337 1.00 0.00 H new ATOM 0 HD2 HIS A 79 15.200 20.773 -11.948 1.00 0.00 H new ATOM 0 HE1 HIS A 79 18.497 18.238 -11.140 1.00 0.00 H new ATOM 0 HE2 HIS A 79 17.478 19.972 -12.778 1.00 0.00 H new ATOM 1148 N GLU A 80 13.547 17.772 -7.149 1.00 0.00 N ATOM 1149 CA GLU A 80 13.688 16.908 -5.990 1.00 0.00 C ATOM 1150 C GLU A 80 12.443 16.034 -5.824 1.00 0.00 C ATOM 1151 O GLU A 80 11.528 16.089 -6.645 1.00 0.00 O ATOM 1152 CB GLU A 80 13.956 17.726 -4.725 1.00 0.00 C ATOM 1153 CG GLU A 80 15.303 17.352 -4.105 1.00 0.00 C ATOM 1154 CD GLU A 80 16.389 18.353 -4.506 1.00 0.00 C ATOM 1155 OE1 GLU A 80 16.277 18.891 -5.629 1.00 0.00 O ATOM 1156 OE2 GLU A 80 17.305 18.558 -3.681 1.00 0.00 O ATOM 0 H GLU A 80 13.411 18.759 -6.931 1.00 0.00 H new ATOM 0 HA GLU A 80 14.547 16.256 -6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 80 13.945 18.789 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 80 13.159 17.555 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.212 17.324 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.590 16.351 -4.427 1.00 0.00 H new ATOM 1163 N HIS A 81 12.448 15.248 -4.758 1.00 0.00 N ATOM 1164 CA HIS A 81 11.330 14.364 -4.474 1.00 0.00 C ATOM 1165 C HIS A 81 11.235 14.124 -2.966 1.00 0.00 C ATOM 1166 O HIS A 81 10.156 14.228 -2.384 1.00 0.00 O ATOM 1167 CB HIS A 81 11.448 13.065 -5.275 1.00 0.00 C ATOM 1168 CG HIS A 81 11.741 13.272 -6.741 1.00 0.00 C ATOM 1169 ND1 HIS A 81 10.758 13.582 -7.666 1.00 0.00 N ATOM 1170 CD2 HIS A 81 12.915 13.211 -7.433 1.00 0.00 C ATOM 1171 CE1 HIS A 81 11.327 13.699 -8.857 1.00 0.00 C ATOM 1172 NE2 HIS A 81 12.663 13.469 -8.711 1.00 0.00 N ATOM 0 H HIS A 81 13.209 15.205 -4.080 1.00 0.00 H new ATOM 0 HA HIS A 81 10.400 14.835 -4.791 1.00 0.00 H new ATOM 0 HB2 HIS A 81 12.238 12.453 -4.840 1.00 0.00 H new ATOM 0 HB3 HIS A 81 10.519 12.504 -5.176 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.885 12.990 -7.013 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.821 13.935 -9.781 1.00 0.00 H new ATOM 0 HE2 HIS A 81 13.355 13.491 -9.460 1.00 0.00 H new ATOM 1180 N LYS A 82 12.379 13.809 -2.376 1.00 0.00 N ATOM 1181 CA LYS A 82 12.438 13.554 -0.947 1.00 0.00 C ATOM 1182 C LYS A 82 13.210 14.684 -0.263 1.00 0.00 C ATOM 1183 O LYS A 82 14.345 14.492 0.170 1.00 0.00 O ATOM 1184 CB LYS A 82 13.014 12.163 -0.674 1.00 0.00 C ATOM 1185 CG LYS A 82 14.385 11.998 -1.335 1.00 0.00 C ATOM 1186 CD LYS A 82 14.263 11.269 -2.675 1.00 0.00 C ATOM 1187 CE LYS A 82 15.372 10.227 -2.834 1.00 0.00 C ATOM 1188 NZ LYS A 82 16.429 10.729 -3.740 1.00 0.00 N ATOM 0 H LYS A 82 13.272 13.725 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 82 11.435 13.548 -0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 82 13.103 12.007 0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.331 11.402 -1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.839 12.977 -1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.047 11.441 -0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.290 10.783 -2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.316 11.989 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.801 9.992 -1.860 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.955 9.301 -3.