USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 533 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: 1 68 ASN : amide:sc= -2.84! K(o=-15!,f=-11) USER MOD Set 1.2: 1 83 HIS : no HD1:sc= -12.4! C(o=-15!,f=-11!) USER MOD Set 2.1: 1 73 THR OG1 : rot 180:sc= -0.84 USER MOD Set 2.2: 1 75 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.118) USER MOD Single : 1 7 ASN : amide:sc= -1.82 K(o=-1.8,f=-3.1) USER MOD Single : 1 8 LYS NZ :NH3+ 148:sc= -0.625 (180deg=-1.32) USER MOD Single : 1 12 GLN : amide:sc= -3.12 K(o=-3.1,f=-4.4!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : 1 25 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.6!) USER MOD Single : 1 30 ASN : amide:sc= -5.26! K(o=-5.3!,f=-0.67) USER MOD Single : 1 33 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot -146:sc= 1.22 USER MOD Single : 1 40 SER OG : rot -162:sc= -0.332 USER MOD Single : 1 41 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.32) USER MOD Single : 1 43 ASN : amide:sc= -2.85 K(o=-2.8,f=-3.8!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : 1 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 72:sc= 0.979 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot -39:sc= 0.831 USER MOD Single : 1 82 ASN : amide:sc= -3.73 K(o=-3.7,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 14.789 0.201 -7.279 1.00 0.00 N ATOM 29 CA PRO 1 3 14.285 1.276 -6.431 1.00 0.00 C ATOM 30 C PRO 1 3 14.736 2.645 -6.921 1.00 0.00 C ATOM 31 O PRO 1 3 15.767 3.159 -6.490 1.00 0.00 O ATOM 32 CB PRO 1 3 14.898 0.969 -5.051 1.00 0.00 C ATOM 33 CG PRO 1 3 15.723 -0.270 -5.226 1.00 0.00 C ATOM 34 CD PRO 1 3 15.985 -0.402 -6.697 1.00 0.00 C ATOM 0 HA PRO 1 3 13.196 1.315 -6.423 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.512 1.800 -4.704 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.119 0.816 -4.304 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 16.658 -0.195 -4.670 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 15.195 -1.145 -4.846 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 16.892 0.122 -6.997 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.104 -1.443 -6.998 1.00 0.00 H new ATOM 42 N VAL 1 4 13.958 3.235 -7.824 1.00 0.00 N ATOM 43 CA VAL 1 4 14.287 4.547 -8.364 1.00 0.00 C ATOM 44 C VAL 1 4 13.183 5.551 -8.067 1.00 0.00 C ATOM 45 O VAL 1 4 12.086 5.465 -8.619 1.00 0.00 O ATOM 46 CB VAL 1 4 14.540 4.498 -9.889 1.00 0.00 C ATOM 47 CG1 VAL 1 4 15.876 5.140 -10.230 1.00 0.00 C ATOM 48 CG2 VAL 1 4 14.484 3.067 -10.408 1.00 0.00 C ATOM 0 H VAL 1 4 13.100 2.827 -8.195 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.207 4.865 -7.874 1.00 0.00 H new ATOM 0 HB VAL 1 4 13.749 5.065 -10.380 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.036 5.096 -11.307 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 15.873 6.181 -9.906 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.678 4.604 -9.722 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 14.665 3.062 -11.483 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 15.246 2.469 -9.909 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 13.500 2.644 -10.204 1.00 0.00 H new ATOM 58 N CYS 1 5 13.485 6.512 -7.202 1.00 0.00 N ATOM 59 CA CYS 1 5 12.521 7.541 -6.847 1.00 0.00 C ATOM 60 C CYS 1 5 12.506 8.603 -7.936 1.00 0.00 C ATOM 61 O CYS 1 5 13.462 9.364 -8.089 1.00 0.00 O ATOM 62 CB CYS 1 5 12.880 8.171 -5.498 1.00 0.00 C ATOM 63 SG CYS 1 5 11.610 7.958 -4.210 1.00 0.00 S ATOM 0 H CYS 1 5 14.388 6.598 -6.736 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.531 7.093 -6.759 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 13.815 7.737 -5.145 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 13.058 9.236 -5.644 1.00 0.00 H new ATOM 68 N GLY 1 6 11.434 8.624 -8.712 1.00 0.00 N ATOM 69 CA GLY 1 6 11.334 9.566 -9.806 1.00 0.00 C ATOM 70 C GLY 1 6 11.426 8.854 -11.139 1.00 0.00 C ATOM 71 O GLY 1 6 11.879 9.420 -12.133 1.00 0.00 O ATOM 0 H GLY 1 6 10.631 8.005 -8.604 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.389 10.106 -9.742 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 12.130 10.306 -9.728 1.00 0.00 H new ATOM 75 N ASN 1 7 10.994 7.597 -11.142 1.00 0.00 N ATOM 76 CA ASN 1 7 11.017 6.765 -12.334 1.00 0.00 C ATOM 77 C ASN 1 7 9.652 6.128 -12.556 1.00 0.00 C ATOM 78 O ASN 1 7 9.482 5.284 -13.436 1.00 0.00 O ATOM 79 CB ASN 1 7 12.073 5.670 -12.180 1.00 0.00 C ATOM 80 CG ASN 1 7 13.459 6.143 -12.576 1.00 0.00 C ATOM 81 OD1 ASN 1 7 14.116 6.870 -11.832 1.00 0.00 O ATOM 82 ND2 ASN 1 7 13.909 5.731 -13.755 1.00 0.00 N ATOM 0 H ASN 1 7 10.619 7.129 -10.317 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.263 7.389 -13.193 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.090 5.329 -11.145 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.796 4.813 -12.793 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 14.834 6.017 -14.076 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.330 5.128 -14.340 1.00 0.00 H new ATOM 89 N LYS 1 8 8.685 6.528 -11.736 1.00 0.00 N ATOM 90 CA LYS 1 8 7.338 5.993 -11.818 1.00 0.00 C ATOM 91 C LYS 1 8 7.310 4.544 -11.342 1.00 0.00 C ATOM 92 O LYS 1 8 6.376 3.800 -11.641 1.00 0.00 O ATOM 93 CB LYS 1 8 6.800 6.090 -13.248 1.00 0.00 C ATOM 94 CG LYS 1 8 5.315 6.408 -13.319 1.00 0.00 C ATOM 95 CD LYS 1 8 4.859 6.618 -14.754 1.00 0.00 C ATOM 96 CE LYS 1 8 5.288 7.977 -15.281 1.00 0.00 C ATOM 97 NZ LYS 1 8 4.224 9.004 -15.104 1.00 0.00 N ATOM 0 H LYS 1 8 8.815 7.226 -11.004 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.697 6.588 -11.168 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.354 6.860 -13.784 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.986 5.147 -13.762 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 4.746 5.594 -12.870 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 5.105 7.304 -12.734 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 5.274 5.834 -15.387 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 3.774 6.531 -14.808 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 6.192 8.298 -14.763 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 5.539 7.893 -16.338 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 4.662 9.934 -14.947 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 3.631 9.041 -15.958 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 3.635 8.756 -14.284 1.00 0.00 H new ATOM 111 N ILE 1 9 8.339 4.150 -10.592 1.00 0.00 N ATOM 112 CA ILE 1 9 8.429 2.798 -10.070 1.00 0.00 C ATOM 113 C ILE 1 9 8.381 2.814 -8.553 1.00 0.00 C ATOM 114 O ILE 1 9 9.332 3.242 -7.900 1.00 0.00 O ATOM 115 CB ILE 1 9 9.728 2.081 -10.512 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.553 2.968 -11.447 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.402 0.755 -11.180 1.00 0.00 C ATOM 118 CD1 ILE 1 9 11.855 2.335 -11.886 1.00 0.00 C ATOM 0 H ILE 1 9 9.120 4.753 -10.335 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.577 2.251 -10.475 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.326 1.883 -9.623 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 9.958 3.205 -12.329 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 10.768 3.911 -10.944 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.326 0.264 -11.485 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 8.866 0.116 -10.478 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 8.780 0.933 -12.057 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.388 3.019 -12.547 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.470 2.123 -11.011 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.647 1.406 -12.417 1.00 0.00 H new ATOM 130 N LEU 1 10 7.279 2.335 -7.997 1.00 0.00 N ATOM 131 CA LEU 1 10 7.126 2.279 -6.548 1.00 0.00 C ATOM 132 C LEU 1 10 8.089 1.242 -5.988 1.00 0.00 C ATOM 133 O LEU 1 10 7.678 0.198 -5.482 1.00 0.00 O ATOM 134 CB LEU 1 10 5.680 1.937 -6.149 1.00 0.00 C ATOM 135 CG LEU 1 10 4.641 2.034 -7.268 1.00 0.00 C ATOM 136 CD1 LEU 1 10 4.652 0.769 -8.113 1.00 0.00 C ATOM 137 CD2 LEU 1 10 3.256 2.282 -6.690 1.00 0.00 C ATOM 0 H LEU 1 10 6.480 1.981 -8.522 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.355 3.260 -6.132 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 5.663 0.923 -5.750 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 5.379 2.603 -5.340 1.00 0.00 H new ATOM 0 HG LEU 1 10 4.899 2.877 -7.908 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 3.907 0.854 -8.905 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 5.639 0.636 -8.556 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 4.417 -0.090 -7.485 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 2.530 2.348 -7.500 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 2.986 1.460 -6.027 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 3.258 3.216 -6.128 1.00 0.00 H new ATOM 149 N GLU 1 11 9.381 1.531 -6.103 1.00 0.00 N ATOM 150 CA GLU 1 11 10.409 0.618 -5.633 1.00 0.00 C ATOM 151 C GLU 1 11 11.352 1.316 -4.665 1.00 0.00 C ATOM 152 O GLU 1 11 11.694 0.767 -3.618 1.00 0.00 O ATOM 153 CB GLU 1 11 11.186 0.056 -6.822 1.00 0.00 C ATOM 154 CG GLU 1 11 10.339 -0.799 -7.748 1.00 0.00 C ATOM 155 CD GLU 1 11 10.371 -2.269 -7.377 1.00 0.00 C ATOM 156 OE1 GLU 1 11 11.413 -2.730 -6.867 1.00 0.00 O ATOM 157 OE2 GLU 1 11 9.353 -2.958 -7.597 1.00 0.00 O ATOM 