USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 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= -2.66! K(o=-15!,f=-10) USER MOD Set 1.2: 1 83 HIS : no HD1:sc= -11.9! C(o=-15!,f=-10!) USER MOD Set 2.1: 1 37 THR OG1 : rot -153:sc= 1.1 USER MOD Set 2.2: 1 40 SER OG : rot 170:sc= 0 USER MOD Set 3.1: 1 8 LYS NZ :NH3+ -160:sc= 0 (180deg=0) USER MOD Set 3.2: 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: 1 20 SER OG : rot -129:sc= 0.0207 USER MOD Set 4.2: 1 23 ASN : amide:sc= -0.815 K(o=-0.79,f=-4.9!) USER MOD Single : 1 1 SER N :NH3+ 136:sc= 0.292 (180deg=0.0186) USER MOD Single : 1 1 SER OG : rot 180:sc= 0.128 USER MOD Single : 1 7 ASN : amide:sc= -2.66 K(o=-2.7,f=-1.6) USER MOD Single : 1 12 GLN : amide:sc= -2.74! C(o=-2.7!,f=-4.5!) USER MOD Single : 1 30 ASN : amide:sc= -5.24! K(o=-5.2!,f=-0.68) USER MOD Single : 1 33 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ -147:sc= -0.385 (180deg=-1.58!) USER MOD Single : 1 41 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.0088) USER MOD Single : 1 43 ASN : amide:sc= -3.43 K(o=-3.4,f=-5.3!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 151:sc= -1.13! (180deg=-2.49!) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 76:sc= 0.772 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0.00289 USER MOD Single : 1 75 LYS NZ :NH3+ -160:sc= -0.914 (180deg=-1.56) USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot 175:sc= 0.252 USER MOD Single : 1 82 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 12.602 -4.538 -11.259 1.00 0.00 N ATOM 2 CA SER 1 1 13.377 -3.274 -11.370 1.00 0.00 C ATOM 3 C SER 1 1 13.839 -2.788 -9.999 1.00 0.00 C ATOM 4 O SER 1 1 13.189 -3.049 -8.987 1.00 0.00 O ATOM 5 CB SER 1 1 12.493 -2.217 -12.035 1.00 0.00 C ATOM 6 OG SER 1 1 11.649 -2.799 -13.012 1.00 0.00 O ATOM 0 H1 SER 1 1 11.759 -4.483 -11.866 1.00 0.00 H new ATOM 0 H2 SER 1 1 13.195 -5.337 -11.562 1.00 0.00 H new ATOM 0 H3 SER 1 1 12.308 -4.680 -10.271 1.00 0.00 H new ATOM 0 HA SER 1 1 14.268 -3.452 -11.972 1.00 0.00 H new ATOM 0 HB2 SER 1 1 11.888 -1.717 -11.279 1.00 0.00 H new ATOM 0 HB3 SER 1 1 13.119 -1.454 -12.498 1.00 0.00 H new ATOM 0 HG SER 1 1 11.093 -2.103 -13.421 1.00 0.00 H new ATOM 14 N PRO 1 2 14.975 -2.070 -9.948 1.00 0.00 N ATOM 15 CA PRO 1 2 15.522 -1.547 -8.692 1.00 0.00 C ATOM 16 C PRO 1 2 14.670 -0.420 -8.114 1.00 0.00 C ATOM 17 O PRO 1 2 13.733 0.054 -8.757 1.00 0.00 O ATOM 18 CB PRO 1 2 16.901 -1.021 -9.096 1.00 0.00 C ATOM 19 CG PRO 1 2 16.775 -0.704 -10.545 1.00 0.00 C ATOM 20 CD PRO 1 2 15.812 -1.713 -11.108 1.00 0.00 C ATOM 0 HA PRO 1 2 15.553 -2.309 -7.913 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 17.172 -0.137 -8.519 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 17.676 -1.766 -8.920 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 16.406 0.311 -10.692 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 17.742 -0.767 -11.044 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 15.217 -1.292 -11.919 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 16.331 -2.582 -11.512 1.00 0.00 H new ATOM 28 N PRO 1 3 14.985 0.026 -6.885 1.00 0.00 N ATOM 29 CA PRO 1 3 14.253 1.097 -6.214 1.00 0.00 C ATOM 30 C PRO 1 3 14.650 2.472 -6.739 1.00 0.00 C ATOM 31 O PRO 1 3 15.706 2.999 -6.389 1.00 0.00 O ATOM 32 CB PRO 1 3 14.656 0.949 -4.735 1.00 0.00 C ATOM 33 CG PRO 1 3 15.535 -0.262 -4.664 1.00 0.00 C ATOM 34 CD PRO 1 3 16.075 -0.473 -6.047 1.00 0.00 C ATOM 0 HA PRO 1 3 13.178 1.021 -6.378 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.185 1.835 -4.384 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 13.777 0.830 -4.101 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 16.344 -0.113 -3.949 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 14.971 -1.133 -4.330 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.000 0.079 -6.211 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.291 -1.523 -6.244 1.00 0.00 H new ATOM 42 N VAL 1 4 13.800 3.051 -7.582 1.00 0.00 N ATOM 43 CA VAL 1 4 14.070 4.364 -8.152 1.00 0.00 C ATOM 44 C VAL 1 4 12.985 5.366 -7.781 1.00 0.00 C ATOM 45 O VAL 1 4 11.858 5.289 -8.270 1.00 0.00 O ATOM 46 CB VAL 1 4 14.193 4.297 -9.688 1.00 0.00 C ATOM 47 CG1 VAL 1 4 15.640 4.066 -10.097 1.00 0.00 C ATOM 48 CG2 VAL 1 4 13.292 3.209 -10.257 1.00 0.00 C ATOM 0 H VAL 1 4 12.921 2.632 -7.884 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.020 4.697 -7.733 1.00 0.00 H new ATOM 0 HB VAL 1 4 13.868 5.253 -10.099 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 15.708 4.021 -11.184 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.258 4.885 -9.728 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 15.992 3.126 -9.673 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 13.396 3.181 -11.342 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 13.579 2.244 -9.840 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 12.255 3.423 -9.997 1.00 0.00 H new ATOM 58 N CYS 1 5 13.343 6.321 -6.929 1.00 0.00 N ATOM 59 CA CYS 1 5 12.409 7.356 -6.510 1.00 0.00 C ATOM 60 C CYS 1 5 12.355 8.432 -7.584 1.00 0.00 C ATOM 61 O CYS 1 5 13.314 9.179 -7.773 1.00 0.00 O ATOM 62 CB CYS 1 5 12.849 7.971 -5.177 1.00 0.00 C ATOM 63 SG CYS 1 5 11.590 7.910 -3.863 1.00 0.00 S ATOM 0 H CYS 1 5 14.273 6.398 -6.516 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.421 6.916 -6.373 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 13.743 7.453 -4.830 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 13.129 9.011 -5.346 1.00 0.00 H new ATOM 68 N GLY 1 6 11.251 8.482 -8.311 1.00 0.00 N ATOM 69 CA GLY 1 6 11.125 9.442 -9.386 1.00 0.00 C ATOM 70 C GLY 1 6 11.249 8.756 -10.727 1.00 0.00 C ATOM 71 O GLY 1 6 11.682 9.352 -11.713 1.00 0.00 O ATOM 0 H GLY 1 6 10.441 7.876 -8.177 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.162 9.948 -9.318 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.895 10.207 -9.290 1.00 0.00 H new ATOM 75 N ASN 1 7 10.863 7.486 -10.746 1.00 0.00 N ATOM 76 CA ASN 1 7 10.912 6.666 -11.942 1.00 0.00 C ATOM 77 C ASN 1 7 9.554 6.023 -12.176 1.00 0.00 C ATOM 78 O ASN 1 7 9.395 5.169 -13.048 1.00 0.00 O ATOM 79 CB ASN 1 7 11.977 5.579 -11.778 1.00 0.00 C ATOM 80 CG ASN 1 7 12.099 4.695 -13.004 1.00 0.00 C ATOM 81 OD1 ASN 1 7 12.794 5.034 -13.962 1.00 0.00 O ATOM 82 ND2 ASN 1 7 11.422 3.553 -12.980 1.00 0.00 N ATOM 0 H ASN 1 7 10.506 6.997 -9.925 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.166 7.291 -12.798 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.940 6.047 -11.574 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.732 4.963 -10.913 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 11.466 2.917 -13.776 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 10.858 3.311 -12.165 1.00 0.00 H new ATOM 89 N LYS 1 8 8.579 6.432 -11.367 1.00 0.00 N ATOM 90 CA LYS 1 8 7.234 5.896 -11.448 1.00 0.00 C ATOM 91 C LYS 1 8 7.187 4.497 -10.846 1.00 0.00 C ATOM 92 O LYS 1 8 6.254 3.733 -11.096 1.00 0.00 O ATOM 93 CB LYS 1 8 6.741 5.865 -12.898 1.00 0.00 C ATOM 94 CG LYS 1 8 5.248 6.109 -13.039 1.00 0.00 C ATOM 95 CD LYS 1 8 4.747 5.717 -14.420 1.00 0.00 C ATOM 96 CE LYS 1 8 5.418 6.537 -15.509 1.00 0.00 C ATOM 97 NZ LYS 1 8 4.873 7.921 -15.579 1.00 0.00 N ATOM 0 H LYS 1 8 8.704 7.140 -10.643 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.573 6.550 -10.878 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.280 6.619 -13.472 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.985 4.897 -13.335 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 4.712 5.538 -12.281 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 5.032 7.162 -12.858 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 4.939 4.658 -14.591 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 3.667 5.858 -14.470 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 6.491 6.579 -15.323 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 5.281 6.044 -16.471 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 5.089 8.332 -16.510 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 3.842 7.896 -15.442 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 5.307 8.503 -14.834 1.00 0.00 H new ATOM 111 N ILE 1 9 8.202 4.166 -10.048 1.00 0.00 N ATOM 112 CA ILE 1 9 8.276 2.865 -9.413 1.00 0.00 C ATOM 113 C ILE 1 9 8.041 2.976 -7.915 1.00 0.00 C ATOM 114 O ILE 1 9 8.699 3.755 -7.227 1.00 0.00 O ATOM 115 CB ILE 1 9 9.650 2.186 -9.673 1.00 0.00 C ATOM 116 CG1 ILE 1 9 9.464 0.743 -10.148 1.00 0.00 C ATOM 117 CG2 ILE 1 9 10.541 2.212 -8.438 1.00 0.00 C ATOM 118 CD1 ILE 1 9 8.410 -0.027 -9.379 1.00 0.00 C ATOM 0 H ILE 1 9 8.982 4.787 -9.830 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.492 2.248 -9.852 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.144 2.760 -10.457 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 9.195 0.751 -11.204 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 10.416 0.218 -10.065 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 11.491 1.727 -8.664 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 10.722 3.245 -8.142 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 10.048 1.682 -7.623 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 8.338 -1.040 -9.775 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 8.686 -0.068 -8.325 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 7.447 0.472 -9.483 1.00 0.00 H new ATOM 130 N LEU 1 10 7.130 2.165 -7.409 1.00 0.00 N ATOM 