USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 547 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= -2.54! K(o=-14!,f=-11) USER MOD Set 1.2: 1 83 HIS : no HD1:sc= -11.3! C(o=-14!,f=-11!) USER MOD Set 2.1: 1 37 THR OG1 : rot -138:sc= 0.532 USER MOD Set 2.2: 1 40 SER OG : rot 144:sc= 0.981 USER MOD Single : 1 1 SER N :NH3+ 147:sc= 0.00738 (180deg=0) USER MOD Single : 1 1 SER OG : rot 180:sc= -0.349 USER MOD Single : 1 7 ASN : amide:sc= -2.14 K(o=-2.1,f=-1.6) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -1.77 K(o=-1.8,f=-9.1!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : 1 30 ASN : amide:sc= -5.09! K(o=-5.1!,f=-0.74) USER MOD Single : 1 33 THR OG1 : rot -35:sc= 0.0105 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 41 GLN : amide:sc= -0.37 K(o=-0.37,f=-0.92) USER MOD Single : 1 43 ASN : amide:sc= -2.45 K(o=-2.5,f=-1.6) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.43) 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 74:sc= 0.736 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= -0.0197 USER MOD Single : 1 75 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0438) USER MOD Single : 1 76 SER OG : rot 12:sc= 0.269 USER MOD Single : 1 77 SER OG : rot -173:sc= -0.598 USER MOD Single : 1 82 ASN : amide:sc= -0.69 K(o=-0.69,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 11.851 -5.837 -7.431 1.00 0.00 N ATOM 2 CA SER 1 1 11.899 -4.916 -8.597 1.00 0.00 C ATOM 3 C SER 1 1 12.881 -3.771 -8.354 1.00 0.00 C ATOM 4 O SER 1 1 13.351 -3.573 -7.235 1.00 0.00 O ATOM 5 CB SER 1 1 10.491 -4.366 -8.841 1.00 0.00 C ATOM 6 OG SER 1 1 9.971 -4.828 -10.075 1.00 0.00 O ATOM 0 H1 SER 1 1 10.891 -6.224 -7.334 1.00 0.00 H new ATOM 0 H2 SER 1 1 12.525 -6.615 -7.575 1.00 0.00 H new ATOM 0 H3 SER 1 1 12.103 -5.316 -6.567 1.00 0.00 H new ATOM 0 HA SER 1 1 12.245 -5.463 -9.474 1.00 0.00 H new ATOM 0 HB2 SER 1 1 9.832 -4.671 -8.028 1.00 0.00 H new ATOM 0 HB3 SER 1 1 10.517 -3.276 -8.839 1.00 0.00 H new ATOM 0 HG SER 1 1 9.071 -4.465 -10.207 1.00 0.00 H new ATOM 14 N PRO 1 2 13.203 -3.000 -9.408 1.00 0.00 N ATOM 15 CA PRO 1 2 14.134 -1.870 -9.306 1.00 0.00 C ATOM 16 C PRO 1 2 13.557 -0.713 -8.490 1.00 0.00 C ATOM 17 O PRO 1 2 12.647 -0.020 -8.944 1.00 0.00 O ATOM 18 CB PRO 1 2 14.337 -1.443 -10.762 1.00 0.00 C ATOM 19 CG PRO 1 2 13.108 -1.901 -11.467 1.00 0.00 C ATOM 20 CD PRO 1 2 12.685 -3.168 -10.778 1.00 0.00 C ATOM 0 HA PRO 1 2 15.056 -2.149 -8.795 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 14.461 -0.363 -10.844 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 15.231 -1.900 -11.187 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 12.323 -1.147 -11.413 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 13.307 -2.079 -12.524 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 11.602 -3.288 -10.786 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 13.107 -4.049 -11.262 1.00 0.00 H new ATOM 28 N PRO 1 3 14.081 -0.485 -7.271 1.00 0.00 N ATOM 29 CA PRO 1 3 13.617 0.593 -6.397 1.00 0.00 C ATOM 30 C PRO 1 3 14.141 1.952 -6.846 1.00 0.00 C ATOM 31 O PRO 1 3 15.213 2.384 -6.423 1.00 0.00 O ATOM 32 CB PRO 1 3 14.193 0.223 -5.017 1.00 0.00 C ATOM 33 CG PRO 1 3 14.839 -1.116 -5.184 1.00 0.00 C ATOM 34 CD PRO 1 3 15.163 -1.245 -6.642 1.00 0.00 C ATOM 0 HA PRO 1 3 12.531 0.682 -6.401 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 14.917 0.967 -4.685 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 13.406 0.185 -4.263 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 15.741 -1.192 -4.577 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 14.170 -1.914 -4.862 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 16.143 -0.830 -6.879 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 15.171 -2.286 -6.966 1.00 0.00 H new ATOM 42 N VAL 1 4 13.382 2.623 -7.709 1.00 0.00 N ATOM 43 CA VAL 1 4 13.777 3.932 -8.217 1.00 0.00 C ATOM 44 C VAL 1 4 12.747 5.008 -7.882 1.00 0.00 C ATOM 45 O VAL 1 4 11.649 5.021 -8.438 1.00 0.00 O ATOM 46 CB VAL 1 4 13.988 3.896 -9.744 1.00 0.00 C ATOM 47 CG1 VAL 1 4 15.436 3.570 -10.073 1.00 0.00 C ATOM 48 CG2 VAL 1 4 13.047 2.892 -10.396 1.00 0.00 C ATOM 0 H VAL 1 4 12.491 2.281 -8.070 1.00 0.00 H new ATOM 0 HA VAL 1 4 14.717 4.183 -7.726 1.00 0.00 H new ATOM 0 HB VAL 1 4 13.759 4.883 -10.145 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 15.567 3.549 -11.155 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.087 4.331 -9.643 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 15.693 2.596 -9.657 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 13.214 2.884 -11.473 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 13.238 1.898 -9.991 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 12.014 3.175 -10.191 1.00 0.00 H new ATOM 58 N CYS 1 5 13.116 5.927 -6.991 1.00 0.00 N ATOM 59 CA CYS 1 5 12.225 7.021 -6.617 1.00 0.00 C ATOM 60 C CYS 1 5 12.310 8.110 -7.677 1.00 0.00 C ATOM 61 O CYS 1 5 13.307 8.826 -7.775 1.00 0.00 O ATOM 62 CB CYS 1 5 12.597 7.575 -5.234 1.00 0.00 C ATOM 63 SG CYS 1 5 12.043 9.287 -4.899 1.00 0.00 S ATOM 0 H CYS 1 5 14.020 5.935 -6.518 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.201 6.653 -6.558 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.174 6.919 -4.473 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 13.681 7.534 -5.124 1.00 0.00 H new ATOM 68 N GLY 1 6 11.275 8.197 -8.492 1.00 0.00 N ATOM 69 CA GLY 1 6 11.249 9.160 -9.572 1.00 0.00 C ATOM 70 C GLY 1 6 11.346 8.458 -10.908 1.00 0.00 C ATOM 71 O GLY 1 6 11.847 9.009 -11.888 1.00 0.00 O ATOM 0 H GLY 1 6 10.442 7.612 -8.425 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.329 9.742 -9.526 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 12.076 9.862 -9.462 1.00 0.00 H new ATOM 75 N ASN 1 7 10.855 7.225 -10.926 1.00 0.00 N ATOM 76 CA ASN 1 7 10.856 6.391 -12.112 1.00 0.00 C ATOM 77 C ASN 1 7 9.457 5.842 -12.343 1.00 0.00 C ATOM 78 O ASN 1 7 9.253 4.942 -13.158 1.00 0.00 O ATOM 79 CB ASN 1 7 11.840 5.234 -11.925 1.00 0.00 C ATOM 80 CG ASN 1 7 13.221 5.555 -12.464 1.00 0.00 C ATOM 81 OD1 ASN 1 7 13.676 4.952 -13.436 1.00 0.00 O ATOM 82 ND2 ASN 1 7 13.895 6.508 -11.832 1.00 0.00 N ATOM 0 H ASN 1 7 10.442 6.776 -10.108 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.160 6.984 -12.975 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 11.914 4.992 -10.865 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.454 4.348 -12.428 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 14.830 6.767 -12.148 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.478 6.981 -11.030 1.00 0.00 H new ATOM 89 N LYS 1 8 8.500 6.380 -11.592 1.00 0.00 N ATOM 90 CA LYS 1 8 7.120 5.942 -11.675 1.00 0.00 C ATOM 91 C LYS 1 8 6.979 4.553 -11.066 1.00 0.00 C ATOM 92 O LYS 1 8 6.033 3.824 -11.364 1.00 0.00 O ATOM 93 CB LYS 1 8 6.633 5.938 -13.126 1.00 0.00 C ATOM 94 CG LYS 1 8 5.131 6.129 -13.264 1.00 0.00 C ATOM 95 CD LYS 1 8 4.589 5.411 -14.489 1.00 0.00 C ATOM 96 CE LYS 1 8 4.008 4.054 -14.128 1.00 0.00 C ATOM 97 NZ LYS 1 8 4.281 3.035 -15.178 1.00 0.00 N ATOM 0 H LYS 1 8 8.663 7.126 -10.915 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.502 6.642 -11.114 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.143 6.730 -13.674 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.915 4.994 -13.593 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 4.632 5.754 -12.371 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 4.903 7.193 -13.334 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 3.820 6.023 -14.960 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 5.387 5.283 -15.220 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 4.429 3.720 -13.180 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 2.932 4.147 -13.984 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 3.868 2.124 -14.893 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 3.858 3.341 -16.077 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 5.308 2.927 -15.298 1.00 0.00 H new ATOM 111 N ILE 1 9 7.936 4.189 -10.211 1.00 0.00 N ATOM 112 CA ILE 1 9 7.926 2.892 -9.564 1.00 0.00 C ATOM 113 C ILE 1 9 7.729 3.028 -8.060 1.00 0.00 C ATOM 114 O ILE 1 9 8.447 3.772 -7.391 1.00 0.00 O ATOM 115 CB ILE 1 9 9.241 2.113 -9.845 1.00 0.00 C ATOM 116 CG1 ILE 1 9 8.946 0.706 -10.366 1.00 0.00 C ATOM 117 CG2 ILE 1 9 10.126 2.028 -8.609 1.00 0.00 C ATOM 118 CD1 ILE 1 9 7.823 -0.001 -9.634 1.00 0.00 C ATOM 0 H ILE 1 9 8.726 4.781 -9.955 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.088 2.333 -9.981 1.00 0.00 H new ATOM 0 HB ILE 1 9 9.779 2.671 -10.611 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 8.693 0.767 -11.425 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 9.851 0.104 -10.289 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 11.034 1.476 -8.849 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 10.389 3.033 -8.280 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.589 1.514 -7.812 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 7.676 -0.992 -10.063 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 8.080 -0.097 -8.579 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 6.904 0.577 -9.733 1.00 0.00 H new ATOM 130 N LEU 1 10 6.783 2.274 -7.532 1.00 0.00 N ATOM 131 CA LEU 1 10 6.528 2.271 -6.103 1.00 0.00 C ATOM 132 C LEU 1 10 7.389 1.184 -5.483 1.00 0.00 C ATOM 133 O LEU 1 10 6.887 0.248 -4.859 1.00 0.00 O ATOM 134 CB LEU 1 10 5.043 2.018 -5.808 1.00 