USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=18 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 :FLIP amide:sc= -0.726 F(o=-11!,f=-9) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -8.23! C(o=-11!,f=-9!) USER MOD Set 2.1: 1 37 THR OG1 : rot -8:sc= -0.332 USER MOD Set 2.2: 1 40 SER OG : rot 20:sc= 1.58 USER MOD Single : 1 1 SER N :NH3+ -157:sc= 0 (180deg=-0.221) USER MOD Single : 1 1 SER OG : rot 180:sc= 0 USER MOD Single : 1 7 ASN : amide:sc= 0.291 K(o=0.29,f=-2.3!) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -2.65 K(o=-2.6,f=-7.3!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc=-0.00625 X(o=-0.0062,f=0) USER MOD Single : 1 25 GLN : amide:sc= -0.0155 X(o=-0.015,f=0) USER MOD Single : 1 30 ASN :FLIP amide:sc= -1.69 F(o=-6.3!,f=-1.7) 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 41 GLN : amide:sc= -0.0914 X(o=-0.091,f=0) USER MOD Single : 1 43 ASN : amide:sc= -0.646 K(o=-0.65,f=-8.6!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.0529 X(o=-0.053,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ -143:sc= -0.488 (180deg=-3.15!) USER MOD Single : 1 55 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00136) USER MOD Single : 1 58 THR OG1 : rot 74:sc= 0.792 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ 143:sc= -1.07 (180deg=-2.69!) USER MOD Single : 1 76 SER OG : rot 180:sc= -0.0169 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 16.421 -2.367 -12.302 1.00 0.00 N ATOM 2 CA SER 1 1 15.320 -1.426 -11.970 1.00 0.00 C ATOM 3 C SER 1 1 15.799 -0.328 -11.024 1.00 0.00 C ATOM 4 O SER 1 1 15.609 -0.416 -9.811 1.00 0.00 O ATOM 5 CB SER 1 1 14.180 -2.217 -11.327 1.00 0.00 C ATOM 6 OG SER 1 1 12.961 -1.499 -11.390 1.00 0.00 O ATOM 0 H1 SER 1 1 16.211 -2.844 -13.202 1.00 0.00 H new ATOM 0 H2 SER 1 1 17.313 -1.840 -12.390 1.00 0.00 H new ATOM 0 H3 SER 1 1 16.511 -3.076 -11.547 1.00 0.00 H new ATOM 0 HA SER 1 1 14.974 -0.943 -12.884 1.00 0.00 H new ATOM 0 HB2 SER 1 1 14.067 -3.175 -11.834 1.00 0.00 H new ATOM 0 HB3 SER 1 1 14.425 -2.433 -10.287 1.00 0.00 H new ATOM 0 HG SER 1 1 12.248 -2.027 -10.974 1.00 0.00 H new ATOM 14 N PRO 1 2 16.429 0.727 -11.570 1.00 0.00 N ATOM 15 CA PRO 1 2 16.936 1.847 -10.769 1.00 0.00 C ATOM 16 C PRO 1 2 15.878 2.407 -9.818 1.00 0.00 C ATOM 17 O PRO 1 2 14.956 3.100 -10.246 1.00 0.00 O ATOM 18 CB PRO 1 2 17.313 2.891 -11.821 1.00 0.00 C ATOM 19 CG PRO 1 2 17.615 2.101 -13.046 1.00 0.00 C ATOM 20 CD PRO 1 2 16.695 0.912 -13.010 1.00 0.00 C ATOM 0 HA PRO 1 2 17.765 1.548 -10.128 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 16.497 3.592 -11.993 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 18.176 3.478 -11.505 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 17.449 2.696 -13.944 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 18.659 1.787 -13.060 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 15.777 1.098 -13.567 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 17.161 0.030 -13.449 1.00 0.00 H new ATOM 28 N PRO 1 3 15.998 2.115 -8.510 1.00 0.00 N ATOM 29 CA PRO 1 3 15.045 2.598 -7.504 1.00 0.00 C ATOM 30 C PRO 1 3 15.138 4.107 -7.296 1.00 0.00 C ATOM 31 O PRO 1 3 15.498 4.580 -6.219 1.00 0.00 O ATOM 32 CB PRO 1 3 15.459 1.846 -6.238 1.00 0.00 C ATOM 33 CG PRO 1 3 16.902 1.540 -6.435 1.00 0.00 C ATOM 34 CD PRO 1 3 17.069 1.297 -7.908 1.00 0.00 C ATOM 0 HA PRO 1 3 14.010 2.421 -7.798 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.301 2.454 -5.347 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.875 0.935 -6.110 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 17.527 2.369 -6.102 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 17.199 0.664 -5.858 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 18.055 1.604 -8.257 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.957 0.242 -8.157 1.00 0.00 H new ATOM 42 N VAL 1 4 14.814 4.854 -8.345 1.00 0.00 N ATOM 43 CA VAL 1 4 14.854 6.313 -8.305 1.00 0.00 C ATOM 44 C VAL 1 4 13.484 6.912 -8.595 1.00 0.00 C ATOM 45 O VAL 1 4 12.679 6.318 -9.312 1.00 0.00 O ATOM 46 CB VAL 1 4 15.877 6.887 -9.308 1.00 0.00 C ATOM 47 CG1 VAL 1 4 17.259 6.961 -8.677 1.00 0.00 C ATOM 48 CG2 VAL 1 4 15.912 6.061 -10.585 1.00 0.00 C ATOM 0 H VAL 1 4 14.518 4.470 -9.242 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.161 6.585 -7.295 1.00 0.00 H new ATOM 0 HB VAL 1 4 15.564 7.897 -9.571 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 17.967 7.368 -9.399 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 17.224 7.606 -7.799 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 17.577 5.962 -8.380 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 16.641 6.487 -11.274 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 16.194 5.035 -10.347 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 14.926 6.068 -11.050 1.00 0.00 H new ATOM 58 N CYS 1 5 13.228 8.098 -8.051 1.00 0.00 N ATOM 59 CA CYS 1 5 11.956 8.770 -8.279 1.00 0.00 C ATOM 60 C CYS 1 5 11.999 9.425 -9.648 1.00 0.00 C ATOM 61 O CYS 1 5 12.441 10.563 -9.805 1.00 0.00 O ATOM 62 CB CYS 1 5 11.689 9.816 -7.192 1.00 0.00 C ATOM 63 SG CYS 1 5 10.157 9.533 -6.245 1.00 0.00 S ATOM 0 H CYS 1 5 13.879 8.609 -7.455 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.145 8.042 -8.239 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.532 9.830 -6.502 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 11.640 10.801 -7.656 1.00 0.00 H new ATOM 68 N GLY 1 6 11.568 8.660 -10.637 1.00 0.00 N ATOM 69 CA GLY 1 6 11.583 9.112 -12.009 1.00 0.00 C ATOM 70 C GLY 1 6 11.973 7.981 -12.941 1.00 0.00 C ATOM 71 O GLY 1 6 12.546 8.203 -14.008 1.00 0.00 O ATOM 0 H GLY 1 6 11.202 7.717 -10.509 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.599 9.493 -12.283 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 12.286 9.938 -12.117 1.00 0.00 H new ATOM 75 N ASN 1 7 11.656 6.760 -12.516 1.00 0.00 N ATOM 76 CA ASN 1 7 11.955 5.556 -13.274 1.00 0.00 C ATOM 77 C ASN 1 7 10.722 4.665 -13.321 1.00 0.00 C ATOM 78 O ASN 1 7 10.806 3.482 -13.649 1.00 0.00 O ATOM 79 CB ASN 1 7 13.115 4.803 -12.613 1.00 0.00 C ATOM 80 CG ASN 1 7 13.939 4.010 -13.610 1.00 0.00 C ATOM 81 OD1 ASN 1 7 15.150 4.204 -13.724 1.00 0.00 O ATOM 82 ND2 ASN 1 7 13.288 3.111 -14.339 1.00 0.00 N ATOM 0 H ASN 1 7 11.182 6.581 -11.631 1.00 0.00 H new ATOM 0 HA ASN 1 7 12.240 5.830 -14.290 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 13.760 5.516 -12.099 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 12.720 4.127 -11.855 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 13.792 2.549 -15.025 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 12.284 2.982 -14.213 1.00 0.00 H new ATOM 89 N LYS 1 8 9.580 5.247 -12.959 1.00 0.00 N ATOM 90 CA LYS 1 8 8.316 4.530 -12.920 1.00 0.00 C ATOM 91 C LYS 1 8 8.300 3.537 -11.760 1.00 0.00 C ATOM 92 O LYS 1 8 7.408 2.695 -11.656 1.00 0.00 O ATOM 93 CB LYS 1 8 8.039 3.823 -14.250 1.00 0.00 C ATOM 94 CG LYS 1 8 7.801 4.784 -15.405 1.00 0.00 C ATOM 95 CD LYS 1 8 6.769 4.239 -16.379 1.00 0.00 C ATOM 96 CE LYS 1 8 7.358 3.150 -17.262 1.00 0.00 C ATOM 97 NZ LYS 1 8 6.703 3.105 -18.598 1.00 0.00 N ATOM 0 H LYS 1 8 9.510 6.227 -12.686 1.00 0.00 H new ATOM 0 HA LYS 1 8 7.519 5.257 -12.761 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 8.883 3.177 -14.492 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 7.167 3.179 -14.136 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 7.464 5.745 -15.017 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 8.739 4.963 -15.930 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 5.919 3.840 -15.825 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 6.391 5.050 -17.002 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 8.427 3.323 -17.387 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 7.247 2.184 -16.770 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 7.132 2.350 -19.170 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 5.687 2.915 -18.480 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 6.831 4.018 -19.078 1.00 0.00 H new ATOM 111 N ILE 1 9 9.285 3.671 -10.875 1.00 0.00 N ATOM 112 CA ILE 1 9 9.396 2.827 -9.698 1.00 0.00 C ATOM 113 C ILE 1 9 9.092 3.657 -8.464 1.00 0.00 C ATOM 114 O ILE 1 9 9.313 4.868 -8.460 1.00 0.00 O ATOM 115 CB ILE 1 9 10.808 2.216 -9.554 1.00 0.00 C ATOM 116 CG1 ILE 1 9 11.124 1.307 -10.743 1.00 0.00 C ATOM 117 CG2 ILE 1 9 10.926 1.441 -8.247 1.00 0.00 C ATOM 118 CD1 ILE 1 9 12.386 1.694 -11.481 1.00 0.00 C ATOM 0 H ILE 1 9 10.025 4.368 -10.957 1.00 0.00 H new ATOM 0 HA ILE 1 9 8.684 2.009 -9.805 1.00 0.00 H new ATOM 0 HB ILE 1 9 11.533 3.030 -9.539 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 11.220 0.280 -10.390 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 10.285 1.328 -11.439 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 11.927 1.018 -8.164 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 10.745 2.113 -7.408 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 10.190 0.637 -8.233 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.547 1.006 -12.311 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.286 2.709 -11.865 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 13.235 1.646 -10.800 1.00 0.00 H new ATOM 130 N LEU 1 10 8.588 3.021 -7.420 1.00 0.00 N ATOM 131 CA LEU 1 10 8.268 3.734 -6.192 1.00 0.00 C ATOM 132 C LEU 1 10 9.537 4.144 -5.468 1.00 0.00 C ATOM 133 O LEU 1 10 9.667 3.927 -4.263 1.00 0.00 O ATOM 134 CB LEU 1 10 7.424 2.864 -5.273 1.00 0.00 C ATOM 135 CG LEU 1 10 6.039 2.527 -5.799 1.00 0.00 C ATOM 136 CD1 LEU 1 10 6.132 