USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 HIS : no HE2:sc= -9.53! C(o=-9.5!,f=-10!) USER MOD Set 1.2: A 20 TYR OH : rot 146:sc= 0.0403 USER MOD Single : A 1 THR N :NH3+ -143:sc= 0.587 (180deg=0.111) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.196 USER MOD Single : A 2 MET CE :methyl 151:sc= -0.484 (180deg=-1.51) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -115:sc= -2.49! USER MOD Single : A 12 ASN : amide:sc=-0.00888 X(o=-0.0089,f=0) USER MOD Single : A 16 ASN : amide:sc= -7.37! C(o=-7.4!,f=-14!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 149:sc= -5.4! USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.775 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -1.79 K(o=-1.8,f=-0.46) USER MOD Single : A 49 THR OG1 : rot -170:sc= -2.83! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 54 ASN : amide:sc= -3.47! K(o=-3.5!,f=-0.62) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -112:sc= -4.49! (180deg=-7.93!) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00398 USER MOD Single : A 68 SER OG : rot 36:sc= -0.637 USER MOD Single : A 69 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.0074) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -148:sc= -0.617 (180deg=-2.67!) USER MOD Single : A 76 THR OG1 : rot -50:sc= 1.12 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -55:sc= 1.18 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -1.945 -20.193 -1.010 1.00 0.00 N ATOM 2 CA THR A 1 -2.143 -19.915 -2.462 1.00 0.00 C ATOM 3 C THR A 1 -3.528 -19.308 -2.701 1.00 0.00 C ATOM 4 O THR A 1 -3.698 -18.105 -2.703 1.00 0.00 O ATOM 5 CB THR A 1 -2.029 -21.278 -3.147 1.00 0.00 C ATOM 6 OG1 THR A 1 -2.483 -22.290 -2.258 1.00 0.00 O ATOM 7 CG2 THR A 1 -0.570 -21.543 -3.522 1.00 0.00 C ATOM 0 H1 THR A 1 -0.958 -19.994 -0.750 1.00 0.00 H new ATOM 0 H2 THR A 1 -2.579 -19.587 -0.451 1.00 0.00 H new ATOM 0 H3 THR A 1 -2.160 -21.192 -0.815 1.00 0.00 H new ATOM 0 HA THR A 1 -1.414 -19.203 -2.848 1.00 0.00 H new ATOM 0 HB THR A 1 -2.640 -21.284 -4.050 1.00 0.00 H new ATOM 0 HG1 THR A 1 -2.413 -23.165 -2.695 1.00 0.00 H new ATOM 0 HG21 THR A 1 -0.490 -22.514 -4.010 1.00 0.00 H new ATOM 0 HG22 THR A 1 -0.222 -20.766 -4.202 1.00 0.00 H new ATOM 0 HG23 THR A 1 0.044 -21.538 -2.621 1.00 0.00 H new ATOM 17 N MET A 2 -4.521 -20.132 -2.901 1.00 0.00 N ATOM 18 CA MET A 2 -5.895 -19.602 -3.137 1.00 0.00 C ATOM 19 C MET A 2 -5.882 -18.602 -4.297 1.00 0.00 C ATOM 20 O MET A 2 -4.844 -18.271 -4.834 1.00 0.00 O ATOM 21 CB MET A 2 -6.281 -18.905 -1.833 1.00 0.00 C ATOM 22 CG MET A 2 -7.656 -19.398 -1.380 1.00 0.00 C ATOM 23 SD MET A 2 -8.174 -18.471 0.086 1.00 0.00 S ATOM 24 CE MET A 2 -8.453 -16.882 -0.736 1.00 0.00 C ATOM 0 H MET A 2 -4.440 -21.149 -2.911 1.00 0.00 H new ATOM 0 HA MET A 2 -6.602 -20.388 -3.402 1.00 0.00 H new ATOM 0 HB2 MET A 2 -5.537 -19.111 -1.064 1.00 0.00 H new ATOM 0 HB3 MET A 2 -6.299 -17.825 -1.977 1.00 0.00 H new ATOM 0 HG2 MET A 2 -8.383 -19.268 -2.182 1.00 0.00 H new ATOM 0 HG3 MET A 2 -7.616 -20.464 -1.155 1.00 0.00 H new ATOM 0 HE1 MET A 2 -9.224 -16.327 -0.202 1.00 0.00 H new ATOM 0 HE2 MET A 2 -7.527 -16.306 -0.739 1.00 0.00 H new ATOM 0 HE3 MET A 2 -8.775 -17.055 -1.763 1.00 0.00 H new ATOM 34 N SER A 3 -7.029 -18.118 -4.688 1.00 0.00 N ATOM 35 CA SER A 3 -7.084 -17.140 -5.812 1.00 0.00 C ATOM 36 C SER A 3 -8.033 -15.990 -5.468 1.00 0.00 C ATOM 37 O SER A 3 -9.207 -16.025 -5.784 1.00 0.00 O ATOM 38 CB SER A 3 -7.614 -17.936 -7.003 1.00 0.00 C ATOM 39 OG SER A 3 -7.066 -17.405 -8.204 1.00 0.00 O ATOM 0 H SER A 3 -7.931 -18.358 -4.277 1.00 0.00 H new ATOM 0 HA SER A 3 -6.111 -16.695 -6.020 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.346 -18.987 -6.901 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.702 -17.886 -7.033 1.00 0.00 H new ATOM 0 HG SER A 3 -7.403 -17.915 -8.970 1.00 0.00 H new ATOM 45 N SER A 4 -7.537 -14.971 -4.822 1.00 0.00 N ATOM 46 CA SER A 4 -8.413 -13.820 -4.458 1.00 0.00 C ATOM 47 C SER A 4 -7.674 -12.499 -4.692 1.00 0.00 C ATOM 48 O SER A 4 -6.460 -12.453 -4.726 1.00 0.00 O ATOM 49 CB SER A 4 -8.718 -14.010 -2.973 1.00 0.00 C ATOM 50 OG SER A 4 -10.125 -14.076 -2.789 1.00 0.00 O ATOM 0 H SER A 4 -6.563 -14.885 -4.530 1.00 0.00 H new ATOM 0 HA SER A 4 -9.322 -13.785 -5.059 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.248 -14.923 -2.607 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.302 -13.184 -2.396 1.00 0.00 H new ATOM 0 HG SER A 4 -10.325 -14.200 -1.838 1.00 0.00 H new ATOM 56 N GLU A 5 -8.398 -11.424 -4.853 1.00 0.00 N ATOM 57 CA GLU A 5 -7.736 -10.108 -5.085 1.00 0.00 C ATOM 58 C GLU A 5 -7.426 -9.428 -3.748 1.00 0.00 C ATOM 59 O GLU A 5 -6.810 -8.383 -3.700 1.00 0.00 O ATOM 60 CB GLU A 5 -8.752 -9.289 -5.880 1.00 0.00 C ATOM 61 CG GLU A 5 -8.015 -8.325 -6.811 1.00 0.00 C ATOM 62 CD GLU A 5 -8.684 -8.330 -8.186 1.00 0.00 C ATOM 63 OE1 GLU A 5 -9.744 -7.739 -8.309 1.00 0.00 O ATOM 64 OE2 GLU A 5 -8.127 -8.924 -9.094 1.00 0.00 O ATOM 0 H GLU A 5 -9.418 -11.400 -4.834 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.789 -10.210 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.395 -9.951 -6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.398 -8.733 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.027 -7.318 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.970 -8.619 -6.903 1.00 0.00 H new ATOM 71 N HIS A 6 -7.849 -10.014 -2.661 1.00 0.00 N ATOM 72 CA HIS A 6 -7.578 -9.400 -1.328 1.00 0.00 C ATOM 73 C HIS A 6 -8.247 -8.026 -1.234 1.00 0.00 C ATOM 74 O HIS A 6 -7.800 -7.156 -0.514 1.00 0.00 O ATOM 75 CB HIS A 6 -6.056 -9.262 -1.258 1.00 0.00 C ATOM 76 CG HIS A 6 -5.414 -10.539 -1.727 1.00 0.00 C ATOM 77 ND1 HIS A 6 -4.234 -10.551 -2.453 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.778 -11.855 -1.579 1.00 0.00 C ATOM 79 CE1 HIS A 6 -3.931 -11.835 -2.712 1.00 0.00 C ATOM 80 NE2 HIS A 6 -4.840 -12.672 -2.203 1.00 0.00 N ATOM 0 H HIS A 6 -8.370 -10.891 -2.637 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.971 -10.001 -0.508 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.727 -8.428 -1.878 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.747 -9.041 -0.236 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -3.694 -9.734 -2.739 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.658 -12.203 -1.058 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.059 -12.152 -3.264 1.00 0.00 H new ATOM 88 N THR A 7 -9.316 -7.826 -1.955 1.00 0.00 N ATOM 89 CA THR A 7 -10.013 -6.509 -1.907 1.00 0.00 C ATOM 90 C THR A 7 -11.009 -6.481 -0.745 1.00 0.00 C ATOM 91 O THR A 7 -11.649 -7.468 -0.439 1.00 0.00 O ATOM 92 CB THR A 7 -10.747 -6.401 -3.245 1.00 0.00 C ATOM 93 OG1 THR A 7 -9.813 -6.098 -4.272 1.00 0.00 O ATOM 94 CG2 THR A 7 -11.797 -5.292 -3.164 1.00 0.00 C ATOM 0 H THR A 7 -9.737 -8.517 -2.575 1.00 0.00 H new ATOM 0 HA THR A 7 -9.322 -5.680 -1.753 1.00 0.00 H new ATOM 0 HB THR A 7 -11.239 -7.348 -3.468 1.00 0.00 H new ATOM 0 HG1 THR A 7 -10.281 -6.030 -5.130 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.320 -5.215 -4.117 1.00 0.00 H new ATOM 0 HG22 THR A 7 -12.513 -5.525 -2.376 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.308 -4.344 -2.941 1.00 0.00 H new ATOM 102 N CYS A 8 -11.144 -5.358 -0.094 1.00 0.00 N ATOM 103 CA CYS A 8 -12.102 -5.267 1.046 1.00 0.00 C ATOM 104 C CYS A 8 -13.452 -5.865 0.646 1.00 0.00 C ATOM 105 O CYS A 8 -13.644 -6.296 -0.474 1.00 0.00 O ATOM 106 CB CYS A 8 -12.246 -3.772 1.329 1.00 0.00 C ATOM 107 SG CYS A 8 -10.609 -3.038 1.559 1.00 0.00 S ATOM 0 H CYS A 8 -10.633 -4.500 -0.301 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.754 -5.815 1.921 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.762 -3.283 0.503 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.854 -3.617 2.221 1.00 0.00 H new ATOM 112 N ILE A 9 -14.393 -5.891 1.549 1.00 0.00 N ATOM 113 CA ILE A 9 -15.730 -6.459 1.213 1.00 0.00 C ATOM 114 C ILE A 9 -16.825 -5.432 1.503 1.00 0.00 C ATOM 115 O ILE A 9 -17.984 -5.644 1.210 1.00 0.00 O ATOM 116 CB ILE A 9 -15.881 -7.679 2.118 1.00 0.00 C ATOM 117 CG1 ILE A 9 -15.670 -7.262 3.575 1.00 0.00 C ATOM 118 CG2 ILE A 9 -14.841 -8.734 1.734 1.00 0.00 C ATOM 119 CD1 ILE A 