131 CA LEU 1 10 6.851 2.144 -5.985 1.00 0.00 C ATOM 132 C LEU 1 10 7.813 1.162 -5.339 1.00 0.00 C ATOM 133 O LEU 1 10 7.403 0.171 -4.735 1.00 0.00 O ATOM 134 CB LEU 1 10 5.400 1.731 -5.715 1.00 0.00 C ATOM 135 CG LEU 1 10 4.410 2.056 -6.837 1.00 0.00 C ATOM 136 CD1 LEU 1 10 4.337 0.908 -7.834 1.00 0.00 C ATOM 137 CD2 LEU 1 10 3.034 2.355 -6.261 1.00 0.00 C ATOM 0 H LEU 1 10 6.572 1.514 -7.961 1.00 0.00 H new ATOM 0 HA LEU 1 10 6.985 3.141 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 5.373 0.657 -5.528 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 5.063 2.222 -4.802 1.00 0.00 H new ATOM 0 HG LEU 1 10 4.762 2.943 -7.363 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 3.629 1.157 -8.624 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 5.322 0.741 -8.269 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 4.008 0.003 -7.323 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 2.342 2.584 -7.072 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 2.673 1.486 -5.711 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 3.099 3.210 -5.587 1.00 0.00 H new ATOM 149 N GLU 1 11 9.106 1.434 -5.501 1.00 0.00 N ATOM 150 CA GLU 1 11 10.137 0.560 -4.964 1.00 0.00 C ATOM 151 C GLU 1 11 11.114 1.332 -4.095 1.00 0.00 C ATOM 152 O GLU 1 11 11.438 0.899 -2.990 1.00 0.00 O ATOM 153 CB GLU 1 11 10.879 -0.141 -6.103 1.00 0.00 C ATOM 154 CG GLU 1 11 11.891 -1.171 -5.630 1.00 0.00 C ATOM 155 CD GLU 1 11 11.296 -2.172 -4.658 1.00 0.00 C ATOM 156 OE1 GLU 1 11 11.253 -1.870 -3.447 1.00 0.00 O ATOM 157 OE2 GLU 1 11 10.872 -3.257 -5.108 1.00 0.00 O ATOM 0 H GLU 1 11 9.460 2.251 -5.999 1.00 0.00 H new ATOM 0 HA GLU 1 11 9.653 -0.191 -4.339 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 10.152 -0.630 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.391 0.608 -6.706 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 12.292 -1.703 -6.493 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 12.727 -0.660 -5.153 1.00 0.00 H new ATOM 164 N GLN 1 12 11.585 2.477 -4.589 1.00 0.00 N ATOM 165 CA GLN 1 12 12.526 3.289 -3.815 1.00 0.00 C ATOM 166 C GLN 1 12 11.872 3.843 -2.544 1.00 0.00 C ATOM 167 O GLN 1 12 11.704 5.054 -2.399 1.00 0.00 O ATOM 168 CB GLN 1 12 13.075 4.437 -4.661 1.00 0.00 C ATOM 169 CG GLN 1 12 14.426 4.946 -4.184 1.00 0.00 C ATOM 170 CD GLN 1 12 14.385 5.462 -2.759 1.00 0.00 C ATOM 171 OE1 GLN 1 12 13.896 6.561 -2.498 1.00 0.00 O ATOM 172 NE2 GLN 1 12 14.900 4.668 -1.827 1.00 0.00 N ATOM 0 H GLN 1 12 11.338 2.858 -5.502 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.351 2.640 -3.521 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.165 4.106 -5.696 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 12.361 5.260 -4.651 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 15.158 4.142 -4.254 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 14.764 5.744 -4.846 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 15.295 3.765 -2.088 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 14.900 4.962 -0.850 1.00 0.00 H new ATOM 181 N GLY 1 13 11.520 2.940 -1.623 1.00 0.00 N ATOM 182 CA GLY 1 13 10.898 3.326 -0.359 1.00 0.00 C ATOM 183 C GLY 1 13 9.961 4.516 -0.471 1.00 0.00 C ATOM 184 O GLY 1 13 9.863 5.323 0.453 1.00 0.00 O ATOM 0 H GLY 1 13 11.657 1.935 -1.733 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.343 2.475 0.036 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 11.680 3.559 0.363 1.00 0.00 H new ATOM 188 N GLU 1 14 9.275 4.630 -1.602 1.00 0.00 N ATOM 189 CA GLU 1 14 8.350 5.738 -1.818 1.00 0.00 C ATOM 190 C GLU 1 14 6.906 5.342 -1.520 1.00 0.00 C ATOM 191 O GLU 1 14 6.177 6.078 -0.856 1.00 0.00 O ATOM 192 CB GLU 1 14 8.465 6.282 -3.248 1.00 0.00 C ATOM 193 CG GLU 1 14 8.166 5.266 -4.341 1.00 0.00 C ATOM 194 CD GLU 1 14 9.282 4.261 -4.522 1.00 0.00 C ATOM 195 OE1 GLU 1 14 9.291 3.256 -3.784 1.00 0.00 O ATOM 196 OE2 GLU 1 14 10.149 4.482 -5.394 1.00 0.00 O ATOM 0 H GLU 1 14 9.340 3.974 -2.380 1.00 0.00 H new ATOM 0 HA GLU 1 14 8.631 6.526 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 7.782 7.125 -3.358 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 9.474 6.668 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 7.243 4.739 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 7.997 5.789 -5.282 1.00 0.00 H new ATOM 203 N ASP 1 15 6.491 4.186 -2.027 1.00 0.00 N ATOM 204 CA ASP 1 15 5.125 3.708 -1.827 1.00 0.00 C ATOM 205 C ASP 1 15 4.122 4.577 -2.592 1.00 0.00 C ATOM 206 O ASP 1 15 2.913 4.461 -2.395 1.00 0.00 O ATOM 207 CB ASP 1 15 4.772 3.695 -0.337 1.00 0.00 C ATOM 208 CG ASP 1 15 5.862 3.067 0.510 1.00 0.00 C ATOM 209 OD1 ASP 1 15 5.905 1.821 0.593 1.00 0.00 O ATOM 210 OD2 ASP 1 15 6.671 3.820 1.091 1.00 0.00 O ATOM 0 H ASP 1 15 7.079 3.562 -2.579 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.068 2.690 -2.214 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 4.596 4.716 0.001 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 3.841 3.147 -0.192 1.00 0.00 H new ATOM 215 N CYS 1 16 4.636 5.444 -3.469 1.00 0.00 N ATOM 216 CA CYS 1 16 3.799 6.334 -4.273 1.00 0.00 C ATOM 217 C CYS 1 16 4.649 7.416 -4.929 1.00 0.00 C ATOM 218 O CYS 1 16 4.854 8.487 -4.360 1.00 0.00 O ATOM 219 CB CYS 1 16 2.702 6.982 -3.422 1.00 0.00 C ATOM 220 SG CYS 1 16 1.039 6.277 -3.672 1.00 0.00 S ATOM 0 H CYS 1 16 5.636 5.547 -3.640 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.324 5.732 -5.048 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 2.970 6.885 -2.370 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 2.668 8.048 -3.645 1.00 0.00 H new ATOM 225 N ASP 1 17 5.140 7.131 -6.129 1.00 0.00 N ATOM 226 CA ASP 1 17 5.967 8.085 -6.855 1.00 0.00 C ATOM 227 C ASP 1 17 5.678 8.046 -8.352 1.00 0.00 C ATOM 228 O ASP 1 17 5.149 7.065 -8.874 1.00 0.00 O ATOM 229 CB ASP 1 17 7.450 7.799 -6.609 1.00 0.00 C ATOM 230 CG ASP 1 17 8.360 8.725 -7.394 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.605 8.444 -8.586 1.00 0.00 O ATOM 232 OD2 ASP 1 17 8.827 9.729 -6.819 1.00 0.00 O ATOM 0 H ASP 1 17 4.980 6.250 -6.618 1.00 0.00 H new ATOM 0 HA ASP 1 17 5.724 9.081 -6.485 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 7.664 7.901 -5.545 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.667 6.766 -6.881 1.00 0.00 H new ATOM 237 N CYS 1 18 6.045 9.124 -9.032 1.00 0.00 N ATOM 238 CA CYS 1 18 5.852 9.238 -10.471 1.00 0.00 C ATOM 239 C CYS 1 18 7.189 9.475 -11.165 1.00 0.00 C ATOM 240 O CYS 1 18 8.054 10.174 -10.638 1.00 0.00 O ATOM 241 CB CYS 1 18 4.903 10.389 -10.796 1.00 0.00 C ATOM 242 SG CYS 1 18 3.212 10.183 -10.148 1.00 0.00 S ATOM 0 H CYS 1 18 6.483 9.940 -8.604 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.417 8.305 -10.830 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.322 11.312 -10.395 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.852 10.506 -11.879 1.00 0.00 H new ATOM 247 N GLY 1 19 7.354 8.899 -12.350 1.00 0.00 N ATOM 248 CA GLY 1 19 8.591 9.074 -13.091 1.00 0.00 C ATOM 249 C GLY 1 19 9.022 10.528 -13.163 1.00 0.00 C ATOM 250 O GLY 1 19 10.204 10.841 -13.024 1.00 0.00 O ATOM 0 H GLY 1 19 6.656 8.315 -12.811 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 9.380 8.487 -12.620 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 8.464 8.685 -14.101 1.00 0.00 H new ATOM 254 N SER 1 20 8.057 11.418 -13.377 1.00 0.00 N ATOM 255 CA SER 1 20 8.338 12.847 -13.461 1.00 0.00 C ATOM 256 C SER 1 20 7.268 13.658 -12.728 1.00 0.00 C ATOM 257 O SER 1 20 6.096 13.627 -13.102 1.00 0.00 O ATOM 258 CB SER 1 20 8.410 13.286 -14.925 1.00 0.00 C ATOM 259 OG SER 1 20 8.416 14.699 -15.034 1.00 0.00 O ATOM 0 H SER 1 20 7.074 11.174 -13.495 1.00 0.00 H new ATOM 0 HA SER 1 20 9.300 13.032 -12.983 1.00 0.00 H new ATOM 0 HB2 SER 1 20 9.310 12.879 -15.386 1.00 0.00 H new ATOM 0 HB3 SER 1 20 7.559 12.880 -15.472 1.00 0.00 H new ATOM 0 HG SER 1 20 7.730 14.981 -15.675 1.00 0.00 H new ATOM 265 N PRO 1 21 7.652 14.400 -11.669 1.00 0.00 N ATOM 266 CA PRO 1 21 6.711 15.217 -10.895 1.00 0.00 C ATOM 267 C PRO 1 21 5.781 16.042 -11.782 1.00 0.00 C ATOM 268 O PRO 1 21 4.662 16.369 -11.388 1.00 0.00 O ATOM 269 CB PRO 1 21 7.628 16.133 -10.088 1.00 0.00 C ATOM 270 CG PRO 1 21 8.880 15.348 -9.907 1.00 0.00 C ATOM 271 CD PRO 1 21 9.028 14.499 -11.143 1.00 0.00 C ATOM 0 HA PRO 1 21 6.046 14.604 -10.286 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.819 17.067 -10.616 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.182 16.394 -9.128 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.739 16.008 -9.783 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.824 14.727 -9.013 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.701 14.960 -11.867 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.438 13.517 -10.907 1.00 0.00 H new ATOM 279 N ALA 1 22 6.250 16.372 -12.982 1.00 0.00 N ATOM 280 CA ALA 1 22 5.457 17.154 -13.922 1.00 0.00 C ATOM 281 C ALA 1 22 4.493 16.258 -14.687 1.00 0.00 C ATOM 282 O ALA 1 22 3.401 16.681 -15.067 1.00 0.00 O ATOM 283 CB ALA 1 22 6.366 17.903 -14.885 1.00 0.00 C ATOM 0 H ALA 1 22 7.174 16.110 -13.325 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.873 17.881 -13.358 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 5.760 18.483 -15.581 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 7.016 18.574 -14.324 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.974 17.189 -15.441 1.00 0.00 H new ATOM 289 N ASN 1 23 4.903 15.013 -14.899 1.00 