1.419 -6.833 1.00 0.00 C ATOM 137 CD2 LEU 1 10 5.133 2.130 -4.648 1.00 0.00 C ATOM 0 H LEU 1 10 8.392 2.020 -7.396 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.703 4.627 -6.460 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 7.961 1.934 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 7.318 3.371 -4.314 1.00 0.00 H new ATOM 0 HG LEU 1 10 5.610 3.405 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 5.135 1.184 -7.205 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 6.760 1.746 -7.661 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 6.568 0.531 -6.376 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 4.141 1.890 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 5.548 1.258 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 5.058 2.957 -3.942 1.00 0.00 H new ATOM 149 N GLU 1 11 10.476 4.732 -6.207 1.00 0.00 N ATOM 150 CA GLU 1 11 11.738 5.163 -5.635 1.00 0.00 C ATOM 151 C GLU 1 11 12.198 4.182 -4.563 1.00 0.00 C ATOM 152 O GLU 1 11 12.076 4.447 -3.367 1.00 0.00 O ATOM 153 CB GLU 1 11 11.594 6.559 -5.047 1.00 0.00 C ATOM 154 CG GLU 1 11 12.774 6.959 -4.186 1.00 0.00 C ATOM 155 CD GLU 1 11 13.039 8.451 -4.195 1.00 0.00 C ATOM 156 OE1 GLU 1 11 12.413 9.171 -3.389 1.00 0.00 O ATOM 157 OE2 GLU 1 11 13.877 8.900 -5.006 1.00 0.00 O ATOM 0 H GLU 1 11 10.381 4.919 -7.205 1.00 0.00 H new ATOM 0 HA GLU 1 11 12.490 5.189 -6.424 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.481 7.279 -5.857 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 10.683 6.605 -4.450 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 12.595 6.634 -3.161 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 13.664 6.436 -4.535 1.00 0.00 H new ATOM 164 N GLN 1 12 12.703 3.041 -5.003 1.00 0.00 N ATOM 165 CA GLN 1 12 13.160 2.001 -4.084 1.00 0.00 C ATOM 166 C GLN 1 12 11.983 1.427 -3.296 1.00 0.00 C ATOM 167 O GLN 1 12 11.494 0.337 -3.592 1.00 0.00 O ATOM 168 CB GLN 1 12 14.242 2.510 -3.106 1.00 0.00 C ATOM 169 CG GLN 1 12 14.955 3.794 -3.519 1.00 0.00 C ATOM 170 CD GLN 1 12 14.978 4.832 -2.412 1.00 0.00 C ATOM 171 OE1 GLN 1 12 14.826 6.027 -2.663 1.00 0.00 O ATOM 172 NE2 GLN 1 12 15.173 4.379 -1.179 1.00 0.00 N ATOM 0 H GLN 1 12 12.809 2.808 -5.990 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.610 1.218 -4.695 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.779 2.670 -2.132 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 14.989 1.726 -2.979 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 15.978 3.559 -3.812 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 14.461 4.214 -4.395 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 15.294 3.379 -1.016 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 15.201 5.031 -0.395 1.00 0.00 H new ATOM 181 N GLY 1 13 11.535 2.176 -2.297 1.00 0.00 N ATOM 182 CA GLY 1 13 10.416 1.754 -1.472 1.00 0.00 C ATOM 183 C GLY 1 13 9.702 2.948 -0.876 1.00 0.00 C ATOM 184 O GLY 1 13 9.248 2.917 0.267 1.00 0.00 O ATOM 0 H GLY 1 13 11.932 3.080 -2.040 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 9.718 1.170 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 10.773 1.103 -0.674 1.00 0.00 H new ATOM 188 N GLU 1 14 9.633 4.010 -1.667 1.00 0.00 N ATOM 189 CA GLU 1 14 9.007 5.259 -1.258 1.00 0.00 C ATOM 190 C GLU 1 14 7.497 5.117 -1.077 1.00 0.00 C ATOM 191 O GLU 1 14 6.927 5.661 -0.132 1.00 0.00 O ATOM 192 CB GLU 1 14 9.321 6.323 -2.301 1.00 0.00 C ATOM 193 CG GLU 1 14 10.539 7.158 -1.956 1.00 0.00 C ATOM 194 CD GLU 1 14 10.274 8.145 -0.835 1.00 0.00 C ATOM 195 OE1 GLU 1 14 9.331 7.912 -0.050 1.00 0.00 O ATOM 196 OE2 GLU 1 14 11.010 9.150 -0.743 1.00 0.00 O ATOM 0 H GLU 1 14 10.011 4.029 -2.614 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.411 5.548 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 9.481 5.841 -3.265 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.458 6.980 -2.412 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 11.357 6.498 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.865 7.701 -2.843 1.00 0.00 H new ATOM 203 N ASP 1 15 6.860 4.398 -1.999 1.00 0.00 N ATOM 204 CA ASP 1 15 5.410 4.180 -1.977 1.00 0.00 C ATOM 205 C ASP 1 15 4.710 5.236 -2.816 1.00 0.00 C ATOM 206 O ASP 1 15 3.628 5.714 -2.475 1.00 0.00 O ATOM 207 CB ASP 1 15 4.858 4.190 -0.547 1.00 0.00 C ATOM 208 CG ASP 1 15 3.641 3.299 -0.391 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.821 2.075 -0.215 1.00 0.00 O ATOM 210 OD2 ASP 1 15 2.509 3.824 -0.443 1.00 0.00 O ATOM 0 H ASP 1 15 7.332 3.949 -2.784 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.215 3.195 -2.401 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 5.636 3.862 0.142 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 4.596 5.211 -0.269 1.00 0.00 H new ATOM 215 N CYS 1 16 5.348 5.579 -3.925 1.00 0.00 N ATOM 216 CA CYS 1 16 4.824 6.565 -4.856 1.00 0.00 C ATOM 217 C CYS 1 16 5.693 6.603 -6.102 1.00 0.00 C ATOM 218 O CYS 1 16 6.709 7.297 -6.141 1.00 0.00 O ATOM 219 CB CYS 1 16 4.781 7.941 -4.213 1.00 0.00 C ATOM 220 SG CYS 1 16 4.112 9.239 -5.298 1.00 0.00 S ATOM 0 H CYS 1 16 6.244 5.181 -4.204 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.808 6.281 -5.130 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 4.176 7.890 -3.308 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 5.789 8.220 -3.907 1.00 0.00 H new ATOM 225 N ASP 1 17 5.307 5.831 -7.106 1.00 0.00 N ATOM 226 CA ASP 1 17 6.074 5.755 -8.338 1.00 0.00 C ATOM 227 C ASP 1 17 5.451 6.582 -9.457 1.00 0.00 C ATOM 228 O ASP 1 17 4.263 6.458 -9.754 1.00 0.00 O ATOM 229 CB ASP 1 17 6.208 4.295 -8.767 1.00 0.00 C ATOM 230 CG ASP 1 17 4.904 3.711 -9.275 1.00 0.00 C ATOM 231 OD1 ASP 1 17 4.074 3.295 -8.439 1.00 0.00 O ATOM 232 OD2 ASP 1 17 4.712 3.670 -10.509 1.00 0.00 O ATOM 0 H ASP 1 17 4.469 5.250 -7.091 1.00 0.00 H new ATOM 0 HA ASP 1 17 7.061 6.175 -8.144 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 6.964 4.218 -9.548 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 6.561 3.704 -7.922 1.00 0.00 H new ATOM 237 N CYS 1 18 6.278 7.413 -10.080 1.00 0.00 N ATOM 238 CA CYS 1 18 5.845 8.261 -11.181 1.00 0.00 C ATOM 239 C CYS 1 18 7.050 8.688 -12.014 1.00 0.00 C ATOM 240 O CYS 1 18 8.025 9.218 -11.482 1.00 0.00 O ATOM 241 CB CYS 1 18 5.113 9.496 -10.648 1.00 0.00 C ATOM 242 SG CYS 1 18 3.382 9.197 -10.164 1.00 0.00 S ATOM 0 H CYS 1 18 7.263 7.517 -9.837 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.159 7.694 -11.810 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.657 9.881 -9.786 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 5.135 10.273 -11.412 1.00 0.00 H new ATOM 247 N GLY 1 19 6.981 8.453 -13.320 1.00 0.00 N ATOM 248 CA GLY 1 19 8.079 8.819 -14.200 1.00 0.00 C ATOM 249 C GLY 1 19 8.472 10.275 -14.058 1.00 0.00 C ATOM 250 O GLY 1 19 9.650 10.598 -13.904 1.00 0.00 O ATOM 0 H GLY 1 19 6.186 8.016 -13.786 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.942 8.190 -13.981 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.794 8.621 -15.233 1.00 0.00 H new ATOM 254 N SER 1 20 7.480 11.154 -14.105 1.00 0.00 N ATOM 255 CA SER 1 20 7.719 12.587 -13.975 1.00 0.00 C ATOM 256 C SER 1 20 6.652 13.233 -13.094 1.00 0.00 C ATOM 257 O SER 1 20 5.478 12.875 -13.172 1.00 0.00 O ATOM 258 CB SER 1 20 7.732 13.251 -15.353 1.00 0.00 C ATOM 259 OG SER 1 20 8.409 12.446 -16.302 1.00 0.00 O ATOM 0 H SER 1 20 6.500 10.900 -14.232 1.00 0.00 H new ATOM 0 HA SER 1 20 8.692 12.730 -13.505 1.00 0.00 H new ATOM 0 HB2 SER 1 20 6.709 13.427 -15.685 1.00 0.00 H new ATOM 0 HB3 SER 1 20 8.217 14.225 -15.286 1.00 0.00 H new ATOM 0 HG SER 1 20 8.402 12.892 -17.174 1.00 0.00 H new ATOM 265 N PRO 1 21 7.041 14.198 -12.243 1.00 0.00 N ATOM 266 CA PRO 1 21 6.101 14.887 -11.355 1.00 0.00 C ATOM 267 C PRO 1 21 4.931 15.491 -12.124 1.00 0.00 C ATOM 268 O PRO 1 21 3.831 15.634 -11.589 1.00 0.00 O ATOM 269 CB PRO 1 21 6.945 15.990 -10.699 1.00 0.00 C ATOM 270 CG PRO 1 21 8.201 16.066 -11.501 1.00 0.00 C ATOM 271 CD PRO 1 21 8.413 14.698 -12.080 1.00 0.00 C ATOM 0 HA PRO 1 21 5.653 14.206 -10.632 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 6.417 16.944 -10.706 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.159 15.752 -9.657 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 8.114 16.813 -12.290 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 9.045 16.359 -10.876 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 8.944 14.739 -13.031 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 8.999 14.063 -11.415 1.00 0.00 H new ATOM 279 N ALA 1 22 5.173 15.835 -13.385 1.00 0.00 N ATOM 280 CA ALA 1 22 4.138 16.412 -14.232 1.00 0.00 C ATOM 281 C ALA 1 22 3.308 15.316 -14.890 1.00 0.00 C ATOM 282 O ALA 1 22 2.123 15.501 -15.169 1.00 0.00 O ATOM 283 CB ALA 1 22 4.761 17.313 -15.288 1.00 0.00 C ATOM 0 H ALA 1 22 6.078 15.724 -13.842 1.00 0.00 H new ATOM 0 HA ALA 1 22 3.477 17.013 -13.607 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 3.976 17.737 -15.914 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 5.311 18.118 -14.801 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 5.443 16.730 -15.907 1.00 0.00 H new ATOM 289 N ASN 1 23 3.938 14.169 -15.124 1.00 0.00 N ATOM 290 CA ASN 1 23 3.263 13.031 -15.737 1.00 0.00 C ATOM 291 C ASN 1 23 3.019 11.936 -14.703 1.00 0.00 C ATOM 292 O ASN 1 23 2.848 10.767 -15.049 1.00 0.00 O ATOM 293 CB ASN 1 23 4.093 12.481 -16.898 1.00 0.00 C ATOM 294 CG ASN 1 23 4.124 13.424 -18.084 1.00 0.00 C ATOM 295 OD1 ASN 1 23 3.336 13.290 -19.020 1.00 0.00 O ATOM 296 ND2 ASN 1 23 5.040 14.386 -18.051 1.00 0.00 N ATOM 0 H ASN 