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.174 10.010 -3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.019 10.930 -4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.838 11.600 -3.347 1.00 0.00 H new ATOM 1202 N SER A 83 12.564 15.838 -0.188 1.00 0.00 N ATOM 1203 CA SER A 83 13.175 16.999 0.435 1.00 0.00 C ATOM 1204 C SER A 83 12.814 17.046 1.921 1.00 0.00 C ATOM 1205 O SER A 83 11.810 16.471 2.338 1.00 0.00 O ATOM 1206 CB SER A 83 12.738 18.291 -0.258 1.00 0.00 C ATOM 1207 OG SER A 83 11.322 18.372 -0.392 1.00 0.00 O ATOM 0 H SER A 83 11.623 15.994 -0.549 1.00 0.00 H new ATOM 0 HA SER A 83 14.257 16.912 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.098 19.148 0.312 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.199 18.348 -1.244 1.00 0.00 H new ATOM 0 HG SER A 83 11.091 19.126 -0.974 1.00 0.00 H new ATOM 1213 N ASP A 84 13.652 17.737 2.680 1.00 0.00 N ATOM 1214 CA ASP A 84 13.434 17.866 4.110 1.00 0.00 C ATOM 1215 C ASP A 84 12.044 18.455 4.359 1.00 0.00 C ATOM 1216 O ASP A 84 11.331 18.014 5.260 1.00 0.00 O ATOM 1217 CB ASP A 84 14.464 18.805 4.742 1.00 0.00 C ATOM 1218 CG ASP A 84 15.924 18.399 4.531 1.00 0.00 C ATOM 1219 OD1 ASP A 84 16.143 17.467 3.728 1.00 0.00 O ATOM 1220 OD2 ASP A 84 16.787 19.031 5.177 1.00 0.00 O ATOM 0 H ASP A 84 14.484 18.214 2.331 1.00 0.00 H new ATOM 0 HA ASP A 84 13.527 16.875 4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.319 19.806 4.336 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.270 18.865 5.813 1.00 0.00 H new ATOM 1225 N THR A 85 11.699 19.440 3.543 1.00 0.00 N ATOM 1226 CA THR A 85 10.406 20.093 3.663 1.00 0.00 C ATOM 1227 C THR A 85 9.284 19.128 3.276 1.00 0.00 C ATOM 1228 O THR A 85 8.229 19.112 3.909 1.00 0.00 O ATOM 1229 CB THR A 85 10.437 21.363 2.809 1.00 0.00 C ATOM 1230 OG1 THR A 85 9.421 22.186 3.376 1.00 0.00 O ATOM 1231 CG2 THR A 85 9.961 21.117 1.376 1.00 0.00 C ATOM 0 H THR A 85 12.292 19.802 2.796 1.00 0.00 H new ATOM 0 HA THR A 85 10.202 20.382 4.694 1.00 0.00 H new ATOM 0 HB THR A 85 11.450 21.764 2.790 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.373 23.032 2.884 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.003 22.050 0.814 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.605 20.377 0.901 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.935 20.748 1.392 1.00 0.00 H new ATOM 1239 N CYS A 86 9.549 18.348 2.238 1.00 0.00 N ATOM 1240 CA CYS A 86 8.574 17.382 1.760 1.00 0.00 C ATOM 1241 C CYS A 86 8.399 16.305 2.832 1.00 0.00 C ATOM 1242 O CYS A 86 7.296 16.102 3.338 1.00 0.00 O ATOM 1243 CB CYS A 86 8.984 16.785 0.412 1.00 0.00 C ATOM 1244 SG CYS A 86 7.737 15.683 -0.350 1.00 0.00 S ATOM 0 H CYS A 86 10.424 18.365 1.715 1.00 0.00 H new ATOM 0 HA CYS A 86 7.620 17.879 1.588 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.200 17.599 -0.280 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.910 16.226 0.545 1.00 0.00 H new ATOM 1249 N ARG A 87 9.502 15.643 3.146 1.00 0.00 N ATOM 1250 CA ARG A 87 9.484 14.591 4.148 1.00 0.00 C ATOM 1251 C ARG A 87 8.656 15.026 5.359 1.00 0.00 C ATOM 1252 O ARG A 87 7.734 14.323 5.769 1.00 0.00 O ATOM 1253 CB ARG A 87 10.902 14.243 4.607 1.00 0.00 C ATOM 1254 CG ARG A 87 11.668 13.504 3.508 1.00 0.00 C ATOM 1255 CD ARG A 87 12.709 12.556 4.107 1.00 0.00 C ATOM 1256 NE ARG A 87 12.039 11.529 4.936 1.00 0.00 N ATOM 1257 CZ ARG A 87 11.501 10.403 4.448 1.00 0.00 C ATOM 1258 NH1 ARG A 87 11.551 10.152 3.133 1.00 0.00 N ATOM 1259 NH2 ARG A 87 10.914 9.528 5.275 1.00 0.00 N ATOM 0 H ARG A 87 10.415 15.815 2.724 1.00 0.00 H new ATOM 0 HA ARG A 87 9.034 13.708 3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.435 15.155 4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.856 13.624 5.503 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.970 12.939 2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.160 14.225 2.855 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.279 12.078 3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.419 13.118 4.713 1.00 0.00 H new ATOM 0 HE ARG A 87 11.983 11.688 5.942 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.999 