0.00 N ATOM 290 CA ASN 1 23 4.078 14.044 -15.606 1.00 0.00 C ATOM 291 C ASN 1 23 3.521 13.006 -14.636 1.00 0.00 C ATOM 292 O ASN 1 23 3.158 11.899 -15.033 1.00 0.00 O ATOM 293 CB ASN 1 23 4.888 13.353 -16.705 1.00 0.00 C ATOM 294 CG ASN 1 23 5.548 14.343 -17.645 1.00 0.00 C ATOM 295 OD1 ASN 1 23 6.047 15.384 -17.218 1.00 0.00 O ATOM 296 ND2 ASN 1 23 5.554 14.021 -18.933 1.00 0.00 N ATOM 0 H ASN 1 23 5.805 14.651 -14.590 1.00 0.00 H new ATOM 0 HA ASN 1 23 3.245 14.575 -16.065 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.652 12.724 -16.248 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.233 12.695 -17.276 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 5.984 14.647 -19.613 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 5.128 13.147 -19.242 1.00 0.00 H new ATOM 303 N CYS 1 24 3.465 13.374 -13.360 1.00 0.00 N ATOM 304 CA CYS 1 24 2.965 12.487 -12.324 1.00 0.00 C ATOM 305 C CYS 1 24 1.504 12.143 -12.565 1.00 0.00 C ATOM 306 O CYS 1 24 0.601 12.804 -12.051 1.00 0.00 O ATOM 307 CB CYS 1 24 3.143 13.129 -10.949 1.00 0.00 C ATOM 308 SG CYS 1 24 2.685 12.052 -9.549 1.00 0.00 S ATOM 0 H CYS 1 24 3.763 14.288 -13.020 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.540 11.562 -12.356 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 4.184 13.430 -10.834 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.542 14.037 -10.905 1.00 0.00 H new ATOM 313 N GLN 1 25 1.286 11.101 -13.353 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.063 10.649 -13.677 1.00 0.00 C ATOM 315 C GLN 1 25 -0.613 9.724 -12.591 1.00 0.00 C ATOM 316 O GLN 1 25 -1.187 8.676 -12.888 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.070 9.931 -15.028 1.00 0.00 C ATOM 318 CG GLN 1 25 0.859 8.729 -15.082 1.00 0.00 C ATOM 319 CD GLN 1 25 0.662 7.896 -16.333 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -0.410 7.332 -16.555 1.00 0.00 O ATOM 321 NE2 GLN 1 25 1.698 7.814 -17.159 1.00 0.00 N ATOM 0 H GLN 1 25 2.028 10.549 -13.783 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.706 11.527 -13.734 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.086 9.605 -15.252 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 0.217 10.637 -15.807 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.893 9.071 -15.037 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.691 8.105 -14.204 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 2.568 8.298 -16.936 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 1.624 7.267 -18.017 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.440 10.122 -11.334 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.925 9.337 -10.208 1.00 0.00 C ATOM 332 C ASP 1 26 -1.494 10.252 -9.131 1.00 0.00 C ATOM 333 O ASP 1 26 -0.759 10.784 -8.300 1.00 0.00 O ATOM 334 CB ASP 1 26 0.205 8.483 -9.628 1.00 0.00 C ATOM 335 CG ASP 1 26 -0.272 7.111 -9.194 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -1.468 6.976 -8.862 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.551 6.171 -9.188 1.00 0.00 O ATOM 0 H ASP 1 26 0.034 10.986 -11.071 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.717 8.677 -10.562 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.992 8.372 -10.374 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 0.645 8.999 -8.774 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.808 10.437 -9.157 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.479 11.294 -8.189 1.00 0.00 C ATOM 344 C ARG 1 27 -3.334 10.750 -6.770 1.00 0.00 C ATOM 345 O ARG 1 27 -3.503 11.483 -5.796 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.958 11.433 -8.549 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.691 12.479 -7.725 1.00 0.00 C ATOM 348 CD ARG 1 27 -7.135 12.077 -7.472 1.00 0.00 C ATOM 349 NE ARG 1 27 -7.802 11.637 -8.694 1.00 0.00 N ATOM 350 CZ ARG 1 27 -8.956 10.972 -8.711 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -9.572 10.670 -7.575 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -9.495 10.609 -9.867 1.00 0.00 N ATOM 0 H ARG 1 27 -3.431 10.004 -9.839 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.006 12.275 -8.223 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.043 11.690 -9.605 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.448 10.469 -8.415 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.179 12.618 -6.773 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.665 13.437 -8.244 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -7.164 11.275 -6.734 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -7.677 12.921 -7.047 1.00 0.00 H new ATOM 0 HE ARG 1 27 -7.358 11.851 -9.587 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -9.162 10.947 -6.683 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -10.456 10.161 -7.594 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -9.026 10.839 -10.743 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -10.379 10.100 -9.880 1.00 0.00 H new ATOM 366 N CYS 1 28 -3.021 9.462 -6.657 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.856 8.830 -5.353 1.00 0.00 C ATOM 368 C CYS 1 28 -1.377 8.700 -4.978 1.00 0.00 C ATOM 369 O CYS 1 28 -1.048 8.304 -3.860 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.524 7.452 -5.346 1.00 0.00 C ATOM 371 SG CYS 1 28 -4.505 7.110 -3.848 1.00 0.00 S ATOM 0 H CYS 1 28 -2.877 8.838 -7.451 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.336 9.466 -4.609 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -4.172 7.369 -6.219 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.755 6.686 -5.447 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.490 9.037 -5.914 1.00 0.00 N ATOM 377 CA CYS 1 29 0.948 8.955 -5.670 1.00 0.00 C ATOM 378 C CYS 1 29 1.664 10.191 -6.209 1.00 0.00 C ATOM 379 O CYS 1 29 1.503 10.551 -7.374 1.00 0.00 O ATOM 380 CB CYS 1 29 1.527 7.700 -6.323 1.00 0.00 C ATOM 381 SG CYS 1 29 0.841 6.136 -5.689 1.00 0.00 S ATOM 0 H CYS 1 29 -0.742 9.368 -6.845 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.103 8.904 -4.592 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.351 7.750 -7.398 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.607 7.695 -6.177 1.00 0.00 H new ATOM 386 N ASN 1 30 2.455 10.837 -5.357 1.00 0.00 N ATOM 387 CA ASN 1 30 3.193 12.033 -5.753 1.00 0.00 C ATOM 388 C ASN 1 30 4.698 11.773 -5.774 1.00 0.00 C ATOM 389 O ASN 1 30 5.262 11.235 -4.817 1.00 0.00 O ATOM 390 CB ASN 1 30 2.871 13.189 -4.803 1.00 0.00 C ATOM 391 CG ASN 1 30 3.599 14.467 -5.174 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.510 14.939 -6.308 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.323 15.034 -4.217 1.00 0.00 N ATOM 0 H ASN 1 30 2.602 10.553 -4.388 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.883 12.302 -6.763 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 1.796 13.372 -4.810 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.139 12.904 -3.786 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 4.834 15.896 -4.407 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.368 14.608 -3.291 1.00 0.00 H new ATOM 400 N ALA 1 31 5.341 12.164 -6.875 1.00 0.00 N ATOM 401 CA ALA 1 31 6.782 11.983 -7.031 1.00 0.00 C ATOM 402 C ALA 1 31 7.556 12.962 -6.159 1.00 0.00 C ATOM 403 O ALA 1 31 8.547 12.600 -5.525 1.00 0.00 O ATOM 404 CB ALA 1 31 7.180 12.163 -8.488 1.00 0.00 C ATOM 0 H ALA 1 31 4.885 12.608 -7.672 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.030 10.970 -6.713 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.256 12.026 -8.591 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.660 11.427 -9.101 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.909 13.166 -8.818 1.00 0.00 H new ATOM 410 N ALA 1 32 7.096 14.207 -6.139 1.00 0.00 N ATOM 411 CA ALA 1 32 7.740 15.255 -5.352 1.00 0.00 C ATOM 412 C ALA 1 32 7.887 14.853 -3.885 1.00 0.00 C ATOM 413 O ALA 1 32 8.664 15.457 -3.146 1.00 0.00 O ATOM 414 CB ALA 1 32 6.954 16.553 -5.467 1.00 0.00 C ATOM 0 H ALA 1 32 6.276 14.518 -6.660 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.742 15.404 -5.754 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.443 17.328 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.915 16.863 -6.511 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 5.941 16.399 -5.096 1.00 0.00 H new ATOM 420 N THR 1 33 7.140 13.835 -3.467 1.00 0.00 N ATOM 421 CA THR 1 33 7.194 13.367 -2.089 1.00 0.00 C ATOM 422 C THR 1 33 7.597 11.902 -2.026 1.00 0.00 C ATOM 423 O THR 1 33 8.017 11.409 -0.979 1.00 0.00 O ATOM 424 CB THR 1 33 5.827 13.536 -1.421 1.00 0.00 C ATOM 425 OG1 THR 1 33 5.923 13.328 -0.023 1.00 0.00 O ATOM 426 CG2 THR 1 33 4.777 12.579 -1.957 1.00 0.00 C ATOM 0 H THR 1 33 6.492 13.320 -4.063 1.00 0.00 H new ATOM 0 HA THR 1 33 7.940 13.963 -1.564 1.00 0.00 H new ATOM 0 HB THR 1 33 5.518 14.556 -1.648 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.040 13.442 0.386 1.00 0.00 H new ATOM 0 HG21 THR 1 33 3.832 12.751 -1.442 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.644 12.746 -3.026 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.101 11.552 -1.788 1.00 0.00 H new ATOM 434 N CYS 1 34 7.429 11.197 -3.139 1.00 0.00 N ATOM 435 CA CYS 1 34 7.736 9.782 -3.183 1.00 0.00 C ATOM 436 C CYS 1 34 6.858 9.063 -2.168 1.00 0.00 C ATOM 437 O CYS 1 34 7.315 8.186 -1.440 1.00 0.00 O ATOM 438 CB CYS 1 34 9.217 9.528 -2.877 1.00 0.00 C ATOM 439 SG CYS 1 34 10.282 9.388 -4.351 1.00 0.00 S ATOM 0 H CYS 1 34 7.083 11.585 -4.017 