1 23 4.919 14.003 -14.897 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.301 13.369 -16.123 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.112 12.297 -16.557 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 3.683 11.521 -17.211 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 5.110 15.050 -18.822 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 5.673 14.460 -17.255 1.00 0.00 H new ATOM 303 N CYS 1 24 3.009 12.327 -13.433 1.00 0.00 N ATOM 304 CA CYS 1 24 2.793 11.395 -12.342 1.00 0.00 C ATOM 305 C CYS 1 24 1.398 10.799 -12.416 1.00 0.00 C ATOM 306 O CYS 1 24 0.452 11.327 -11.834 1.00 0.00 O ATOM 307 CB CYS 1 24 2.995 12.096 -11.000 1.00 0.00 C ATOM 308 SG CYS 1 24 2.735 11.021 -9.549 1.00 0.00 S ATOM 0 H CYS 1 24 3.150 13.293 -13.137 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.519 10.587 -12.431 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 4.007 12.500 -10.962 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.311 12.943 -10.938 1.00 0.00 H new ATOM 313 N GLN 1 25 1.283 9.698 -13.142 1.00 0.00 N ATOM 314 CA GLN 1 25 0.004 9.014 -13.309 1.00 0.00 C ATOM 315 C GLN 1 25 -0.452 8.356 -12.005 1.00 0.00 C ATOM 316 O GLN 1 25 -0.745 7.161 -11.970 1.00 0.00 O ATOM 317 CB GLN 1 25 0.109 7.962 -14.415 1.00 0.00 C ATOM 318 CG GLN 1 25 1.138 6.880 -14.131 1.00 0.00 C ATOM 319 CD GLN 1 25 1.586 6.157 -15.386 1.00 0.00 C ATOM 320 OE1 GLN 1 25 1.294 4.976 -15.573 1.00 0.00 O ATOM 321 NE2 GLN 1 25 2.299 6.865 -16.254 1.00 0.00 N ATOM 0 H GLN 1 25 2.062 9.255 -13.628 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.739 9.760 -13.589 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -0.866 7.496 -14.555 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 0.364 8.457 -15.352 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 2.005 7.327 -13.645 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.717 6.158 -13.431 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 2.518 7.842 -16.058 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 2.628 6.432 -17.117 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.519 9.147 -10.938 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.949 8.652 -9.637 1.00 0.00 C ATOM 332 C ASP 1 26 -1.632 9.764 -8.849 1.00 0.00 C ATOM 333 O ASP 1 26 -0.973 10.577 -8.202 1.00 0.00 O ATOM 334 CB ASP 1 26 0.246 8.105 -8.852 1.00 0.00 C ATOM 335 CG ASP 1 26 -0.049 6.763 -8.211 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -1.167 6.591 -7.682 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.838 5.885 -8.239 1.00 0.00 O ATOM 0 H ASP 1 26 -0.279 10.138 -10.951 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.663 7.843 -9.792 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 1.101 8.005 -9.520 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 0.527 8.820 -8.079 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.958 9.801 -8.919 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.734 10.821 -8.223 1.00 0.00 C ATOM 344 C ARG 1 27 -3.539 10.732 -6.713 1.00 0.00 C ATOM 345 O ARG 1 27 -3.627 11.737 -6.008 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.216 10.681 -8.571 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.848 9.401 -8.049 1.00 0.00 C ATOM 348 CD ARG 1 27 -6.908 8.874 -9.003 1.00 0.00 C ATOM 349 NE ARG 1 27 -6.936 7.414 -9.037 1.00 0.00 N ATOM 350 CZ ARG 1 27 -7.486 6.660 -8.088 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -8.054 7.224 -7.029 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -7.468 5.339 -8.197 1.00 0.00 N ATOM 0 H ARG 1 27 -3.519 9.136 -9.451 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.378 11.798 -8.551 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.758 11.535 -8.165 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.331 10.717 -9.654 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.076 8.644 -7.907 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -6.296 9.587 -7.073 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -7.886 9.248 -8.701 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -6.716 9.256 -10.005 1.00 0.00 H new ATOM 0 HE ARG 1 27 -6.509 6.944 -9.835 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -8.070 8.240 -6.940 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -8.474 6.641 -6.305 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -7.033 4.900 -9.008 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -7.890 4.761 -7.470 1.00 0.00 H new ATOM 366 N CYS 1 28 -3.276 9.527 -6.221 1.00 0.00 N ATOM 367 CA CYS 1 28 -3.072 9.316 -4.793 1.00 0.00 C ATOM 368 C CYS 1 28 -1.588 9.165 -4.468 1.00 0.00 C ATOM 369 O CYS 1 28 -1.219 8.493 -3.504 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.840 8.078 -4.325 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.631 8.348 -4.125 1.00 0.00 S ATOM 0 H CYS 1 28 -3.199 8.683 -6.788 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.451 10.191 -4.265 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.682 7.273 -5.042 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -3.425 7.744 -3.374 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.739 9.793 -5.277 1.00 0.00 N ATOM 377 CA CYS 1 29 0.703 9.724 -5.071 1.00 0.00 C ATOM 378 C CYS 1 29 1.420 10.809 -5.875 1.00 0.00 C ATOM 379 O CYS 1 29 1.189 10.964 -7.074 1.00 0.00 O ATOM 380 CB CYS 1 29 1.215 8.322 -5.446 1.00 0.00 C ATOM 381 SG CYS 1 29 2.741 8.282 -6.450 1.00 0.00 S ATOM 0 H CYS 1 29 -1.025 10.354 -6.079 1.00 0.00 H new ATOM 0 HA CYS 1 29 0.919 9.902 -4.018 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.391 7.761 -4.528 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 0.428 7.801 -5.992 1.00 0.00 H new ATOM 386 N ASN 1 30 2.295 11.552 -5.204 1.00 0.00 N ATOM 387 CA ASN 1 30 3.053 12.618 -5.850 1.00 0.00 C ATOM 388 C ASN 1 30 4.533 12.242 -5.957 1.00 0.00 C ATOM 389 O ASN 1 30 5.169 11.886 -4.959 1.00 0.00 O ATOM 390 CB ASN 1 30 2.886 13.926 -5.068 1.00 0.00 C ATOM 391 CG ASN 1 30 3.866 15.002 -5.499 1.00 0.00 C ATOM 392 OD1 ASN 1 30 4.651 15.497 -4.550 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 3.916 15.382 -6.669 1.00 0.00 N flip ATOM 0 H ASN 1 30 2.497 11.435 -4.211 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.666 12.759 -6.859 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 1.869 14.295 -5.200 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.018 13.727 -4.004 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 3.293 14.973 -7.365 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.581 16.106 -6.942 1.00 0.00 H new ATOM 400 N ALA 1 31 5.072 12.318 -7.174 1.00 0.00 N ATOM 401 CA ALA 1 31 6.471 11.985 -7.416 1.00 0.00 C ATOM 402 C ALA 1 31 7.397 13.014 -6.777 1.00 0.00 C ATOM 403 O ALA 1 31 8.469 12.675 -6.276 1.00 0.00 O ATOM 404 CB ALA 1 31 6.739 11.890 -8.911 1.00 0.00 C ATOM 0 H ALA 1 31 4.559 12.608 -8.006 1.00 0.00 H new ATOM 0 HA ALA 1 31 6.674 11.017 -6.958 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 7.787 11.641 -9.078 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.108 11.114 -9.345 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.514 12.847 -9.382 1.00 0.00 H new ATOM 410 N ALA 1 32 6.973 14.274 -6.799 1.00 0.00 N ATOM 411 CA ALA 1 32 7.760 15.358 -6.222 1.00 0.00 C ATOM 412 C ALA 1 32 8.043 15.112 -4.741 1.00 0.00 C ATOM 413 O ALA 1 32 8.964 15.698 -4.172 1.00 0.00 O ATOM 414 CB ALA 1 32 7.043 16.686 -6.411 1.00 0.00 C ATOM 0 H ALA 1 32 6.088 14.569 -7.211 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.717 15.394 -6.743 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.640 17.487 -5.976 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.902 16.875 -7.475 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.072 16.649 -5.917 1.00 0.00 H new ATOM 420 N THR 1 33 7.254 14.236 -4.126 1.00 0.00 N ATOM 421 CA THR 1 33 7.429 13.906 -2.717 1.00 0.00 C ATOM 422 C THR 1 33 7.813 12.443 -2.563 1.00 0.00 C ATOM 423 O THR 1 33 8.365 12.038 -1.540 1.00 0.00 O ATOM 424 CB THR 1 33 6.142 14.184 -1.935 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.381 14.114 -0.540 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.021 13.215 -2.257 1.00 0.00 C ATOM 0 H THR 1 33 6.487 13.742 -4.582 1.00 0.00 H new ATOM 0 HA THR 1 33 8.227 14.531 -2.317 1.00 0.00 H new ATOM 0 HB THR 1 33 5.832 15.185 -2.236 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.548 14.296 -0.056 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.140 13.470 -1.668 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.779 13.278 -3.318 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.337 12.200 -2.016 1.00 0.00 H new ATOM 434 N CYS 1 34 7.503 11.651 -3.585 1.00 0.00 N ATOM 435 CA CYS 1 34 7.800 10.234 -3.563 1.00 0.00 C ATOM 436 C CYS 1 34 7.010 9.555 -2.456 1.00 0.00 C ATOM 437 O CYS 1 34 7.538 8.732 -1.711 1.00 0.00 O ATOM 438 CB CYS 1 34 9.298 10.007 -3.370 1.00 0.00 C ATOM 439 SG CYS 1 34 10.337 10.780 -4.652 1.00 0.00 S ATOM 0 H CYS 1 34 7.045 11.973 -4.438 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.509 9.798 -4.518 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.591 10.397 -2.395 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.494 8.935 -3.356 1.00 0.00 H new ATOM 444 N LYS 1 35 5.732 9.910 -2.363 1.00 0.00 N ATOM 445 CA LYS 1 35 4.845 9.340 -1.352 1.00 0.00 C ATOM 446 C LYS 1 35 3.385 9.547 -1.744 1.00 0.00 C ATOM 447 O LYS 1 35 3.089 10.201 -2.744 1.00 0.00 O ATOM 448 CB LYS 1 35 5.098 9.981 0.018 1.00 0.00 C ATOM 449 CG LYS 1 35 6.554 9.968 0.453 1.00 0.00 C ATOM 450 CD LYS 1 35 6.714 10.475 1.877 1.00 