9 -16.895 -7.652 4.402 1.00 0.00 C ATOM 0 H ILE A 9 -14.295 -5.544 2.503 1.00 0.00 H new ATOM 0 HA ILE A 9 -15.815 -6.724 0.159 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.881 -8.096 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.779 -7.744 3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.505 -6.186 3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.950 -9.605 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.991 -9.032 0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.840 -8.318 1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.743 -7.354 5.440 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.777 -7.149 4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.040 -8.731 4.352 1.00 0.00 H new ATOM 131 N ASP A 10 -16.461 -4.321 2.074 1.00 0.00 N ATOM 132 CA ASP A 10 -17.472 -3.270 2.388 1.00 0.00 C ATOM 133 C ASP A 10 -16.827 -2.178 3.238 1.00 0.00 C ATOM 134 O ASP A 10 -17.376 -1.745 4.234 1.00 0.00 O ATOM 135 CB ASP A 10 -18.571 -3.987 3.176 1.00 0.00 C ATOM 136 CG ASP A 10 -17.938 -4.919 4.209 1.00 0.00 C ATOM 137 OD1 ASP A 10 -16.765 -4.744 4.496 1.00 0.00 O ATOM 138 OD2 ASP A 10 -18.636 -5.791 4.698 1.00 0.00 O ATOM 0 H ASP A 10 -15.503 -4.092 2.339 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.870 -2.794 1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -19.210 -3.258 3.673 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -19.206 -4.557 2.498 1.00 0.00 H new ATOM 143 N THR A 11 -15.662 -1.735 2.857 1.00 0.00 N ATOM 144 CA THR A 11 -14.975 -0.676 3.647 1.00 0.00 C ATOM 145 C THR A 11 -15.325 0.707 3.098 1.00 0.00 C ATOM 146 O THR A 11 -15.463 0.895 1.905 1.00 0.00 O ATOM 147 CB THR A 11 -13.481 -0.964 3.471 1.00 0.00 C ATOM 148 OG1 THR A 11 -13.058 -1.876 4.474 1.00 0.00 O ATOM 149 CG2 THR A 11 -12.681 0.336 3.591 1.00 0.00 C ATOM 0 H THR A 11 -15.156 -2.060 2.033 1.00 0.00 H new ATOM 0 HA THR A 11 -15.273 -0.682 4.696 1.00 0.00 H new ATOM 0 HB THR A 11 -13.311 -1.397 2.485 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.415 -1.435 5.067 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.620 0.123 3.465 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.005 1.035 2.820 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.848 0.777 4.574 1.00 0.00 H new ATOM 157 N ASN A 12 -15.454 1.682 3.955 1.00 0.00 N ATOM 158 CA ASN A 12 -15.775 3.049 3.468 1.00 0.00 C ATOM 159 C ASN A 12 -14.521 3.645 2.831 1.00 0.00 C ATOM 160 O ASN A 12 -13.550 3.937 3.502 1.00 0.00 O ATOM 161 CB ASN A 12 -16.178 3.838 4.714 1.00 0.00 C ATOM 162 CG ASN A 12 -16.287 5.324 4.365 1.00 0.00 C ATOM 163 OD1 ASN A 12 -17.288 5.765 3.836 1.00 0.00 O ATOM 164 ND2 ASN A 12 -15.291 6.121 4.644 1.00 0.00 N ATOM 0 H ASN A 12 -15.351 1.590 4.966 1.00 0.00 H new ATOM 0 HA ASN A 12 -16.570 3.063 2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.131 3.473 5.096 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -15.441 3.692 5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.353 7.114 4.418 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.451 5.751 5.088 1.00 0.00 H new ATOM 171 N VAL A 13 -14.523 3.802 1.541 1.00 0.00 N ATOM 172 CA VAL A 13 -13.319 4.350 0.860 1.00 0.00 C ATOM 173 C VAL A 13 -13.711 5.453 -0.128 1.00 0.00 C ATOM 174 O VAL A 13 -14.415 5.208 -1.088 1.00 0.00 O ATOM 175 CB VAL A 13 -12.720 3.148 0.132 1.00 0.00 C ATOM 176 CG1 VAL A 13 -11.722 3.627 -0.923 1.00 0.00 C ATOM 177 CG2 VAL A 13 -12.003 2.249 1.144 1.00 0.00 C ATOM 0 H VAL A 13 -15.305 3.575 0.927 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.614 4.806 1.555 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.516 2.587 -0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.297 2.766 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -12.233 4.267 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.924 4.190 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.574 1.390 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.208 2.813 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.716 1.904 1.893 1.00 0.00 H new ATOM 187 N PRO A 14 -13.237 6.637 0.148 1.00 0.00 N ATOM 188 CA PRO A 14 -13.534 7.805 -0.721 1.00 0.00 C ATOM 189 C PRO A 14 -12.911 7.612 -2.108 1.00 0.00 C ATOM 190 O PRO A 14 -11.967 6.866 -2.277 1.00 0.00 O ATOM 191 CB PRO A 14 -12.886 8.984 0.004 1.00 0.00 C ATOM 192 CG PRO A 14 -11.898 8.381 0.951 1.00 0.00 C ATOM 193 CD PRO A 14 -12.385 6.996 1.285 1.00 0.00 C ATOM 0 HA PRO A 14 -14.602 7.951 -0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.394 9.655 -0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.631 9.573 0.538 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.907 8.341 0.499 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.812 8.986 1.854 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.556 6.298 1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.943 6.984 2.221 1.00 0.00 H new ATOM 201 N ASP A 15 -13.432 8.283 -3.097 1.00 0.00 N ATOM 202 CA ASP A 15 -12.874 8.143 -4.473 1.00 0.00 C ATOM 203 C ASP A 15 -11.483 8.781 -4.549 1.00 0.00 C ATOM 204 O ASP A 15 -11.231 9.651 -5.359 1.00 0.00 O ATOM 205 CB ASP A 15 -13.855 8.891 -5.377 1.00 0.00 C ATOM 206 CG ASP A 15 -15.216 8.192 -5.341 1.00 0.00 C ATOM 207 OD1 ASP A 15 -15.515 7.571 -4.334 1.00 0.00 O ATOM 208 OD2 ASP A 15 -15.935 8.290 -6.321 1.00 0.00 O ATOM 0 H ASP A 15 -14.221 8.924 -3.013 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.762 7.100 -4.767 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.956 9.924 -5.046 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.476 8.919 -6.398 1.00 0.00 H new ATOM 213 N ASN A 16 -10.581 8.353 -3.711 1.00 0.00 N ATOM 214 CA ASN A 16 -9.207 8.930 -3.731 1.00 0.00 C ATOM 215 C ASN A 16 -8.297 8.147 -2.780 1.00 0.00 C ATOM 216 O ASN A 16 -7.315 8.660 -2.280 1.00 0.00 O ATOM 217 CB ASN A 16 -9.377 10.371 -3.253 1.00 0.00 C ATOM 218 CG ASN A 16 -10.061 10.380 -1.884 1.00 0.00 C ATOM 219 OD1 ASN A 16 -9.794 9.534 -1.054 1.00 0.00 O ATOM 220 ND2 ASN A 16 -10.938 11.306 -1.612 1.00 0.00 N ATOM 0 H ASN A 16 -10.736 7.627 -3.011 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.749 8.883 -4.719 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.405 10.861 -3.189 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.971 10.936 -3.972 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.400 11.320 -0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.162 12.016 -2.309 1.00 0.00 H new ATOM 227 N ALA A 17 -8.620 6.909 -2.531 1.00 0.00 N ATOM 228 CA ALA A 17 -7.782 6.082 -1.615 1.00 0.00 C ATOM 229 C ALA A 17 -7.802 4.623 -2.068 1.00 0.00 C ATOM 230 O ALA A 17 -8.606 4.231 -2.892 1.00 0.00 O ATOM 231 CB ALA A 17 -8.436 6.220 -0.239 1.00 0.00 C ATOM 0 H ALA A 17 -9.431 6.431 -2.923 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.741 6.404 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.874 5.637 0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.439 7.269 0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.461 5.853 -0.285 1.00 0.00 H new ATOM 237 N ALA A 18 -6.933 3.813 -1.533 1.00 0.00 N ATOM 238 CA ALA A 18 -6.917 2.380 -1.931 1.00 0.00 C ATOM 239 C ALA A 18 -7.061 1.507 -0.687 1.00 0.00 C ATOM 240 O ALA A 18 -6.401 1.718 0.310 1.00 0.00 O ATOM 241 CB ALA A 18 -5.552 2.165 -2.587 1.00 0.00 C ATOM 0 H ALA A 18 -6.235 4.081 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.731 2.120 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.463 1.128 -2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.456 2.823 -3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.764 2.391 -1.869 1.00 0.00 H new ATOM 247 N CYS A 19 -7.920 0.528 -0.733 1.00 0.00 N ATOM 248 CA CYS A 19 -8.101 -0.351 0.455 1.00 0.00 C ATOM 249 C CYS A 19 -7.638 -1.771 0.128 1.00 0.00 C ATOM 250 O CYS A 19 -7.604 -2.174 -1.017 1.00 0.00 O ATOM 251 CB CYS A 19 -9.604 -0.304 0.757 1.00 0.00 C ATOM 252 SG CYS A 19 -10.436 -1.737 0.024 1.00 0.00 S ATOM 0 H CYS A 19 -8.503 0.299 -1.538 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.515 -0.026 1.315 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.765 -0.293 1.835 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.033 0.616 0.361 