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.538 9.403 -4.186 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.590 10.339 -2.251 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.302 8.611 -2.295 1.00 0.00 H new ATOM 444 N LYS 1 35 5.593 9.468 -2.112 1.00 0.00 N ATOM 445 CA LYS 1 35 4.647 8.883 -1.169 1.00 0.00 C ATOM 446 C LYS 1 35 3.207 9.211 -1.560 1.00 0.00 C ATOM 447 O LYS 1 35 2.964 10.039 -2.438 1.00 0.00 O ATOM 448 CB LYS 1 35 4.958 9.377 0.255 1.00 0.00 C ATOM 449 CG LYS 1 35 4.110 10.554 0.729 1.00 0.00 C ATOM 450 CD LYS 1 35 3.013 10.105 1.682 1.00 0.00 C ATOM 451 CE LYS 1 35 3.547 9.904 3.090 1.00 0.00 C ATOM 452 NZ LYS 1 35 3.990 8.501 3.321 1.00 0.00 N ATOM 0 H LYS 1 35 5.200 10.197 -2.707 1.00 0.00 H new ATOM 0 HA LYS 1 35 4.753 7.799 -1.195 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 4.822 8.548 0.949 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.009 9.663 0.303 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 4.747 11.286 1.226 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 3.664 11.052 -0.132 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 2.216 10.848 1.697 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 2.575 9.174 1.322 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 4.383 10.582 3.261 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 2.773 10.164 3.812 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 3.816 8.241 4.313 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 3.458 7.862 2.697 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 5.006 8.419 3.115 1.00 0.00 H new ATOM 466 N LEU 1 36 2.257 8.555 -0.900 1.00 0.00 N ATOM 467 CA LEU 1 36 0.841 8.775 -1.175 1.00 0.00 C ATOM 468 C LEU 1 36 0.476 10.248 -1.024 1.00 0.00 C ATOM 469 O LEU 1 36 0.839 10.890 -0.038 1.00 0.00 O ATOM 470 CB LEU 1 36 -0.018 7.926 -0.236 1.00 0.00 C ATOM 471 CG LEU 1 36 0.212 6.415 -0.336 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.560 5.833 1.026 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -1.016 5.724 -0.913 1.00 0.00 C ATOM 0 H LEU 1 36 2.442 7.866 -0.171 1.00 0.00 H new ATOM 0 HA LEU 1 36 0.647 8.478 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 0.173 8.240 0.790 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -1.068 8.133 -0.442 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.053 6.242 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.719 4.759 0.933 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.469 6.303 1.401 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.259 6.019 1.721 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.834 4.651 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.874 5.909 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -1.220 6.117 -1.909 1.00 0.00 H new ATOM 485 N THR 1 37 -0.244 10.778 -2.007 1.00 0.00 N ATOM 486 CA THR 1 37 -0.659 12.176 -1.983 1.00 0.00 C ATOM 487 C THR 1 37 -1.484 12.479 -0.734 1.00 0.00 C ATOM 488 O THR 1 37 -1.992 11.568 -0.081 1.00 0.00 O ATOM 489 CB THR 1 37 -1.469 12.510 -3.237 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.188 11.375 -3.685 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.616 12.998 -4.388 1.00 0.00 C ATOM 0 H THR 1 37 -0.552 10.261 -2.830 1.00 0.00 H new ATOM 0 HA THR 1 37 0.238 12.795 -1.962 1.00 0.00 H new ATOM 0 HB THR 1 37 -2.144 13.313 -2.941 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.335 11.441 -4.652 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -1.253 13.217 -5.245 1.00 0.00 H new ATOM 0 HG22 THR 1 37 -0.085 13.902 -4.090 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.105 12.227 -4.659 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.628 13.769 -0.385 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.397 14.186 0.793 1.00 0.00 C ATOM 501 C PRO 1 38 -3.879 13.853 0.662 1.00 0.00 C ATOM 502 O PRO 1 38 -4.569 14.376 -0.214 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.192 15.704 0.841 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.820 16.086 -0.550 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.057 14.919 -1.108 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.066 13.672 1.696 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.100 16.215 1.161 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -1.408 15.974 1.548 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -2.707 16.294 -1.148 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -1.211 16.990 -0.557 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.194 14.826 -2.185 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.014 15.016 -0.930 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.363 12.979 1.539 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.761 12.591 1.505 1.00 0.00 C ATOM 515 C GLY 1 39 -5.946 11.106 1.257 1.00 0.00 C ATOM 516 O GLY 1 39 -6.956 10.525 1.654 1.00 0.00 O ATOM 0 H GLY 1 39 -3.812 12.533 2.272 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.232 12.860 2.450 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.272 13.153 0.723 1.00 0.00 H new ATOM 520 N SER 1 40 -4.969 10.491 0.597 1.00 0.00 N ATOM 521 CA SER 1 40 -5.029 9.066 0.296 1.00 0.00 C ATOM 522 C SER 1 40 -3.954 8.302 1.061 1.00 0.00 C ATOM 523 O SER 1 40 -2.861 8.817 1.297 1.00 0.00 O ATOM 524 CB SER 1 40 -4.864 8.834 -1.207 1.00 0.00 C ATOM 525 OG SER 1 40 -5.326 9.950 -1.949 1.00 0.00 O ATOM 0 H SER 1 40 -4.127 10.958 0.261 1.00 0.00 H new ATOM 0 HA SER 1 40 -6.005 8.695 0.609 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -3.815 8.650 -1.437 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -5.416 7.942 -1.503 1.00 0.00 H new ATOM 0 HG SER 1 40 -5.065 9.849 -2.888 1.00 0.00 H new ATOM 531 N GLN 1 41 -4.272 7.071 1.447 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.334 6.235 2.188 1.00 0.00 C ATOM 533 C GLN 1 41 -2.898 5.028 1.361 1.00 0.00 C ATOM 534 O GLN 1 41 -1.791 4.519 1.528 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.967 5.765 3.499 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.895 6.796 4.613 1.00 0.00 C ATOM 537 CD GLN 1 41 -2.522 6.870 5.251 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.184 6.066 6.120 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -1.721 7.838 4.821 1.00 0.00 N ATOM 0 H GLN 1 41 -5.172 6.630 1.259 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.451 6.835 2.409 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -5.011 5.510 3.318 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -3.469 4.853 3.827 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -4.160 7.775 4.214 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.634 6.553 5.377 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -2.042 8.483 4.099 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -0.785 7.937 5.213 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.776 4.573 0.473 1.00 0.00 N ATOM 549 CA CYS 1 42 -3.480 3.422 -0.373 1.00 0.00 C ATOM 550 C CYS 1 42 -3.320 3.832 -1.833 1.00 0.00 C ATOM 551 O CYS 1 42 -3.380 5.012 -2.177 1.00 0.00 O ATOM 552 CB CYS 1 42 -4.587 2.369 -0.246 1.00 0.00 C ATOM 553 SG CYS 1 42 -5.896 2.461 -1.519 1.00 0.00 S ATOM 0 H CYS 1 42 -4.697 4.983 0.321 1.00 0.00 H new ATOM 0 HA CYS 1 42 -2.536 2.995 -0.034 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -4.132 1.379 -0.286 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -5.050 2.467 0.736 1.00 0.00 H new ATOM 558 N ASN 1 43 -3.134 2.829 -2.679 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.980 3.020 -4.116 1.00 0.00 C ATOM 560 C ASN 1 43 -2.614 1.691 -4.771 1.00 0.00 C ATOM 561 O ASN 1 43 -2.972 1.429 -5.920 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.922 4.084 -4.418 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.614 4.191 -5.900 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -2.324 4.866 -6.647 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.551 3.523 -6.334 1.00 0.00 N ATOM 0 H ASN 1 43 -3.085 1.853 -2.387 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.926 3.371 -4.528 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -2.268 5.050 -4.051 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -1.007 3.846 -3.876 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -0.295 3.557 -7.321 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 0.009 2.976 -5.680 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.911 0.851 -4.016 1.00 0.00 N ATOM 573 CA TYR 1 44 -1.503 -0.463 -4.491 1.00 0.00 C ATOM 574 C TYR 1 44 -1.251 -1.388 -3.298 1.00 0.00 C ATOM 575 O TYR 1 44 -0.413 -1.098 -2.444 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.256 -0.343 -5.384 1.00 0.00 C ATOM 577 CG TYR 1 44 1.000 -0.959 -4.802 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.131 -2.336 -4.689 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.051 -0.161 -4.368 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.271 -2.903 -4.158 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.197 -0.720 -3.836 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.302 -2.092 -3.732 1.00 0.00 C ATOM 583 OH TYR 1 44 4.441 -2.653 -3.203 1.00 0.00 O ATOM 0 H TYR 1 44 -1.611 1.062 -3.064 1.00 0.00 H new ATOM 0 HA TYR 1 44 -2.301 -0.895 -5.094 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -0.466 -0.816 -6.343 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.068 0.712 -5.583 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.327 -2.975 -5.023 