0.00 C ATOM 451 CE LYS 1 35 6.539 9.354 2.889 1.00 0.00 C ATOM 452 NZ LYS 1 35 7.841 8.738 3.267 1.00 0.00 N ATOM 0 H LYS 1 35 5.286 10.591 -2.977 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.054 8.272 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 4.747 11.013 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 4.502 9.459 0.767 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 6.948 8.954 0.380 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 7.143 10.588 -0.223 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 7.700 10.924 1.996 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 5.982 11.259 2.070 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 6.049 9.744 3.781 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 5.883 8.589 2.474 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 7.678 7.978 3.958 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 8.297 8.343 2.420 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 8.459 9.462 3.687 1.00 0.00 H new ATOM 466 N LEU 1 36 2.477 8.996 -0.947 1.00 0.00 N ATOM 467 CA LEU 1 36 1.050 9.131 -1.211 1.00 0.00 C ATOM 468 C LEU 1 36 0.602 10.575 -1.010 1.00 0.00 C ATOM 469 O LEU 1 36 0.972 11.218 -0.027 1.00 0.00 O ATOM 470 CB LEU 1 36 0.247 8.203 -0.296 1.00 0.00 C ATOM 471 CG LEU 1 36 0.588 6.716 -0.416 1.00 0.00 C ATOM 472 CD1 LEU 1 36 1.576 6.305 0.665 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.676 5.873 -0.334 1.00 0.00 C ATOM 0 H LEU 1 36 2.703 8.452 -0.114 1.00 0.00 H new ATOM 0 HA LEU 1 36 0.867 8.849 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 0.403 8.513 0.737 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.813 8.335 -0.511 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.053 6.546 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 1.806 5.244 0.563 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 2.492 6.887 0.561 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 1.139 6.489 1.646 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.416 4.818 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.168 6.048 0.623 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -1.350 6.149 -1.145 1.00 0.00 H new ATOM 485 N THR 1 37 -0.194 11.082 -1.945 1.00 0.00 N ATOM 486 CA THR 1 37 -0.687 12.453 -1.865 1.00 0.00 C ATOM 487 C THR 1 37 -1.538 12.655 -0.614 1.00 0.00 C ATOM 488 O THR 1 37 -2.033 11.692 -0.028 1.00 0.00 O ATOM 489 CB THR 1 37 -1.502 12.800 -3.112 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.635 11.958 -3.220 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.713 12.677 -4.397 1.00 0.00 C ATOM 0 H THR 1 37 -0.511 10.566 -2.766 1.00 0.00 H new ATOM 0 HA THR 1 37 0.175 13.118 -1.807 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.795 13.842 -2.985 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.580 11.247 -2.548 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -1.351 12.937 -5.242 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.141 13.353 -4.365 1.00 0.00 H new ATOM 0 HG23 THR 1 37 -0.361 11.652 -4.511 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.722 13.916 -0.188 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.520 14.239 0.999 1.00 0.00 C ATOM 501 C PRO 1 38 -3.908 13.610 0.950 1.00 0.00 C ATOM 502 O PRO 1 38 -4.717 13.933 0.080 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.623 15.766 0.957 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.427 16.204 0.185 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.169 15.124 -0.828 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.065 13.856 1.912 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.546 16.088 0.474 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -2.624 16.191 1.961 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -1.607 17.162 -0.303 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.567 16.337 0.841 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.661 15.337 -1.777 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.105 15.016 -1.038 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.178 12.710 1.890 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.469 12.049 1.935 1.00 0.00 C ATOM 515 C GLY 1 39 -5.379 10.577 1.583 1.00 0.00 C ATOM 516 O GLY 1 39 -6.208 9.777 2.016 1.00 0.00 O ATOM 0 H GLY 1 39 -3.526 12.427 2.621 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -5.894 12.155 2.933 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.151 12.544 1.244 1.00 0.00 H new ATOM 520 N SER 1 40 -4.371 10.218 0.795 1.00 0.00 N ATOM 521 CA SER 1 40 -4.176 8.833 0.385 1.00 0.00 C ATOM 522 C SER 1 40 -3.121 8.155 1.252 1.00 0.00 C ATOM 523 O SER 1 40 -1.989 8.627 1.354 1.00 0.00 O ATOM 524 CB SER 1 40 -3.764 8.766 -1.086 1.00 0.00 C ATOM 525 OG SER 1 40 -2.804 9.762 -1.394 1.00 0.00 O ATOM 0 H SER 1 40 -3.676 10.868 0.428 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.121 8.306 0.513 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -3.354 7.781 -1.307 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -4.642 8.895 -1.719 1.00 0.00 H new ATOM 0 HG SER 1 40 -2.376 10.071 -0.568 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.501 7.046 1.877 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.589 6.302 2.737 1.00 0.00 C ATOM 533 C GLN 1 41 -2.179 4.983 2.088 1.00 0.00 C ATOM 534 O GLN 1 41 -1.098 4.459 2.355 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.242 6.033 4.094 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.349 7.268 4.973 1.00 0.00 C ATOM 537 CD GLN 1 41 -2.214 7.372 5.973 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.397 7.125 7.165 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -1.033 7.740 5.491 1.00 0.00 N ATOM 0 H GLN 1 41 -4.435 6.643 1.804 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.694 6.907 2.883 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.240 5.624 3.933 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -2.666 5.271 4.620 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.356 8.158 4.344 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.299 7.248 5.508 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -0.927 7.935 4.495 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -0.232 7.828 6.116 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.050 4.452 1.237 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.778 3.193 0.553 1.00 0.00 C ATOM 550 C CYS 1 42 -3.008 3.315 -0.949 1.00 0.00 C ATOM 551 O CYS 1 42 -4.139 3.222 -1.426 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.649 2.082 1.124 1.00 0.00 C ATOM 553 SG CYS 1 42 -2.778 0.490 1.259 1.00 0.00 S ATOM 0 H CYS 1 42 -3.949 4.873 1.004 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.729 2.946 0.716 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -4.006 2.379 2.110 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.528 1.956 0.492 1.00 0.00 H new ATOM 558 N ASN 1 43 -1.923 3.515 -1.689 1.00 0.00 N ATOM 559 CA ASN 1 43 -1.994 3.640 -3.140 1.00 0.00 C ATOM 560 C ASN 1 43 -1.704 2.304 -3.821 1.00 0.00 C ATOM 561 O ASN 1 43 -1.726 2.205 -5.048 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.002 4.696 -3.632 1.00 0.00 C ATOM 563 CG ASN 1 43 0.388 4.503 -3.056 1.00 0.00 C ATOM 564 OD1 ASN 1 43 0.585 3.729 -2.120 1.00 0.00 O ATOM 565 ND2 ASN 1 43 1.361 5.210 -3.616 1.00 0.00 N ATOM 0 H ASN 1 43 -0.981 3.594 -1.306 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.007 3.949 -3.400 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -0.949 4.660 -4.720 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -1.368 5.687 -3.363 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.317 5.123 -3.272 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.153 5.840 -4.390 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.434 1.278 -3.018 1.00 0.00 N ATOM 573 CA TYR 1 44 -1.140 -0.052 -3.537 1.00 0.00 C ATOM 574 C TYR 1 44 -0.854 -1.007 -2.380 1.00 0.00 C ATOM 575 O TYR 1 44 -0.088 -0.684 -1.473 1.00 0.00 O ATOM 576 CB TYR 1 44 0.045 0.001 -4.513 1.00 0.00 C ATOM 577 CG TYR 1 44 1.361 -0.412 -3.900 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.649 -1.750 -3.679 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.306 0.535 -3.531 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.841 -2.137 -3.109 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.503 0.158 -2.960 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.768 -1.181 -2.750 1.00 0.00 C ATOM 583 OH TYR 1 44 4.961 -1.563 -2.180 1.00 0.00 O ATOM 0 H TYR 1 44 -1.413 1.345 -2.000 1.00 0.00 H new ATOM 0 HA TYR 1 44 -2.007 -0.420 -4.085 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -0.168 -0.647 -5.363 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.138 1.015 -4.901 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.926 -2.502 -3.959 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.101 1.583 -3.694 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.049 -3.184 -2.944 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.230 0.906 -2.678 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.501 -0.768 -1.988 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.490 -2.170 -2.405 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.310 -3.139 -1.341 1.00 0.00 C ATOM 595 C GLY 1 45 -2.628 -3.735 -0.874 1.00 0.00 C ATOM 596 O GLY 1 45 -3.700 -3.230 -1.208 1.00 0.00 O ATOM 0 H GLY 1 45 -2.129 -2.461 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.655 -3.938 -1.688 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.811 -2.661 -0.498 