0.00 C ATOM 135 CG LEU 1 10 4.087 2.315 -6.966 1.00 0.00 C ATOM 136 CD1 LEU 1 10 3.955 1.101 -7.873 1.00 0.00 C ATOM 137 CD2 LEU 1 10 2.726 2.740 -6.436 1.00 0.00 C ATOM 0 H LEU 1 10 6.178 1.655 -8.071 1.00 0.00 H new ATOM 0 HA LEU 1 10 6.777 3.243 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 4.920 0.975 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 4.751 2.626 -4.952 1.00 0.00 H new ATOM 0 HG LEU 1 10 4.498 3.137 -7.552 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 3.272 1.330 -8.691 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 4.933 0.842 -8.279 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 3.566 0.259 -7.300 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 2.058 2.947 -7.272 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 2.307 1.939 -5.827 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 2.836 3.638 -5.829 1.00 0.00 H new ATOM 149 N GLU 1 11 8.697 1.300 -5.697 1.00 0.00 N ATOM 150 CA GLU 1 11 9.639 0.310 -5.200 1.00 0.00 C ATOM 151 C GLU 1 11 10.719 0.950 -4.347 1.00 0.00 C ATOM 152 O GLU 1 11 11.092 0.401 -3.312 1.00 0.00 O ATOM 153 CB GLU 1 11 10.270 -0.450 -6.366 1.00 0.00 C ATOM 154 CG GLU 1 11 9.258 -1.190 -7.224 1.00 0.00 C ATOM 155 CD GLU 1 11 9.103 -2.643 -6.820 1.00 0.00 C ATOM 156 OE1 GLU 1 11 10.073 -3.215 -6.279 1.00 0.00 O ATOM 157 OE2 GLU 1 11 8.013 -3.209 -7.045 1.00 0.00 O ATOM 0 H GLU 1 11 9.125 2.070 -6.211 1.00 0.00 H new ATOM 0 HA GLU 1 11 9.088 -0.390 -4.572 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 10.821 0.252 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 10.994 -1.164 -5.975 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 8.292 -0.691 -7.151 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 9.565 -1.138 -8.268 1.00 0.00 H new ATOM 164 N GLN 1 12 11.232 2.101 -4.781 1.00 0.00 N ATOM 165 CA GLN 1 12 12.284 2.789 -4.020 1.00 0.00 C ATOM 166 C GLN 1 12 11.796 3.229 -2.631 1.00 0.00 C ATOM 167 O GLN 1 12 11.898 4.401 -2.279 1.00 0.00 O ATOM 168 CB GLN 1 12 12.793 4.012 -4.785 1.00 0.00 C ATOM 169 CG GLN 1 12 13.943 4.723 -4.089 1.00 0.00 C ATOM 170 CD GLN 1 12 15.247 4.619 -4.857 1.00 0.00 C ATOM 171 OE1 GLN 1 12 15.432 5.277 -5.880 1.00 0.00 O ATOM 172 NE2 GLN 1 12 16.159 3.789 -4.364 1.00 0.00 N ATOM 0 H GLN 1 12 10.946 2.573 -5.639 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.096 2.074 -3.888 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.116 3.702 -5.779 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 11.971 4.714 -4.922 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 13.687 5.774 -3.956 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 14.078 4.299 -3.094 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 15.963 3.263 -3.512 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 17.056 3.678 -4.837 1.00 0.00 H new ATOM 181 N GLY 1 13 11.278 2.289 -1.839 1.00 0.00 N ATOM 182 CA GLY 1 13 10.796 2.616 -0.504 1.00 0.00 C ATOM 183 C GLY 1 13 9.928 3.861 -0.477 1.00 0.00 C ATOM 184 O GLY 1 13 9.853 4.553 0.538 1.00 0.00 O ATOM 0 H GLY 1 13 11.184 1.307 -2.098 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.226 1.773 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 11.649 2.759 0.160 1.00 0.00 H new ATOM 188 N GLU 1 14 9.278 4.151 -1.600 1.00 0.00 N ATOM 189 CA GLU 1 14 8.420 5.325 -1.708 1.00 0.00 C ATOM 190 C GLU 1 14 6.955 4.966 -1.481 1.00 0.00 C ATOM 191 O GLU 1 14 6.324 5.470 -0.552 1.00 0.00 O ATOM 192 CB GLU 1 14 8.607 5.970 -3.081 1.00 0.00 C ATOM 193 CG GLU 1 14 10.066 6.213 -3.438 1.00 0.00 C ATOM 194 CD GLU 1 14 10.854 6.868 -2.312 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.224 7.433 -1.394 1.00 0.00 O ATOM 196 OE2 GLU 1 14 12.102 6.817 -2.349 1.00 0.00 O ATOM 0 H GLU 1 14 9.330 3.588 -2.449 1.00 0.00 H new ATOM 0 HA GLU 1 14 8.707 6.035 -0.932 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.156 5.330 -3.840 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.071 6.919 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 10.534 5.263 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.117 6.845 -4.325 1.00 0.00 H new ATOM 203 N ASP 1 15 6.426 4.088 -2.333 1.00 0.00 N ATOM 204 CA ASP 1 15 5.033 3.639 -2.237 1.00 0.00 C ATOM 205 C ASP 1 15 4.071 4.612 -2.916 1.00 0.00 C ATOM 206 O ASP 1 15 2.856 4.494 -2.763 1.00 0.00 O ATOM 207 CB ASP 1 15 4.616 3.449 -0.775 1.00 0.00 C ATOM 208 CG ASP 1 15 5.674 2.736 0.043 1.00 0.00 C ATOM 209 OD1 ASP 1 15 5.968 1.561 -0.261 1.00 0.00 O ATOM 210 OD2 ASP 1 15 6.209 3.352 0.989 1.00 0.00 O ATOM 0 H ASP 1 15 6.945 3.669 -3.105 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.977 2.682 -2.756 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 4.412 4.423 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 3.687 2.880 -0.737 1.00 0.00 H new ATOM 215 N CYS 1 16 4.610 5.568 -3.668 1.00 0.00 N ATOM 216 CA CYS 1 16 3.782 6.548 -4.368 1.00 0.00 C ATOM 217 C CYS 1 16 4.646 7.594 -5.057 1.00 0.00 C ATOM 218 O CYS 1 16 4.838 8.693 -4.539 1.00 0.00 O ATOM 219 CB CYS 1 16 2.812 7.231 -3.398 1.00 0.00 C ATOM 220 SG CYS 1 16 1.087 6.645 -3.509 1.00 0.00 S ATOM 0 H CYS 1 16 5.613 5.686 -3.809 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.206 6.016 -5.125 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.169 7.077 -2.380 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 2.830 8.305 -3.583 1.00 0.00 H new ATOM 225 N ASP 1 17 5.162 7.250 -6.228 1.00 0.00 N ATOM 226 CA ASP 1 17 6.004 8.168 -6.980 1.00 0.00 C ATOM 227 C ASP 1 17 5.550 8.275 -8.432 1.00 0.00 C ATOM 228 O ASP 1 17 4.859 7.398 -8.952 1.00 0.00 O ATOM 229 CB ASP 1 17 7.465 7.716 -6.919 1.00 0.00 C ATOM 230 CG ASP 1 17 8.347 8.462 -7.903 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.587 9.669 -7.691 1.00 0.00 O ATOM 232 OD2 ASP 1 17 8.789 7.840 -8.891 1.00 0.00 O ATOM 0 H ASP 1 17 5.013 6.346 -6.676 1.00 0.00 H new ATOM 0 HA ASP 1 17 5.914 9.154 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 7.846 7.866 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.520 6.647 -7.125 1.00 0.00 H new ATOM 237 N CYS 1 18 5.964 9.357 -9.077 1.00 0.00 N ATOM 238 CA CYS 1 18 5.632 9.604 -10.473 1.00 0.00 C ATOM 239 C CYS 1 18 6.906 9.789 -11.293 1.00 0.00 C ATOM 240 O CYS 1 18 7.760 10.606 -10.950 1.00 0.00 O ATOM 241 CB CYS 1 18 4.754 10.851 -10.600 1.00 0.00 C ATOM 242 SG CYS 1 18 3.059 10.642 -9.963 1.00 0.00 S ATOM 0 H CYS 1 18 6.537 10.085 -8.650 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.083 8.743 -10.853 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.231 11.673 -10.067 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.702 11.139 -11.650 1.00 0.00 H new ATOM 247 N GLY 1 19 7.034 9.029 -12.376 1.00 0.00 N ATOM 248 CA GLY 1 19 8.213 9.131 -13.224 1.00 0.00 C ATOM 249 C GLY 1 19 8.626 10.570 -13.475 1.00 0.00 C ATOM 250 O GLY 1 19 9.815 10.877 -13.559 1.00 0.00 O ATOM 0 H GLY 1 19 6.344 8.344 -12.683 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 9.040 8.595 -12.757 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 8.014 8.642 -14.178 1.00 0.00 H new ATOM 254 N SER 1 20 7.638 11.452 -13.586 1.00 0.00 N ATOM 255 CA SER 1 20 7.895 12.867 -13.818 1.00 0.00 C ATOM 256 C SER 1 20 6.958 13.729 -12.969 1.00 0.00 C ATOM 257 O SER 1 20 5.742 13.693 -13.155 1.00 0.00 O ATOM 258 CB SER 1 20 7.714 13.204 -15.299 1.00 0.00 C ATOM 259 OG SER 1 20 8.944 13.115 -15.997 1.00 0.00 O ATOM 0 H SER 1 20 6.649 11.210 -13.519 1.00 0.00 H new ATOM 0 HA SER 1 20 8.924 13.080 -13.530 1.00 0.00 H new ATOM 0 HB2 SER 1 20 6.990 12.522 -15.744 1.00 0.00 H new ATOM 0 HB3 SER 1 20 7.308 14.210 -15.399 1.00 0.00 H new ATOM 0 HG SER 1 20 8.801 13.333 -16.942 1.00 0.00 H new ATOM 265 N PRO 1 21 7.503 14.520 -12.024 1.00 0.00 N ATOM 266 CA PRO 1 21 6.693 15.384 -11.160 1.00 0.00 C ATOM 267 C PRO 1 21 5.740 16.266 -11.960 1.00 0.00 C ATOM 268 O PRO 1 21 4.705 16.698 -11.453 1.00 0.00 O ATOM 269 CB PRO 1 21 7.724 16.242 -10.411 1.00 0.00 C ATOM 270 CG PRO 1 21 9.026 16.007 -11.102 1.00 0.00 C ATOM 271 CD PRO 1 21 8.935 14.643 -11.720 1.00 0.00 C ATOM 0 HA PRO 1 21 6.056 14.802 -10.494 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.450 17.297 -10.440 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.781 15.957 -9.361 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.205 16.767 -11.862 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 9.855 16.060 -10.397 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.548 14.564 -12.618 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.272 13.865 -11.035 1.00 0.00 H new ATOM 279 N ALA 1 22 6.092 16.523 -13.217 1.00 0.00 N ATOM 280 CA ALA 1 22 5.263 17.345 -14.089 1.00 0.00 C ATOM 281 C ALA 1 22 4.184 16.501 -14.757 1.00 0.00 C ATOM 282 O ALA 1 22 3.094 16.988 -15.056 1.00 0.00 O ATOM 283 CB ALA 1 22 6.122 18.036 -15.137 1.00 0.00 C ATOM 0 H ALA 1 22 6.945 16.173 -13.653 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.774 18.107 -13.482 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 5.489 18.646 -15.781 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.857 18.671 -14.643 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.636 17.286 -15.738 1.00 0.00 H new ATOM 289 N ASN 1 23 4.495 15.227 -14.977 1.00 0.00 N ATOM 290 CA ASN 1 23 3.554 14.302 -15.597 1.00 0.00 C ATOM 291 C ASN 1 23 3.018 13.315 -14.565 1.00 0.00 C ATOM 292 O ASN 1 23 2.554 12.228 -14.910 1.00 0.00 O ATOM 293 CB ASN 1 23 4.227 13.546 -16.744 1.00 0.00 C ATOM 294 CG ASN 1 23 4.550 14.448 -17.919 1.00 0.00 C ATOM 295 OD1 ASN 1 23 3.686 15.166 -18.421 1.00 0.00 O ATOM 296 ND2 ASN 1 23 5.800 14.414 -18.365 1.00 0.00 N ATOM 0 H ASN 1 23 5.394 14.811 -14.734 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.720 14.878 -15.997 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.145 13.083 -16.381 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 3.574 12.740 -17.077 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 6.076 14.998 -19.154 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 6.484 13.803 -17.919 1.00 0.00 H new ATOM 303 N CYS 1 24 3.092 13.704 -13.296 1.00 0.00 N ATOM 304 CA CYS 1 24 2.626 12.865 -12.204 1.00 0.00 C ATOM 305 C CYS 1 24 1.141 12.568 -12.342 1.00 0.00 C ATOM 306 O CYS 1 24 0.300 13.256 -11.764 1.00 0.00 O ATOM 307 CB CYS 1 24 2.908 13.544 -10.865 1.00 0.00 C ATOM 308 SG CYS 1 24 2.516 12.520 -9.409 1.00 0.00 S ATOM 0 H CYS 1 24 3.474 14.602 -13.000 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.166 11.919 -12.244 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.961 13.822 -10.826 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.332 14.468 -10.811 1.00 0.00 H new ATOM 313 N GLN 1 25 0.829 11.537 -13.115 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.556 11.135 -13.339 1.00 0.00 C ATOM 315 C GLN 1 25 -1.063 10.242 -12.207 1.00 0.00 C ATOM 316 O GLN 1 25 -1.689 9.209 -12.450 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.683 10.404 -14.678 1.00 0.00 C ATOM 318 CG GLN 1 25 0.160 9.143 -14.765 1.00 0.00 C ATOM 319 CD GLN 1 25 -0.053 8.388 -16.063 1.00 0.00 C ATOM 320 OE1 GLN 1 25 0.024 8.963 -17.149 1.00 0.00 O ATOM 321 NE2 GLN 1 25 -0.324 7.092 -15.956 1.00 0.00 N ATOM 0 H GLN 1 25 1.517 10.961 -13.600 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.168 12.036 -13.361 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.729 10.144 -14.843 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.393 11.081 -15.481 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.213 9.407 -14.671 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -0.081 8.491 -13.926 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 -0.378 6.657 -15.035 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 -0.478 6.532 -16.795 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.796 10.649 -10.970 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.231 9.895 -9.802 1.00 0.00 C ATOM 332 C ASP 1 26 -1.617 10.846 -8.676 1.00 0.00 C ATOM 333 O ASP 1 26 -0.764 11.314 -7.923 1.00 0.00 O ATOM 334 CB ASP 1 26 -0.123 8.950 -9.335 1.00 0.00 C ATOM 335 CG ASP 1 26 -0.665 7.616 -8.858 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -1.741 7.606 -8.224 1.00 0.00 O ATOM 337 OD2 ASP 1 26 -0.013 6.583 -9.117 1.00 0.00 O ATOM 0 H ASP 1 26 -0.278 11.500 -10.751 1.00 0.00 H new ATOM 0 HA ASP 1 26 -2.103 9.302 -10.077 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.577 8.783 -10.153 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 0.437 9.422 -8.527 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.907 11.136 -8.573 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.407 12.041 -7.547 1.00 0.00 C ATOM 344 C ARG 1 27 -3.169 11.482 -6.145 1.00 0.00 C ATOM 345 O ARG 1 27 -3.158 12.228 -5.166 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.896 12.307 -7.767 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.782 11.102 -7.493 1.00 0.00 C ATOM 348 CD ARG 1 27 -6.998 11.085 -8.405 1.00 0.00 C ATOM 349 NE ARG 1 27 -8.174 11.665 -7.760 1.00 0.00 N ATOM 350 CZ ARG 1 27 -9.396 11.637 -8.285 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -9.608 11.059 -9.461 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -10.411 12.187 -7.632 1.00 0.00 N ATOM 0 H ARG 1 27 -3.627 10.757 -9.188 1.00 0.00 H new ATOM 0 HA ARG 1 27 -2.859 12.980 -7.627 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.208 13.129 -7.123 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.049 12.632 -8.796 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.207 10.187 -7.635 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -6.107 11.117 -6.453 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -6.775 11.638 -9.317 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -7.216 10.059 -8.700 1.00 0.00 H new ATOM 0 HE ARG 1 27 -8.051 12.118 -6.854 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -8.832 10.633 -9.967 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -10.547 11.041 -9.858 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -10.255 12.631 -6.727 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -11.348 12.166 -8.035 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.978 10.170 -6.054 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.740 9.523 -4.768 1.00 0.00 C ATOM 368 C CYS 1 28 -1.245 9.299 -4.527 1.00 0.00 C ATOM 369 O CYS 1 28 -0.833 8.953 -3.420 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.494 8.193 -4.696 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.260 8.368 -4.280 1.00 0.00 S ATOM 0 H CYS 1 28 -2.983 9.535 -6.852 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.111 10.184 -3.985 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.405 7.684 -5.656 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -3.017 7.556 -3.952 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.437 9.501 -5.567 1.00 0.00 N ATOM 377 CA CYS 1 29 1.008 9.325 -5.462 1.00 0.00 C ATOM 378 C CYS 1 29 1.742 10.526 -6.050 1.00 0.00 C ATOM 379 O CYS 1 29 1.520 10.895 -7.202 1.00 0.00 O ATOM 380 CB CYS 1 29 1.440 8.049 -6.185 1.00 0.00 C ATOM 381 SG CYS 1 29 0.715 6.524 -5.502 1.00 0.00 S ATOM 0 H CYS 1 29 -0.760 9.787 -6.491 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.265 9.242 -4.406 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.165 8.130 -7.237 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.526 7.972 -6.144 1.00 0.00 H new ATOM 386 N ASN 1 30 2.612 11.139 -5.254 1.00 0.00 N ATOM 387 CA ASN 1 30 3.365 12.306 -5.707 1.00 0.00 C ATOM 388 C ASN 1 30 4.855 11.996 -5.839 1.00 0.00 C ATOM 389 O ASN 1 30 5.458 11.385 -4.951 1.00 0.00 O ATOM 390 CB ASN 1 30 3.148 13.476 -4.743 1.00 0.00 C ATOM 391 CG ASN 1 30 3.984 14.691 -5.096 1.00 0.00 C ATOM 392 OD1 ASN 1 30 4.033 15.111 -6.253 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.648 15.262 -4.098 1.00 0.00 N ATOM 0 H ASN 1 30 2.813 10.850 -4.297 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.996 12.581 -6.695 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.094 13.753 -4.746 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.390 13.156 -3.730 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 5.228 16.082 -4.275 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.578 14.880 -3.155 1.00 0.00 H new ATOM 400 N ALA 1 31 5.437 12.433 -6.958 1.00 0.00 N ATOM 401 CA ALA 1 31 6.855 12.224 -7.230 1.00 0.00 C ATOM 402 C ALA 1 31 7.713 13.153 -6.384 1.00 0.00 C ATOM 403 O ALA 1 31 8.743 12.750 -5.845 1.00 0.00 O ATOM 404 CB ALA 1 31 7.147 12.458 -8.704 1.00 0.00 C ATOM 0 H ALA 1 31 4.941 12.937 -7.693 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.100 11.194 -6.973 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.208 12.299 -8.894 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.562 11.762 -9.306 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.880 13.481 -8.970 1.00 0.00 H new ATOM 410 N ALA 1 32 7.275 14.403 -6.275 1.00 0.00 N ATOM 411 CA ALA 1 32 7.996 15.403 -5.495 1.00 0.00 C ATOM 412 C ALA 1 32 8.214 14.935 -4.059 1.00 0.00 C ATOM 413 O ALA 1 32 9.076 15.456 -3.351 1.00 0.00 O ATOM 414 CB ALA 1 32 7.241 16.724 -5.513 1.00 0.00 C ATOM 0 H ALA 1 32 6.423 14.748 -6.717 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.976 15.546 -5.951 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.788 17.464 -4.928 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.144 17.074 -6.541 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.249 16.582 -5.083 1.00 0.00 H new ATOM 420 N THR 1 33 7.428 13.951 -3.635 1.00 0.00 N ATOM 421 CA THR 1 33 7.535 13.414 -2.288 1.00 0.00 C ATOM 422 C THR 1 33 7.861 11.928 -2.323 1.00 0.00 C ATOM 423 O THR 1 33 8.323 11.361 -1.333 1.00 0.00 O ATOM 424 CB THR 1 33 6.220 13.624 -1.532 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.390 13.373 -0.149 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.096 12.732 -2.028 1.00 0.00 C ATOM 0 H THR 1 33 6.709 13.510 -4.208 1.00 0.00 H new ATOM 0 HA THR 1 33 8.341 13.941 -1.777 1.00 0.00 H new ATOM 0 HB THR 1 33 5.945 14.663 -1.712 1.00 0.00 H new ATOM 0 HG1 THR 1 33 7.037 12.648 -0.025 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.193 12.930 -1.451 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.906 12.938 -3.081 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.381 11.687 -1.908 1.00 0.00 H new ATOM 434 N CYS 1 34 7.583 11.291 -3.457 1.00 0.00 N ATOM 435 CA CYS 1 34 7.813 9.866 -3.597 1.00 0.00 C ATOM 436 C CYS 1 34 7.087 9.138 -2.471 1.00 0.00 C ATOM 437 O CYS 1 34 7.679 8.364 -1.718 1.00 0.00 O ATOM 438 CB CYS 1 34 9.311 9.547 -3.578 1.00 0.00 C ATOM 439 SG CYS 1 34 10.037 9.255 -5.227 1.00 0.00 S ATOM 0 H CYS 1 34 7.199 11.742 -4.287 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.424 9.529 -4.558 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.840 10.372 -3.102 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.475 