1.00 0.00 H new ATOM 257 N TYR A 20 -7.275 -2.530 1.122 1.00 0.00 N ATOM 258 CA TYR A 20 -6.806 -3.921 0.850 1.00 0.00 C ATOM 259 C TYR A 20 -7.167 -4.865 2.002 1.00 0.00 C ATOM 260 O TYR A 20 -6.753 -4.674 3.129 1.00 0.00 O ATOM 261 CB TYR A 20 -5.289 -3.801 0.713 1.00 0.00 C ATOM 262 CG TYR A 20 -4.681 -5.179 0.609 1.00 0.00 C ATOM 263 CD1 TYR A 20 -4.454 -5.931 1.767 1.00 0.00 C ATOM 264 CD2 TYR A 20 -4.343 -5.701 -0.644 1.00 0.00 C ATOM 265 CE1 TYR A 20 -3.888 -7.208 1.671 1.00 0.00 C ATOM 266 CE2 TYR A 20 -3.777 -6.978 -0.741 1.00 0.00 C ATOM 267 CZ TYR A 20 -3.550 -7.733 0.416 1.00 0.00 C ATOM 268 OH TYR A 20 -2.992 -8.991 0.323 1.00 0.00 O ATOM 0 H TYR A 20 -7.281 -2.253 2.104 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.274 -4.338 -0.042 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.039 -3.214 -0.171 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.876 -3.274 1.573 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.715 -5.527 2.734 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.519 -5.119 -1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.712 -7.789 2.564 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.516 -7.381 -1.708 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.296 -9.424 -0.502 1.00 0.00 H new ATOM 278 N ARG A 21 -7.921 -5.895 1.719 1.00 0.00 N ATOM 279 CA ARG A 21 -8.295 -6.867 2.786 1.00 0.00 C ATOM 280 C ARG A 21 -7.346 -8.072 2.734 1.00 0.00 C ATOM 281 O ARG A 21 -7.335 -8.821 1.779 1.00 0.00 O ATOM 282 CB ARG A 21 -9.728 -7.291 2.456 1.00 0.00 C ATOM 283 CG ARG A 21 -9.980 -8.712 2.968 1.00 0.00 C ATOM 284 CD ARG A 21 -11.471 -8.894 3.259 1.00 0.00 C ATOM 285 NE ARG A 21 -11.691 -10.366 3.236 1.00 0.00 N ATOM 286 CZ ARG A 21 -12.781 -10.873 3.745 1.00 0.00 C ATOM 287 NH1 ARG A 21 -13.680 -10.090 4.277 1.00 0.00 N ATOM 288 NH2 ARG A 21 -12.970 -12.164 3.724 1.00 0.00 N ATOM 0 H ARG A 21 -8.294 -6.104 0.793 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.225 -6.441 3.787 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.436 -6.599 2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.891 -7.249 1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.652 -9.440 2.226 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.398 -8.893 3.872 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.739 -8.470 4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.083 -8.392 2.510 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.989 -10.979 2.822 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.531 -9.081 4.295 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.531 -10.487 4.674 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.266 -12.776 3.310 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.821 -12.561 4.121 1.00 0.00 H new ATOM 302 N TYR A 22 -6.544 -8.258 3.748 1.00 0.00 N ATOM 303 CA TYR A 22 -5.594 -9.410 3.743 1.00 0.00 C ATOM 304 C TYR A 22 -6.317 -10.707 3.371 1.00 0.00 C ATOM 305 O TYR A 22 -7.529 -10.763 3.308 1.00 0.00 O ATOM 306 CB TYR A 22 -5.053 -9.490 5.170 1.00 0.00 C ATOM 307 CG TYR A 22 -3.772 -10.288 5.179 1.00 0.00 C ATOM 308 CD1 TYR A 22 -2.783 -10.035 4.221 1.00 0.00 C ATOM 309 CD2 TYR A 22 -3.571 -11.278 6.148 1.00 0.00 C ATOM 310 CE1 TYR A 22 -1.595 -10.776 4.230 1.00 0.00 C ATOM 311 CE2 TYR A 22 -2.383 -12.018 6.157 1.00 0.00 C ATOM 312 CZ TYR A 22 -1.395 -11.767 5.198 1.00 0.00 C ATOM 313 OH TYR A 22 -0.223 -12.495 5.207 1.00 0.00 O ATOM 0 H TYR A 22 -6.505 -7.665 4.577 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.798 -9.275 3.011 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.872 -8.488 5.558 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.790 -9.957 5.824 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.936 -9.269 3.475 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.333 -11.471 6.889 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.833 -10.583 3.490 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.229 -12.783 6.904 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.245 -13.141 5.944 1.00 0.00 H new ATOM 323 N LEU A 23 -5.573 -11.752 3.123 1.00 0.00 N ATOM 324 CA LEU A 23 -6.197 -13.056 2.750 1.00 0.00 C ATOM 325 C LEU A 23 -6.830 -13.720 3.976 1.00 0.00 C ATOM 326 O LEU A 23 -7.722 -14.536 3.859 1.00 0.00 O ATOM 327 CB LEU A 23 -5.044 -13.906 2.217 1.00 0.00 C ATOM 328 CG LEU A 23 -4.812 -13.582 0.742 1.00 0.00 C ATOM 329 CD1 LEU A 23 -3.698 -12.540 0.615 1.00 0.00 C ATOM 330 CD2 LEU A 23 -4.402 -14.856 -0.003 1.00 0.00 C ATOM 0 H LEU A 23 -4.554 -11.759 3.163 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.992 -12.934 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.138 -13.710 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.273 -14.965 2.336 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.731 -13.186 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.533 -12.310 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.987 -11.632 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.779 -12.935 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.237 -14.625 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.483 -15.251 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.194 -15.600 0.085 1.00 0.00 H new ATOM 342 N ASP A 24 -6.369 -13.388 5.151 1.00 0.00 N ATOM 343 CA ASP A 24 -6.938 -14.015 6.379 1.00 0.00 C ATOM 344 C ASP A 24 -8.305 -13.408 6.713 1.00 0.00 C ATOM 345 O ASP A 24 -8.892 -13.708 7.734 1.00 0.00 O ATOM 346 CB ASP A 24 -5.930 -13.703 7.485 1.00 0.00 C ATOM 347 CG ASP A 24 -5.805 -14.909 8.418 1.00 0.00 C ATOM 348 OD1 ASP A 24 -6.713 -15.119 9.207 1.00 0.00 O ATOM 349 OD2 ASP A 24 -4.806 -15.602 8.328 1.00 0.00 O ATOM 0 H ASP A 24 -5.624 -12.711 5.314 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.094 -15.087 6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.959 -13.464 7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.251 -12.826 8.048 1.00 0.00 H new ATOM 354 N GLY A 25 -8.824 -12.571 5.859 1.00 0.00 N ATOM 355 CA GLY A 25 -10.157 -11.962 6.131 1.00 0.00 C ATOM 356 C GLY A 25 -9.985 -10.638 6.878 1.00 0.00 C ATOM 357 O GLY A 25 -10.947 -10.005 7.262 1.00 0.00 O ATOM 0 H GLY A 25 -8.384 -12.282 4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.687 -11.794 5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.765 -12.647 6.723 1.00 0.00 H new ATOM 361 N THR A 26 -8.769 -10.210 7.085 1.00 0.00 N ATOM 362 CA THR A 26 -8.555 -8.920 7.806 1.00 0.00 C ATOM 363 C THR A 26 -8.968 -7.753 6.909 1.00 0.00 C ATOM 364 O THR A 26 -9.576 -7.941 5.874 1.00 0.00 O ATOM 365 CB THR A 26 -7.054 -8.859 8.106 1.00 0.00 C ATOM 366 OG1 THR A 26 -6.372 -8.336 6.977 1.00 0.00 O ATOM 367 CG2 THR A 26 -6.526 -10.259 8.425 1.00 0.00 C ATOM 0 H THR A 26 -7.920 -10.692 6.789 1.00 0.00 H new ATOM 0 HA THR A 26 -9.147 -8.857 8.719 1.00 0.00 H new ATOM 0 HB THR A 26 -6.884 -8.214 8.968 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.579 -7.842 7.274 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.458 -10.206 8.637 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.049 -10.656 9.295 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.694 -10.915 7.571 1.00 0.00 H new ATOM 375 N GLU A 27 -8.644 -6.550 7.292 1.00 0.00 N ATOM 376 CA GLU A 27 -9.023 -5.380 6.450 1.00 0.00 C ATOM 377 C GLU A 27 -7.994 -4.257 6.596 1.00 0.00 C ATOM 378 O GLU A 27 -7.655 -3.848 7.690 1.00 0.00 O ATOM 379 CB GLU A 27 -10.383 -4.934 6.982 1.00 0.00 C ATOM 380 CG GLU A 27 -10.690 -3.528 6.467 1.00 0.00 C ATOM 381 CD GLU A 27 -10.064 -2.495 7.406 1.00 0.00 C ATOM 382 OE1 GLU A 27 -10.574 -2.333 8.502 1.00 0.00 O ATOM 383 OE2 GLU A 27 -9.083 -1.884 7.013 1.00 0.00 O ATOM 0 H GLU A 27 -8.136 -6.326 8.147 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.061 -5.633 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.158 -5.629 6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.381 -4.942 8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.296 -3.404 5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.768 -3.377 6.409 1.00 0.00 H new ATOM 390 N GLU A 28 -7.500 -3.749 5.501 1.00 0.00 N ATOM 391 CA GLU A 28 -6.502 -2.644 5.569 1.00 0.00 C ATOM 392 C GLU A 28 -6.863 -1.559 4.551 