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.543 -4.818 -0.112 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.727 -5.509 0.394 1.00 0.00 C ATOM 602 C GLU 1 46 -4.607 -4.613 1.264 1.00 0.00 C ATOM 603 O GLU 1 46 -5.830 -4.612 1.128 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.295 -6.725 1.210 1.00 0.00 C ATOM 605 CG GLU 1 46 -3.091 -7.980 0.377 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.626 -8.304 0.159 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -0.884 -8.403 1.159 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -1.220 -8.459 -1.012 1.00 0.00 O ATOM 0 H GLU 1 46 -1.660 -5.241 0.172 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.318 -5.809 -0.471 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.367 -6.491 1.731 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.047 -6.925 1.973 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -3.576 -8.822 0.871 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.579 -7.853 -0.589 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.984 -3.883 2.180 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.718 -3.018 3.100 1.00 0.00 C ATOM 617 C CYS 1 47 -5.403 -1.845 2.395 1.00 0.00 C ATOM 618 O CYS 1 47 -6.260 -1.187 2.979 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.770 -2.488 4.173 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.753 -3.465 5.708 1.00 0.00 S ATOM 0 H CYS 1 47 -2.972 -3.871 2.307 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.504 -3.624 3.551 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.760 -2.457 3.765 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.049 -1.462 4.413 1.00 0.00 H new ATOM 625 N CYS 1 48 -5.012 -1.560 1.159 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.588 -0.437 0.427 1.00 0.00 C ATOM 627 C CYS 1 48 -7.053 -0.649 0.071 1.00 0.00 C ATOM 628 O CYS 1 48 -7.514 -1.773 -0.129 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.781 -0.162 -0.837 1.00 0.00 C ATOM 630 SG CYS 1 48 -2.995 -0.295 -0.586 1.00 0.00 S ATOM 0 H CYS 1 48 -4.305 -2.085 0.645 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.543 0.426 1.092 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -5.085 -0.863 -1.614 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -5.017 0.838 -1.200 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.767 0.468 -0.004 1.00 0.00 N ATOM 636 CA ASP 1 49 -9.184 0.485 -0.335 1.00 0.00 C ATOM 637 C ASP 1 49 -9.666 1.930 -0.403 1.00 0.00 C ATOM 638 O ASP 1 49 -9.773 2.606 0.620 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.991 -0.297 0.705 1.00 0.00 C ATOM 640 CG ASP 1 49 -9.887 0.305 2.093 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -8.798 0.219 2.698 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -10.896 0.862 2.575 1.00 0.00 O ATOM 0 H ASP 1 49 -7.374 1.394 0.165 1.00 0.00 H new ATOM 0 HA ASP 1 49 -9.331 0.007 -1.304 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -11.038 -0.325 0.402 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -9.639 -1.328 0.732 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.929 2.410 -1.614 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.371 3.786 -1.805 1.00 0.00 C ATOM 649 C GLN 1 50 -9.252 4.754 -1.430 1.00 0.00 C ATOM 650 O GLN 1 50 -9.502 5.843 -0.913 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.618 4.074 -0.966 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.492 5.181 -1.534 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.724 4.647 -2.238 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -14.853 4.907 -1.821 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -13.513 3.896 -3.313 1.00 0.00 N ATOM 0 H GLN 1 50 -9.844 1.869 -2.474 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.623 3.924 -2.856 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -12.209 3.162 -0.884 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.311 4.347 0.044 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.799 5.847 -0.727 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -11.907 5.777 -2.235 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -12.560 3.706 -3.623 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -14.304 3.509 -3.828 1.00 0.00 H new ATOM 664 N CYS 1 51 -8.014 4.338 -1.692 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.837 5.147 -1.386 1.00 0.00 C ATOM 666 C CYS 1 51 -6.669 5.338 0.120 1.00 0.00 C ATOM 667 O CYS 1 51 -6.042 6.299 0.565 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.919 6.507 -2.083 1.00 0.00 C ATOM 669 SG CYS 1 51 -6.375 6.483 -3.823 1.00 0.00 S ATOM 0 H CYS 1 51 -7.800 3.437 -2.119 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.964 4.612 -1.760 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.948 6.864 -2.040 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.309 7.223 -1.532 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.223 4.414 0.900 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.122 4.479 2.354 1.00 0.00 C ATOM 676 C ARG 1 52 -6.856 3.093 2.932 1.00 0.00 C ATOM 677 O ARG 1 52 -7.238 2.085 2.338 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.406 5.057 2.952 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.229 5.604 4.360 1.00 0.00 C ATOM 680 CD ARG 1 52 -9.055 6.861 4.578 1.00 0.00 C ATOM 681 NE ARG 1 52 -8.514 7.692 5.651 1.00 0.00 N ATOM 682 CZ ARG 1 52 -9.208 8.639 6.278 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -10.470 8.878 5.942 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -8.640 9.349 7.243 1.00 0.00 N ATOM 0 H ARG 1 52 -7.746 3.612 0.549 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.288 5.132 2.611 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -8.772 5.854 2.305 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -9.172 4.281 2.966 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -8.521 4.845 5.086 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -7.176 5.824 4.536 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -9.088 7.438 3.654 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -10.082 6.583 4.817 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.547 7.537 5.937 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -10.912 8.335 5.200 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -10.998 9.605 6.426 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -7.671 9.170 7.505 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -9.172 10.075 7.723 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.197 3.040 4.087 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.892 1.761 4.718 1.00 0.00 C ATOM 700 C PHE 1 53 -7.152 1.097 5.232 1.00 0.00 C ATOM 701 O PHE 1 53 -8.045 1.754 5.767 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.892 1.926 5.866 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.504 2.251 5.404 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.011 1.701 4.235 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.694 3.102 6.135 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.741 1.992 3.801 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.415 3.398 5.705 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.937 2.842 4.535 1.00 0.00 C ATOM 0 H PHE 1 53 -5.868 3.858 4.599 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.441 1.126 3.955 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.240 2.717 6.531 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.866 1.006 6.451 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.633 1.034 3.656 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -3.065 3.539 7.050 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.371 1.556 2.885 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.790 4.063 6.283 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.062 3.071 4.195 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.213 -0.214 5.072 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.363 -0.977 5.527 1.00 0.00 C ATOM 720 C LYS 1 54 -8.455 -0.929 7.047 1.00 0.00 C ATOM 721 O LYS 1 54 -7.570 -1.418 7.745 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.267 -2.426 5.044 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.174 -2.735 3.865 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.539 -3.745 2.923 1.00 0.00 C ATOM 725 CE LYS 1 54 -9.536 -4.250 1.893 1.00 0.00 C ATOM 726 NZ LYS 1 54 -10.127 -5.559 2.287 1.00 0.00 N ATOM 0 H LYS 1 54 -6.481 -0.771 4.631 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.266 -0.533 5.107 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.235 -2.639 4.764 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.518 -3.093 5.869 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.125 -3.123 4.229 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.392 -1.816 3.321 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.690 -3.287 2.415 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -8.151 -4.586 3.498 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -10.332 -3.516 1.767 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -9.041 -4.351 0.927 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -10.259 -6.149 1.441 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -9.489 -6.042 2.951 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -11.047 -5.401 2.745 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.526 -0.328 7.559 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.721 -0.215 9.002 1.00 0.00 C ATOM 742 C LYS 1 55 -9.327 -1.508 9.709 1.00 0.00 C ATOM 743 O LYS 1 55 -9.849 -2.582 9.393 