8.664 -2.960 1.00 0.00 H new ATOM 444 N LYS 1 35 5.795 9.424 -2.356 1.00 0.00 N ATOM 445 CA LYS 1 35 4.958 8.832 -1.321 1.00 0.00 C ATOM 446 C LYS 1 35 3.520 9.335 -1.453 1.00 0.00 C ATOM 447 O LYS 1 35 3.258 10.324 -2.138 1.00 0.00 O ATOM 448 CB LYS 1 35 5.531 9.157 0.069 1.00 0.00 C ATOM 449 CG LYS 1 35 4.497 9.604 1.095 1.00 0.00 C ATOM 450 CD LYS 1 35 5.139 9.899 2.441 1.00 0.00 C ATOM 451 CE LYS 1 35 5.032 8.709 3.381 1.00 0.00 C ATOM 452 NZ LYS 1 35 4.808 9.134 4.790 1.00 0.00 N ATOM 0 H LYS 1 35 5.302 10.069 -2.974 1.00 0.00 H new ATOM 0 HA LYS 1 35 4.950 7.749 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 6.044 8.274 0.451 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.281 9.941 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 3.984 10.495 0.732 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 3.741 8.828 1.214 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 6.188 10.157 2.296 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 4.657 10.766 2.893 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 4.212 8.066 3.061 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 5.944 8.116 3.321 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 4.741 8.294 5.399 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 5.603 9.727 5.104 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 3.924 9.678 4.852 1.00 0.00 H new ATOM 466 N LEU 1 36 2.593 8.642 -0.798 1.00 0.00 N ATOM 467 CA LEU 1 36 1.181 9.009 -0.844 1.00 0.00 C ATOM 468 C LEU 1 36 0.980 10.483 -0.500 1.00 0.00 C ATOM 469 O LEU 1 36 1.640 11.019 0.391 1.00 0.00 O ATOM 470 CB LEU 1 36 0.376 8.136 0.121 1.00 0.00 C ATOM 471 CG LEU 1 36 0.322 6.651 -0.242 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.356 5.792 1.012 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.923 6.350 -1.063 1.00 0.00 C ATOM 0 H LEU 1 36 2.795 7.821 -0.228 1.00 0.00 H new ATOM 0 HA LEU 1 36 0.826 8.845 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 0.803 8.235 1.119 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.643 8.520 0.170 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.198 6.411 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.317 4.739 0.733 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.276 5.988 1.562 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.501 6.033 1.641 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.946 5.289 -1.313 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.811 6.606 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.905 6.939 -1.980 1.00 0.00 H new ATOM 485 N THR 1 37 0.064 11.130 -1.213 1.00 0.00 N ATOM 486 CA THR 1 37 -0.227 12.541 -0.986 1.00 0.00 C ATOM 487 C THR 1 37 -1.327 12.706 0.060 1.00 0.00 C ATOM 488 O THR 1 37 -2.054 11.760 0.363 1.00 0.00 O ATOM 489 CB THR 1 37 -0.647 13.214 -2.294 1.00 0.00 C ATOM 490 OG1 THR 1 37 -1.992 12.904 -2.608 1.00 0.00 O ATOM 491 CG2 THR 1 37 0.206 12.811 -3.478 1.00 0.00 C ATOM 0 H THR 1 37 -0.490 10.699 -1.953 1.00 0.00 H new ATOM 0 HA THR 1 37 0.680 13.019 -0.615 1.00 0.00 H new ATOM 0 HB THR 1 37 -0.517 14.283 -2.122 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.070 12.720 -3.567 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.147 13.325 -4.372 1.00 0.00 H new ATOM 0 HG22 THR 1 37 1.244 13.084 -3.288 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.136 11.734 -3.627 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.465 13.918 0.627 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.484 14.202 1.643 1.00 0.00 C ATOM 501 C PRO 1 38 -3.882 13.796 1.187 1.00 0.00 C ATOM 502 O PRO 1 38 -4.414 14.341 0.221 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.399 15.719 1.819 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.010 16.071 1.413 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.640 15.102 0.324 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.310 13.644 2.563 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.134 16.231 1.199 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -2.595 16.009 2.851 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -0.956 17.099 1.055 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.324 15.991 2.257 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -0.862 15.504 -0.664 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.424 14.866 0.341 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.471 12.833 1.890 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.802 12.369 1.542 1.00 0.00 C ATOM 515 C GLY 1 39 -5.804 10.936 1.047 1.00 0.00 C ATOM 516 O GLY 1 39 -6.799 10.224 1.190 1.00 0.00 O ATOM 0 H GLY 1 39 -4.051 12.366 2.694 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.451 12.450 2.414 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.220 13.017 0.772 1.00 0.00 H new ATOM 520 N SER 1 40 -4.688 10.512 0.463 1.00 0.00 N ATOM 521 CA SER 1 40 -4.564 9.155 -0.054 1.00 0.00 C ATOM 522 C SER 1 40 -3.664 8.313 0.843 1.00 0.00 C ATOM 523 O SER 1 40 -2.576 8.743 1.226 1.00 0.00 O ATOM 524 CB SER 1 40 -4.005 9.179 -1.478 1.00 0.00 C ATOM 525 OG SER 1 40 -2.668 9.647 -1.493 1.00 0.00 O ATOM 0 H SER 1 40 -3.857 11.089 0.336 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.557 8.705 -0.068 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -4.048 8.177 -1.906 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -4.625 9.820 -2.105 1.00 0.00 H new ATOM 0 HG SER 1 40 -2.160 9.163 -2.177 1.00 0.00 H new ATOM 531 N GLN 1 41 -4.125 7.113 1.177 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.362 6.212 2.033 1.00 0.00 C ATOM 533 C GLN 1 41 -2.910 4.974 1.263 1.00 0.00 C ATOM 534 O GLN 1 41 -1.904 4.353 1.606 1.00 0.00 O ATOM 535 CB GLN 1 41 -4.198 5.795 3.244 1.00 0.00 C ATOM 536 CG GLN 1 41 -4.111 6.769 4.408 1.00 0.00 C ATOM 537 CD GLN 1 41 -4.644 6.181 5.700 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -4.145 5.166 6.186 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -5.664 6.818 6.263 1.00 0.00 N ATOM 0 H GLN 1 41 -5.023 6.741 0.868 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.476 6.746 2.376 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -5.240 5.698 2.940 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -3.871 4.811 3.579 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.072 7.068 4.550 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.672 7.671 4.165 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -6.046 7.656 5.825 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -6.065 6.469 7.133 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.658 4.618 0.223 1.00 0.00 N ATOM 549 CA CYS 1 42 -3.332 3.451 -0.588 1.00 0.00 C ATOM 550 C CYS 1 42 -3.198 3.820 -2.062 1.00 0.00 C ATOM 551 O CYS 1 42 -3.446 4.958 -2.462 1.00 0.00 O ATOM 552 CB CYS 1 42 -4.396 2.362 -0.405 1.00 0.00 C ATOM 553 SG CYS 1 42 -5.616 2.220 -1.761 1.00 0.00 S ATOM 0 H CYS 1 42 -4.493 5.121 -0.077 1.00 0.00 H new ATOM 0 HA CYS 1 42 -2.370 3.066 -0.251 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.893 1.402 -0.290 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.932 2.554 0.524 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.818 2.833 -2.856 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.653 2.996 -4.294 1.00 0.00 C ATOM 560 C ASN 1 43 -2.173 1.684 -4.906 1.00 0.00 C ATOM 561 O ASN 1 43 -2.514 1.348 -6.041 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.672 4.128 -4.603 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.420 4.285 -6.091 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -2.222 4.884 -6.808 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.302 3.746 -6.563 1.00 0.00 N ATOM 0 H ASN 1 43 -2.614 1.891 -2.522 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.615 3.261 -4.732 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -2.063 5.063 -4.203 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.727 3.935 -4.096 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -0.080 3.820 -7.556 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 0.335 3.258 -5.933 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.392 0.940 -4.129 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.869 -0.348 -4.557 1.00 0.00 C ATOM 574 C TYR 1 44 -0.587 -1.222 -3.333 1.00 0.00 C ATOM 575 O TYR 1 44 0.210 -0.855 -2.470 1.00 0.00 O ATOM 576 CB TYR 1 44 0.397 -0.153 -5.410 1.00 0.00 C ATOM 577 CG TYR 1 44 1.667 -0.690 -4.784 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.883 -2.057 -4.675 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.643 0.171 -4.300 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.036 -2.552 -4.101 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.801 -0.316 -3.725 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.993 -1.679 -3.628 1.00 0.00 C ATOM 583 OH TYR 1 44 5.144 -2.169 -3.055 1.00 0.00 O ATOM 0 H TYR 1 44 -1.106 1.214 -3.189 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.611 -0.853 -5.176 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.248 -0.640 -6.374 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.526 0.911 -5.607 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.137 -2.744 -5.045 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.495 1.238 -4.374 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.188 -3.618 -4.023 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.552 0.366 -3.354 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.714 -1.422 -2.775 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.249 -2.372 -3.260 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.055 -3.266 -2.133 1.00 0.00 C ATOM 595 C GLY 1 45 -2.339 -3.952 -1.701 1.00 0.00 C ATOM 596 O GLY 1 45 -3.435 -3.532 -2.073 1.00 0.00 O ATOM 0 H GLY 1 45 -1.915 -2.701 -3.959 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.315 -4.022 -2.397 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.649 -2.702 -1.293 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.197 -5.015 -0.915 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.343 -5.780 -0.428 1.00 0.00 C ATOM 602 C GLU 1 46 -4.292 -4.915 0.397 1.00 0.00 C ATOM 603 O GLU 1 46 -5.509 -4.973 0.227 1.00 0.00 O ATOM 604 CB GLU 1 46 -2.856 -6.948 0.431 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.753 -8.264 -0.321 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.931 -8.150 -1.589 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -2.469 -7.656 -2.603 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -0.750 -8.555 -1.570 1.00 0.00 O ATOM 0 H GLU 1 46 -1.294 -5.369 -0.599 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.887 -6.149 -1.298 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -1.878 -6.699 0.844 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.536 -7.075 1.274 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.307 -9.016 0.330 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.754 -8.614 -0.572 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.724 -4.132 1.304 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.512 -3.271 2.179 1.00 0.00 C ATOM 617 C CYS 1 47 -5.138 -2.102 1.422 1.00 0.00 C ATOM 618 O CYS 1 47 -6.049 -1.448 1.928 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.632 -2.747 3.312 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.660 -3.777 4.810 1.00 0.00 S ATOM 0 H CYS 1 47 -2.717 -4.075 1.454 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.327 -3.869 2.587 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.605 -2.672 2.955 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -3.954 -1.738 3.571 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.641 -1.825 0.222 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.152 -0.719 -0.570 1.00 0.00 C ATOM 627 C CYS 1 48 -6.583 -0.961 -1.045 1.00 0.00 C ATOM 628 O CYS 1 48 -6.887 -1.982 -1.662 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.243 -0.478 -1.776 1.00 0.00 C ATOM 630 SG CYS 1 48 -4.886 0.750 -2.956 1.00 0.00 S ATOM 0 H CYS 1 48 -3.887 -2.351 -0.220 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.162 0.162 0.071 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.266 -0.149 -1.421 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.091 -1.423 -2.298 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.449 0.010 -0.762 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.848 -0.051 -1.163 1.00 0.00 C ATOM 637 C ASP 1 49 -9.417 1.358 -1.316 1.00 0.00 C ATOM 638 O ASP 1 49 -9.588 2.079 -0.333 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.664 -0.842 -0.138 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.704 -1.732 -0.790 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.329 -2.540 -1.665 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.894 -1.620 -0.426 1.00 0.00 O ATOM 0 H ASP 1 49 -7.200 0.857 -0.250 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.910 -0.560 -2.125 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -8.992 -1.454 0.463 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.158 -0.148 0.542 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.702 1.747 -2.556 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.246 3.072 -2.841 1.00 0.00 C ATOM 649 C GLN 1 50 -9.242 4.165 -2.478 1.00 0.00 C ATOM 650 O GLN 1 50 -9.599 5.176 -1.873 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.553 3.287 -2.073 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.572 4.125 -2.828 1.00 0.00 C ATOM 653 CD GLN 1 50 -12.376 5.613 -2.613 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -12.517 6.115 -1.498 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -12.049 6.328 -3.684 1.00 0.00 N ATOM 0 H GLN 1 50 -9.565 1.163 -3.381 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.447 3.131 -3.911 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.993 2.317 -1.842 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.330 3.771 -1.122 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.502 3.903 -3.893 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -13.576 3.844 -2.509 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -11.942 5.871 -4.589 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -11.904 7.334 -3.601 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.984 3.950 -2.848 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.921 4.911 -2.559 1.00 0.00 C ATOM 666 C CYS 1 51 -6.789 5.148 -1.054 1.00 0.00 C ATOM 667 O CYS 1 51 -6.230 6.155 -0.622 1.00 0.00 O ATOM 668 CB CYS 1 51 -7.175 6.235 -3.283 1.00 0.00 C ATOM 669 SG CYS 1 51 -6.048 6.540 -4.683 1.00 0.00 S ATOM 0 H CYS 1 51 -7.673 3.118 -3.350 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.984 4.490 -2.923 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -8.202 6.247 -3.647 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -7.080 7.053 -2.568 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.302 4.208 -0.261 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.235 4.308 1.193 1.00 0.00 C ATOM 676 C ARG 1 52 -7.024 2.930 1.811 1.00 0.00 C ATOM 677 O ARG 1 52 -7.699 1.968 1.445 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.516 4.938 1.743 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.715 6.384 1.317 1.00 0.00 C ATOM 680 CD ARG 1 52 -7.881 7.333 2.162 1.00 0.00 C ATOM 681 NE ARG 1 52 -8.434 7.500 3.504 1.00 0.00 N ATOM 682 CZ ARG 1 52 -7.974 8.379 4.391 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -6.956 9.173 4.083 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -8.535 8.466 5.590 1.00 0.00 N ATOM 0 H ARG 1 52 -7.769 3.368 -0.603 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.390 4.944 1.456 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.372 4.349 1.412 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.497 4.888 2.832 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -8.444 6.496 0.267 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.769 6.648 1.404 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -6.862 6.954 2.234 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -7.825 8.304 1.669 1.00 0.00 H new ATOM 0 HE ARG 1 52 -9.219 6.908 3.777 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -6.522 9.112 3.162 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -6.608 9.845 4.767 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -9.319 7.859 5.832 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -8.183 9.140 6.270 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.079 2.834 2.743 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.783 1.563 3.397 1.00 0.00 C ATOM 700 C PHE 1 53 -7.028 0.964 4.029 1.00 0.00 C ATOM 701 O PHE 1 53 -7.860 1.678 4.589 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.700 1.734 4.465 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.321 1.902 3.900 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -2.933 1.202 2.770 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.413 2.759 4.498 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.668 1.354 2.246 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.143 2.916 3.978 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.769 2.212 2.849 1.00 0.00 C ATOM 0 H PHE 1 53 -5.508 3.617 3.061 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.419 0.883 2.627 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -4.940 2.602 5.079 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.710 0.865 5.124 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.630 0.529 2.294 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.701 3.311 5.381 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.379 0.802 1.364 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.443 3.588 4.453 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.223 2.332 2.440 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.140 -0.353 3.946 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.277 -1.052 4.522 1.00 0.00 C ATOM 720 C LYS 1 54 -8.254 -0.919 6.038 1.00 0.00 C ATOM 721 O LYS 1 54 -7.363 -1.446 6.700 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.257 -2.528 4.120 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.126 -2.840 2.912 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.450 -3.831 1.978 1.00 0.00 C ATOM 725 CE LYS 1 54 -9.225 -3.991 0.680 1.00 0.00 C ATOM 726 NZ LYS 1 54 -9.245 -5.406 0.216 1.00 0.00 N ATOM 0 H LYS 1 54 -6.459 -0.957 3.486 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.194 -0.603 4.141 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.230 -2.824 3.905 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.592 -3.131 4.964 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.081 -3.246 3.245 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.343 -1.919 2.371 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.437 -3.493 1.759 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -8.363 -4.798 2.473 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -10.247 -3.641 0.822 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.777 -3.363 -0.090 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.783 -5.473 -0.672 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -8.271 -5.733 0.056 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.695 -6.002 0.939 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.232 -0.202 6.583 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.319 0.012 8.026 1.00 0.00 C ATOM 742 C LYS 1 55 -8.924 -1.243 8.797 1.00 0.00 C ATOM 743 O LYS 1 55 -9.472 -2.326 8.566 1.00 0.00 O ATOM 744 CB LYS 1 55 -10.736 0.436 8.413 1.00 0.00 C ATOM 745 CG LYS 1 55 -10.895 0.749 9.892 1.00 0.00 C ATOM 746 CD LYS 1 55 -12.334 1.096 10.237 1.00 0.00 C ATOM 747 CE LYS 1 55 -13.076 -0.104 10.801 1.00 0.00 C ATOM 748 NZ LYS 1 55 -14.030 0.287 11.875 1.00 0.00 N ATOM 0 H LYS 1 55 -9.978 0.242 6.047 1.00 0.00 H new ATOM 0 HA LYS 1 55 -8.621 0.807 8.289 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.015 1.315 7.832 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.431 -0.359 8.142 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -10.575 -0.109 10.483 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.245 1.581 10.161 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -12.349 1.909 10.963 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -12.847 1.456 9.345 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -13.618 -0.605 9.999 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -12.358 -0.822 11.197 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -14.516 -0.560 12.233 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -13.510 0.743 12.652 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -14.731 0.952 11.491 1.00 0.00 H new ATOM 762 N ALA 1 56 -7.962 -1.093 9.710 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.491 -2.214 10.513 1.00 0.00 C ATOM 764 C ALA 1 56 -8.647 -3.125 10.888 1.00 0.00 C ATOM 765 O ALA 1 56 -9.686 -2.665 11.362 1.00 0.00 O ATOM 766 CB ALA 1 56 -6.786 -1.725 11.765 1.00 0.00 C ATOM 0 H ALA 1 56 -7.497 -0.207 9.908 1.00 0.00 H new ATOM 0 HA ALA 1 56 -6.778 -2.780 9.914 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.444 -2.580 12.347 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -5.930 -1.111 11.484 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.477 -1.132 12.364 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.474 -4.410 10.645 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.527 -5.360 10.932 1.00 0.00 C ATOM 774 C GLY 1 57 -10.025 -6.029 9.670 1.00 0.00 C ATOM 775 O GLY 1 57 -10.727 -7.039 9.729 1.00 0.00 O ATOM 0 H GLY 1 57 -7.624 -4.815 10.254 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.158 -6.116 11.625 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.354 -4.851 11.426 1.00 0.00 H new ATOM 779 N THR 1 58 -9.646 -5.473 8.520 1.00 0.00 N ATOM 780 CA THR 1 58 -10.037 -6.035 7.236 1.00 0.00 C ATOM 781 C THR 1 58 -9.185 -7.261 6.918 1.00 0.00 C ATOM 782 O THR 1 58 -7.990 -7.142 6.646 1.00 0.00 O ATOM 783 CB THR 1 58 -9.876 -4.994 6.128 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.663 -3.847 6.397 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.272 -5.517 4.767 1.00 0.00 C ATOM 0 H THR 1 58 -9.069 -4.634 8.455 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.084 -6.332 7.293 1.00 0.00 H new ATOM 0 HB THR 1 58 -8.815 -4.744 6.112 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.250 -3.329 7.120 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.136 -4.733 4.022 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.648 -6.373 4.511 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.318 -5.823 4.785 1.00 0.00 H new ATOM 793 N VAL 1 59 -9.799 -8.438 6.962 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.086 -9.679 6.686 1.00 0.00 C ATOM 795 C VAL 1 59 -8.654 -9.764 5.225 1.00 0.00 C ATOM 796 O VAL 1 59 -9.489 -9.752 4.320 1.00 0.00 O ATOM 797 CB VAL 1 59 -9.949 -10.912 7.023 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.196 -10.951 6.152 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.140 -12.192 6.865 1.00 0.00 C ATOM 0 H VAL 1 59 -10.787 -8.559 7.186 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.201 -9.675 7.322 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.265 -10.834 8.063 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -11.790 -11.829 6.406 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -11.787 -10.051 6.322 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -10.905 -11.001 5.103 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.766 -13.051 7.107 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.790 -12.277 5.836 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.283 -12.166 7.538 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.346 -9.859 5.000 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.815 -9.958 3.641 1.00 0.00 C ATOM 811 C CYS 1 60 -6.295 -11.363 3.349 1.00 0.00 C ATOM 812 O CYS 1 60 -6.182 -11.764 2.191 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.681 -8.956 3.425 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.050 -7.267 3.988 1.00 0.00 S ATOM 0 H CYS 1 60 -6.638 -9.870 5.734 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.636 -9.733 2.960 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.793 -9.313 3.946 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.437 -8.926 2.363 1.00 0.00 H new ATOM 819 N ARG 1 61 -5.959 -12.099 4.404 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.427 -13.451 4.254 1.00 0.00 C ATOM 821 C ARG 1 61 -5.733 -14.311 5.479 1.00 0.00 C ATOM 822 O ARG 1 61 -6.291 -13.833 6.466 1.00 0.00 O ATOM 823 CB ARG 1 61 -3.911 -13.392 4.042 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.485 -13.515 2.589 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.002 -13.835 2.476 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.188 -12.983 3.339 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.747 -11.776 2.995 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -1.044 -11.263 1.807 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.010 -11.078 3.846 1.00 0.00 N ATOM 0 H ARG 1 61 -6.045 -11.784 5.370 1.00 0.00 H new ATOM 0 HA ARG 1 61 -5.908 -13.905 3.387 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.535 -12.450 4.442 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.443 -14.192 4.616 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.067 -14.297 2.102 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.700 -12.584 2.064 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -1.836 -14.880 2.739 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -1.683 -13.712 1.441 1.00 0.00 H new ATOM 0 HE ARG 1 61 -0.942 -13.336 4.264 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -1.615 -11.795 1.150 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -0.702 -10.337 1.551 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.218 -11.466 4.761 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 0.330 -10.152 3.586 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.337 -15.580 5.407 1.00 0.00 N ATOM 844 CA ILE 1 62 -5.535 -16.523 6.499 1.00 0.00 C ATOM 845 C ILE 1 62 -4.597 -17.700 6.344 1.00 0.00 C ATOM 846 O ILE 1 62 -4.525 -18.310 5.277 1.00 0.00 O ATOM 847 CB ILE 1 62 -6.975 -17.090 6.578 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -7.842 -16.598 5.411 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.601 -16.750 7.922 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.485 -15.253 5.645 1.00 0.00 C ATOM 0 H ILE 1 62 -4.872 -15.980 4.592 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.338 -15.959 7.410 1.00 0.00 H new ATOM 0 HB ILE 1 62 -6.919 -18.175 6.492 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -7.226 -16.543 4.513 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -8.623 -17.333 5.218 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -8.612 -17.154 7.965 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.002 -17.185 8.723 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.637 -15.667 8.043 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -9.080 -14.978 4.774 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -9.129 -15.305 6.523 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -7.711 -14.503 5.807 1.00 0.00 H new ATOM 862 N ALA 1 63 -3.897 -18.038 7.414 1.00 0.00 N ATOM 863 CA ALA 1 63 -2.990 -19.171 7.379 1.00 0.00 C ATOM 864 C ALA 1 63 -3.718 -20.385 6.821 1.00 0.00 C ATOM 865 O ALA 1 63 -3.390 -20.875 5.740 1.00 0.00 O ATOM 866 CB ALA 1 63 -2.427 -19.458 8.764 1.00 0.00 C ATOM 0 H ALA 1 63 -3.939 -17.549 8.308 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.148 -18.935 6.728 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -1.750 -20.311 8.712 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -1.883 -18.585 9.124 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -3.244 -19.684 9.449 1.00 0.00 H new ATOM 872 N ARG 1 64 -4.736 -20.838 7.552 1.00 0.00 N ATOM 873 CA ARG 1 64 -5.552 -21.977 7.124 1.00 0.00 C ATOM 874 C ARG 1 64 -6.463 -22.461 8.250 1.00 0.00 C ATOM 875 O ARG 1 64 -6.264 -23.542 8.805 1.00 0.00 O ATOM 876 CB ARG 1 64 -4.673 -23.130 6.635 1.00 0.00 C ATOM 877 CG ARG 1 64 -5.193 -23.797 5.372 1.00 0.00 C ATOM 878 CD ARG 1 64 -5.385 -22.791 4.248 1.00 0.00 C ATOM 879 NE ARG 1 64 -5.436 -23.435 2.938 1.00 0.00 N ATOM 880 CZ ARG 1 64 -5.894 -22.843 1.838 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -6.342 -21.594 1.885 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -5.905 -23.502 0.687 1.00 0.00 N ATOM 0 H ARG 1 64 -5.017 -20.434 8.445 1.00 0.00 H new ATOM 0 HA ARG 1 64 -6.175 -21.636 6.297 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -3.666 -22.755 6.450 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -4.595 -23.877 7.425 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -4.494 -24.570 5.054 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -6.141 -24.292 5.585 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -6.307 -22.234 4.414 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -4.569 -22.069 4.265 1.00 0.00 H new ATOM 0 HE ARG 1 64 -5.101 -24.395 2.862 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -6.336 -21.083 2.768 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -6.692 -21.145 1.038 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -5.563 -24.462 0.646 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -6.256 -23.049 -0.157 1.00 0.00 H new ATOM 896 N GLY 1 65 -7.469 -21.659 8.577 1.00 0.00 N ATOM 897 CA GLY 1 65 -8.397 -22.030 9.629 1.00 0.00 C ATOM 898 C GLY 1 65 -8.969 -20.827 10.349 1.00 0.00 C ATOM 899 O GLY 1 65 -9.721 -20.045 9.766 1.00 0.00 O ATOM 0 H GLY 1 65 -7.659 -20.760 8.134 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.212 -22.614 9.201 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -7.888 -22.672 10.348 1.00 0.00 H new ATOM 903 N ASP 1 66 -8.610 -20.676 11.618 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.092 -19.557 12.418 1.00 0.00 C ATOM 905 C ASP 1 66 -8.324 -19.454 13.731 1.00 0.00 C ATOM 906 O ASP 1 66 -8.794 -19.897 14.778 1.00 0.00 O ATOM 907 CB ASP 1 66 -10.588 -19.705 12.694 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.337 -18.396 12.542 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -10.689 -17.330 12.611 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.571 -18.436 12.354 1.00 0.00 O ATOM 0 H ASP 1 66 -7.988 -21.313 12.115 1.00 0.00 H new ATOM 0 HA ASP 1 66 -8.926 -18.641 11.851 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.009 -20.443 12.011 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -10.732 -20.087 13.705 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.139 -18.864 13.659 1.00 0.00 N ATOM 916 CA TRP 1 67 -6.289 -18.691 14.832 1.00 0.00 C ATOM 917 C TRP 1 67 -6.014 -17.213 15.067 1.00 0.00 C ATOM 918 O TRP 1 67 -6.499 -16.618 16.030 1.00 0.00 O ATOM 919 CB TRP 1 67 -4.967 -19.445 14.639 1.00 0.00 C ATOM 920 CG TRP 1 67 -4.800 -20.012 13.263 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -4.591 -19.316 12.108 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -4.841 -21.392 12.898 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -4.500 -20.181 11.048 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -4.649 -21.461 11.508 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.020 -22.575 13.615 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -4.632 -22.668 10.819 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.003 -23.776 12.931 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -4.809 -23.815 11.544 1.00 0.00 C ATOM 0 H TRP 1 67 -6.741 -18.494 12.795 1.00 0.00 H new ATOM 0 HA TRP 1 67 -6.805 -19.096 15.702 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -4.138 -18.769 14.848 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -4.910 -20.254 15.367 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -4.509 -18.241 12.039 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.346 -19.914 10.076 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -5.169 -22.553 14.684 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -4.484 -22.699 9.750 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -5.141 -24.699 13.474 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -4.799 -24.769 11.037 1.00 0.00 H new ATOM 939 N ASN 1 68 -5.244 -16.631 14.162 1.00 0.00 N ATOM 940 CA ASN 1 68 -4.899 -15.216 14.230 1.00 0.00 C ATOM 941 C ASN 1 68 -5.478 -14.480 13.027 1.00 0.00 C ATOM 942 O ASN 1 68 -5.928 -13.339 13.138 1.00 0.00 O ATOM 943 CB ASN 1 68 -3.379 -15.027 14.273 1.00 0.00 C ATOM 944 CG ASN 1 68 -2.672 -16.117 15.055 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -2.297 -15.924 16.212 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -2.487 -17.272 14.426 1.00 0.00 N ATOM 0 H ASN 1 68 -4.841 -17.121 13.363 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.324 -14.803 15.145 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -2.991 -15.007 13.255 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.150 -14.059 14.720 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.018 -18.043 14.902 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -2.814 -17.388 13.467 1.00 0.00 H new ATOM 953 N ASP 1 69 -5.472 -15.152 11.877 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.005 -14.580 10.646 1.00 0.00 C ATOM 955 C ASP 1 69 -5.230 -13.340 10.226 1.00 0.00 C ATOM 956 O ASP 1 69 -4.783 -12.560 11.066 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.475 -14.217 10.826 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.406 -15.354 10.453 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.165 -16.492 10.909 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.375 -15.107 9.706 1.00 0.00 O ATOM 0 H ASP 1 69 -5.102 -16.097 11.774 1.00 0.00 H new ATOM 0 HA ASP 1 69 -5.903 -15.333 9.864 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.651 -13.934 11.864 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -7.708 -13.346 10.214 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.089 -13.156 8.919 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.383 -12.000 8.387 1.00 0.00 C ATOM 967 C ASP 1 70 -5.298 -10.786 8.377 1.00 0.00 C ATOM 968 O ASP 1 70 -6.415 -10.846 7.862 1.00 0.00 O ATOM 969 CB ASP 1 70 -3.878 -12.287 6.975 1.00 0.00 C ATOM 970 CG ASP 1 70 -2.855 -11.274 6.511 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.132 -10.062 6.620 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -1.777 -11.692 6.039 1.00 0.00 O ATOM 0 H ASP 1 70 -5.454 -13.792 8.210 1.00 0.00 H new ATOM 0 HA ASP 1 70 -3.526 -11.792 9.028 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.438 -13.284 6.945 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -4.721 -12.290 6.284 1.00 0.00 H new ATOM 977 N TYR 1 71 -4.836 -9.689 8.968 1.00 0.00 N ATOM 978 CA TYR 1 71 -5.650 -8.487 9.039 1.00 0.00 C ATOM 979 C TYR 1 71 -4.868 -7.216 8.763 1.00 0.00 C ATOM 980 O TYR 1 71 -3.698 -7.091 9.125 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.292 -8.390 10.413 1.00 0.00 C ATOM 982 CG TYR 1 71 -7.517 -9.245 10.536 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -8.709 -8.837 9.974 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -7.480 -10.457 11.204 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -9.844 -9.609 10.069 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -8.607 -11.243 11.307 1.00 0.00 C ATOM 987 CZ TYR 1 71 -9.791 -10.816 10.737 1.00 0.00 C ATOM 988 OH TYR 1 71 -10.921 -11.595 10.837 1.00 0.00 O ATOM 0 H TYR 1 71 -3.915 -9.610 9.399 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.406 -8.573 8.259 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -5.567 -8.688 11.171 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -6.556 -7.352 10.615 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -8.752 -7.894 9.450 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -6.555 -10.791 11.651 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -10.769 -9.273 9.624 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -8.565 -12.187 11.830 1.00 0.00 H new ATOM 0 HH TYR 1 71 -10.712 -12.412 11.337 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.548 -6.267 8.135 1.00 0.00 N ATOM 999 CA CYS 1 72 -4.956 -4.979 7.815 1.00 0.00 C ATOM 1000 C CYS 1 72 -4.741 -4.164 9.084 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.335 -4.452 10.124 1.00 0.00 O ATOM 1002 CB CYS 1 72 -5.857 -4.211 6.850 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.019 -2.845 5.988 1.00 0.00 S ATOM 0 H CYS 1 72 -6.518 -6.368 7.836 1.00 0.00 H new ATOM 0 HA CYS 1 72 -3.990 -5.150 7.340 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.255 -4.905 6.110 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -6.708 -3.812 7.402 1.00 0.00 H new ATOM 1008 N THR 1 73 -3.890 -3.149 8.997 1.00 0.00 N ATOM 1009 CA THR 1 73 -3.600 -2.299 10.146 1.00 0.00 C ATOM 1010 C THR 1 73 -3.921 -0.833 9.850 1.00 0.00 C ATOM 1011 O THR 1 73 -3.593 0.053 10.639 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.131 -2.441 10.548 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.303 -1.659 9.707 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -1.631 -3.869 10.487 1.00 0.00 C ATOM 0 H THR 1 73 -3.390 -2.895 8.145 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.234 -2.624 10.971 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.079 -2.098 11.581 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.368 -1.762 9.981 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -0.583 -3.900 10.784 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.219 -4.489 11.164 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -1.731 -4.246 9.469 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.564 -0.583 8.710 1.00 0.00 N ATOM 1023 CA GLY 1 74 -4.917 0.775 8.335 1.00 0.00 C ATOM 1024 C GLY 1 74 -3.737 1.726 8.393 1.00 0.00 C ATOM 1025 O GLY 1 74 -3.912 2.933 8.564 1.00 0.00 O ATOM 0 H GLY 1 74 -4.846 -1.298 8.040 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.327 0.773 7.325 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -5.703 1.137 8.998 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.531 1.183 8.256 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.321 1.996 8.302 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.431 1.757 7.082 1.00 0.00 C ATOM 1032 O LYS 1 75 0.406 2.595 6.748 1.00 0.00 O ATOM 1033 CB LYS 1 75 -0.536 1.700 9.581 1.00 0.00 C ATOM 1034 CG LYS 1 75 -1.293 2.050 10.853 1.00 0.00 C ATOM 1035 CD LYS 1 75 -0.438 2.871 11.805 1.00 0.00 C ATOM 1036 CE LYS 1 75 -0.947 2.776 13.234 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -0.600 1.471 13.862 1.00 0.00 N ATOM 0 H LYS 1 75 -2.366 0.187 8.113 1.00 0.00 H new ATOM 0 HA LYS 1 75 -1.627 3.042 8.294 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.277 0.642 9.602 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 0.401 2.257 9.560 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -2.194 2.608 10.599 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -1.615 1.134 11.349 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 0.594 2.523 11.761 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -0.436 3.914 11.487 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -0.523 3.587 13.825 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -2.029 2.907 13.243 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -0.812 1.508 14.880 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -1.159 0.713 13.420 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 0.413 1.279 13.726 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.604 0.614 6.423 1.00 0.00 N ATOM 1052 CA SER 1 76 0.202 0.289 5.250 1.00 0.00 C ATOM 1053 C SER 1 76 -0.579 -0.560 4.253 1.00 0.00 C ATOM 1054 O SER 1 76 -1.697 -0.995 4.528 1.00 0.00 O ATOM 1055 CB SER 1 76 1.474 -0.448 5.673 1.00 0.00 C ATOM 1056 OG SER 1 76 2.442 0.455 6.179 1.00 0.00 O ATOM 0 H SER 1 76 -1.289 -0.097 6.679 1.00 0.00 H new ATOM 0 HA SER 1 76 0.469 1.226 4.761 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.232 -1.190 6.433 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.886 -0.988 4.820 1.00 0.00 H new ATOM 0 HG SER 1 76 2.026 1.329 6.330 1.00 0.00 H new ATOM 1062 N SER 1 77 0.030 -0.796 3.093 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.588 -1.599 2.042 1.00 0.00 C ATOM 1064 C SER 1 77 -0.291 -3.084 2.240 1.00 0.00 C ATOM 1065 O SER 1 77 -0.526 -3.895 1.345 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.086 -1.147 0.668 1.00 0.00 C ATOM 1067 OG SER 1 77 -1.167 -0.817 -0.187 1.00 0.00 O ATOM 0 H SER 1 77 0.956 -0.440 2.857 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.667 -1.454 2.097 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.568 -0.283 0.783 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.510 -1.940 0.216 1.00 0.00 H new ATOM 0 HG SER 1 77 -0.828 -0.638 -1.089 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.235 -3.435 3.412 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.569 -4.823 3.710 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.331 -5.391 4.803 1.00 0.00 C ATOM 1076 O ASP 1 78 -0.439 -4.826 5.891 1.00 0.00 O ATOM 1077 CB ASP 1 78 2.034 -4.934 4.135 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.982 -4.924 2.951 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.605 -4.377 1.894 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 4.101 -5.463 3.082 1.00 0.00 O ATOM 0 H ASP 1 78 0.438 -2.779 4.167 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.409 -5.405 2.802 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.280 -4.107 4.801 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 2.176 -5.853 4.703 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.966 -6.519 4.503 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.850 -7.182 5.454 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.132 -8.366 6.106 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.000 -9.426 5.498 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.122 -7.658 4.747 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.650 -6.929 5.418 1.00 0.00 S ATOM 0 H CYS 1 79 -0.884 -6.995 3.604 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.127 -6.470 6.232 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.050 -7.416 3.687 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.184 -8.744 4.823 1.00 0.00 H new ATOM 1095 N PRO 1 80 -0.641 -8.197 7.347 1.00 0.00 N ATOM 1096 CA PRO 1 80 0.083 -9.256 8.067 1.00 0.00 C ATOM 1097 C PRO 1 80 -0.812 -10.417 8.501 1.00 0.00 C ATOM 1098 O PRO 1 80 -1.920 -10.212 8.997 1.00 0.00 O ATOM 1099 CB PRO 1 80 0.639 -8.530 9.294 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.290 -7.387 9.510 1.00 0.00 C ATOM 1101 CD PRO 1 80 -0.736 -6.957 8.142 1.00 0.00 C ATOM 0 HA PRO 1 80 0.841 -9.718 7.434 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 0.668 -9.187 10.163 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.658 -8.185 9.122 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.141 -7.685 10.123 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 0.209 -6.571 10.033 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -1.753 -6.565 8.155 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.097 -6.171 7.739 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.310 -11.641 8.318 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.048 -12.853 8.698 1.00 0.00 C ATOM 1111 C TRP 1 81 -1.555 -12.763 10.131 1.00 0.00 C ATOM 1112 O TRP 1 81 -2.528 -13.418 10.501 1.00 0.00 O ATOM 1113 CB TRP 1 81 -0.170 -14.111 8.593 1.00 0.00 C ATOM 1114 CG TRP 1 81 1.064 -13.957 7.763 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 2.268 -13.445 8.155 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 1.213 -14.336 6.399 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 3.155 -13.481 7.106 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 2.528 -14.026 6.017 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 0.354 -14.908 5.467 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 3.004 -14.273 4.735 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 0.823 -15.155 4.192 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 2.141 -14.838 3.835 1.00 0.00 C ATOM 0 H TRP 1 81 0.606 -11.821 7.908 1.00 0.00 H new ATOM 0 HA TRP 1 81 -1.885 -12.928 8.004 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 0.123 -14.416 9.598 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -0.770 -14.920 8.177 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 2.490 -13.068 9.142 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 4.121 -13.155 7.134 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -0.662 -15.155 5.736 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 4.019 -14.028 4.458 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 0.165 -15.599 3.459 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 2.482 -15.043 2.831 1.00 0.00 H new ATOM 1133 N ASN 1 82 -0.855 -11.978 10.936 1.00 0.00 N ATOM 1134 CA ASN 1 82 -1.181 -11.817 12.350 1.00 0.00 C ATOM 1135 C ASN 1 82 -0.626 -12.997 13.142 1.00 0.00 C ATOM 1136 O ASN 1 82 -1.129 -13.335 14.214 1.00 0.00 O ATOM 1137 CB ASN 1 82 -2.694 -11.707 12.559 1.00 0.00 C ATOM 1138 CG ASN 1 82 -3.050 -11.032 13.869 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -2.782 -11.562 14.947 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -3.658 -9.855 13.781 1.00 0.00 N ATOM 0 H ASN 1 82 -0.047 -11.435 10.631 1.00 0.00 H new ATOM 0 HA ASN 1 82 -0.725 -10.893 12.706 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.132 -11.146 11.734 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.134 -12.704 12.536 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -3.922 -9.353 14.629 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.861 -9.453 12.866 1.00 0.00 H new ATOM 1147 N HIS 1 83 0.414 -13.623 12.593 1.00 0.00 N ATOM 1148 CA HIS 1 83 1.048 -14.773 13.223 1.00 0.00 C ATOM 1149 C HIS 1 83 2.291 -14.355 14.002 1.00 0.00 C ATOM 1150 O HIS 1 83 2.954 -13.384 13.580 1.00 0.00 O ATOM 1151 CB HIS 1 83 1.417 -15.807 12.157 1.00 0.00 C ATOM 1152 CG HIS 1 83 0.242 -16.268 11.353 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 0.336 -16.668 10.037 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -1.065 -16.381 11.686 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -0.863 -17.004 9.595 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -1.730 -16.840 10.576 1.00 0.00 N ATOM 1157 OXT HIS 1 83 2.592 -15.002 15.027 1.00 0.00 O ATOM 0 H HIS 1 83 0.836 -13.348 11.706 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.342 -15.214 13.926 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 2.162 -15.379 11.487 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 1.880 -16.668 12.640 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -1.503 -16.153 12.646 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -1.094 -17.354 8.600 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -2.732 -17.024 10.519 1.00 0.00 H new TER 1166 HIS 1 83