1.00 0.00 C ATOM 393 O GLU A 28 -7.169 -1.846 3.413 1.00 0.00 O ATOM 394 CB GLU A 28 -5.165 -3.293 5.212 1.00 0.00 C ATOM 395 CG GLU A 28 -4.025 -2.503 5.859 1.00 0.00 C ATOM 396 CD GLU A 28 -2.979 -3.475 6.408 1.00 0.00 C ATOM 397 OE1 GLU A 28 -3.184 -3.978 7.501 1.00 0.00 O ATOM 398 OE2 GLU A 28 -1.992 -3.701 5.727 1.00 0.00 O ATOM 0 H GLU A 28 -7.745 -4.052 4.559 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.470 -2.169 6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.147 -4.327 5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.037 -3.316 4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.569 -1.836 5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.412 -1.877 6.663 1.00 0.00 H new ATOM 405 N TRP A 29 -6.839 -0.318 4.952 1.00 0.00 N ATOM 406 CA TRP A 29 -7.193 0.774 4.000 1.00 0.00 C ATOM 407 C TRP A 29 -6.006 1.712 3.783 1.00 0.00 C ATOM 408 O TRP A 29 -5.262 2.012 4.697 1.00 0.00 O ATOM 409 CB TRP A 29 -8.351 1.512 4.668 1.00 0.00 C ATOM 410 CG TRP A 29 -9.446 0.538 4.947 1.00 0.00 C ATOM 411 CD1 TRP A 29 -9.641 -0.613 4.268 1.00 0.00 C ATOM 412 CD2 TRP A 29 -10.491 0.602 5.959 1.00 0.00 C ATOM 413 NE1 TRP A 29 -10.740 -1.263 4.796 1.00 0.00 N ATOM 414 CE2 TRP A 29 -11.300 -0.554 5.841 1.00 0.00 C ATOM 415 CE3 TRP A 29 -10.814 1.540 6.956 1.00 0.00 C ATOM 416 CZ2 TRP A 29 -12.389 -0.771 6.685 1.00 0.00 C ATOM 417 CZ3 TRP A 29 -11.911 1.324 7.807 1.00 0.00 C ATOM 418 CH2 TRP A 29 -12.697 0.171 7.672 1.00 0.00 C ATOM 0 H TRP A 29 -6.591 -0.013 5.893 1.00 0.00 H new ATOM 0 HA TRP A 29 -7.462 0.390 3.016 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.016 1.979 5.594 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.713 2.311 4.021 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -9.036 -0.968 3.446 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -11.094 -2.157 4.456 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.215 2.432 7.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -12.991 -1.661 6.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -12.150 2.050 8.570 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.539 0.010 8.329 1.00 0.00 H new ATOM 429 N ARG A 30 -5.826 2.179 2.580 1.00 0.00 N ATOM 430 CA ARG A 30 -4.688 3.101 2.299 1.00 0.00 C ATOM 431 C ARG A 30 -5.153 4.244 1.392 1.00 0.00 C ATOM 432 O ARG A 30 -6.160 4.144 0.722 1.00 0.00 O ATOM 433 CB ARG A 30 -3.642 2.239 1.591 1.00 0.00 C ATOM 434 CG ARG A 30 -3.080 1.207 2.573 1.00 0.00 C ATOM 435 CD ARG A 30 -2.280 1.922 3.665 1.00 0.00 C ATOM 436 NE ARG A 30 -2.559 1.156 4.911 1.00 0.00 N ATOM 437 CZ ARG A 30 -1.924 0.041 5.151 1.00 0.00 C ATOM 438 NH1 ARG A 30 -1.049 -0.413 4.294 1.00 0.00 N ATOM 439 NH2 ARG A 30 -2.164 -0.623 6.249 1.00 0.00 N ATOM 0 H ARG A 30 -6.417 1.963 1.778 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.288 3.556 3.205 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.090 1.735 0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.838 2.867 1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.893 0.634 3.019 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.442 0.498 2.046 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.215 1.927 3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.589 2.963 3.764 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.248 1.503 5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.861 0.104 3.435 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.554 -1.284 4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.848 -0.271 6.919 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.668 -1.494 6.437 1.00 0.00 H new ATOM 453 N CYS A 31 -4.428 5.327 1.367 1.00 0.00 N ATOM 454 CA CYS A 31 -4.836 6.472 0.503 1.00 0.00 C ATOM 455 C CYS A 31 -3.869 6.620 -0.673 1.00 0.00 C ATOM 456 O CYS A 31 -2.729 6.205 -0.610 1.00 0.00 O ATOM 457 CB CYS A 31 -4.769 7.699 1.413 1.00 0.00 C ATOM 458 SG CYS A 31 -6.366 7.925 2.232 1.00 0.00 S ATOM 0 H CYS A 31 -3.573 5.470 1.905 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.830 6.334 0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.981 7.572 2.156 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.518 8.585 0.830 1.00 0.00 H new ATOM 463 N LEU A 32 -4.316 7.211 -1.748 1.00 0.00 N ATOM 464 CA LEU A 32 -3.423 7.385 -2.930 1.00 0.00 C ATOM 465 C LEU A 32 -2.167 8.162 -2.532 1.00 0.00 C ATOM 466 O LEU A 32 -1.772 8.177 -1.383 1.00 0.00 O ATOM 467 CB LEU A 32 -4.253 8.183 -3.936 1.00 0.00 C ATOM 468 CG LEU A 32 -5.505 7.391 -4.312 1.00 0.00 C ATOM 469 CD1 LEU A 32 -6.387 8.232 -5.235 1.00 0.00 C ATOM 470 CD2 LEU A 32 -5.095 6.104 -5.035 1.00 0.00 C ATOM 0 H LEU A 32 -5.260 7.581 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.089 6.433 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.534 9.145 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.661 8.391 -4.827 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.061 7.142 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.279 7.665 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.679 9.149 -4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.832 8.482 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.987 5.538 -5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.539 6.355 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.467 5.502 -4.378 1.00 0.00 H new ATOM 482 N LEU A 33 -1.536 8.809 -3.473 1.00 0.00 N ATOM 483 CA LEU A 33 -0.306 9.585 -3.147 1.00 0.00 C ATOM 484 C LEU A 33 -0.668 11.033 -2.807 1.00 0.00 C ATOM 485 O LEU A 33 -1.579 11.605 -3.370 1.00 0.00 O ATOM 486 CB LEU A 33 0.546 9.530 -4.416 1.00 0.00 C ATOM 487 CG LEU A 33 1.915 8.937 -4.085 1.00 0.00 C ATOM 488 CD1 LEU A 33 2.681 9.894 -3.171 1.00 0.00 C ATOM 489 CD2 LEU A 33 1.730 7.594 -3.374 1.00 0.00 C ATOM 0 H LEU A 33 -1.819 8.834 -4.453 1.00 0.00 H new ATOM 0 HA LEU A 33 0.221 9.178 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.049 8.925 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.662 10.531 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 33 2.477 8.788 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.657 9.470 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.813 10.851 -3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.119 10.044 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.706 7.170 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.167 7.744 -2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.185 6.910 -4.025 1.00 0.00 H new ATOM 501 N THR A 34 0.041 11.630 -1.886 1.00 0.00 N ATOM 502 CA THR A 34 -0.260 13.042 -1.508 1.00 0.00 C ATOM 503 C THR A 34 -1.606 13.123 -0.780 1.00 0.00 C ATOM 504 O THR A 34 -2.165 14.188 -0.610 1.00 0.00 O ATOM 505 CB THR A 34 -0.320 13.804 -2.833 1.00 0.00 C ATOM 506 OG1 THR A 34 0.588 13.219 -3.756 1.00 0.00 O ATOM 507 CG2 THR A 34 0.060 15.267 -2.600 1.00 0.00 C ATOM 0 H THR A 34 0.815 11.201 -1.379 1.00 0.00 H new ATOM 0 HA THR A 34 0.490 13.456 -0.833 1.00 0.00 H new ATOM 0 HB THR A 34 -1.332 13.753 -3.236 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.549 13.705 -4.606 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.017 15.809 -3.545 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.637 15.716 -1.892 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.071 15.320 -2.197 1.00 0.00 H new ATOM 515 N PHE A 35 -2.126 12.008 -0.347 1.00 0.00 N ATOM 516 CA PHE A 35 -3.434 12.027 0.371 1.00 0.00 C ATOM 517 C PHE A 35 -3.270 11.465 1.785 1.00 0.00 C ATOM 518 O PHE A 35 -2.599 10.474 1.996 1.00 0.00 O ATOM 519 CB PHE A 35 -4.358 11.129 -0.453 1.00 0.00 C ATOM 520 CG PHE A 35 -5.648 11.857 -0.743 1.00 0.00 C ATOM 521 CD1 PHE A 35 -5.626 13.054 -1.471 1.00 0.00 C ATOM 522 CD2 PHE A 35 -6.867 11.338 -0.285 1.00 0.00 C ATOM 523 CE1 PHE A 35 -6.821 13.730 -1.742 1.00 0.00 C ATOM 524 CE2 PHE A 35 -8.061 12.017 -0.557 1.00 0.00 C ATOM 525 CZ PHE A 35 -8.038 13.212 -1.285 1.00 0.00 C ATOM 0 H PHE A 35 -1.704 11.086 -0.458 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.831 13.037 0.471 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.870 10.848 -1.386 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.564 10.207 0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.687 