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.179 0.127 9.316 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.447 0.353 10.795 1.00 0.00 C ATOM 746 CD LYS 1 55 -12.607 1.311 11.011 1.00 0.00 C ATOM 747 CE LYS 1 55 -12.357 2.230 12.196 1.00 0.00 C ATOM 748 NZ LYS 1 55 -12.316 1.480 13.481 1.00 0.00 N ATOM 0 H LYS 1 55 -10.270 0.087 6.998 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.080 0.587 9.367 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.460 1.024 8.763 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.818 -0.681 8.959 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.667 -0.600 11.276 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.551 0.751 11.271 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -12.759 1.908 10.112 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -13.523 0.744 11.176 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -11.414 2.758 12.053 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -13.141 2.985 12.241 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -12.161 2.144 14.266 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -13.219 0.983 13.622 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -11.540 0.788 13.454 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.392 -1.404 10.656 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.924 -2.571 11.397 1.00 0.00 C ATOM 764 C ALA 1 56 -9.073 -3.523 11.685 1.00 0.00 C ATOM 765 O ALA 1 56 -10.104 -3.123 12.227 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.255 -2.156 12.694 1.00 0.00 C ATOM 0 H ALA 1 56 -7.947 -0.526 10.925 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.190 -3.087 10.778 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.915 -3.043 13.228 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.401 -1.515 12.474 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.968 -1.611 13.313 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.904 -4.774 11.296 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.952 -5.753 11.496 1.00 0.00 C ATOM 774 C GLY 1 57 -10.478 -6.280 10.178 1.00 0.00 C ATOM 775 O GLY 1 57 -11.243 -7.242 10.145 1.00 0.00 O ATOM 0 H GLY 1 57 -8.061 -5.131 10.845 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.569 -6.581 12.093 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.768 -5.303 12.061 1.00 0.00 H new ATOM 779 N THR 1 58 -10.051 -5.652 9.084 1.00 0.00 N ATOM 780 CA THR 1 58 -10.461 -6.069 7.751 1.00 0.00 C ATOM 781 C THR 1 58 -9.663 -7.296 7.318 1.00 0.00 C ATOM 782 O THR 1 58 -8.482 -7.190 6.988 1.00 0.00 O ATOM 783 CB THR 1 58 -10.245 -4.929 6.755 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.058 -3.816 7.081 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.546 -5.316 5.326 1.00 0.00 C ATOM 0 H THR 1 58 -9.420 -4.851 9.098 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.520 -6.325 7.773 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.187 -4.679 6.829 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.689 -3.360 7.866 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.372 -4.461 4.673 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.896 -6.139 5.027 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.587 -5.628 5.245 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.306 -8.459 7.325 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.637 -9.694 6.937 1.00 0.00 C ATOM 795 C VAL 1 59 -9.219 -9.657 5.472 1.00 0.00 C ATOM 796 O VAL 1 59 -10.050 -9.473 4.583 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.534 -10.929 7.170 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.822 -10.814 6.369 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.790 -12.208 6.813 1.00 0.00 C ATOM 0 H VAL 1 59 -11.284 -8.572 7.593 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.751 -9.777 7.567 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.793 -10.970 8.228 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.441 -11.694 6.546 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.364 -9.921 6.678 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.585 -10.745 5.307 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.439 -13.067 6.984 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.497 -12.178 5.763 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.900 -12.297 7.435 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.926 -9.836 5.229 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.397 -9.826 3.866 1.00 0.00 C ATOM 811 C CYS 1 60 -6.795 -11.180 3.494 1.00 0.00 C ATOM 812 O CYS 1 60 -6.620 -11.487 2.315 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.334 -8.732 3.701 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.373 -7.428 4.975 1.00 0.00 S ATOM 0 H CYS 1 60 -7.225 -9.989 5.954 1.00 0.00 H new ATOM 0 HA CYS 1 60 -8.232 -9.619 3.197 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.349 -9.198 3.709 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -6.459 -8.268 2.723 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.472 -11.983 4.503 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.880 -13.299 4.276 1.00 0.00 C ATOM 821 C ARG 1 61 -6.196 -14.257 5.424 1.00 0.00 C ATOM 822 O ARG 1 61 -6.653 -13.842 6.488 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.363 -13.171 4.108 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.904 -13.189 2.659 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.454 -13.632 2.540 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.594 -12.969 3.517 1.00 0.00 N ATOM 827 CZ ARG 1 61 -1.072 -11.757 3.349 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -1.320 -11.065 2.245 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.303 -11.236 4.294 1.00 0.00 N ATOM 0 H ARG 1 61 -6.610 -11.747 5.486 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.313 -13.708 3.363 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -4.032 -12.242 4.573 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.877 -13.986 4.644 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.540 -13.862 2.083 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -4.019 -12.195 2.227 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.393 -14.712 2.678 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.092 -13.418 1.535 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.380 -13.466 4.382 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -1.915 -11.462 1.517 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -0.916 -10.136 2.124 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.113 -11.764 5.146 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 0.099 -10.307 4.169 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.944 -15.543 5.195 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.190 -16.575 6.196 1.00 0.00 C ATOM 845 C ILE 1 62 -5.301 -17.782 5.930 1.00 0.00 C ATOM 846 O ILE 1 62 -5.327 -18.353 4.840 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.663 -17.049 6.216 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.631 -15.885 5.987 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.974 -17.734 7.538 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.644 -15.378 4.563 1.00 0.00 C ATOM 0 H ILE 1 62 -5.566 -15.897 4.316 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.963 -16.128 7.164 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.796 -17.760 5.401 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.638 -16.202 6.260 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -8.363 -15.065 6.653 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.013 -18.064 7.541 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.319 -18.596 7.664 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.813 -17.034 8.357 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -9.352 -14.554 4.477 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -7.647 -15.030 4.292 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.941 -16.184 3.892 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.511 -18.162 6.926 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.605 -19.302 6.797 1.00 0.00 C ATOM 864 C ALA 1 63 -4.297 -20.496 6.148 1.00 0.00 C ATOM 865 O ALA 1 63 -4.001 -20.850 5.006 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.037 -19.686 8.155 1.00 0.00 C ATOM 0 H ALA 1 63 -4.477 -17.699 7.834 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.784 -19.002 6.146 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.365 -20.536 8.041 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.487 -18.842 8.571 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -3.852 -19.955 8.827 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.220 -21.111 6.877 1.00 0.00 N ATOM 873 CA ARG 1 64 -5.953 -22.265 6.360 1.00 0.00 C ATOM 874 C ARG 1 64 -6.950 -22.799 7.385 1.00 0.00 C ATOM 875 O ARG 1 64 -6.792 -23.904 7.904 1.00 0.00 O ATOM 876 CB ARG 1 64 -4.981 -23.376 5.953 1.00 0.00 C ATOM 877 CG ARG 1 64 -5.412 -24.136 4.709 1.00 0.00 C ATOM 878 CD ARG 1 64 -5.371 -23.251 3.474 1.00 0.00 C ATOM 879 NE ARG 1 64 -6.476 -23.534 2.561 1.00 0.00 N ATOM 880 CZ ARG 1 64 -6.880 -22.700 1.605 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -6.274 -21.532 1.433 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -7.893 -23.036 0.818 1.00 0.00 N ATOM 0 H ARG 1 64 -5.480 -20.834 7.824 1.00 0.00 H new ATOM 0 HA ARG 1 64 -6.511 -21.935 5.483 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -3.997 -22.941 5.780 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -4.878 -24.078 