0 H GLU 1 11 9.738 2.391 -6.518 1.00 0.00 H new ATOM 0 HA GLU 1 11 9.928 -0.203 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.612 0.882 -7.391 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 12.021 -0.540 -6.452 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 9.309 -0.444 -7.723 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 10.693 -0.679 -8.772 1.00 0.00 H new ATOM 164 N GLN 1 12 11.770 2.530 -5.016 1.00 0.00 N ATOM 165 CA GLN 1 12 12.674 3.297 -4.161 1.00 0.00 C ATOM 166 C GLN 1 12 11.985 3.732 -2.863 1.00 0.00 C ATOM 167 O GLN 1 12 11.847 4.926 -2.595 1.00 0.00 O ATOM 168 CB GLN 1 12 13.195 4.524 -4.910 1.00 0.00 C ATOM 169 CG GLN 1 12 14.544 5.016 -4.410 1.00 0.00 C ATOM 170 CD GLN 1 12 14.535 5.337 -2.929 1.00 0.00 C ATOM 171 OE1 GLN 1 12 14.529 4.439 -2.087 1.00 0.00 O ATOM 172 NE2 GLN 1 12 14.534 6.624 -2.602 1.00 0.00 N ATOM 0 H GLN 1 12 11.500 3.001 -5.879 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.511 2.650 -3.899 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.275 4.285 -5.970 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 12.467 5.330 -4.819 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 15.300 4.256 -4.609 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 14.832 5.906 -4.969 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 14.539 7.336 -3.333 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 14.528 6.901 -1.620 1.00 0.00 H new ATOM 181 N GLY 1 13 11.567 2.751 -2.057 1.00 0.00 N ATOM 182 CA GLY 1 13 10.906 3.029 -0.785 1.00 0.00 C ATOM 183 C GLY 1 13 10.022 4.264 -0.814 1.00 0.00 C ATOM 184 O GLY 1 13 9.995 5.037 0.144 1.00 0.00 O ATOM 0 H GLY 1 13 11.676 1.759 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.302 2.167 -0.504 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 11.664 3.153 -0.011 1.00 0.00 H new ATOM 188 N GLU 1 14 9.303 4.453 -1.913 1.00 0.00 N ATOM 189 CA GLU 1 14 8.422 5.607 -2.058 1.00 0.00 C ATOM 190 C GLU 1 14 6.975 5.259 -1.717 1.00 0.00 C ATOM 191 O GLU 1 14 6.292 6.010 -1.020 1.00 0.00 O ATOM 192 CB GLU 1 14 8.506 6.177 -3.480 1.00 0.00 C ATOM 193 CG GLU 1 14 8.157 5.183 -4.579 1.00 0.00 C ATOM 194 CD GLU 1 14 9.306 4.256 -4.918 1.00 0.00 C ATOM 195 OE1 GLU 1 14 9.481 3.249 -4.203 1.00 0.00 O ATOM 196 OE2 GLU 1 14 10.030 4.538 -5.896 1.00 0.00 O ATOM 0 H GLU 1 14 9.312 3.824 -2.716 1.00 0.00 H new ATOM 0 HA GLU 1 14 8.760 6.365 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 7.835 7.033 -3.555 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 9.517 6.548 -3.650 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 7.298 4.590 -4.267 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 7.859 5.728 -5.475 1.00 0.00 H new ATOM 203 N ASP 1 15 6.508 4.125 -2.225 1.00 0.00 N ATOM 204 CA ASP 1 15 5.135 3.683 -1.991 1.00 0.00 C ATOM 205 C ASP 1 15 4.141 4.565 -2.750 1.00 0.00 C ATOM 206 O ASP 1 15 2.932 4.478 -2.534 1.00 0.00 O ATOM 207 CB ASP 1 15 4.811 3.698 -0.494 1.00 0.00 C ATOM 208 CG ASP 1 15 5.908 3.070 0.343 1.00 0.00 C ATOM 209 OD1 ASP 1 15 6.058 1.831 0.291 1.00 0.00 O ATOM 210 OD2 ASP 1 15 6.617 3.817 1.049 1.00 0.00 O ATOM 0 H ASP 1 15 7.060 3.492 -2.803 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.045 2.661 -2.360 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 4.655 4.727 -0.170 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 3.876 3.164 -0.322 1.00 0.00 H new ATOM 215 N CYS 1 16 4.662 5.408 -3.645 1.00 0.00 N ATOM 216 CA CYS 1 16 3.836 6.308 -4.451 1.00 0.00 C ATOM 217 C CYS 1 16 4.693 7.404 -5.074 1.00 0.00 C ATOM 218 O CYS 1 16 4.828 8.492 -4.515 1.00 0.00 O ATOM 219 CB CYS 1 16 2.720 6.938 -3.612 1.00 0.00 C ATOM 220 SG CYS 1 16 1.059 6.254 -3.930 1.00 0.00 S ATOM 0 H CYS 1 16 5.662 5.485 -3.830 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.379 5.716 -5.244 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 2.958 6.806 -2.556 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 2.700 8.011 -3.803 1.00 0.00 H new ATOM 225 N ASP 1 17 5.268 7.111 -6.234 1.00 0.00 N ATOM 226 CA ASP 1 17 6.110 8.077 -6.928 1.00 0.00 C ATOM 227 C ASP 1 17 5.744 8.167 -8.404 1.00 0.00 C ATOM 228 O ASP 1 17 5.123 7.263 -8.964 1.00 0.00 O ATOM 229 CB ASP 1 17 7.587 7.701 -6.783 1.00 0.00 C ATOM 230 CG ASP 1 17 8.505 8.629 -7.557 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.841 9.709 -7.029 1.00 0.00 O ATOM 232 OD2 ASP 1 17 8.883 8.275 -8.693 1.00 0.00 O ATOM 0 H ASP 1 17 5.167 6.216 -6.712 1.00 0.00 H new ATOM 0 HA ASP 1 17 5.942 9.052 -6.471 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 7.861 7.722 -5.728 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.733 6.678 -7.131 1.00 0.00 H new ATOM 237 N CYS 1 18 6.149 9.266 -9.023 1.00 0.00 N ATOM 238 CA CYS 1 18 5.889 9.499 -10.436 1.00 0.00 C ATOM 239 C CYS 1 18 7.199 9.717 -11.186 1.00 0.00 C ATOM 240 O CYS 1 18 8.133 10.319 -10.656 1.00 0.00 O ATOM 241 CB CYS 1 18 4.987 10.721 -10.618 1.00 0.00 C ATOM 242 SG CYS 1 18 3.247 10.447 -10.151 1.00 0.00 S ATOM 0 H CYS 1 18 6.664 10.017 -8.564 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.386 8.621 -10.841 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.385 11.543 -10.023 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 5.026 11.034 -11.661 1.00 0.00 H new ATOM 247 N GLY 1 19 7.267 9.233 -12.421 1.00 0.00 N ATOM 248 CA GLY 1 19 8.472 9.401 -13.214 1.00 0.00 C ATOM 249 C GLY 1 19 8.967 10.835 -13.205 1.00 0.00 C ATOM 250 O GLY 1 19 10.151 11.092 -12.986 1.00 0.00 O ATOM 0 H GLY 1 19 6.512 8.729 -12.887 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 9.253 8.746 -12.828 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 8.275 9.092 -14.241 1.00 0.00 H new ATOM 254 N SER 1 20 8.051 11.771 -13.436 1.00 0.00 N ATOM 255 CA SER 1 20 8.387 13.190 -13.445 1.00 0.00 C ATOM 256 C SER 1 20 7.304 14.008 -12.740 1.00 0.00 C ATOM 257 O SER 1 20 6.132 13.939 -13.109 1.00 0.00 O ATOM 258 CB SER 1 20 8.560 13.684 -14.883 1.00 0.00 C ATOM 259 OG SER 1 20 9.564 14.681 -14.963 1.00 0.00 O ATOM 0 H SER 1 20 7.068 11.571 -13.620 1.00 0.00 H new ATOM 0 HA SER 1 20 9.326 13.321 -12.907 1.00 0.00 H new ATOM 0 HB2 SER 1 20 8.823 12.846 -15.529 1.00 0.00 H new ATOM 0 HB3 SER 1 20 7.615 14.085 -15.249 1.00 0.00 H new ATOM 0 HG SER 1 20 9.656 14.979 -15.892 1.00 0.00 H new ATOM 265 N PRO 1 21 7.675 14.795 -11.711 1.00 0.00 N ATOM 266 CA PRO 1 21 6.719 15.620 -10.965 1.00 0.00 C ATOM 267 C PRO 1 21 5.757 16.378 -11.876 1.00 0.00 C ATOM 268 O PRO 1 21 4.629 16.684 -11.487 1.00 0.00 O ATOM 269 CB PRO 1 21 7.619 16.597 -10.212 1.00 0.00 C ATOM 270 CG PRO 1 21 8.890 15.850 -10.001 1.00 0.00 C ATOM 271 CD PRO 1 21 9.049 14.941 -11.192 1.00 0.00 C ATOM 0 HA PRO 1 21 6.077 15.017 -10.322 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.785 17.507 -10.788 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.173 16.897 -9.264 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.734 16.535 -9.919 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.854 15.275 -9.075 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.715 15.373 -11.939 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.473 13.978 -10.906 1.00 0.00 H new ATOM 279 N ALA 1 22 6.207 16.679 -13.091 1.00 0.00 N ATOM 280 CA ALA 1 22 5.384 17.399 -14.055 1.00 0.00 C ATOM 281 C ALA 1 22 4.481 16.442 -14.824 1.00 0.00 C ATOM 282 O ALA 1 22 3.392 16.814 -15.261 1.00 0.00 O ATOM 283 CB ALA 1 22 6.263 18.187 -15.015 1.00 0.00 C ATOM 0 H ALA 1 22 7.137 16.435 -13.430 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.749 18.096 -13.508 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 5.635 18.720 -15.729 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.863 18.904 -14.454 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.921 17.503 -15.550 1.00 0.00 H new ATOM 289 N ASN 1 23 4.940 15.205 -14.979 1.00 0.00 N ATOM 290 CA ASN 1 23 4.174 14.187 -15.687 1.00 0.00 C ATOM 291 C ASN 1 23 3.611 13.160 -14.709 1.00 0.00 C ATOM 292 O ASN 1 23 3.299 12.031 -15.087 1.00 0.00 O ATOM 293 CB ASN 1 23 5.050 13.491 -16.730 1.00 0.00 C ATOM 294 CG ASN 1 23 5.101 14.250 -18.041 1.00 0.00 C ATOM 295 OD1 ASN 1 23 4.772 13.710 -19.098 1.00 0.00 O ATOM 296 ND2 ASN 1 23 5.515 15.510 -17.980 1.00 0.00 N ATOM 0 H ASN 1 23 5.840 14.883 -14.623 1.00 0.00 H new ATOM 0 HA ASN 1 23 3.343 14.677 -16.194 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 6.061 13.382 -16.337 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.668 12.486 -16.910 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 5.570 16.070 -18.830 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 5.778 15.918 -17.083 1.00 0.00 H new ATOM 303 N CYS 1 24 3.490 13.561 -13.447 1.00 0.00 N ATOM 304 CA CYS 1 24 2.973 12.685 -12.409 1.00 0.00 C ATOM 305 C CYS 1 24 1.519 12.322 -12.674 1.00 0.00 C ATOM 306 O CYS 1 24 0.602 12.952 -12.147 1.00 0.00 O ATOM 307 CB CYS 1 24 3.108 13.352 -11.041 1.00 0.00 C ATOM 308 SG CYS 1 24 2.589 12.301 -9.644 1.00 0.00 S ATOM 0 H CYS 1 24 3.745 14.493 -13.121 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.560 11.766 -12.417 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 4.147 13.646 -10.893 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.514 14.266 -11.034 1.00 0.00 H new ATOM 313 N GLN 1 25 1.319 11.299 -13.494 