10.818 2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.141 9.295 2.761 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.877 9.719 6.276 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.504 8.671 4.903 1.00 0.00 H new ATOM 1273 N ALA A 88 9.016 16.182 5.897 1.00 0.00 N ATOM 1274 CA ALA A 88 8.317 16.719 7.053 1.00 0.00 C ATOM 1275 C ALA A 88 6.837 16.900 6.709 1.00 0.00 C ATOM 1276 O ALA A 88 5.965 16.527 7.492 1.00 0.00 O ATOM 1277 CB ALA A 88 8.980 18.027 7.487 1.00 0.00 C ATOM 0 H ALA A 88 9.782 16.762 5.554 1.00 0.00 H new ATOM 0 HA ALA A 88 8.377 16.029 7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.456 18.430 8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.021 17.838 7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.935 18.746 6.669 1.00 0.00 H new ATOM 1283 N CYS A 89 6.600 17.474 5.539 1.00 0.00 N ATOM 1284 CA CYS A 89 5.241 17.709 5.082 1.00 0.00 C ATOM 1285 C CYS A 89 4.489 16.377 5.104 1.00 0.00 C ATOM 1286 O CYS A 89 3.369 16.300 5.607 1.00 0.00 O ATOM 1287 CB CYS A 89 5.214 18.358 3.697 1.00 0.00 C ATOM 1288 SG CYS A 89 3.540 18.708 3.046 1.00 0.00 S ATOM 0 H CYS A 89 7.326 17.783 4.893 1.00 0.00 H new ATOM 0 HA CYS A 89 4.747 18.414 5.750 1.00 0.00 H new ATOM 0 HB2 CYS A 89 5.775 19.292 3.738 1.00 0.00 H new ATOM 0 HB3 CYS A 89 5.732 17.705 2.995 1.00 0.00 H new ATOM 1293 N MET A 90 5.135 15.361 4.551 1.00 0.00 N ATOM 1294 CA MET A 90 4.542 14.035 4.500 1.00 0.00 C ATOM 1295 C MET A 90 4.423 13.434 5.902 1.00 0.00 C ATOM 1296 O MET A 90 3.455 12.737 6.202 1.00 0.00 O ATOM 1297 CB MET A 90 5.403 13.123 3.624 1.00 0.00 C ATOM 1298 CG MET A 90 5.323 13.540 2.154 1.00 0.00 C ATOM 1299 SD MET A 90 5.558 12.117 1.102 1.00 0.00 S ATOM 1300 CE MET A 90 3.936 11.381 1.209 1.00 0.00 C ATOM 0 H MET A 90 6.063 15.429 4.134 1.00 0.00 H new ATOM 0 HA MET A 90 3.542 14.121 4.076 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.439 13.161 3.961 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.071 12.090 3.731 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.355 13.998 1.949 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.083 14.291 1.939 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.792 10.695 0.375 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.845 10.835 2.148 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.178 12.163 1.170 1.00 0.00 H new ATOM 1310 N LYS A 91 5.421 13.725 6.723 1.00 0.00 N ATOM 1311 CA LYS A 91 5.441 13.221 8.086 1.00 0.00 C ATOM 1312 C LYS A 91 4.456 14.026 8.936 1.00 0.00 C ATOM 1313 O LYS A 91 4.077 13.597 10.025 1.00 0.00 O ATOM 1314 CB LYS A 91 6.869 13.219 8.635 1.00 0.00 C ATOM 1315 CG LYS A 91 6.869 13.318 10.162 1.00 0.00 C ATOM 1316 CD LYS A 91 8.240 12.954 10.735 1.00 0.00 C ATOM 1317 CE LYS A 91 8.372 13.428 12.184 1.00 0.00 C ATOM 1318 NZ LYS A 91 9.603 12.882 12.798 1.00 0.00 N ATOM 0 H LYS A 91 6.222 14.304 6.471 1.00 0.00 H new ATOM 0 HA LYS A 91 5.112 12.182 8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.380 12.307 8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.426 14.055 8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.602 14.331 10.464 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.111 12.652 10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.383 11.874 10.687 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.024 13.407 10.128 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.395 14.517 12.216 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.501 13.111 12.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.677 13.213 13.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.566 11.843 12.