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 1.971 0.913 -4.448 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 2.356 -3.977 -4.076 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.006 -0.087 -3.503 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.069 -1.944 -2.953 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.984 -2.495 -3.243 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.826 -3.436 -2.148 1.00 0.00 C ATOM 595 C GLY 1 45 -3.152 -3.983 -1.649 1.00 0.00 C ATOM 596 O GLY 1 45 -4.216 -3.475 -2.003 1.00 0.00 O ATOM 0 H GLY 1 45 -2.684 -2.758 -3.936 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -1.196 -4.264 -2.474 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -1.307 -2.945 -1.325 1.00 0.00 H new ATOM 600 N GLU 1 46 -3.083 -5.029 -0.831 1.00 0.00 N ATOM 601 CA GLU 1 46 -4.279 -5.666 -0.287 1.00 0.00 C ATOM 602 C GLU 1 46 -5.112 -4.703 0.556 1.00 0.00 C ATOM 603 O GLU 1 46 -6.335 -4.652 0.425 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.881 -6.874 0.562 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.033 -8.204 -0.158 1.00 0.00 C ATOM 606 CD GLU 1 46 -5.424 -8.404 -0.728 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -6.389 -8.443 0.063 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -5.547 -8.521 -1.965 1.00 0.00 O ATOM 0 H GLU 1 46 -2.207 -5.456 -0.529 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.892 -5.984 -1.130 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.844 -6.759 0.878 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.490 -6.888 1.466 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -3.302 -8.262 -0.965 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.808 -9.015 0.534 1.00 0.00 H new ATOM 615 N CYS 1 47 -4.451 -3.958 1.435 1.00 0.00 N ATOM 616 CA CYS 1 47 -5.145 -3.019 2.311 1.00 0.00 C ATOM 617 C CYS 1 47 -5.739 -1.847 1.534 1.00 0.00 C ATOM 618 O CYS 1 47 -6.584 -1.121 2.052 1.00 0.00 O ATOM 619 CB CYS 1 47 -4.194 -2.498 3.391 1.00 0.00 C ATOM 620 SG CYS 1 47 -4.970 -2.270 5.026 1.00 0.00 S ATOM 0 H CYS 1 47 -3.439 -3.985 1.560 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.967 -3.559 2.780 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -3.360 -3.193 3.491 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -3.777 -1.546 3.063 1.00 0.00 H new ATOM 625 N CYS 1 48 -5.289 -1.649 0.301 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.779 -0.546 -0.509 1.00 0.00 C ATOM 627 C CYS 1 48 -7.242 -0.721 -0.912 1.00 0.00 C ATOM 628 O CYS 1 48 -7.639 -1.759 -1.441 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.920 -0.391 -1.762 1.00 0.00 C ATOM 630 SG CYS 1 48 -5.439 0.983 -2.835 1.00 0.00 S ATOM 0 H CYS 1 48 -4.590 -2.235 -0.156 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.711 0.352 0.104 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.883 -0.237 -1.465 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.953 -1.319 -2.332 1.00 0.00 H new ATOM 635 N ASP 1 49 -8.027 0.328 -0.672 1.00 0.00 N ATOM 636 CA ASP 1 49 -9.443 0.339 -1.017 1.00 0.00 C ATOM 637 C ASP 1 49 -9.932 1.776 -1.191 1.00 0.00 C ATOM 638 O ASP 1 49 -10.100 2.507 -0.216 1.00 0.00 O ATOM 639 CB ASP 1 49 -10.266 -0.371 0.062 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.664 -1.778 -0.340 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.489 -2.132 -1.526 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.153 -2.528 0.531 1.00 0.00 O ATOM 0 H ASP 1 49 -7.699 1.189 -0.235 1.00 0.00 H new ATOM 0 HA ASP 1 49 -9.573 -0.195 -1.958 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.690 -0.410 0.986 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -11.164 0.211 0.271 1.00 0.00 H new ATOM 647 N GLN 1 50 -10.150 2.176 -2.442 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.612 3.528 -2.747 1.00 0.00 C ATOM 649 C GLN 1 50 -9.555 4.563 -2.366 1.00 0.00 C ATOM 650 O GLN 1 50 -9.870 5.609 -1.800 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.922 3.822 -2.012 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.658 5.041 -2.544 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.750 4.677 -3.531 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -13.604 4.876 -4.737 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.853 4.141 -3.022 1.00 0.00 N ATOM 0 H GLN 1 50 -10.014 1.583 -3.261 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.786 3.592 -3.821 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -12.575 2.952 -2.088 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.710 3.970 -0.953 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -13.095 5.590 -1.710 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -11.945 5.710 -3.027 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -14.931 3.994 -2.016 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -15.622 3.876 -3.637 1.00 0.00 H new ATOM 664 N CYS 1 51 -8.300 4.256 -2.675 1.00 0.00 N ATOM 665 CA CYS 1 51 -7.188 5.151 -2.360 1.00 0.00 C ATOM 666 C CYS 1 51 -7.048 5.335 -0.848 1.00 0.00 C ATOM 667 O CYS 1 51 -6.409 6.280 -0.385 1.00 0.00 O ATOM 668 CB CYS 1 51 -7.370 6.507 -3.045 1.00 0.00 C ATOM 669 SG CYS 1 51 -6.368 6.716 -4.555 1.00 0.00 S ATOM 0 H CYS 1 51 -8.025 3.393 -3.144 1.00 0.00 H new ATOM 0 HA CYS 1 51 -6.273 4.694 -2.737 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -8.422 6.636 -3.299 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -7.113 7.297 -2.339 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.642 4.418 -0.085 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.579 4.468 1.372 1.00 0.00 C ATOM 676 C ARG 1 52 -7.383 3.065 1.942 1.00 0.00 C ATOM 677 O ARG 1 52 -8.087 2.129 1.562 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.855 5.092 1.940 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.752 6.592 2.162 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.307 6.917 3.579 1.00 0.00 C ATOM 681 NE ARG 1 52 -7.379 8.045 3.617 1.00 0.00 N ATOM 682 CZ ARG 1 52 -6.770 8.467 4.722 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -6.988 7.859 5.882 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -5.941 9.501 4.669 1.00 0.00 N ATOM 0 H ARG 1 52 -8.173 3.630 -0.455 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.729 5.087 1.660 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.682 4.890 1.260 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -9.096 4.609 2.887 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -8.045 7.018 1.451 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.719 7.057 1.968 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -9.180 7.146 4.190 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -7.831 6.041 4.019 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.187 8.538 2.745 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -7.625 7.064 5.929 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -6.518 8.187 6.726 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -5.770 9.973 3.781 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -5.474 9.824 5.516 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.419 2.921 2.846 1.00 0.00 N ATOM 699 CA PHE 1 53 -6.133 1.624 3.452 1.00 0.00 C ATOM 700 C PHE 1 53 -7.332 1.090 4.216 1.00 0.00 C ATOM 701 O PHE 1 53 -8.102 1.852 4.801 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.929 1.713 4.394 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.613 1.813 3.682 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.419 1.174 2.468 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.571 2.545 4.225 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -2.214 1.263 1.809 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.359 2.638 3.569 1.00 0.00 C ATOM 708 CZ PHE 1 53 -1.179 1.997 2.358 1.00 0.00 C ATOM 0 H PHE 1 53 -5.825 3.682 3.174 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.903 0.936 2.639 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.049 2.582 5.041 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.917 0.834 5.039 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -4.223 0.599 2.033 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.707 3.048 5.171 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -2.077 0.760 0.863 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.553 3.211 4.002 1.00 0.00 H new ATOM 0 HZ PHE 1 53 -0.233 2.069 1.842 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.470 -0.228 4.221 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.562 -0.872 4.931 1.00 0.00 C ATOM 720 C LYS 1 54 -8.306 -0.804 6.431 1.00 0.00 C ATOM 721 O LYS 1 54 -7.361 -1.411 6.931 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.710 -2.327 4.478 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.882 -2.557 3.538 1.00 0.00 C ATOM 724 CD LYS 1 54 -9.597 -3.684 2.557 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.664 -3.234 1.445 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.923 -3.964 0.173 1.00 0.00 N ATOM 0 H LYS 1 54 -6.839 -0.870 3.741 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.492 -0.350 4.705 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.791 -2.639 3.982 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.830 -2.961 5.356 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.774 -2.795 4.118 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -10.094 -1.640 2.989 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -9.152 -4.526 3.088 