13.455 -1.823 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.885 10.416 0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.804 14.652 -2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.001 11.618 -0.205 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.960 13.735 -1.494 1.00 0.00 H new ATOM 535 N LYS A 36 -3.885 12.085 2.753 1.00 0.00 N ATOM 536 CA LYS A 36 -3.772 11.582 4.151 1.00 0.00 C ATOM 537 C LYS A 36 -5.169 11.400 4.749 1.00 0.00 C ATOM 538 O LYS A 36 -5.985 12.299 4.722 1.00 0.00 O ATOM 539 CB LYS A 36 -3.001 12.667 4.905 1.00 0.00 C ATOM 540 CG LYS A 36 -1.596 12.797 4.318 1.00 0.00 C ATOM 541 CD LYS A 36 -0.561 12.444 5.390 1.00 0.00 C ATOM 542 CE LYS A 36 -0.345 13.648 6.309 1.00 0.00 C ATOM 543 NZ LYS A 36 0.676 13.200 7.295 1.00 0.00 N ATOM 0 H LYS A 36 -4.461 12.919 2.637 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.268 10.617 4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.527 13.619 4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.942 12.416 5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.486 12.135 3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.432 13.813 3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.901 11.587 5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.380 12.158 4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.002 14.516 5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.272 13.938 6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.878 13.973 7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.315 12.377 7.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.549 12.937 6.795 1.00 0.00 H new ATOM 557 N GLU A 37 -5.453 10.245 5.285 1.00 0.00 N ATOM 558 CA GLU A 37 -6.802 10.019 5.875 1.00 0.00 C ATOM 559 C GLU A 37 -6.811 10.415 7.351 1.00 0.00 C ATOM 560 O GLU A 37 -6.109 9.847 8.164 1.00 0.00 O ATOM 561 CB GLU A 37 -7.059 8.519 5.716 1.00 0.00 C ATOM 562 CG GLU A 37 -8.280 8.305 4.818 1.00 0.00 C ATOM 563 CD GLU A 37 -8.654 6.821 4.810 1.00 0.00 C ATOM 564 OE1 GLU A 37 -9.408 6.415 5.678 1.00 0.00 O ATOM 565 OE2 GLU A 37 -8.179 6.116 3.935 1.00 0.00 O ATOM 0 H GLU A 37 -4.813 9.452 5.340 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.571 10.617 5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.185 8.033 5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.226 8.062 6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.119 8.900 5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.063 8.642 3.804 1.00 0.00 H new ATOM 572 N GLU A 38 -7.606 11.388 7.702 1.00 0.00 N ATOM 573 CA GLU A 38 -7.667 11.826 9.126 1.00 0.00 C ATOM 574 C GLU A 38 -9.126 11.943 9.577 1.00 0.00 C ATOM 575 O GLU A 38 -9.801 12.910 9.283 1.00 0.00 O ATOM 576 CB GLU A 38 -6.985 13.195 9.151 1.00 0.00 C ATOM 577 CG GLU A 38 -5.671 13.096 9.929 1.00 0.00 C ATOM 578 CD GLU A 38 -5.968 13.005 11.426 1.00 0.00 C ATOM 579 OE1 GLU A 38 -6.468 13.977 11.971 1.00 0.00 O ATOM 580 OE2 GLU A 38 -5.693 11.966 12.003 1.00 0.00 O ATOM 0 H GLU A 38 -8.216 11.899 7.064 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.181 11.119 9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.793 13.536 8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.641 13.931 9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.110 12.219 9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.048 13.967 9.724 1.00 0.00 H new ATOM 587 N GLY A 39 -9.618 10.965 10.288 1.00 0.00 N ATOM 588 CA GLY A 39 -11.032 11.021 10.755 1.00 0.00 C ATOM 589 C GLY A 39 -11.895 10.110 9.880 1.00 0.00 C ATOM 590 O GLY A 39 -13.097 10.267 9.802 1.00 0.00 O ATOM 0 H GLY A 39 -9.102 10.130 10.565 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.095 10.708 11.797 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.402 12.045 10.707 1.00 0.00 H new ATOM 594 N GLY A 40 -11.291 9.158 9.222 1.00 0.00 N ATOM 595 CA GLY A 40 -12.077 8.237 8.353 1.00 0.00 C ATOM 596 C GLY A 40 -12.137 8.802 6.931 1.00 0.00 C ATOM 597 O GLY A 40 -12.586 8.145 6.012 1.00 0.00 O ATOM 0 H GLY A 40 -10.287 8.978 9.249 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.618 7.249 8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.085 8.117 8.751 1.00 0.00 H new ATOM 601 N LYS A 41 -11.690 10.012 6.742 1.00 0.00 N ATOM 602 CA LYS A 41 -11.721 10.616 5.379 1.00 0.00 C ATOM 603 C LYS A 41 -10.308 11.022 4.950 1.00 0.00 C ATOM 604 O LYS A 41 -9.461 11.314 5.768 1.00 0.00 O ATOM 605 CB LYS A 41 -12.617 11.849 5.512 1.00 0.00 C ATOM 606 CG LYS A 41 -14.082 11.431 5.384 1.00 0.00 C ATOM 607 CD LYS A 41 -14.481 11.411 3.907 1.00 0.00 C ATOM 608 CE LYS A 41 -15.935 10.952 3.777 1.00 0.00 C ATOM 609 NZ LYS A 41 -16.252 11.087 2.328 1.00 0.00 N ATOM 0 H LYS A 41 -11.304 10.610 7.473 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.094 9.921 4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.448 12.332 6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.367 12.578 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.230 10.445 5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.718 12.124 5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.362 12.404 3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.826 10.740 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.056 9.922 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.599 11.566 4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.234 10.790 2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.135 12.079 2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.609 10.486 1.774 1.00 0.00 H new ATOM 623 N CYS A 42 -10.048 11.039 3.670 1.00 0.00 N ATOM 624 CA CYS A 42 -8.689 11.425 3.193 1.00 0.00 C ATOM 625 C CYS A 42 -8.747 12.751 2.432 1.00 0.00 C ATOM 626 O CYS A 42 -9.717 13.061 1.773 1.00 0.00 O ATOM 627 CB CYS A 42 -8.255 10.291 2.263 1.00 0.00 C ATOM 628 SG CYS A 42 -6.501 9.917 2.541 1.00 0.00 S ATOM 0 H CYS A 42 -10.716 10.803 2.936 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.990 11.565 4.018 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.861 9.404 2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.416 10.577 1.224 1.00 0.00 H new ATOM 633 N VAL A 43 -7.708 13.533 2.522 1.00 0.00 N ATOM 634 CA VAL A 43 -7.692 14.842 1.807 1.00 0.00 C ATOM 635 C VAL A 43 -6.309 15.091 1.200 1.00 0.00 C ATOM 636 O VAL A 43 -5.352 14.428 1.547 1.00 0.00 O ATOM 637 CB VAL A 43 -8.000 15.883 2.884 1.00 0.00 C ATOM 638 CG1 VAL A 43 -9.151 15.387 3.763 1.00 0.00 C ATOM 639 CG2 VAL A 43 -6.756 16.103 3.750 1.00 0.00 C ATOM 0 H VAL A 43 -6.867 13.323 3.060 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.411 14.878 0.988 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.285 16.822 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.369 16.130 4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.037 15.230 3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.867 14.448 4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.974 16.845 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.471 15.163 4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.936 16.458 3.126 1.00 0.00 H new ATOM 649 N PRO A 44 -6.251 16.048 0.315 1.00 0.00 N ATOM 650 CA PRO A 44 -4.969 16.393 -0.342 1.00 0.00 C ATOM 651 C PRO A 44 -3.912 16.727 0.713 1.00 0.00 C ATOM 652 O PRO A 44 -4.189 17.388 1.694 1.00 0.00 O ATOM 653 CB PRO A 44 -5.296 17.622 -1.194 1.00 0.00 C ATOM 654 CG PRO A 44 -6.664 18.069 -0.773 1.00 0.00 C ATOM 655 CD PRO A 44 -7.354 16.886 -0.151 1.00 0.00 C ATOM 0 HA PRO A 44 -4.566 15.575 -0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.562 18.412 -1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.276 17.376 -2.256 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.596 18.892 -0.061 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.229 18.435 -1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.003 17.188 0.671 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.978 16.361 -0.874 1.00 0.00 H new ATOM 663 N ALA A 45 -2.702 16.273 0.523 1.00 0.00 N ATOM 664 CA ALA A 45 -1.635 16.566 1.520 1.00 0.00 C ATOM 665 C ALA A 45 -0.677 17.629 0.976 1.00 0.00 C ATOM 666 O ALA A 45 -1.027 18.409 0.113 1.00 0.00 O ATOM 667 CB ALA A 45 -0.904 15.237 