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.432 13.206 12.260 1.00 0.00 H new ATOM 1332 N THR A 92 4.070 15.177 8.407 1.00 0.00 N ATOM 1333 CA THR A 92 3.137 16.046 9.104 1.00 0.00 C ATOM 1334 C THR A 92 1.699 15.570 8.884 1.00 0.00 C ATOM 1335 O THR A 92 0.987 15.272 9.841 1.00 0.00 O ATOM 1336 CB THR A 92 3.381 17.480 8.631 1.00 0.00 C ATOM 1337 OG1 THR A 92 4.688 17.786 9.110 1.00 0.00 O ATOM 1338 CG2 THR A 92 2.478 18.492 9.339 1.00 0.00 C ATOM 0 H THR A 92 4.386 15.529 7.503 1.00 0.00 H new ATOM 0 HA THR A 92 3.296 16.013 10.182 1.00 0.00 H new ATOM 0 HB THR A 92 3.219 17.540 7.555 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.353 17.518 8.441 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.692 19.494 8.966 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.434 18.247 9.143 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.664 18.457 10.412 1.00 0.00 H new ATOM 1346 N ASN A 93 1.316 15.513 7.617 1.00 0.00 N ATOM 1347 CA ASN A 93 -0.023 15.079 7.258 1.00 0.00 C ATOM 1348 C ASN A 93 -0.012 14.533 5.829 1.00 0.00 C ATOM 1349 O ASN A 93 -0.397 15.231 4.892 1.00 0.00 O ATOM 1350 CB ASN A 93 -1.013 16.244 7.312 1.00 0.00 C ATOM 1351 CG ASN A 93 -0.297 17.558 7.631 1.00 0.00 C ATOM 1352 OD1 ASN A 93 -0.441 18.130 8.699 1.00 0.00 O ATOM 1353 ND2 ASN A 93 0.481 18.002 6.648 1.00 0.00 N ATOM 0 H ASN A 93 1.910 15.760 6.826 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.330 14.312 7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.531 16.330 6.357 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.772 16.046 8.069 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.002 18.871 6.763 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.556 17.473 5.779 1.00 0.00 H new ATOM 1360 N CYS A 94 0.432 13.291 5.707 1.00 0.00 N ATOM 1361 CA CYS A 94 0.498 12.644 4.408 1.00 0.00 C ATOM 1362 C CYS A 94 1.203 11.297 4.577 1.00 0.00 C ATOM 1363 O CYS A 94 2.366 11.150 4.204 1.00 0.00 O ATOM 1364 CB CYS A 94 1.196 13.527 3.371 1.00 0.00 C ATOM 1365 SG CYS A 94 0.194 13.907 1.888 1.00 0.00 S ATOM 0 H CYS A 94 0.750 12.715 6.487 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.511 12.480 4.029 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.484 14.464 3.847 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.115 13.034 3.055 1.00 0.00 H new ATOM 1370 N LYS A 95 0.470 10.348 5.140 1.00 0.00 N ATOM 1371 CA LYS A 95 1.010 9.018 5.363 1.00 0.00 C ATOM 1372 C LYS A 95 1.343 8.374 4.015 1.00 0.00 C ATOM 1373 O LYS A 95 1.103 8.967 2.965 1.00 0.00 O ATOM 1374 CB LYS A 95 0.053 8.188 6.221 1.00 0.00 C ATOM 1375 CG LYS A 95 0.710 7.788 7.544 1.00 0.00 C ATOM 1376 CD LYS A 95 0.145 6.462 8.058 1.00 0.00 C ATOM 1377 CE LYS A 95 -0.233 6.563 9.537 1.00 0.00 C ATOM 1378 NZ LYS A 95 0.951 6.321 10.392 1.00 0.00 N ATOM 0 H LYS A 95 -0.494 10.474 5.449 1.00 0.00 H new ATOM 0 HA LYS A 95 1.940 9.075 5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.853 8.761 6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.248 7.294 5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.788 7.699 7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.546 8.569 8.286 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.732 6.185 7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.882 5.671 7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.645 7.550 9.747 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.012 5.837 9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.677 6.393 11.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.327 5.370 10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.682 7.030 10.181 1.00 0.00 H new TER 1392 LYS A 95