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -10.534 -4.038 2.126 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -8.785 -2.163 1.280 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -7.630 -3.394 1.751 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -8.669 -3.358 -0.633 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -8.350 -4.831 0.148 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.931 -4.213 0.115 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.142 -0.048 7.138 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.005 0.122 8.584 1.00 0.00 C ATOM 742 C LYS 1 55 -8.538 -1.163 9.260 1.00 0.00 C ATOM 743 O LYS 1 55 -9.109 -2.237 9.045 1.00 0.00 O ATOM 744 CB LYS 1 55 -10.335 0.572 9.191 1.00 0.00 C ATOM 745 CG LYS 1 55 -10.249 0.893 10.674 1.00 0.00 C ATOM 746 CD LYS 1 55 -11.360 1.837 11.105 1.00 0.00 C ATOM 747 CE LYS 1 55 -10.899 3.286 11.081 1.00 0.00 C ATOM 748 NZ LYS 1 55 -12.017 4.219 10.770 1.00 0.00 N ATOM 0 H LYS 1 55 -9.927 0.460 6.731 1.00 0.00 H new ATOM 0 HA LYS 1 55 -8.248 0.888 8.755 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -10.689 1.454 8.657 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.077 -0.212 9.040 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -10.310 -0.030 11.251 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -9.281 1.344 10.894 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -12.219 1.716 10.445 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -11.692 1.576 12.110 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -10.468 3.546 12.048 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -10.110 3.404 10.338 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -11.662 5.196 10.763 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -12.413 3.988 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -12.759 4.125 11.493 1.00 0.00 H new ATOM 762 N ALA 1 56 -7.491 -1.046 10.077 1.00 0.00 N ATOM 763 CA ALA 1 56 -6.944 -2.195 10.787 1.00 0.00 C ATOM 764 C ALA 1 56 -8.064 -3.072 11.320 1.00 0.00 C ATOM 765 O ALA 1 56 -9.003 -2.586 11.950 1.00 0.00 O ATOM 766 CB ALA 1 56 -6.045 -1.752 11.927 1.00 0.00 C ATOM 0 H ALA 1 56 -7.007 -0.167 10.261 1.00 0.00 H new ATOM 0 HA ALA 1 56 -6.347 -2.772 10.081 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -5.650 -2.629 12.440 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -5.219 -1.161 11.531 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -6.619 -1.148 12.630 1.00 0.00 H new ATOM 772 N GLY 1 57 -7.973 -4.358 11.041 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.004 -5.276 11.477 1.00 0.00 C ATOM 774 C GLY 1 57 -9.716 -5.910 10.302 1.00 0.00 C ATOM 775 O GLY 1 57 -10.448 -6.886 10.462 1.00 0.00 O ATOM 0 H GLY 1 57 -7.206 -4.785 10.521 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -8.561 -6.054 12.098 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -9.726 -4.746 12.098 1.00 0.00 H new ATOM 779 N THR 1 58 -9.486 -5.360 9.111 1.00 0.00 N ATOM 780 CA THR 1 58 -10.090 -5.890 7.899 1.00 0.00 C ATOM 781 C THR 1 58 -9.312 -7.115 7.425 1.00 0.00 C ATOM 782 O THR 1 58 -8.205 -6.992 6.900 1.00 0.00 O ATOM 783 CB THR 1 58 -10.103 -4.822 6.805 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.831 -3.682 7.224 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.711 -5.305 5.510 1.00 0.00 C ATOM 0 H THR 1 58 -8.886 -4.549 8.964 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.118 -6.182 8.115 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.056 -4.576 6.628 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.293 -3.166 7.860 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.690 -4.500 4.776 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -10.140 -6.154 5.134 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.743 -5.610 5.684 1.00 0.00 H new ATOM 793 N VAL 1 59 -9.887 -8.296 7.626 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.235 -9.536 7.232 1.00 0.00 C ATOM 795 C VAL 1 59 -8.961 -9.575 5.734 1.00 0.00 C ATOM 796 O VAL 1 59 -9.879 -9.479 4.920 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.077 -10.770 7.618 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.440 -10.720 6.946 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.345 -12.056 7.258 1.00 0.00 C ATOM 0 H VAL 1 59 -10.802 -8.419 8.059 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.288 -9.567 7.770 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.228 -10.756 8.697 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.019 -11.599 7.231 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -11.968 -9.820 7.261 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.312 -10.705 5.864 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.956 -12.914 7.539 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.158 -12.080 6.184 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.396 -12.096 7.793 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.691 -9.732 5.381 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.294 -9.802 3.978 1.00 0.00 C ATOM 811 C CYS 1 60 -6.906 -11.227 3.603 1.00 0.00 C ATOM 812 O CYS 1 60 -7.022 -11.631 2.446 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.113 -8.870 3.690 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.068 -7.352 4.695 1.00 0.00 S ATOM 0 H CYS 1 60 -6.920 -9.813 6.044 1.00 0.00 H new ATOM 0 HA CYS 1 60 -8.149 -9.486 3.380 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.187 -9.422 3.850 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -6.139 -8.590 2.637 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.435 -11.980 4.591 1.00 0.00 N ATOM 820 CA ARG 1 61 -6.016 -13.362 4.368 1.00 0.00 C ATOM 821 C ARG 1 61 -6.143 -14.198 5.638 1.00 0.00 C ATOM 822 O ARG 1 61 -6.381 -13.673 6.725 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.571 -13.406 3.865 1.00 0.00 C ATOM 824 CG ARG 1 61 -4.281 -12.399 2.765 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.870 -12.556 2.217 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.851 -12.341 3.244 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.621 -11.902 2.990 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -0.243 -11.636 1.745 1.00 0.00 N ATOM 829 NH2 ARG 1 61 0.239 -11.734 3.985 1.00 0.00 N ATOM 0 H ARG 1 61 -6.333 -11.659 5.554 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.677 -13.787 3.612 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.898 -13.222 4.702 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -4.354 -14.408 3.496 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -5.002 -12.525 1.957 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -4.411 -11.389 3.153 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.754 -13.555 1.797 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.718 -11.848 1.403 1.00 0.00 H new ATOM 0 HE ARG 1 61 -2.098 -12.540 4.213 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -0.898 -11.768 0.974 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 0.702 -11.300 1.560 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.043 -11.941 4.943 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 1.182 -11.398 3.792 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.975 -15.507 5.482 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.056 -16.446 6.595 1.00 0.00 C ATOM 845 C ILE 1 62 -5.295 -17.719 6.256 1.00 0.00 C ATOM 846 O ILE 1 62 -5.537 -18.340 5.220 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.511 -16.832 6.949 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.429 -15.608 6.960 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.554 -17.529 8.300 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.791 -15.111 5.581 1.00 0.00 C ATOM 0 H ILE 1 62 -5.779 -15.946 4.582 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.618 -15.942 7.457 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.872 -17.515 6.180 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.343 -15.855 7.500 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.941 -14.804 7.511 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -8.583 -17.796 8.539 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -6.944 -18.432 8.263 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.165 -16.859 9.067 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -9.443 -14.242 5.667 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -7.884 -14.832 5.045 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -9.308 -15.900 5.034 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.373 -18.101 7.127 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.568 -19.302 6.918 1.00 0.00 C ATOM 864 C ALA 1 63 -4.429 -20.482 6.480 1.00 0.00 C ATOM 865 O ALA 1 63 -4.352 -20.925 5.334 1.00 0.00 O ATOM 866 CB ALA 1 63 -2.790 -19.647 8.180 1.00 0.00 C ATOM 0 H ALA 1 63 -4.161 -17.597 7.988 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.860 -19.093 6.116 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.196 -20.544 8.007 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.130 -18.819 8.439 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -3.486 -19.825 8.999 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.251 -20.982 7.395 1.00 0.00 N ATOM 873 CA ARG 1 64 -6.130 -22.111 7.094 1.00 0.00 C ATOM 874 C ARG 1 64 -6.939 -22.530 8.319 1.00 0.00 C ATOM 875 O ARG 1 64 -6.732 -23.609 8.875 1.00 0.00 O ATOM 876 CB ARG 1 64 -5.316 -23.302 6.576 1.00 0.00 C ATOM 877 CG ARG 1 64 -5.986 -24.045 5.432 1.00 0.00 C ATOM 878 CD ARG 1 64 -6.063 -23.186 4.179 1.00 0.00 C ATOM 879 NE ARG 1 64 -7.243 -23.495 3.376 1.00 0.00 N ATOM 880 CZ ARG 1 64 -7.735 -22.686 2.440 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -7.153 -21.521 2.187 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -8.812 -23.044 1.754 1.00 0.00 N ATOM 0 H ARG 1 64 -5.329 -20.627 8.348 1.00 0.00 H new ATOM 0 HA ARG 1 64 -6.826 -21.788 6.320 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -4.339 -22.948 6.246 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -5.142 -23.997 7.397 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -5.431 -24.958 5.215 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -6.990 -24.346 5.731 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -6.082 -22.133 4.462 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -5.166 -23.339 3.579 1.00 0.00 H new ATOM 0 HE ARG 1 64 -7.718 -24.382 3.542 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -6.324 -21.241 2.711 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -7.535 -20.906 1.469 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -9.263 -23.939 1.944 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -9.189 -22.424 1.037 1.00 0.00 H new ATOM 896 N GLY 1 65 -7.868 -21.675 8.731 1.00 0.00 N ATOM 897 CA GLY 1 65 -8.694 -21.982 9.882 1.00 0.00 C ATOM 898 C GLY 1 65 -9.101 -20.745 10.654 1.00 0.00 C ATOM 899 O GLY 1 65 -9.865 -19.917 10.157 1.00 0.00 O ATOM 0 H GLY 1 65 -8.063 -20.777 8.289 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.588 -22.510 9.552 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.151 -22.657 10.544 1.00 0.00 H new ATOM 903 N ASP 1 66 -8.588 -20.620 11.872 1.00 0.00 N ATOM 904 CA ASP 1 66 -8.900 -19.474 12.718 1.00 0.00 C ATOM 905 C ASP 1 66 -7.990 -19.435 13.940 1.00 0.00 C ATOM 906 O ASP 1 66 -8.367 -19.875 15.026 1.00 0.00 O ATOM 907 CB ASP 1 66 -10.364 -19.520 13.158 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.278 -18.770 12.209 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -10.936 -17.628 11.834 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.334 -19.324 11.840 1.00 0.00 O ATOM 0 H ASP 1 66 -7.954 -21.298 12.296 1.00 0.00 H new ATOM 0 HA ASP 1 66 -8.733 -18.569 12.135 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -10.688 -20.559 13.225 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -10.454 -19.093 14.157 1.00 0.00 H new ATOM 915 N TRP 1 67 -6.789 -18.906 13.749 1.00 0.00 N ATOM 916 CA TRP 1 67 -5.809 -18.802 14.826 1.00 0.00 C ATOM 917 C TRP 1 67 -5.432 -17.346 15.057 1.00 0.00 C ATOM 918 O TRP 1 67 -5.779 -16.750 16.077 1.00 0.00 O ATOM 919 CB TRP 1 67 -4.557 -19.619 14.481 1.00 0.00 C ATOM 920 CG TRP 1 67 -4.559 -20.149 13.081 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -4.413 -19.432 11.929 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -4.727 -21.512 12.686 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -4.483 -20.266 10.843 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -4.672 -21.549 11.282 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -4.916 -22.703 13.386 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -4.802 -22.733 10.564 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.044 -23.881 12.674 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -4.986 -23.888 11.274 1.00 0.00 C ATOM 0 H TRP 1 67 -6.467 -18.540 12.853 1.00 0.00 H new ATOM 0 HA TRP 1 67 -6.251 -19.200 15.739 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -3.675 -18.995 14.624 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -4.474 -20.454 15.177 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -4.264 -18.363 11.880 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.407 -19.978 9.868 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -4.962 -22.705 14.465 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -4.759 -22.740 9.485 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -5.191 -24.810 13.205 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.089 -24.824 10.745 1.00 0.00 H new ATOM 939 N ASN 1 68 -4.732 -16.782 14.086 1.00 0.00 N ATOM 940 CA ASN 1 68 -4.305 -15.390 14.144 1.00 0.00 C ATOM 941 C ASN 1 68 -5.022 -14.580 13.069 1.00 0.00 C ATOM 942 O ASN 1 68 -5.398 -13.429 13.288 1.00 0.00 O ATOM 943 CB ASN 1 68 -2.789 -15.279 13.957 1.00 0.00 C ATOM 944 CG ASN 1 68 -2.032 -16.409 14.628 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -1.471 -16.240 15.711 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -2.012 -17.571 13.985 1.00 0.00 N ATOM 0 H ASN 1 68 -4.444 -17.272 13.239 1.00 0.00 H new ATOM 0 HA ASN 1 68 -4.562 -14.992 15.126 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -2.558 -15.275 12.892 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -2.446 -14.327 14.362 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -1.518 -18.368 14.387 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -2.491 -17.667 13.089 1.00 0.00 H new ATOM 953 N ASP 1 69 -5.216 -15.203 11.909 1.00 0.00 N ATOM 954 CA ASP 1 69 -5.898 -14.560 10.792 1.00 0.00 C ATOM 955 C ASP 1 69 -5.140 -13.332 10.308 1.00 0.00 C ATOM 956 O ASP 1 69 -4.569 -12.586 11.104 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.314 -14.157 11.199 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.321 -15.267 10.969 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.134 -16.365 11.532 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.299 -15.036 10.226 1.00 0.00 O ATOM 0 H ASP 1 69 -4.908 -16.157 11.719 1.00 0.00 H new ATOM 0 HA ASP 1 69 -5.942 -15.280 9.975 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.320 -13.877 12.252 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -7.614 -13.275 10.633 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.151 -13.119 8.996 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.477 -11.971 8.408 1.00 0.00 C ATOM 967 C ASP 1 70 -5.364 -10.741 8.499 1.00 0.00 C ATOM 968 O ASP 1 70 -6.547 -10.796 8.160 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.114 -12.250 6.951 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.024 -11.334 6.447 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.098 -10.123 6.732 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.099 -11.828 5.769 1.00 0.00 O ATOM 0 H ASP 1 70 -5.619 -13.726 8.323 1.00 0.00 H new ATOM 0 HA ASP 1 70 -3.558 -11.787 8.965 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.790 -13.286 6.851 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.001 -12.132 6.329 1.00 0.00 H new ATOM 977 N TYR 1 71 -4.805 -9.636 8.983 1.00 0.00 N ATOM 978 CA TYR 1 71 -5.589 -8.423 9.142 1.00 0.00 C ATOM 979 C TYR 1 71 -4.847 -7.160 8.743 1.00 0.00 C ATOM 980 O TYR 1 71 -3.637 -7.041 8.924 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.038 -8.305 10.588 1.00 0.00 C ATOM 982 CG TYR 1 71 -7.252 -9.133 10.877 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -8.489 -8.739 10.410 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -7.161 -10.308 11.602 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -9.616 -9.487 10.655 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -8.280 -11.071 11.856 1.00 0.00 C ATOM 987 CZ TYR 1 71 -9.510 -10.658 11.380 1.00 0.00 C ATOM 988 OH TYR 1 71 -10.632 -11.414 11.631 1.00 0.00 O ATOM 0 H TYR 1 71 -3.828 -9.558 9.267 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.441 -8.510 8.468 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -5.225 -8.615 11.245 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -6.251 -7.261 10.816 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -8.574 -7.825 9.841 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -6.200 -10.631 11.974 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -10.577 -9.162 10.284 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -8.196 -11.986 12.424 1.00 0.00 H new ATOM 0 HH TYR 1 71 -10.383 -12.206 12.152 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.613 -6.208 8.226 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.081 -4.919 7.818 1.00 0.00 C ATOM 1000 C CYS 1 72 -4.562 -4.158 9.033 1.00 0.00 C ATOM 1001 O CYS 1 72 -4.920 -4.469 10.169 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.175 -4.104 7.129 1.00 0.00 C ATOM 1003 SG CYS 1 72 -6.001 -3.994 5.321 1.00 0.00 S ATOM 0 H CYS 1 72 -6.617 -6.309 8.079 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.258 -5.080 7.122 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -7.143 -4.547 7.363 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -6.177 -3.096 7.544 1.00 0.00 H new ATOM 1008 N THR 1 73 -3.719 -3.161 8.790 1.00 0.00 N ATOM 1009 CA THR 1 73 -3.155 -2.361 9.871 1.00 0.00 C ATOM 1010 C THR 1 73 -3.537 -0.886 9.738 1.00 0.00 C ATOM 1011 O THR 1 73 -3.355 -0.106 10.672 1.00 0.00 O ATOM 1012 CB THR 1 73 -1.637 -2.518 9.895 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.041 -1.827 8.812 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -1.195 -3.964 9.819 1.00 0.00 C ATOM 0 H THR 1 73 -3.412 -2.888 7.857 1.00 0.00 H new ATOM 0 HA THR 1 73 -3.570 -2.723 10.812 1.00 0.00 H new ATOM 0 HB THR 1 73 -1.314 -2.100 10.848 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.068 -1.940 8.848 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -0.106 -4.013 9.840 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -1.600 -4.513 10.669 