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.023 10.840 -13.835 1.00 0.00 C ATOM 315 C GLN 1 25 -0.565 9.887 -12.770 1.00 0.00 C ATOM 316 O GLN 1 25 -1.071 8.810 -13.085 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.014 10.148 -15.200 1.00 0.00 C ATOM 318 CG GLN 1 25 0.819 8.876 -15.232 1.00 0.00 C ATOM 319 CD GLN 1 25 1.169 8.445 -16.643 1.00 0.00 C ATOM 320 OE1 GLN 1 25 1.224 9.264 -17.560 1.00 0.00 O ATOM 321 NE2 GLN 1 25 1.409 7.151 -16.823 1.00 0.00 N ATOM 0 H GLN 1 25 2.070 10.770 -13.937 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.677 11.711 -13.879 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.039 9.908 -15.483 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 0.369 10.842 -15.948 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.737 9.033 -14.665 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.271 8.075 -14.736 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 1.352 6.507 -16.034 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 1.650 6.801 -17.750 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.461 10.296 -11.509 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.944 9.487 -10.397 1.00 0.00 C ATOM 332 C ASP 1 26 -1.457 10.381 -9.274 1.00 0.00 C ATOM 333 O ASP 1 26 -0.684 10.860 -8.446 1.00 0.00 O ATOM 334 CB ASP 1 26 0.170 8.577 -9.876 1.00 0.00 C ATOM 335 CG ASP 1 26 -0.359 7.256 -9.354 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -0.707 7.187 -8.156 1.00 0.00 O ATOM 337 OD2 ASP 1 26 -0.425 6.290 -10.143 1.00 0.00 O ATOM 0 H ASP 1 26 -0.045 11.185 -11.232 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.765 8.866 -10.754 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.885 8.388 -10.677 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 0.711 9.089 -9.080 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.764 10.609 -9.259 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.381 11.453 -8.244 1.00 0.00 C ATOM 344 C ARG 1 27 -3.226 10.851 -6.849 1.00 0.00 C ATOM 345 O ARG 1 27 -3.356 11.553 -5.846 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.861 11.663 -8.566 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.698 10.399 -8.446 1.00 0.00 C ATOM 348 CD ARG 1 27 -7.173 10.683 -8.680 1.00 0.00 C ATOM 349 NE ARG 1 27 -7.983 9.470 -8.606 1.00 0.00 N ATOM 350 CZ ARG 1 27 -8.039 8.556 -9.572 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -7.335 8.713 -10.686 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -8.801 7.481 -9.423 1.00 0.00 N ATOM 0 H ARG 1 27 -3.418 10.221 -9.939 1.00 0.00 H new ATOM 0 HA ARG 1 27 -2.871 12.416 -8.251 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.266 12.421 -7.895 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -4.951 12.053 -9.580 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.350 9.661 -9.168 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.563 9.964 -7.456 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -7.526 11.400 -7.939 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -7.302 11.146 -9.658 1.00 0.00 H new ATOM 0 HE ARG 1 27 -8.538 9.314 -7.765 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -6.747 9.538 -10.806 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -7.382 8.009 -11.423 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -9.344 7.355 -8.569 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -8.844 6.780 -10.163 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.950 9.552 -6.789 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.781 8.868 -5.512 1.00 0.00 C ATOM 368 C CYS 1 28 -1.302 8.735 -5.140 1.00 0.00 C ATOM 369 O CYS 1 28 -0.972 8.355 -4.017 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.437 7.486 -5.559 1.00 0.00 C ATOM 371 SG CYS 1 28 -4.266 7.006 -4.009 1.00 0.00 S ATOM 0 H CYS 1 28 -2.839 8.953 -7.607 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.268 9.470 -4.745 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -4.166 7.468 -6.369 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.677 6.742 -5.798 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.416 9.052 -6.083 1.00 0.00 N ATOM 377 CA CYS 1 29 1.022 8.966 -5.842 1.00 0.00 C ATOM 378 C CYS 1 29 1.732 10.224 -6.336 1.00 0.00 C ATOM 379 O CYS 1 29 1.564 10.630 -7.485 1.00 0.00 O ATOM 380 CB CYS 1 29 1.606 7.737 -6.539 1.00 0.00 C ATOM 381 SG CYS 1 29 0.928 6.149 -5.956 1.00 0.00 S ATOM 0 H CYS 1 29 -0.669 9.370 -7.019 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.178 8.876 -4.767 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.427 7.823 -7.611 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.686 7.732 -6.395 1.00 0.00 H new ATOM 386 N ASN 1 30 2.522 10.840 -5.462 1.00 0.00 N ATOM 387 CA ASN 1 30 3.252 12.054 -5.815 1.00 0.00 C ATOM 388 C ASN 1 30 4.759 11.808 -5.856 1.00 0.00 C ATOM 389 O ASN 1 30 5.335 11.237 -4.924 1.00 0.00 O ATOM 390 CB ASN 1 30 2.926 13.172 -4.822 1.00 0.00 C ATOM 391 CG ASN 1 30 3.646 14.467 -5.147 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.566 14.971 -6.267 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.354 15.012 -4.166 1.00 0.00 N ATOM 0 H ASN 1 30 2.673 10.520 -4.506 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.936 12.357 -6.813 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 1.850 13.349 -4.820 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.199 12.851 -3.817 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 4.860 15.883 -4.325 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.392 14.560 -3.253 1.00 0.00 H new ATOM 400 N ALA 1 31 5.386 12.252 -6.947 1.00 0.00 N ATOM 401 CA ALA 1 31 6.826 12.099 -7.134 1.00 0.00 C ATOM 402 C ALA 1 31 7.599 13.041 -6.221 1.00 0.00 C ATOM 403 O ALA 1 31 8.598 12.659 -5.613 1.00 0.00 O ATOM 404 CB ALA 1 31 7.198 12.374 -8.583 1.00 0.00 C ATOM 0 H ALA 1 31 4.913 12.723 -7.718 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.091 11.073 -6.879 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.274 12.257 -8.711 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.677 11.670 -9.232 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.910 13.392 -8.846 1.00 0.00 H new ATOM 410 N ALA 1 32 7.127 14.280 -6.140 1.00 0.00 N ATOM 411 CA ALA 1 32 7.765 15.298 -5.313 1.00 0.00 C ATOM 412 C ALA 1 32 7.915 14.842 -3.863 1.00 0.00 C ATOM 413 O ALA 1 32 8.683 15.426 -3.099 1.00 0.00 O ATOM 414 CB ALA 1 32 6.972 16.595 -5.377 1.00 0.00 C ATOM 0 H ALA 1 32 6.300 14.605 -6.640 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.767 15.466 -5.709 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.456 17.349 -4.756 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.931 16.946 -6.408 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 5.960 16.421 -5.012 1.00 0.00 H new ATOM 420 N THR 1 33 7.179 13.801 -3.483 1.00 0.00 N ATOM 421 CA THR 1 33 7.239 13.284 -2.123 1.00 0.00 C ATOM 422 C THR 1 33 7.651 11.821 -2.114 1.00 0.00 C ATOM 423 O THR 1 33 8.103 11.302 -1.093 1.00 0.00 O ATOM 424 CB THR 1 33 5.874 13.423 -1.445 1.00 0.00 C ATOM 425 OG1 THR 1 33 5.978 13.167 -0.055 1.00 0.00 O ATOM 426 CG2 THR 1 33 4.828 12.481 -2.009 1.00 0.00 C ATOM 0 H THR 1 33 6.536 13.301 -4.097 1.00 0.00 H new ATOM 0 HA THR 1 33 7.983 13.865 -1.578 1.00 0.00 H new ATOM 0 HB THR 1 33 5.557 14.448 -1.636 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.096 13.262 0.362 1.00 0.00 H new ATOM 0 HG21 THR 1 33 3.884 12.630 -1.485 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.690 12.684 -3.071 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.157 11.450 -1.877 1.00 0.00 H new ATOM 434 N CYS 1 34 7.459 11.147 -3.242 1.00 0.00 N ATOM 435 CA CYS 1 34 7.777 9.737 -3.333 1.00 0.00 C ATOM 436 C CYS 1 34 6.920 8.981 -2.330 1.00 0.00 C ATOM 437 O CYS 1 34 7.395 8.087 -1.634 1.00 0.00 O ATOM 438 CB CYS 1 34 9.263 9.494 -3.054 1.00 0.00 C ATOM 439 SG CYS 1 34 10.315 9.486 -4.542 1.00 0.00 S ATOM 0 H CYS 1 34 7.087 11.556 -4.099 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.568 9.383 -4.342 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.623 10.265 -2.373 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.373 8.539 -2.541 1.00 0.00 H new ATOM 444 N LYS 1 35 5.652 9.376 -2.251 1.00 0.00 N ATOM 445 CA LYS 1 35 4.718 8.761 -1.317 1.00 0.00 C ATOM 446 C LYS 1 35 3.273 9.095 -1.685 1.00 0.00 C ATOM 447 O LYS 1 35 3.020 9.937 -2.546 1.00 0.00 O ATOM 448 CB LYS 1 35 5.040 9.216 0.119 1.00 0.00 C ATOM 449 CG LYS 1 35 4.196 10.380 0.631 1.00 0.00 C ATOM 450 CD LYS 1 35 3.114 9.906 1.590 1.00 0.00 C ATOM 451 CE LYS 1 35 3.672 9.666 2.983 1.00 0.00 C ATOM 452 NZ LYS 1 35 2.739 8.867 3.825 1.00 0.00 N ATOM 0 H LYS 1 35 5.250 10.119 -2.823 1.00 0.00 H new ATOM 0 HA LYS 1 35 4.829 7.678 -1.375 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 4.908 8.368 0.791 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.091 9.500 0.167 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 4.838 11.103 1.134 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 3.736 10.895 -0.212 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 2.318 10.649 1.639 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 2.668 8.986 1.212 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 4.627 9.147 2.907 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 3.867 10.624 3.466 