6.780 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -4.760 -24.997 4.563 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -6.422 -24.521 4.848 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -5.410 -22.205 3.776 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -4.424 -23.398 2.954 1.00 0.00 H new ATOM 0 HE ARG 1 64 -6.967 -24.423 2.662 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -5.494 -21.269 2.035 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -6.588 -20.898 0.699 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -8.362 -23.933 0.945 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -8.203 -22.398 0.085 1.00 0.00 H new ATOM 896 N GLY 1 65 -7.981 -22.012 7.668 1.00 0.00 N ATOM 897 CA GLY 1 65 -8.988 -22.430 8.624 1.00 0.00 C ATOM 898 C GLY 1 65 -9.609 -21.264 9.363 1.00 0.00 C ATOM 899 O GLY 1 65 -10.327 -20.456 8.774 1.00 0.00 O ATOM 0 H GLY 1 65 -8.137 -21.093 7.253 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.770 -22.984 8.104 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.538 -23.114 9.344 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.330 -21.177 10.658 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.864 -20.101 11.483 1.00 0.00 C ATOM 905 C ASP 1 66 -9.204 -20.091 12.857 1.00 0.00 C ATOM 906 O ASP 1 66 -9.752 -20.614 13.828 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.380 -20.244 11.631 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.793 -21.651 12.015 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.734 -22.546 11.145 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.175 -21.859 13.186 1.00 0.00 O ATOM 0 H ASP 1 66 -8.737 -21.839 11.159 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.645 -19.155 10.988 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.736 -19.545 12.387 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.861 -19.970 10.692 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.022 -19.494 12.927 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.271 -19.410 14.176 1.00 0.00 C ATOM 917 C TRP 1 67 -7.031 -17.955 14.553 1.00 0.00 C ATOM 918 O TRP 1 67 -7.596 -17.444 15.520 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.930 -20.141 14.037 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.641 -20.596 12.640 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.295 -19.815 11.575 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.684 -21.939 12.156 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.123 -20.593 10.459 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.354 -21.901 10.790 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.969 -23.169 12.748 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.302 -23.048 10.006 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.917 -24.310 11.970 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.585 -24.243 10.611 1.00 0.00 C ATOM 0 H TRP 1 67 -7.559 -19.058 12.130 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.855 -19.886 14.964 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.129 -19.481 14.369 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -5.926 -21.006 14.701 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.174 -18.742 11.607 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.865 -20.252 9.533 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.226 -23.229 13.795 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -5.048 -22.998 8.958 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.136 -25.268 12.417 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.552 -25.152 10.029 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.193 -17.297 13.767 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.867 -15.892 13.986 1.00 0.00 C ATOM 941 C ASN 1 68 -6.397 -15.043 12.837 1.00 0.00 C ATOM 942 O ASN 1 68 -6.833 -13.909 13.036 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.353 -15.701 14.120 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.675 -16.860 14.826 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -3.450 -17.947 14.097 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -3.358 -16.780 16.013 1.00 0.00 N flip ATOM 0 H ASN 1 68 -5.722 -17.716 12.965 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.341 -15.572 14.914 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.917 -15.581 13.128 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.155 -14.781 14.669 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -3.550 -15.925 16.536 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -2.904 -17.568 16.474 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.362 -15.608 11.632 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.844 -14.917 10.442 1.00 0.00 C ATOM 955 C ASP 1 69 -6.032 -13.660 10.163 1.00 0.00 C ATOM 956 O ASP 1 69 -5.653 -12.937 11.082 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.314 -14.541 10.606 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.250 -15.638 10.138 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.086 -16.791 10.588 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -10.147 -15.344 9.320 1.00 0.00 O ATOM 0 H ASP 1 69 -6.003 -16.546 11.455 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.731 -15.598 9.599 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.514 -14.320 11.654 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.517 -13.630 10.043 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.781 -13.398 8.886 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.026 -12.218 8.488 1.00 0.00 C ATOM 967 C ASP 1 70 -5.906 -10.983 8.562 1.00 0.00 C ATOM 968 O ASP 1 70 -7.037 -10.989 8.075 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.479 -12.383 7.074 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.361 -11.414 6.775 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.524 -10.217 7.086 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.325 -11.851 6.232 1.00 0.00 O ATOM 0 H ASP 1 70 -6.089 -13.985 8.111 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.188 -12.099 9.174 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.117 -13.403 6.944 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.286 -12.237 6.356 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.398 -9.929 9.189 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.175 -8.710 9.336 1.00 0.00 C ATOM 979 C TYR 1 71 -5.349 -7.450 9.142 1.00 0.00 C ATOM 980 O TYR 1 71 -4.210 -7.354 9.597 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.818 -8.682 10.714 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.064 -9.513 10.791 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.235 -9.068 10.209 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.069 -10.740 11.433 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.387 -9.817 10.265 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.215 -11.502 11.496 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.377 -11.037 10.911 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.525 -11.792 10.969 1.00 0.00 O ATOM 0 H TYR 1 71 -4.464 -9.895 9.598 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.933 -8.720 8.553 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.101 -9.042 11.452 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.057 -7.652 10.977 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.246 -8.115 9.701 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.161 -11.105 11.891 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.294 -9.453 9.806 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.205 -12.457 12.000 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.346 -12.622 11.458 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.963 -6.474 8.486 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.332 -5.188 8.241 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.157 -4.437 9.562 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.790 -4.780 10.560 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.192 -4.377 7.271 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.418 -2.841 6.676 1.00 0.00 S ATOM 0 H CYS 1 72 -6.908 -6.553 8.111 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.348 -5.340 7.797 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.436 -5.002 6.412 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.133 -4.128 7.761 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.292 -3.426 9.574 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.044 -2.658 10.794 1.00 0.00 C ATOM 1010 C THR 1 73 -4.369 -1.175 10.615 1.00 0.00 C ATOM 1011 O THR 1 73 -4.092 -0.362 11.497 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.586 -2.817 11.227 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.737 -1.996 10.445 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.082 -4.240 11.111 1.00 0.00 C ATOM 0 H THR 1 73 -3.755 -3.121 8.762 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.704 -3.052 11.566 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.562 -2.522 12.276 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.809 -2.111 10.739 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.042 -4.285 11.433 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.686 -4.892 11.742 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.155 -4.569 10.074 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.959 -0.825 9.477 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.309 0.560 9.215 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.138 1.509 9.395 