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -1.561 -4.408 8.893 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.073 -0.509 8.580 1.00 0.00 N ATOM 1023 CA GLY 1 74 -4.474 0.870 8.364 1.00 0.00 C ATOM 1024 C GLY 1 74 -3.297 1.822 8.258 1.00 0.00 C ATOM 1025 O GLY 1 74 -3.478 3.040 8.255 1.00 0.00 O ATOM 0 H GLY 1 74 -4.236 -1.132 7.789 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.067 0.931 7.451 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -5.118 1.188 9.184 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.089 1.273 8.169 1.00 0.00 N ATOM 1030 CA LYS 1 75 -0.886 2.091 8.060 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.019 1.637 6.888 1.00 0.00 C ATOM 1032 O LYS 1 75 1.147 2.018 6.782 1.00 0.00 O ATOM 1033 CB LYS 1 75 -0.077 2.028 9.358 1.00 0.00 C ATOM 1034 CG LYS 1 75 -0.936 2.055 10.612 1.00 0.00 C ATOM 1035 CD LYS 1 75 -0.855 0.742 11.373 1.00 0.00 C ATOM 1036 CE LYS 1 75 0.398 0.670 12.230 1.00 0.00 C ATOM 1037 NZ LYS 1 75 1.619 0.437 11.410 1.00 0.00 N ATOM 0 H LYS 1 75 -1.918 0.267 8.170 1.00 0.00 H new ATOM 0 HA LYS 1 75 -1.197 3.120 7.882 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 0.523 1.118 9.358 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 0.617 2.868 9.385 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -0.613 2.871 11.258 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -1.972 2.255 10.340 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -1.736 0.632 12.005 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -0.863 -0.089 10.668 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 0.509 1.599 12.790 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 0.293 -0.132 12.960 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 2.377 0.062 12.015 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 1.406 -0.248 10.657 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 1.928 1.334 10.984 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.594 0.821 6.009 1.00 0.00 N ATOM 1052 CA SER 1 76 0.127 0.317 4.848 1.00 0.00 C ATOM 1053 C SER 1 76 -0.786 -0.537 3.975 1.00 0.00 C ATOM 1054 O SER 1 76 -1.882 -0.914 4.388 1.00 0.00 O ATOM 1055 CB SER 1 76 1.340 -0.503 5.291 1.00 0.00 C ATOM 1056 OG SER 1 76 0.986 -1.434 6.299 1.00 0.00 O ATOM 0 H SER 1 76 -1.558 0.495 6.080 1.00 0.00 H new ATOM 0 HA SER 1 76 0.469 1.171 4.263 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.758 -1.031 4.434 1.00 0.00 H new ATOM 0 HB3 SER 1 76 2.117 0.164 5.664 1.00 0.00 H new ATOM 0 HG SER 1 76 1.778 -1.947 6.564 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.323 -0.843 2.769 1.00 0.00 N ATOM 1063 CA SER 1 77 -1.092 -1.660 1.837 1.00 0.00 C ATOM 1064 C SER 1 77 -0.799 -3.145 2.041 1.00 0.00 C ATOM 1065 O SER 1 77 -1.182 -3.980 1.221 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.769 -1.255 0.396 1.00 0.00 C ATOM 1067 OG SER 1 77 0.290 -2.035 -0.134 1.00 0.00 O ATOM 0 H SER 1 77 0.583 -0.537 2.413 1.00 0.00 H new ATOM 0 HA SER 1 77 -2.152 -1.492 2.029 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -1.657 -1.374 -0.225 1.00 0.00 H new ATOM 0 HB3 SER 1 77 -0.497 -0.200 0.365 1.00 0.00 H new ATOM 0 HG SER 1 77 0.422 -1.809 -1.078 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.120 -3.469 3.138 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.223 -4.851 3.443 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.739 -5.437 4.468 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.292 -4.719 5.301 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.658 -4.940 3.963 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.685 -4.758 2.862 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.440 -5.240 1.737 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.734 -4.133 3.126 1.00 0.00 O ATOM 0 H ASP 1 78 0.203 -2.792 3.829 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.141 -5.430 2.523 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.812 -4.180 4.729 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.809 -5.908 4.440 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.933 -6.747 4.398 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.826 -7.442 5.315 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.124 -8.648 5.937 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.029 -9.706 5.317 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.084 -7.893 4.573 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.262 -6.547 4.232 1.00 0.00 S ATOM 0 H CYS 1 79 -0.482 -7.352 3.712 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.108 -6.756 6.114 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.792 -8.354 3.630 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.586 -8.661 5.162 1.00 0.00 H new ATOM 1095 N PRO 1 80 -0.614 -8.503 7.173 1.00 0.00 N ATOM 1096 CA PRO 1 80 0.088 -9.586 7.875 1.00 0.00 C ATOM 1097 C PRO 1 80 -0.854 -10.679 8.387 1.00 0.00 C ATOM 1098 O PRO 1 80 -1.852 -10.392 9.047 1.00 0.00 O ATOM 1099 CB PRO 1 80 0.747 -8.863 9.050 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.148 -7.705 9.322 1.00 0.00 C ATOM 1101 CD PRO 1 80 -0.669 -7.268 7.981 1.00 0.00 C ATOM 0 HA PRO 1 80 0.784 -10.108 7.218 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 0.830 -9.514 9.920 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.756 -8.535 8.799 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.965 -7.989 9.985 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 0.395 -6.897 9.813 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -1.685 -6.879 8.052 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.055 -6.478 7.549 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.516 -11.933 8.086 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.319 -13.084 8.525 1.00 0.00 C ATOM 1111 C TRP 1 81 -1.506 -13.076 10.035 1.00 0.00 C ATOM 1112 O TRP 1 81 -2.432 -13.695 10.559 1.00 0.00 O ATOM 1113 CB TRP 1 81 -0.660 -14.416 8.140 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.375 -14.321 7.065 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.704 -14.053 7.221 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.162 -14.508 5.669 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.330 -14.059 5.999 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.401 -14.338 5.030 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.961 -14.803 4.900 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 1.548 -14.455 3.655 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -0.817 -14.921 3.531 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 0.431 -14.747 2.919 1.00 0.00 C ATOM 0 H TRP 1 81 0.309 -12.182 7.540 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.283 -12.994 8.024 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.200 -14.847 9.029 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.437 -15.108 7.815 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 2.191 -13.864 8.166 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.322 -13.885 5.839 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.926 -14.937 5.365 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 2.510 -14.320 3.182 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -1.680 -15.151 2.923 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 0.514 -14.845 1.847 1.00 0.00 H new ATOM 1133 N ASN 1 82 -0.592 -12.406 10.724 1.00 0.00 N ATOM 1134 CA ASN 1 82 -0.608 -12.341 12.183 1.00 0.00 C ATOM 1135 C ASN 1 82 0.029 -13.603 12.756 1.00 0.00 C ATOM 1136 O ASN 1 82 -0.297 -14.035 13.862 1.00 0.00 O ATOM 1137 CB ASN 1 82 -2.036 -12.181 12.714 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.071 -11.629 14.126 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.562 -12.248 15.060 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.674 -10.457 14.288 1.00 0.00 N ATOM 0 H ASN 1 82 0.178 -11.894 10.293 1.00 0.00 H new ATOM 0 HA ASN 1 82 -0.035 -11.468 12.498 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -2.594 -11.517 12.054 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -2.539 -13.148 12.693 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -2.729 -10.035 15.215 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.083 -9.978 13.485 1.00 0.00 H new ATOM 1147 N HIS 1 83 0.935 -14.194 11.978 1.00 0.00 N ATOM 1148 CA HIS 1 83 1.624 -15.414 12.377 1.00 0.00 C ATOM 1149 C HIS 1 83 3.026 -15.107 12.895 1.00 0.00 C ATOM 1150 O HIS 1 83 3.413 -13.919 12.884 1.00 0.00 O ATOM 1151 CB HIS 1 83 1.701 -16.375 11.187 1.00 0.00 C ATOM 1152 CG HIS 1 83 0.363 -16.687 10.597 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 0.185 -17.051 9.279 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -0.872 -16.673 11.152 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -1.102 -17.242 9.048 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -1.764 -17.022 10.168 1.00 0.00 N ATOM 1157 OXT HIS 1 83 3.724 -16.057 13.307 1.00 0.00 O ATOM 0 H HIS 1 83 1.208 -13.842 11.061 1.00 0.00 H new ATOM 0 HA HIS 1 83 1.061 -15.881 13.185 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 2.338 -15.940 10.417 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 2.176 -17.303 11.507 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -1.111 -16.432 12.177 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -1.538 -17.529 8.103 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -2.774 -17.099 10.284 1.00 0.00 H new TER 1166 HIS 1 83