1.718 1.00 0.00 C ATOM 0 H ALA A 45 -2.408 15.714 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.039 16.954 2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.099 15.369 2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.605 14.488 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.486 14.906 0.767 1.00 0.00 H new ATOM 673 N SER A 46 0.528 17.667 1.475 1.00 0.00 N ATOM 674 CA SER A 46 1.505 18.683 0.985 1.00 0.00 C ATOM 675 C SER A 46 2.916 18.338 1.468 1.00 0.00 C ATOM 676 O SER A 46 3.775 17.968 0.692 1.00 0.00 O ATOM 677 CB SER A 46 1.040 20.003 1.595 1.00 0.00 C ATOM 678 OG SER A 46 1.310 21.061 0.686 1.00 0.00 O ATOM 0 H SER A 46 0.879 17.040 2.199 1.00 0.00 H new ATOM 0 HA SER A 46 1.544 18.726 -0.103 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.027 19.960 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.553 20.181 2.540 1.00 0.00 H new ATOM 0 HG SER A 46 1.011 21.910 1.074 1.00 0.00 H new ATOM 684 N ASN A 47 3.164 18.458 2.744 1.00 0.00 N ATOM 685 CA ASN A 47 4.521 18.140 3.272 1.00 0.00 C ATOM 686 C ASN A 47 4.749 16.624 3.277 1.00 0.00 C ATOM 687 O ASN A 47 5.790 16.147 3.685 1.00 0.00 O ATOM 688 CB ASN A 47 4.534 18.690 4.701 1.00 0.00 C ATOM 689 CG ASN A 47 3.269 18.243 5.439 1.00 0.00 C ATOM 690 OD1 ASN A 47 2.455 19.059 5.819 1.00 0.00 O ATOM 691 ND2 ASN A 47 3.072 16.973 5.657 1.00 0.00 N ATOM 0 H ASN A 47 2.486 18.762 3.443 1.00 0.00 H new ATOM 0 HA ASN A 47 5.311 18.577 2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.419 18.335 5.229 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.589 19.778 4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.233 16.664 6.148 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.757 16.288 5.337 1.00 0.00 H new ATOM 698 N VAL A 48 3.787 15.864 2.829 1.00 0.00 N ATOM 699 CA VAL A 48 3.956 14.383 2.809 1.00 0.00 C ATOM 700 C VAL A 48 5.210 14.007 2.017 1.00 0.00 C ATOM 701 O VAL A 48 5.348 14.344 0.857 1.00 0.00 O ATOM 702 CB VAL A 48 2.703 13.851 2.115 1.00 0.00 C ATOM 703 CG1 VAL A 48 2.571 14.496 0.734 1.00 0.00 C ATOM 704 CG2 VAL A 48 2.813 12.331 1.958 1.00 0.00 C ATOM 0 H VAL A 48 2.892 16.204 2.476 1.00 0.00 H new ATOM 0 HA VAL A 48 4.075 13.966 3.809 1.00 0.00 H new ATOM 0 HB VAL A 48 1.826 14.093 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.677 14.116 0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.493 15.578 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.448 14.254 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.919 11.951 1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.691 12.090 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.907 11.870 2.941 1.00 0.00 H new ATOM 714 N THR A 49 6.128 13.314 2.633 1.00 0.00 N ATOM 715 CA THR A 49 7.375 12.922 1.915 1.00 0.00 C ATOM 716 C THR A 49 8.269 12.079 2.827 1.00 0.00 C ATOM 717 O THR A 49 7.954 11.847 3.977 1.00 0.00 O ATOM 718 CB THR A 49 8.061 14.245 1.571 1.00 0.00 C ATOM 719 OG1 THR A 49 7.511 15.283 2.369 1.00 0.00 O ATOM 720 CG2 THR A 49 7.843 14.566 0.093 1.00 0.00 C ATOM 0 H THR A 49 6.069 13.002 3.602 1.00 0.00 H new ATOM 0 HA THR A 49 7.171 12.322 1.028 1.00 0.00 H new ATOM 0 HB THR A 49 9.130 14.162 1.768 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.831 16.150 2.044 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.332 15.509 -0.151 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.266 13.769 -0.519 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.775 14.649 -0.108 1.00 0.00 H new ATOM 728 N CYS A 50 9.380 11.621 2.323 1.00 0.00 N ATOM 729 CA CYS A 50 10.293 10.796 3.167 1.00 0.00 C ATOM 730 C CYS A 50 10.422 11.419 4.560 1.00 0.00 C ATOM 731 O CYS A 50 10.475 10.728 5.556 1.00 0.00 O ATOM 732 CB CYS A 50 11.637 10.819 2.440 1.00 0.00 C ATOM 733 SG CYS A 50 11.678 9.489 1.212 1.00 0.00 S ATOM 0 H CYS A 50 9.696 11.781 1.366 1.00 0.00 H new ATOM 0 HA CYS A 50 9.926 9.779 3.304 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.783 11.783 1.953 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.451 10.695 3.154 1.00 0.00 H new ATOM 738 N LYS A 51 10.464 12.723 4.635 1.00 0.00 N ATOM 739 CA LYS A 51 10.582 13.386 5.965 1.00 0.00 C ATOM 740 C LYS A 51 9.376 13.025 6.835 1.00 0.00 C ATOM 741 O LYS A 51 9.453 13.013 8.047 1.00 0.00 O ATOM 742 CB LYS A 51 10.596 14.886 5.661 1.00 0.00 C ATOM 743 CG LYS A 51 9.436 15.230 4.725 1.00 0.00 C ATOM 744 CD LYS A 51 8.851 16.588 5.114 1.00 0.00 C ATOM 745 CE LYS A 51 9.415 17.671 4.190 1.00 0.00 C ATOM 746 NZ LYS A 51 9.050 18.959 4.842 1.00 0.00 N ATOM 0 H LYS A 51 10.422 13.355 3.836 1.00 0.00 H new ATOM 0 HA LYS A 51 11.474 13.075 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.511 15.456 6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.544 15.165 5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.783 15.254 3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.666 14.460 4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.764 16.562 5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.095 16.817 6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.495 17.575 4.082 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.987 17.599 3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.403 19.751 4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.015 19.025 4.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.477 19.002 5.789 1.00 0.00 H new ATOM 760 N ASP A 52 8.265 12.721 6.221 1.00 0.00 N ATOM 761 CA ASP A 52 7.053 12.351 7.006 1.00 0.00 C ATOM 762 C ASP A 52 6.865 10.833 6.983 1.00 0.00 C ATOM 763 O ASP A 52 7.812 10.081 7.101 1.00 0.00 O ATOM 764 CB ASP A 52 5.891 13.050 6.299 1.00 0.00 C ATOM 765 CG ASP A 52 4.740 13.250 7.285 1.00 0.00 C ATOM 766 OD1 ASP A 52 4.483 12.341 8.058 1.00 0.00 O ATOM 767 OD2 ASP A 52 4.132 14.308 7.249 1.00 0.00 O ATOM 0 H ASP A 52 8.144 12.713 5.208 1.00 0.00 H new ATOM 0 HA ASP A 52 7.126 12.650 8.052 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.217 14.012 5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.557 12.454 5.450 1.00 0.00 H new ATOM 772 N ASN A 53 5.654 10.371 6.824 1.00 0.00 N ATOM 773 CA ASN A 53 5.425 8.908 6.785 1.00 0.00 C ATOM 774 C ASN A 53 5.485 8.416 5.341 1.00 0.00 C ATOM 775 O ASN A 53 4.617 8.689 4.537 1.00 0.00 O ATOM 776 CB ASN A 53 4.024 8.709 7.364 1.00 0.00 C ATOM 777 CG ASN A 53 3.656 7.224 7.314 1.00 0.00 C ATOM 778 OD1 ASN A 53 4.373 6.390 7.831 1.00 0.00 O ATOM 779 ND2 ASN A 53 2.559 6.856 6.709 1.00 0.00 N ATOM 0 H ASN A 53 4.818 10.946 6.720 1.00 0.00 H new ATOM 0 HA ASN A 53 6.176 8.352 7.347 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.990 9.068 8.392 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.299 9.293 6.798 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.304 5.869 6.671 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.957 7.555 6.275 1.00 0.00 H new ATOM 786 N ASN A 54 6.506 7.683 5.025 1.00 0.00 N ATOM 787 CA ASN A 54 6.662 7.138 3.642 1.00 0.00 C ATOM 788 C ASN A 54 6.153 8.134 2.590 1.00 0.00 C ATOM 789 O ASN A 54 5.763 7.754 1.507 1.00 0.00 O ATOM 790 CB ASN A 54 5.815 5.866 3.632 1.00 0.00 C ATOM 791 CG ASN A 54 6.725 4.644 3.751 1.00 0.00 C ATOM 792 OD1 ASN A 54 6.846 4.061 4.810 1.00 0.00 O ATOM 793 ND2 ASN A 54 7.375 4.229 2.700 1.00 0.00 N ATOM 0 H ASN A 54 7.254 7.430 5.670 1.00 0.00 H new ATOM 0 HA ASN A 54 7.706 6.947 3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.104 5.884 4.458 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.234 5.811 2.712 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.985 3.415 2.767 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.273 4.719 1.811 1.00 0.00 H new ATOM 800 N GLY A 55 6.155 9.403 2.894 1.00 0.00 N ATOM 801 CA GLY A 55 5.670 10.416 1.907 1.00 0.00 C ATOM 802 C GLY A 55 4.470 9.863 1.130 1.00 0.00 C ATOM 803 O GLY A 55 4.239 10.226 -0.008 1.00 0.00 O ATOM 0 H GLY A 55 6.472 9.785 3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.387 11.333 2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.472 10.675 1.216 1.00 0.00 H new ATOM 807 N GLY A 56 3.699 8.993 1.727 1.00 0.00 N ATOM 808 CA GLY A 56 2.517 8.429 1.011 1.00 0.00 C ATOM 809 C GLY A 56 2.883 7.068 0.415 1.00 0.00 C ATOM 810 O GLY