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.331 2.703 9.624 1.00 0.00 O ATOM 0 H GLY 1 74 -5.202 -1.476 8.730 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.688 0.647 8.197 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.118 0.858 9.883 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.921 0.981 9.293 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.721 1.796 9.448 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.677 1.467 8.381 1.00 0.00 C ATOM 1032 O LYS 1 75 0.458 1.938 8.452 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.117 1.592 10.840 1.00 0.00 C ATOM 1034 CG LYS 1 75 -2.140 1.640 11.964 1.00 0.00 C ATOM 1035 CD LYS 1 75 -1.673 2.524 13.109 1.00 0.00 C ATOM 1036 CE LYS 1 75 -0.371 2.016 13.709 1.00 0.00 C ATOM 1037 NZ LYS 1 75 0.818 2.636 13.062 1.00 0.00 N ATOM 0 H LYS 1 75 -2.741 -0.005 9.104 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.014 2.839 9.327 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.606 0.630 10.867 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.362 2.359 11.015 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -3.088 2.014 11.578 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.323 0.631 12.334 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -1.536 3.544 12.750 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -2.442 2.558 13.881 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -0.356 2.230 14.778 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -0.320 0.933 13.600 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 1.554 2.804 13.777 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 1.187 1.997 12.329 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 0.545 3.540 12.627 1.00 0.00 H new ATOM 1051 N SER 1 76 -1.059 0.659 7.395 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.140 0.280 6.327 1.00 0.00 C ATOM 1053 C SER 1 76 -0.862 -0.489 5.225 1.00 0.00 C ATOM 1054 O SER 1 76 -2.028 -0.852 5.371 1.00 0.00 O ATOM 1055 CB SER 1 76 1.003 -0.567 6.888 1.00 0.00 C ATOM 1056 OG SER 1 76 2.084 -0.636 5.975 1.00 0.00 O ATOM 0 H SER 1 76 -1.993 0.257 7.314 1.00 0.00 H new ATOM 0 HA SER 1 76 0.268 1.194 5.896 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.346 -0.141 7.831 1.00 0.00 H new ATOM 0 HB3 SER 1 76 0.642 -1.572 7.105 1.00 0.00 H new ATOM 0 HG SER 1 76 2.802 -1.182 6.359 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.154 -0.737 4.127 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.711 -1.471 2.994 1.00 0.00 C ATOM 1064 C SER 1 77 -0.480 -2.972 3.148 1.00 0.00 C ATOM 1065 O SER 1 77 -0.677 -3.738 2.204 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.072 -0.985 1.691 1.00 0.00 C ATOM 1067 OG SER 1 77 1.187 -1.600 1.478 1.00 0.00 O ATOM 0 H SER 1 77 0.813 -0.438 3.997 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.785 -1.287 2.965 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.734 -1.206 0.854 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.050 0.098 1.724 1.00 0.00 H new ATOM 0 HG SER 1 77 1.573 -1.273 0.638 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.057 -3.388 4.340 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.213 -4.797 4.602 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.839 -5.417 5.516 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.287 -4.799 6.481 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.600 -4.961 5.224 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.707 -4.911 4.189 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 3.113 -3.793 3.808 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.168 -5.990 3.760 1.00 0.00 O ATOM 0 H ASP 1 78 0.105 -2.771 5.136 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.176 -5.320 3.646 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.760 -4.174 5.961 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.647 -5.911 5.756 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.212 -6.652 5.203 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.197 -7.390 5.984 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.548 -8.622 6.616 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.392 -9.648 5.959 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.362 -7.818 5.087 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.580 -6.502 4.765 1.00 0.00 S ATOM 0 H CYS 1 79 -0.842 -7.168 4.405 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.576 -6.743 6.775 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.963 -8.169 4.135 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.871 -8.663 5.550 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.143 -8.534 7.895 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.493 -9.650 8.602 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.443 -10.812 8.906 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.546 -10.610 9.412 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.014 -9.005 9.905 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.937 -7.858 10.120 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.268 -7.338 8.750 1.00 0.00 C ATOM 0 HA PRO 1 80 0.299 -10.095 8.000 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.058 -9.710 10.735 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.021 -8.671 9.825 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.838 -8.174 10.647 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.466 -7.086 10.728 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.273 -6.919 8.711 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.581 -6.550 8.442 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.992 -12.033 8.602 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.786 -13.248 8.851 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.357 -13.248 10.264 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.380 -13.874 10.534 1.00 0.00 O ATOM 1113 CB TRP 1 81 -0.941 -14.523 8.688 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.356 -14.335 7.965 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.533 -13.875 8.481 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.602 -14.618 6.592 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.497 -13.852 7.502 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.946 -14.306 6.332 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.192 -15.106 5.560 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.514 -14.468 5.073 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 0.370 -15.268 4.307 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 1.714 -14.951 4.073 1.00 0.00 C ATOM 0 H TRP 1 81 -0.079 -12.210 8.182 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.591 -13.244 8.116 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.732 -14.931 9.677 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.533 -15.267 8.154 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.684 -13.574 9.507 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.463 -13.548 7.626 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.229 -15.354 5.734 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.550 -14.221 4.891 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -0.237 -15.645 3.497 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 2.127 -15.090 3.085 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.656 -12.568 11.162 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.038 -12.491 12.571 1.00 0.00 C ATOM 1135 C ASN 1 82 -1.502 -13.705 13.321 1.00 0.00 C ATOM 1136 O ASN 1 82 -2.079 -14.142 14.317 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.559 -12.401 12.731 1.00 0.00 C ATOM 1138 CG ASN 1 82 -3.967 -11.837 14.078 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -3.760 -12.466 15.116 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -4.550 -10.644 14.067 1.00 0.00 N ATOM 0 H ASN 1 82 -0.805 -12.053 10.936 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.602 -11.585 12.992 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.968 -11.774 11.939 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.994 -13.393 12.609 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -4.846 -10.213 14.943 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -4.702 -10.159 13.183 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.393 -14.249 12.825 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.232 -15.418 13.430 1.00 0.00 C ATOM 1149 C HIS 1 83 1.441 -15.018 14.270 1.00 0.00 C ATOM 1150 O HIS 1 83 1.828 -15.805 15.159 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.654 -16.405 12.339 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.463 -16.779 11.416 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -1.799 -16.840 11.625 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -0.266 -17.138 10.100 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -2.378 -17.228 10.443 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -1.433 -17.400 9.538 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 1.989 -13.922 14.032 1.00 0.00 O ATOM 0 H HIS 1 83 0.092 -13.895 12.001 1.00 0.00 H new ATOM 0 HA HIS 1 83 -0.495 -15.895 14.087 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.466 -15.968 11.758 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 1.047 -17.307 12.807 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -2.285 -16.636 12.498 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 0.692 -17.196 9.605 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -3.436 -17.370 10.280 1.00 0.00 H new TER 1166 HIS 1 83