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 3.156 8.725 4.767 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 1.836 9.374 3.919 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 2.572 7.943 3.378 1.00 0.00 H new ATOM 466 N LEU 1 36 2.331 8.427 -1.026 1.00 0.00 N ATOM 467 CA LEU 1 36 0.912 8.649 -1.282 1.00 0.00 C ATOM 468 C LEU 1 36 0.541 10.114 -1.074 1.00 0.00 C ATOM 469 O LEU 1 36 0.902 10.718 -0.064 1.00 0.00 O ATOM 470 CB LEU 1 36 0.064 7.763 -0.367 1.00 0.00 C ATOM 471 CG LEU 1 36 0.230 6.257 -0.588 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.255 5.520 0.742 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.885 5.723 -1.474 1.00 0.00 C ATOM 0 H LEU 1 36 2.525 7.727 -0.310 1.00 0.00 H new ATOM 0 HA LEU 1 36 0.712 8.387 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 0.314 7.993 0.669 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.986 8.022 -0.507 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.182 6.086 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.374 4.451 0.564 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.089 5.882 1.343 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.680 5.697 1.274 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.751 4.651 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.848 5.907 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.856 6.228 -2.440 1.00 0.00 H new ATOM 485 N THR 1 37 -0.183 10.678 -2.035 1.00 0.00 N ATOM 486 CA THR 1 37 -0.605 12.072 -1.957 1.00 0.00 C ATOM 487 C THR 1 37 -1.436 12.318 -0.699 1.00 0.00 C ATOM 488 O THR 1 37 -2.035 11.392 -0.152 1.00 0.00 O ATOM 489 CB THR 1 37 -1.414 12.451 -3.199 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.498 11.557 -3.384 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.594 12.448 -4.471 1.00 0.00 C ATOM 0 H THR 1 37 -0.490 10.191 -2.877 1.00 0.00 H new ATOM 0 HA THR 1 37 0.288 12.695 -1.909 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.766 13.466 -3.015 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.656 11.428 -4.343 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -1.228 12.725 -5.313 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.222 13.165 -4.380 1.00 0.00 H new ATOM 0 HG23 THR 1 37 -0.185 11.452 -4.638 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.484 13.574 -0.224 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.248 13.935 0.975 1.00 0.00 C ATOM 501 C PRO 1 38 -3.730 13.608 0.833 1.00 0.00 C ATOM 502 O PRO 1 38 -4.422 14.170 -0.016 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.042 15.451 1.101 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.569 15.896 -0.242 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.804 14.738 -0.812 1.00 0.00 C ATOM 0 HA PRO 1 38 -1.913 13.378 1.850 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -2.969 15.952 1.378 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -1.310 15.686 1.874 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -2.409 16.163 -0.883 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.937 16.780 -0.160 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -0.846 14.723 -1.901 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.249 14.774 -0.534 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.211 12.693 1.669 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.608 12.304 1.621 1.00 0.00 C ATOM 515 C GLY 1 39 -5.789 10.829 1.316 1.00 0.00 C ATOM 516 O GLY 1 39 -6.788 10.226 1.708 1.00 0.00 O ATOM 0 H GLY 1 39 -3.657 12.214 2.379 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.079 12.535 2.576 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.121 12.895 0.862 1.00 0.00 H new ATOM 520 N SER 1 40 -4.820 10.248 0.616 1.00 0.00 N ATOM 521 CA SER 1 40 -4.877 8.835 0.259 1.00 0.00 C ATOM 522 C SER 1 40 -3.891 8.022 1.092 1.00 0.00 C ATOM 523 O SER 1 40 -2.741 8.421 1.276 1.00 0.00 O ATOM 524 CB SER 1 40 -4.575 8.651 -1.229 1.00 0.00 C ATOM 525 OG SER 1 40 -5.672 9.062 -2.027 1.00 0.00 O ATOM 0 H SER 1 40 -3.986 10.734 0.285 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.885 8.475 0.467 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -3.690 9.228 -1.498 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -4.347 7.604 -1.430 1.00 0.00 H new ATOM 0 HG SER 1 40 -5.580 8.688 -2.928 1.00 0.00 H new ATOM 531 N GLN 1 41 -4.350 6.881 1.595 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.509 6.012 2.411 1.00 0.00 C ATOM 533 C GLN 1 41 -3.231 4.684 1.708 1.00 0.00 C ATOM 534 O GLN 1 41 -2.802 3.720 2.340 1.00 0.00 O ATOM 535 CB GLN 1 41 -4.175 5.753 3.763 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.908 6.840 4.792 1.00 0.00 C ATOM 537 CD GLN 1 41 -2.428 7.054 5.042 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -1.927 8.175 4.951 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -1.720 5.977 5.360 1.00 0.00 N ATOM 0 H GLN 1 41 -5.299 6.536 1.452 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.557 6.520 2.566 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -5.251 5.660 3.616 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -3.823 4.799 4.155 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -4.354 7.775 4.452 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.397 6.576 5.730 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -2.177 5.067 5.424 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -0.719 6.059 5.540 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.477 4.635 0.401 1.00 0.00 N ATOM 549 CA CYS 1 42 -3.248 3.419 -0.372 1.00 0.00 C ATOM 550 C CYS 1 42 -3.121 3.728 -1.859 1.00 0.00 C ATOM 551 O CYS 1 42 -3.354 4.852 -2.301 1.00 0.00 O ATOM 552 CB CYS 1 42 -4.381 2.412 -0.129 1.00 0.00 C ATOM 553 SG CYS 1 42 -5.594 2.249 -1.490 1.00 0.00 S ATOM 0 H CYS 1 42 -3.834 5.421 -0.143 1.00 0.00 H new ATOM 0 HA CYS 1 42 -2.308 2.979 -0.039 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.940 1.433 0.060 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.914 2.702 0.777 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.763 2.705 -2.617 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.611 2.813 -4.062 1.00 0.00 C ATOM 560 C ASN 1 43 -2.180 1.466 -4.633 1.00 0.00 C ATOM 561 O ASN 1 43 -2.551 1.099 -5.748 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.599 3.901 -4.421 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.374 4.010 -5.917 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -2.159 4.634 -6.631 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.297 3.400 -6.399 1.00 0.00 N ATOM 0 H ASN 1 43 -2.569 1.774 -2.249 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.570 3.093 -4.498 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.949 4.860 -4.038 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.650 3.688 -3.928 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -0.094 3.438 -7.398 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 0.327 2.894 -5.770 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.409 0.727 -3.841 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.934 -0.591 -4.228 1.00 0.00 C ATOM 574 C TYR 1 44 -0.703 -1.441 -2.978 1.00 0.00 C ATOM 575 O TYR 1 44 0.060 -1.058 -2.091 1.00 0.00 O ATOM 576 CB TYR 1 44 0.348 -0.471 -5.071 1.00 0.00 C ATOM 577 CG TYR 1 44 1.603 -0.963 -4.383 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.812 -2.318 -4.168 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.575 -0.071 -3.948 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.952 -2.773 -3.539 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.720 -0.518 -3.318 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.904 -1.870 -3.115 1.00 0.00 C ATOM 583 OH TYR 1 44 5.043 -2.320 -2.487 1.00 0.00 O ATOM 0 H TYR 1 44 -1.099 1.026 -2.917 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.688 -1.083 -4.843 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.213 -1.032 -5.996 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.488 0.574 -5.349 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.069 -3.029 -4.499 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.433 0.988 -4.105 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.098 -3.831 -3.379 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.467 0.187 -2.986 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.611 -1.556 -2.253 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.370 -2.587 -2.908 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.226 -3.459 -1.756 1.00 0.00 C ATOM 595 C GLY 1 45 -2.544 -4.072 -1.317 1.00 0.00 C ATOM 596 O GLY 1 45 -3.616 -3.590 -1.681 1.00 0.00 O ATOM 0 H GLY 1 45 -2.008 -2.928 -3.627 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.521 -4.255 -1.994 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.800 -2.893 -0.928 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.457 -5.143 -0.535 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.641 -5.843 -0.042 1.00 0.00 C ATOM 602 C GLU 1 46 -4.545 -4.924 0.777 1.00 0.00 C ATOM 603 O GLU 1 46 -5.764 -4.922 0.607 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.215 -7.027 0.827 1.00 0.00 C ATOM 605 CG GLU 1 46 -3.131 -8.344 0.075 1.00 0.00 C ATOM 606 CD GLU 1 46 -2.275 -8.251 -1.173 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -1.124 -7.777 -1.070 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -2.755 -8.653 -2.254 1.00 0.00 O ATOM 0 H GLU 1 46 -1.573 -5.548 -0.227 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.203 -6.190 -0.909 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.243 -6.809 1.269 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.922 -7.134 1.650 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.722 -9.109 0.735 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -4.135 -8.665 -0.201 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.938 -4.166 1.679 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.678 -3.260 2.549 1.00 0.00 C ATOM 617 C CYS 1 47 -5.259 -2.073 1.784 1.00 0.00 C ATOM 618 O CYS 1 47 -6.158 -1.393 2.277 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.764 -2.762 3.667 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.834 -3.764 5.182 1.00 0.00 S ATOM 0 H CYS 1 47 -2.929 -4.160 1.829 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.515 -3.816 2.971 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.737 -2.745 3.302 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.033 -1.734 3.911 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.739 -1.812 0.591 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.209 -0.692 -0.209 1.00 0.00 C ATOM 627 C CYS 1 48 -6.639 -0.897 -0.703 1.00 0.00 C ATOM 628 O CYS 1 48 -6.965 -1.920 -1.305 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.275 -0.478 -1.402 1.00 0.00 C ATOM 630 SG CYS 1 48 -4.897 0.718 -2.627 1.00 0.00 S ATOM 0 H CYS 1 48 -3.995 -2.359 0.159 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.205 0.191 0.430 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.307 -0.136 -1.035 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.109 -1.435 -1.896 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.479 0.105 -0.453 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.873 0.075 -0.876 1.00 0.00 C ATOM 637 C ASP 1 49 -9.406 1.495 -1.056 1.00 0.00 C ATOM 638 O ASP 1 49 -9.573 2.233 -0.085 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.726 -0.682 0.143 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.796 -1.531 -0.515 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.440 -2.414 -1.323 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.991 -1.311 -0.224 1.00 0.00 O ATOM 0 H ASP 1 49 -7.213 0.954 0.045 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.930 -0.444 -1.833 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.082 -1.319 0.749 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.197 0.031 0.820 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.663 1.873 -2.307 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.172 3.206 -2.620 1.00 0.00 C ATOM 649 C GLN 1 50 -9.153 4.283 -2.252 1.00 0.00 C ATOM 650 O GLN 1 50 -9.499 5.309 -1.666 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.493 3.459 -1.888 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.719 3.052 -2.688 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.181 4.139 -3.639 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -12.534 4.410 -4.651 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.305 4.768 -3.318 1.00 0.00 N ATOM 0 H GLN 1 50 -9.527 1.274 -3.121 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.348 3.255 -3.695 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.487 2.912 -0.945 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.565 4.518 -1.642 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.495 2.149 -3.256 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -13.530 2.805 -2.003 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -14.809 4.511 -2.469 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -14.665 5.509 -3.920 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.892 4.037 -2.596 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.815 4.980 -2.300 1.00 0.00 C ATOM 666 C CYS 1 51 -6.682 5.205 -0.793 1.00 0.00 C ATOM 667 O CYS 1 51 -6.092 6.192 -0.354 1.00 0.00 O ATOM 668 CB CYS 1 51 -7.049 6.313 -3.014 1.00 0.00 C ATOM 669 SG CYS 1 51 -6.141 6.482 -4.587 1.00 0.00 S ATOM 0 H CYS 1 51 -7.589 3.192 -3.081 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.884 4.547 -2.667 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -8.116 6.427 -3.208 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.757 7.126 -2.349 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.227 4.277 -0.007 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.164 4.365 1.448 1.00 0.00 C ATOM 676 C ARG 1 52 -7.028 2.974 2.059 1.00 0.00 C ATOM 677 O ARG 1 52 -7.751 2.051 1.683 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.414 5.058 1.995 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.137 5.959 3.187 1.00 0.00 C ATOM 680 CD ARG 1 52 -9.318 5.996 4.143 1.00 0.00 C ATOM 681 NE ARG 1 52 -9.021 6.764 5.350 1.00 0.00 N ATOM 682 CZ ARG 1 52 -9.820 6.811 6.414 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -10.964 6.137 6.424 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -9.475 7.533 7.471 1.00 0.00 N ATOM 0 H ARG 1 52 -7.718 3.454 -0.357 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.289 4.955 1.720 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -8.868 5.650 1.200 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -9.142 4.300 2.284 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.251 5.604 3.714 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -7.918 6.968 2.839 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -10.180 6.433 3.638 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -9.593 4.978 4.419 1.00 0.00 H new ATOM 0 HE ARG 1 52 -8.151 7.295 5.379 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -11.235 5.580 5.614 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -11.572 6.177 7.242 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -8.597 8.053 7.469 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -10.087 7.569 8.286 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.094 2.823 2.994 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.868 1.534 3.642 1.00 0.00 C ATOM 700 C PHE 1 53 -7.145 0.995 4.261 1.00 0.00 C ATOM 701 O PHE 1 53 -8.007 1.755 4.702 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.786 1.644 4.720 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.397 1.763 4.167 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.035 1.083 3.017 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.455 2.558 4.798 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.762 1.192 2.504 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.176 2.672 4.289 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.828 1.988 3.139 1.00 0.00 C ATOM 0 H PHE 1 53 -5.484 3.573 3.319 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.534 0.841 2.870 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -4.995 2.512 5.345 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.837 0.767 5.365 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.760 0.459 2.516 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.723 3.094 5.697 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.494 0.656 1.606 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.449 3.295 4.789 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.171 2.076 2.738 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.252 -0.325 4.301 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.419 -0.971 4.880 1.00 0.00 C ATOM 720 C LYS 1 54 -8.395 -0.830 6.397 1.00 0.00 C ATOM 721 O LYS 1 54 -7.483 -1.324 7.057 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.463 -2.448 4.488 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.274 -2.719 3.231 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.606 -3.762 2.349 1.00 0.00 C ATOM 725 CE LYS 1 54 -9.250 -3.822 0.974 1.00 0.00 C ATOM 726 NZ LYS 1 54 -9.337 -5.218 0.461 1.00 0.00 N ATOM 0 H LYS 1 54 -6.547 -0.968 3.940 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.314 -0.484 4.493 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.445 -2.806 4.338 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.884 -3.022 5.313 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.272 -3.060 3.507 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.398 -1.793 2.670 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.546 -3.528 2.246 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -8.672 -4.740 2.826 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -10.250 -3.390 1.022 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.674 -3.214 0.276 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.782 -5.215 -0.479 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -8.381 -5.622 0.390 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.908 -5.792 1.113 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.394 -0.147 6.945 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.477 0.063 8.388 1.00 0.00 C ATOM 742 C LYS 1 55 -9.076 -1.195 9.152 1.00 0.00 C ATOM 743 O LYS 1 55 -9.630 -2.276 8.925 1.00 0.00 O ATOM 744 CB LYS 1 55 -10.895 0.482 8.782 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.052 0.777 10.265 1.00 0.00 C ATOM 746 CD LYS 1 55 -12.049 1.898 10.506 1.00 0.00 C ATOM 747 CE LYS 1 55 -11.354 3.244 10.631 1.00 0.00 C ATOM 748 NZ LYS 1 55 -12.324 4.374 10.610 1.00 0.00 N ATOM 0 H LYS 1 55 -10.158 0.271 6.413 1.00 0.00 H new ATOM 0 HA LYS 1 55 -8.781 0.859 8.651 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.175 1.368 8.212 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.590 -0.310 8.502 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.382 -0.123 10.783 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.085 1.051 10.687 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -12.765 1.932 9.685 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -12.615 1.694 11.415 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -10.783 3.273 11.559 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -10.642 3.362 9.815 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -11.810 5.274 10.698 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -12.851 4.362 9.714 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -12.988 4.276 11.404 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.102 -1.051 10.052 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.624 -2.178 10.846 1.00 0.00 C ATOM 764 C ALA 1 56 -8.781 -3.078 11.245 1.00 0.00 C ATOM 765 O ALA 1 56 -9.794 -2.610 11.765 1.00 0.00 O ATOM 766 CB ALA 1 56 -6.889 -1.698 12.083 1.00 0.00 C ATOM 0 H ALA 1 56 -7.632 -0.167 10.247 1.00 0.00 H new ATOM 0 HA ALA 1 56 -6.928 -2.749 10.231 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.543 -2.558 12.657 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.033 -1.092 11.786 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.562 -1.099 12.696 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.637 -4.360 10.972 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.697 -5.297 11.281 1.00 0.00 C ATOM 774 C GLY 1 57 -10.254 -5.932 10.027 1.00 0.00 C ATOM 775 O GLY 1 57 -11.009 -6.903 10.094 1.00 0.00 O ATOM 0 H GLY 1 57 -7.808 -4.772 10.543 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.317 -6.073 11.946 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.495 -4.782 11.816 1.00 0.00 H new ATOM 779 N THR 1 58 -9.864 -5.391 8.873 1.00 0.00 N ATOM 780 CA THR 1 58 -10.304 -5.923 7.594 1.00 0.00 C ATOM 781 C THR 1 58 -9.492 -7.163 7.235 1.00 0.00 C ATOM 782 O THR 1 58 -8.325 -7.058 6.857 1.00 0.00 O ATOM 783 CB THR 1 58 -10.141 -4.870 6.498 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.868 -3.696 6.814 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.605 -5.350 5.143 1.00 0.00 C ATOM 0 H THR 1 58 -9.244 -4.584 8.803 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.357 -6.193 7.675 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.072 -4.665 6.448 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.422 -3.223 7.547 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.463 -4.557 4.408 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -10.026 -6.225 4.849 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.661 -5.614 5.193 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.104 -8.335 7.358 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.414 -9.582 7.047 1.00 0.00 C ATOM 795 C VAL 1 59 -9.013 -9.632 5.576 1.00 0.00 C ATOM 796 O VAL 1 59 -9.862 -9.539 4.689 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.284 -10.815 7.370 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.583 -10.775 6.579 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.520 -12.101 7.088 1.00 0.00 C ATOM 0 H VAL 1 59 -11.069 -8.448 7.668 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.521 -9.609 7.672 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.530 -10.792 8.432 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.183 -11.652 6.820 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.139 -9.873 6.837 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.359 -10.770 5.512 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.151 -12.958 7.322 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.239 -12.134 6.035 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.621 -12.133 7.704 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.717 -9.782 5.320 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.217 -9.847 3.946 1.00 0.00 C ATOM 811 C CYS 1 60 -6.566 -11.199 3.650 1.00 0.00 C ATOM 812 O CYS 1 60 -6.348 -11.547 2.490 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.207 -8.724 3.665 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.201 -7.369 4.884 1.00 0.00 S ATOM 0 H CYS 1 60 -6.997 -9.861 6.038 1.00 0.00 H new ATOM 0 HA CYS 1 60 -8.080 -9.721 3.292 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.208 -9.157 3.621 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -6.416 -8.306 2.680 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.247 -11.951 4.699 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.609 -13.255 4.533 1.00 0.00 C ATOM 821 C ARG 1 61 -5.923 -14.188 5.702 1.00 0.00 C ATOM 822 O ARG 1 61 -6.346 -13.750 6.771 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.094 -13.083 4.396 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.580 -13.299 2.981 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.475 -12.314 2.631 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.496 -12.179 3.708 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.429 -11.386 3.645 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -0.197 -10.658 2.560 1.00 0.00 N ATOM 829 NH2 ARG 1 61 0.408 -11.321 4.672 1.00 0.00 N ATOM 0 H ARG 1 61 -6.418 -11.683 5.668 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.009 -13.708 3.626 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.820 -12.080 4.724 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.596 -13.784 5.065 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -3.205 -14.318 2.881 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -4.402 -13.191 2.274 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -1.971 -12.644 1.723 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.914 -11.339 2.416 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.639 -12.725 4.558 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -0.838 -10.704 1.768 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 0.623 -10.052 2.518 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.233 -11.878 5.508 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 1.226 -10.714 4.625 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.707 -15.482 5.483 1.00 0.00 N ATOM 844 CA ILE 1 62 -5.952 -16.498 6.500 1.00 0.00 C ATOM 845 C ILE 1 62 -5.100 -17.728 6.221 1.00 0.00 C ATOM 846 O ILE 1 62 -5.184 -18.320 5.146 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.435 -16.936 6.565 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.381 -15.756 6.327 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.732 -17.579 7.911 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.410 -15.281 4.893 1.00 0.00 C ATOM 0 H ILE 1 62 -5.359 -15.854 4.599 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.689 -16.048 7.457 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.602 -17.664 5.771 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.389 -16.044 6.626 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -8.083 -14.927 6.969 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -8.778 -17.883 7.946 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.095 -18.453 8.045 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.536 -16.862 8.708 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -9.102 -14.444 4.801 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -7.411 -14.961 4.595 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.738 -16.095 4.247 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.275 -18.105 7.189 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.399 -19.264 7.040 1.00 0.00 C ATOM 864 C ALA 1 63 -4.155 -20.470 6.494 1.00 0.00 C ATOM 865 O ALA 1 63 -3.934 -20.889 5.358 1.00 0.00 O ATOM 866 CB ALA 1 63 -2.737 -19.602 8.367 1.00 0.00 C ATOM 0 H ALA 1 63 -4.193 -17.627 8.086 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.625 -19.006 6.317 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.087 -20.468 8.239 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.146 -18.751 8.706 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -3.503 -19.829 9.108 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.050 -21.021 7.305 1.00 0.00 N ATOM 873 CA ARG 1 64 -5.839 -22.180 6.893 1.00 0.00 C ATOM 874 C ARG 1 64 -6.782 -22.634 8.003 1.00 0.00 C ATOM 875 O ARG 1 64 -6.619 -23.715 8.569 1.00 0.00 O ATOM 876 CB ARG 1 64 -4.918 -23.335 6.487 1.00 0.00 C ATOM 877 CG ARG 1 64 -5.437 -24.140 5.306 1.00 0.00 C ATOM 878 CD ARG 1 64 -5.370 -23.340 4.015 1.00 0.00 C ATOM 879 NE ARG 1 64 -6.134 -23.970 2.940 1.00 0.00 N ATOM 880 CZ ARG 1 64 -6.531 -23.333 1.841 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -6.240 -22.050 1.667 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -7.221 -23.981 0.913 1.00 0.00 N ATOM 0 H ARG 1 64 -5.249 -20.687 8.248 1.00 0.00 H new ATOM 0 HA ARG 1 64 -6.442 -21.882 6.035 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -3.935 -22.935 6.240 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -4.786 -24.001 7.340 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -4.851 -25.053 5.201 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -6.467 -24.443 5.495 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -5.753 -22.335 4.191 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -4.330 -23.235 3.707 1.00 0.00 H new ATOM 0 HE ARG 1 64 -6.377 -24.956 3.038 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -5.709 -21.547 2.378 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -6.547 -21.567 0.823 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -7.447 -24.967 1.041 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -7.526 -23.493 0.070 1.00 0.00 H new ATOM 896 N GLY 1 65 -7.774 -21.805 8.306 1.00 0.00 N ATOM 897 CA GLY 1 65 -8.729 -22.146 9.343 1.00 0.00 C ATOM 898 C GLY 1 65 -9.232 -20.930 10.091 1.00 0.00 C ATOM 899 O GLY 1 65 -9.946 -20.098 9.530 1.00 0.00 O ATOM 0 H GLY 1 65 -7.934 -20.905 7.853 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.574 -22.669 8.896 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.264 -22.835 10.048 1.00 0.00 H new ATOM 903 N ASP 1 66 -8.858 -20.826 11.360 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.273 -19.702 12.188 1.00 0.00 C ATOM 905 C ASP 1 66 -8.521 -19.698 13.514 1.00 0.00 C ATOM 906 O ASP 1 66 -9.012 -20.199 14.525 1.00 0.00 O ATOM 907 CB ASP 1 66 -10.780 -19.754 12.441 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.427 -18.385 12.367 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.363 -17.756 11.290 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -11.997 -17.942 13.386 1.00 0.00 O ATOM 0 H ASP 1 66 -8.268 -21.507 11.838 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.036 -18.782 11.653 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.246 -20.413 11.708 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -10.966 -20.188 13.424 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.324 -19.128 13.495 1.00 0.00 N ATOM 916 CA TRP 1 67 -6.485 -19.051 14.686 1.00 0.00 C ATOM 917 C TRP 1 67 -6.185 -17.598 15.024 1.00 0.00 C ATOM 918 O TRP 1 67 -6.669 -17.061 16.020 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.175 -19.817 14.458 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.012 -20.313 13.055 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -4.773 -19.565 11.939 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.089 -21.671 12.619 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -4.698 -20.376 10.836 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -4.887 -21.675 11.228 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.307 -22.882 13.273 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -4.898 -22.845 10.479 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.318 -24.048 12.529 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.114 -24.022 11.143 1.00 0.00 C ATOM 0 H TRP 1 67 -6.909 -18.709 12.663 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.020 -19.504 15.521 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -4.335 -19.168 14.706 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -5.135 -20.665 15.142 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -4.659 -18.491 11.926 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.529 -20.063 9.880 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -5.464 -22.910 14.341 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -4.742 -22.826 9.411 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -5.486 -24.993 13.024 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.127 -24.948 10.588 1.00 0.00 H new ATOM 939 N ASN 1 68 -5.390 -16.972 14.172 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.018 -15.573 14.344 1.00 0.00 C ATOM 941 C ASN 1 68 -5.645 -14.724 13.244 1.00 0.00 C ATOM 942 O ASN 1 68 -6.020 -13.573 13.468 1.00 0.00 O ATOM 943 CB ASN 1 68 -3.495 -15.409 14.323 1.00 0.00 C ATOM 944 CG ASN 1 68 -2.770 -16.570 14.977 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -2.305 -16.466 16.112 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -2.671 -17.684 14.261 1.00 0.00 N ATOM 0 H ASN 1 68 -4.985 -17.414 13.346 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.390 -15.238 15.312 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.159 -15.312 13.291 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.227 -14.485 14.834 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.194 -18.498 14.648 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.072 -17.725 13.324 1.00 0.00 H new ATOM 953 N ASP 1 69 -5.762 -15.309 12.055 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.351 -14.623 10.911 1.00 0.00 C ATOM 955 C ASP 1 69 -5.540 -13.393 10.525 1.00 0.00 C ATOM 956 O ASP 1 69 -4.966 -12.721 11.380 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.786 -14.207 11.227 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.793 -15.286 10.881 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.767 -16.353 11.531 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.607 -15.066 9.960 1.00 0.00 O ATOM 0 H ASP 1 69 -5.455 -16.262 11.859 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.347 -15.317 10.071 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.866 -13.966 12.287 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.027 -13.299 10.675 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.511 -13.098 9.230 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.782 -11.940 8.731 1.00 0.00 C ATOM 967 C ASP 1 70 -5.677 -10.712 8.736 1.00 0.00 C ATOM 968 O ASP 1 70 -6.792 -10.748 8.216 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.265 -12.199 7.319 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.142 -11.264 6.938 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.213 -10.078 7.314 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.192 -11.719 6.266 1.00 0.00 O ATOM 0 H ASP 1 70 -5.983 -13.644 8.509 1.00 0.00 H new ATOM 0 HA ASP 1 70 -3.931 -11.762 9.388 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.917 -13.229 7.245 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.084 -12.087 6.609 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.199 -9.630 9.341 1.00 0.00 N ATOM 978 CA TYR 1 71 -5.992 -8.415 9.423 1.00 0.00 C ATOM 979 C TYR 1 71 -5.188 -7.157 9.157 1.00 0.00 C ATOM 980 O TYR 1 71 -4.053 -7.014 9.610 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.633 -8.318 10.795 1.00 0.00 C ATOM 982 CG TYR 1 71 -7.867 -9.157 10.912 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.043 -8.743 10.325 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -7.853 -10.362 11.591 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.188 -9.498 10.411 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -8.990 -11.133 11.686 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.161 -10.697 11.095 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.302 -11.462 11.185 1.00 0.00 O ATOM 0 H TYR 1 71 -4.278 -9.571 9.776 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.750 -8.482 8.643 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -5.913 -8.629 11.552 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -6.884 -7.278 11.003 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.065 -7.807 9.787 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -6.938 -10.703 12.053 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.102 -9.156 9.947 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -8.967 -12.072 12.219 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.111 -12.275 11.699 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.811 -6.235 8.434 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.192 -4.963 8.110 1.00 0.00 C ATOM 1000 C CYS 1 72 -4.941 -4.159 9.381 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.516 -4.449 10.430 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.089 -4.175 7.159 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.238 -2.820 6.294 1.00 0.00 S ATOM 0 H CYS 1 72 -6.753 -6.350 8.060 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.236 -5.151 7.622 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.507 -4.858 6.420 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -6.926 -3.764 7.723 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.080 -3.153 9.285 1.00 0.00 N ATOM 1009 CA THR 1 73 -3.758 -2.317 10.437 1.00 0.00 C ATOM 1010 C THR 1 73 -4.095 -0.848 10.179 1.00 0.00 C ATOM 1011 O THR 1 73 -3.993 -0.014 11.079 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.277 -2.464 10.788 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.469 -1.765 9.857 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -1.814 -3.904 10.809 1.00 0.00 C ATOM 0 H THR 1 73 -3.594 -2.896 8.426 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.366 -2.653 11.277 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.171 -2.048 11.790 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.525 -1.870 10.100 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -0.755 -3.942 11.064 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.386 -4.459 11.552 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -1.966 -4.350 9.826 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.498 -0.534 8.950 1.00 0.00 N ATOM 1023 CA GLY 1 74 -4.843 0.833 8.609 1.00 0.00 C ATOM 1024 C GLY 1 74 -3.647 