A 56 2.194 6.551 -0.442 1.00 0.00 O ATOM 0 H GLY A 56 3.836 8.649 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.678 8.323 1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.198 9.110 0.222 1.00 0.00 H new ATOM 814 N CYS A 57 3.961 6.489 0.861 1.00 0.00 N ATOM 815 CA CYS A 57 4.379 5.164 0.325 1.00 0.00 C ATOM 816 C CYS A 57 4.062 4.062 1.339 1.00 0.00 C ATOM 817 O CYS A 57 3.216 4.219 2.197 1.00 0.00 O ATOM 818 CB CYS A 57 5.887 5.291 0.112 1.00 0.00 C ATOM 819 SG CYS A 57 6.205 6.053 -1.497 1.00 0.00 S ATOM 0 H CYS A 57 4.574 6.878 1.577 1.00 0.00 H new ATOM 0 HA CYS A 57 3.859 4.900 -0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.328 5.894 0.906 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.356 4.308 0.160 1.00 0.00 H new ATOM 824 N ALA A 58 4.729 2.943 1.246 1.00 0.00 N ATOM 825 CA ALA A 58 4.456 1.833 2.203 1.00 0.00 C ATOM 826 C ALA A 58 5.747 1.402 2.906 1.00 0.00 C ATOM 827 O ALA A 58 6.832 1.747 2.481 1.00 0.00 O ATOM 828 CB ALA A 58 3.912 0.703 1.332 1.00 0.00 C ATOM 0 H ALA A 58 5.449 2.750 0.550 1.00 0.00 H new ATOM 0 HA ALA A 58 3.758 2.122 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.683 -0.160 1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.005 1.037 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.659 0.424 0.589 1.00 0.00 H new ATOM 834 N PRO A 59 5.580 0.657 3.966 1.00 0.00 N ATOM 835 CA PRO A 59 6.746 0.169 4.745 1.00 0.00 C ATOM 836 C PRO A 59 7.568 -0.818 3.912 1.00 0.00 C ATOM 837 O PRO A 59 8.783 -0.789 3.919 1.00 0.00 O ATOM 838 CB PRO A 59 6.120 -0.531 5.951 1.00 0.00 C ATOM 839 CG PRO A 59 4.704 -0.819 5.558 1.00 0.00 C ATOM 840 CD PRO A 59 4.305 0.207 4.530 1.00 0.00 C ATOM 0 HA PRO A 59 7.427 0.970 5.034 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.655 -1.450 6.192 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.160 0.103 6.837 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.616 -1.826 5.150 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.047 -0.768 6.426 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.660 -0.225 3.765 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.755 1.032 4.982 1.00 0.00 H new ATOM 848 N GLU A 60 6.916 -1.687 3.189 1.00 0.00 N ATOM 849 CA GLU A 60 7.663 -2.669 2.352 1.00 0.00 C ATOM 850 C GLU A 60 8.322 -1.948 1.174 1.00 0.00 C ATOM 851 O GLU A 60 9.157 -2.497 0.481 1.00 0.00 O ATOM 852 CB GLU A 60 6.605 -3.654 1.855 1.00 0.00 C ATOM 853 CG GLU A 60 6.811 -5.010 2.535 1.00 0.00 C ATOM 854 CD GLU A 60 5.803 -5.166 3.675 1.00 0.00 C ATOM 855 OE1 GLU A 60 4.709 -4.643 3.548 1.00 0.00 O ATOM 856 OE2 GLU A 60 6.144 -5.807 4.656 1.00 0.00 O ATOM 0 H GLU A 60 5.900 -1.760 3.141 1.00 0.00 H new ATOM 0 HA GLU A 60 8.455 -3.173 2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.607 -3.273 2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.674 -3.764 0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.685 -5.815 1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.828 -5.085 2.921 1.00 0.00 H new ATOM 863 N ALA A 61 7.952 -0.719 0.948 1.00 0.00 N ATOM 864 CA ALA A 61 8.549 0.051 -0.179 1.00 0.00 C ATOM 865 C ALA A 61 9.543 1.082 0.360 1.00 0.00 C ATOM 866 O ALA A 61 9.417 1.556 1.472 1.00 0.00 O ATOM 867 CB ALA A 61 7.367 0.748 -0.854 1.00 0.00 C ATOM 0 H ALA A 61 7.258 -0.212 1.498 1.00 0.00 H new ATOM 0 HA ALA A 61 9.095 -0.587 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.726 1.338 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.658 0.000 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.873 1.404 -0.137 1.00 0.00 H new ATOM 873 N GLU A 62 10.530 1.434 -0.414 1.00 0.00 N ATOM 874 CA GLU A 62 11.527 2.434 0.061 1.00 0.00 C ATOM 875 C GLU A 62 11.078 3.841 -0.336 1.00 0.00 C ATOM 876 O GLU A 62 10.477 4.042 -1.372 1.00 0.00 O ATOM 877 CB GLU A 62 12.832 2.065 -0.645 1.00 0.00 C ATOM 878 CG GLU A 62 13.867 3.167 -0.414 1.00 0.00 C ATOM 879 CD GLU A 62 14.971 2.647 0.509 1.00 0.00 C ATOM 880 OE1 GLU A 62 15.821 1.916 0.029 1.00 0.00 O ATOM 881 OE2 GLU A 62 14.946 2.991 1.679 1.00 0.00 O ATOM 0 H GLU A 62 10.690 1.073 -1.355 1.00 0.00 H new ATOM 0 HA GLU A 62 11.641 2.426 1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.207 1.114 -0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.656 1.935 -1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.294 3.485 -1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.390 4.041 0.029 1.00 0.00 H new ATOM 888 N CYS A 63 11.354 4.816 0.485 1.00 0.00 N ATOM 889 CA CYS A 63 10.930 6.202 0.158 1.00 0.00 C ATOM 890 C CYS A 63 12.120 7.015 -0.357 1.00 0.00 C ATOM 891 O CYS A 63 13.143 7.134 0.287 1.00 0.00 O ATOM 892 CB CYS A 63 10.376 6.768 1.479 1.00 0.00 C ATOM 893 SG CYS A 63 11.619 7.794 2.310 1.00 0.00 S ATOM 0 H CYS A 63 11.855 4.711 1.367 1.00 0.00 H new ATOM 0 HA CYS A 63 10.180 6.238 -0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.483 7.360 1.280 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.077 5.950 2.134 1.00 0.00 H new ATOM 898 N LYS A 64 11.986 7.571 -1.526 1.00 0.00 N ATOM 899 CA LYS A 64 13.092 8.381 -2.108 1.00 0.00 C ATOM 900 C LYS A 64 12.588 9.793 -2.414 1.00 0.00 C ATOM 901 O LYS A 64 11.399 10.034 -2.471 1.00 0.00 O ATOM 902 CB LYS A 64 13.481 7.657 -3.397 1.00 0.00 C ATOM 903 CG LYS A 64 14.342 8.579 -4.262 1.00 0.00 C ATOM 904 CD LYS A 64 14.590 7.921 -5.621 1.00 0.00 C ATOM 905 CE LYS A 64 14.592 8.992 -6.714 1.00 0.00 C ATOM 906 NZ LYS A 64 15.330 8.377 -7.852 1.00 0.00 N ATOM 0 H LYS A 64 11.152 7.499 -2.109 1.00 0.00 H new ATOM 0 HA LYS A 64 13.941 8.479 -1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.029 6.745 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.586 7.360 -3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.843 9.539 -4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.291 8.780 -3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.544 7.393 -5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.817 7.180 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.577 9.264 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.081 9.904 -6.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.374 9.052 -8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.295 8.135 -7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.837 7.515 -8.160 1.00 0.00 H new ATOM 920 N MET A 65 13.474 10.729 -2.609 1.00 0.00 N ATOM 921 CA MET A 65 13.022 12.117 -2.909 1.00 0.00 C ATOM 922 C MET A 65 13.703 12.645 -4.170 1.00 0.00 C ATOM 923 O MET A 65 14.838 12.322 -4.459 1.00 0.00 O ATOM 924 CB MET A 65 13.431 12.942 -1.691 1.00 0.00 C ATOM 925 CG MET A 65 12.452 14.102 -1.519 1.00 0.00 C ATOM 926 SD MET A 65 12.739 14.902 0.078 1.00 0.00 S ATOM 927 CE MET A 65 11.042 14.774 0.687 1.00 0.00 C ATOM 0 H MET A 65 14.485 10.595 -2.574 1.00 0.00 H new ATOM 0 HA MET A 65 11.949 12.165 -3.092 1.00 0.00 H new ATOM 0 HB2 MET A 65 13.434 12.317 -0.798 1.00 0.00 H new ATOM 0 HB3 MET A 65 14.445 13.322 -1.818 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.580 14.823 -2.327 1.00 0.00 H new ATOM 0 HG3 MET A 65 11.426 13.738 -1.576 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.602 15.769 0.749 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.456 14.160 0.004 1.00 0.00 H new ATOM 0 HE3 MET A 65 11.044 14.316 1.676 1.00 0.00 H new ATOM 937 N THR A 66 13.014 13.454 -4.927 1.00 0.00 N ATOM 938 CA THR A 66 13.616 14.005 -6.174 1.00 0.00 C ATOM 939 C THR A 66 14.225 15.385 -5.908 1.00 0.00 C ATOM 940 O THR A 66 14.182 15.892 -4.806 1.00 0.00 O ATOM 941 CB THR A 66 12.451 14.114 -7.160 1.00 0.00 C ATOM 942 OG1 THR A 66 11.643 15.230 -6.814 1.00 0.00 O ATOM 943 CG2 THR A 66 11.611 12.836 -7.105 1.00 0.00 C ATOM 0 H THR A 66 12.059 13.758 -4.736 1.00 0.00 H new ATOM 0 HA THR A 66 14.419 13.375 -6.557 1.00 0.00 H new ATOM 0 HB THR A 66 12.840 14.246 -8.170 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.897 15.302 -7.446 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.782 12.915 -7.808 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.232 11.981 -7.371 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.220 12.701 -6.097 1.00 0.00 H new ATOM 951 N ASP A 67 14.789 15.993 -6.915 1.00 0.00 N ATOM 952 CA ASP