1.765 8.639 1.00 0.00 C ATOM 1025 O GLY 1 74 -3.806 2.984 8.697 1.00 0.00 O ATOM 0 H GLY 1 74 -4.591 -1.203 8.186 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.289 0.853 7.615 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -5.599 1.197 9.305 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.446 1.194 8.600 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.224 1.989 8.624 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.256 1.560 7.521 1.00 0.00 C ATOM 1032 O LYS 1 75 0.878 2.036 7.465 1.00 0.00 O ATOM 1033 CB LYS 1 75 -0.540 1.869 9.988 1.00 0.00 C ATOM 1034 CG LYS 1 75 -1.495 2.008 11.163 1.00 0.00 C ATOM 1035 CD LYS 1 75 -1.529 0.746 12.010 1.00 0.00 C ATOM 1036 CE LYS 1 75 -0.381 0.713 13.006 1.00 0.00 C ATOM 1037 NZ LYS 1 75 0.758 -0.111 12.513 1.00 0.00 N ATOM 0 H LYS 1 75 -2.294 0.187 8.552 1.00 0.00 H new ATOM 0 HA LYS 1 75 -1.502 3.028 8.448 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.039 0.903 10.050 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 0.233 2.634 10.066 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -1.192 2.853 11.781 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.497 2.226 10.794 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -2.477 0.690 12.544 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.476 -0.129 11.363 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -0.037 1.729 13.198 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -0.735 0.312 13.955 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 1.445 -0.249 13.282 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 0.405 -1.036 12.194 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 1.220 0.376 11.719 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.703 0.661 6.646 1.00 0.00 N ATOM 1052 CA SER 1 76 0.138 0.183 5.554 1.00 0.00 C ATOM 1053 C SER 1 76 -0.665 -0.657 4.565 1.00 0.00 C ATOM 1054 O SER 1 76 -1.804 -1.037 4.836 1.00 0.00 O ATOM 1055 CB SER 1 76 1.304 -0.639 6.107 1.00 0.00 C ATOM 1056 OG SER 1 76 2.426 -0.578 5.244 1.00 0.00 O ATOM 0 H SER 1 76 -1.637 0.252 6.672 1.00 0.00 H new ATOM 0 HA SER 1 76 0.528 1.053 5.025 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.580 -0.267 7.094 1.00 0.00 H new ATOM 0 HB3 SER 1 76 0.994 -1.676 6.233 1.00 0.00 H new ATOM 0 HG SER 1 76 3.158 -1.110 5.621 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.056 -0.946 3.418 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.701 -1.746 2.381 1.00 0.00 C ATOM 1064 C SER 1 77 -0.445 -3.237 2.598 1.00 0.00 C ATOM 1065 O SER 1 77 -0.708 -4.053 1.715 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.193 -1.330 0.997 1.00 0.00 C ATOM 1067 OG SER 1 77 0.529 -0.113 1.061 1.00 0.00 O ATOM 0 H SER 1 77 0.887 -0.637 3.183 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.775 -1.568 2.439 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.446 -2.114 0.590 1.00 0.00 H new ATOM 0 HB3 SER 1 77 -1.036 -1.220 0.315 1.00 0.00 H new ATOM 0 HG SER 1 77 0.088 0.496 1.689 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.075 -3.588 3.772 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.369 -4.980 4.089 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.578 -5.517 5.157 1.00 0.00 C ATOM 1076 O ASP 1 78 -0.860 -4.847 6.151 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.817 -5.119 4.562 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.815 -4.864 3.449 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.902 -3.709 2.983 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.511 -5.819 3.045 1.00 0.00 O ATOM 0 H ASP 1 78 0.300 -2.928 4.517 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.227 -5.567 3.181 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.999 -4.419 5.377 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.971 -6.121 4.962 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.058 -6.737 4.943 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.967 -7.386 5.880 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.271 -8.562 6.568 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.056 -9.605 5.953 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.216 -7.878 5.144 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.722 -7.895 6.169 1.00 0.00 S ATOM 0 H CYS 1 79 -0.831 -7.299 4.123 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.262 -6.661 6.638 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.387 -7.242 4.275 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.032 -8.885 4.770 1.00 0.00 H new ATOM 1095 N PRO 1 80 -0.898 -8.410 7.853 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.216 -9.469 8.612 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.144 -10.623 8.999 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.216 -10.408 9.562 1.00 0.00 O ATOM 1099 CB PRO 1 80 0.270 -8.739 9.865 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.702 -7.627 10.049 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.098 -7.194 8.664 1.00 0.00 C ATOM 0 HA PRO 1 80 0.576 -9.936 8.027 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 0.283 -9.402 10.730 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.285 -8.362 9.736 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.571 -7.957 10.619 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.253 -6.803 10.603 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.133 -6.855 8.630 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.480 -6.369 8.309 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.713 -11.850 8.698 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.496 -13.054 9.020 1.00 0.00 C ATOM 1111 C TRP 1 81 -1.842 -13.106 10.502 1.00 0.00 C ATOM 1112 O TRP 1 81 -2.789 -13.779 10.904 1.00 0.00 O ATOM 1113 CB TRP 1 81 -0.730 -14.339 8.671 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.465 -14.149 7.789 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.728 -13.800 8.172 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.503 -14.315 6.376 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.550 -13.736 7.072 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.818 -14.050 5.957 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.453 -14.662 5.427 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.200 -14.125 4.622 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -0.077 -14.737 4.100 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 1.242 -14.470 3.707 1.00 0.00 C ATOM 0 H TRP 1 81 0.174 -12.040 8.232 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.406 -12.994 8.423 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.406 -14.813 9.598 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.416 -15.031 8.182 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 2.036 -13.603 9.188 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.541 -13.495 7.084 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.471 -14.869 5.722 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.216 -13.919 4.318 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -0.810 -15.005 3.354 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 1.507 -14.538 2.662 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.034 -12.424 11.305 1.00 0.00 N ATOM 1134 CA ASN 1 82 -1.200 -12.403 12.759 1.00 0.00 C ATOM 1135 C ASN 1 82 -0.615 -13.673 13.367 1.00 0.00 C ATOM 1136 O ASN 1 82 -1.068 -14.144 14.411 1.00 0.00 O ATOM 1137 CB ASN 1 82 -2.673 -12.262 13.158 1.00 0.00 C ATOM 1138 CG ASN 1 82 -3.287 -10.968 12.663 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -2.633 -10.175 11.987 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -4.552 -10.746 13.003 1.00 0.00 N ATOM 0 H ASN 1 82 -0.246 -11.870 10.970 1.00 0.00 H new ATOM 0 HA ASN 1 82 -0.666 -11.534 13.144 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.237 -13.104 12.757 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -2.758 -12.309 14.244 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -5.018 -9.890 12.702 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -5.057 -11.431 13.565 1.00 0.00 H new ATOM 1147 N HIS 1 83 0.394 -14.226 12.697 1.00 0.00 N ATOM 1148 CA HIS 1 83 1.048 -15.446 13.154 1.00 0.00 C ATOM 1149 C HIS 1 83 2.392 -15.135 13.805 1.00 0.00 C ATOM 1150 O HIS 1 83 2.725 -15.792 14.814 1.00 0.00 O ATOM 1151 CB HIS 1 83 1.244 -16.403 11.975 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.018 -16.670 11.219 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -0.041 -17.008 9.883 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -1.311 -16.633 11.618 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -1.294 -17.163 9.493 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -2.083 -16.943 10.527 1.00 0.00 N ATOM 1157 OXT HIS 1 83 3.100 -14.239 13.301 1.00 0.00 O ATOM 0 H HIS 1 83 0.776 -13.845 11.832 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.411 -15.919 13.901 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.986 -15.985 11.295 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 1.646 -17.347 12.344 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -1.668 -16.402 12.611 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -1.617 -17.425 8.496 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -3.102 -16.995 10.517 1.00 0.00 H new