A 67 15.403 17.340 -6.731 1.00 0.00 C ATOM 953 C ASP A 67 14.348 18.348 -6.264 1.00 0.00 C ATOM 954 O ASP A 67 14.668 19.436 -5.830 1.00 0.00 O ATOM 955 CB ASP A 67 15.934 17.723 -8.113 1.00 0.00 C ATOM 956 CG ASP A 67 16.806 18.974 -7.996 1.00 0.00 C ATOM 957 OD1 ASP A 67 17.789 18.922 -7.275 1.00 0.00 O ATOM 958 OD2 ASP A 67 16.477 19.965 -8.627 1.00 0.00 O ATOM 0 H ASP A 67 14.852 15.615 -7.860 1.00 0.00 H new ATOM 0 HA ASP A 67 16.190 17.334 -5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.514 16.901 -8.532 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.104 17.908 -8.795 1.00 0.00 H new ATOM 963 N SER A 68 13.096 17.995 -6.351 1.00 0.00 N ATOM 964 CA SER A 68 12.024 18.935 -5.913 1.00 0.00 C ATOM 965 C SER A 68 11.556 18.565 -4.507 1.00 0.00 C ATOM 966 O SER A 68 10.586 19.095 -4.003 1.00 0.00 O ATOM 967 CB SER A 68 10.894 18.747 -6.924 1.00 0.00 C ATOM 968 OG SER A 68 9.646 18.793 -6.245 1.00 0.00 O ATOM 0 H SER A 68 12.768 17.097 -6.706 1.00 0.00 H new ATOM 0 HA SER A 68 12.364 19.970 -5.877 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.937 19.527 -7.684 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.006 17.793 -7.439 1.00 0.00 H new ATOM 0 HG SER A 68 9.695 19.443 -5.513 1.00 0.00 H new ATOM 974 N ASN A 69 12.241 17.655 -3.872 1.00 0.00 N ATOM 975 CA ASN A 69 11.846 17.242 -2.499 1.00 0.00 C ATOM 976 C ASN A 69 10.555 16.419 -2.545 1.00 0.00 C ATOM 977 O ASN A 69 9.862 16.279 -1.557 1.00 0.00 O ATOM 978 CB ASN A 69 11.629 18.545 -1.729 1.00 0.00 C ATOM 979 CG ASN A 69 12.161 18.390 -0.303 1.00 0.00 C ATOM 980 OD1 ASN A 69 11.430 18.563 0.652 1.00 0.00 O ATOM 981 ND2 ASN A 69 13.413 18.069 -0.116 1.00 0.00 N ATOM 0 H ASN A 69 13.061 17.178 -4.248 1.00 0.00 H new ATOM 0 HA ASN A 69 12.604 16.618 -2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.140 19.366 -2.232 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.568 18.795 -1.708 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.776 17.964 0.831 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.027 17.924 -0.917 1.00 0.00 H new ATOM 988 N LYS A 70 10.236 15.865 -3.683 1.00 0.00 N ATOM 989 CA LYS A 70 8.998 15.043 -3.787 1.00 0.00 C ATOM 990 C LYS A 70 9.321 13.592 -3.428 1.00 0.00 C ATOM 991 O LYS A 70 10.301 13.039 -3.884 1.00 0.00 O ATOM 992 CB LYS A 70 8.569 15.155 -5.250 1.00 0.00 C ATOM 993 CG LYS A 70 7.421 16.159 -5.371 1.00 0.00 C ATOM 994 CD LYS A 70 7.784 17.444 -4.622 1.00 0.00 C ATOM 995 CE LYS A 70 6.920 17.564 -3.365 1.00 0.00 C ATOM 996 NZ LYS A 70 6.882 19.022 -3.063 1.00 0.00 N ATOM 0 H LYS A 70 10.778 15.946 -4.543 1.00 0.00 H new ATOM 0 HA LYS A 70 8.210 15.378 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.411 15.474 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.254 14.180 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.226 16.380 -6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.506 15.732 -4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.840 17.433 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.629 18.309 -5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.918 17.170 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.348 17.000 -2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.307 19.185 -2.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.849 19.368 -2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.464 19.532 -3.867 1.00 0.00 H new ATOM 1010 N ILE A 71 8.522 12.976 -2.604 1.00 0.00 N ATOM 1011 CA ILE A 71 8.812 11.569 -2.214 1.00 0.00 C ATOM 1012 C ILE A 71 8.461 10.601 -3.344 1.00 0.00 C ATOM 1013 O ILE A 71 7.363 10.606 -3.864 1.00 0.00 O ATOM 1014 CB ILE A 71 7.933 11.303 -0.993 1.00 0.00 C ATOM 1015 CG1 ILE A 71 7.956 9.808 -0.668 1.00 0.00 C ATOM 1016 CG2 ILE A 71 6.494 11.733 -1.292 1.00 0.00 C ATOM 1017 CD1 ILE A 71 9.377 9.275 -0.834 1.00 0.00 C ATOM 0 H ILE A 71 7.685 13.383 -2.186 1.00 0.00 H new ATOM 0 HA ILE A 71 9.871 11.423 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 71 8.313 11.870 -0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.610 9.641 0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.275 9.271 -1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.869 11.542 -0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.474 12.797 -1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.114 11.166 -2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.395 8.210 -0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.706 9.429 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.046 9.805 -0.156 1.00 0.00 H new ATOM 1029 N VAL A 72 9.386 9.760 -3.713 1.00 0.00 N ATOM 1030 CA VAL A 72 9.116 8.775 -4.795 1.00 0.00 C ATOM 1031 C VAL A 72 8.792 7.412 -4.179 1.00 0.00 C ATOM 1032 O VAL A 72 9.308 7.053 -3.140 1.00 0.00 O ATOM 1033 CB VAL A 72 10.413 8.707 -5.604 1.00 0.00 C ATOM 1034 CG1 VAL A 72 10.364 7.507 -6.550 1.00 0.00 C ATOM 1035 CG2 VAL A 72 10.572 9.993 -6.418 1.00 0.00 C ATOM 0 H VAL A 72 10.322 9.713 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 72 8.268 9.058 -5.418 1.00 0.00 H new ATOM 0 HB VAL A 72 11.259 8.598 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.288 7.460 -7.126 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.250 6.591 -5.970 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.518 7.614 -7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.496 9.946 -6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.725 10.101 -7.096 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.608 10.848 -5.743 1.00 0.00 H new ATOM 1045 N CYS A 73 7.937 6.657 -4.805 1.00 0.00 N ATOM 1046 CA CYS A 73 7.573 5.322 -4.249 1.00 0.00 C ATOM 1047 C CYS A 73 8.252 4.202 -5.043 1.00 0.00 C ATOM 1048 O CYS A 73 8.200 4.166 -6.256 1.00 0.00 O ATOM 1049 CB CYS A 73 6.053 5.235 -4.403 1.00 0.00 C ATOM 1050 SG CYS A 73 5.308 4.809 -2.812 1.00 0.00 S ATOM 0 H CYS A 73 7.473 6.905 -5.679 1.00 0.00 H new ATOM 0 HA CYS A 73 7.893 5.210 -3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.658 6.187 -4.758 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.795 4.484 -5.150 1.00 0.00 H new ATOM 1055 N LYS A 74 8.886 3.286 -4.362 1.00 0.00 N ATOM 1056 CA LYS A 74 9.566 2.163 -5.070 1.00 0.00 C ATOM 1057 C LYS A 74 9.409 0.865 -4.271 1.00 0.00 C ATOM 1058 O LYS A 74 9.869 0.755 -3.152 1.00 0.00 O ATOM 1059 CB LYS A 74 11.037 2.572 -5.142 1.00 0.00 C ATOM 1060 CG LYS A 74 11.888 1.360 -5.525 1.00 0.00 C ATOM 1061 CD LYS A 74 13.191 1.834 -6.169 1.00 0.00 C ATOM 1062 CE LYS A 74 14.243 0.726 -6.070 1.00 0.00 C ATOM 1063 NZ LYS A 74 14.344 0.423 -4.616 1.00 0.00 N ATOM 0 H LYS A 74 8.963 3.267 -3.345 1.00 0.00 H new ATOM 0 HA LYS A 74 9.145 1.982 -6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.168 3.368 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.362 2.968 -4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.104 0.760 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.339 0.721 -6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.019 2.094 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.549 2.735 -5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.943 -0.155 -6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.201 1.054 -6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.317 0.133 -4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.098 1.271 -4.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.688 -0.347 -4.376 1.00 0.00 H new ATOM 1077 N CYS A 75 8.766 -0.120 -4.837 1.00 0.00 N ATOM 1078 CA CYS A 75 8.587 -1.408 -4.107 1.00 0.00 C ATOM 1079 C CYS A 75 9.317 -2.537 -4.836 1.00 0.00 C ATOM 1080 O CYS A 75 9.101 -2.773 -6.008 1.00 0.00 O ATOM 1081 CB CYS A 75 7.076 -1.658 -4.101 1.00 0.00 C ATOM 1082 SG CYS A 75 6.749 -3.393 -3.697 1.00 0.00 S ATOM 0 H CYS A 75 8.358 -0.089 -5.771 1.00 0.00 H new ATOM 0 HA CYS A 75 8.995 -1.368 -3.097 1.00 0.00 H new ATOM 0 HB2 CYS A 75 6.592 -1.007 -3.373 1.00 0.00 H new ATOM 0 HB3 CYS A 75 6.653 -1.415 -5.076 1.00 0.00 H new ATOM 1087 N THR A 76 10.180 -3.235 -4.152 1.00 0.00 N ATOM 1088 CA THR A 76 10.925 -4.349 -4.806 1.00 0.00 C ATOM 1089 C THR A 76 11.801 -5.069 -3.778 1.00 0.00 C ATOM 1090 O THR A 76 12.847 -5.600 -4.100 1.00 0.00 O ATOM 1091 CB THR A 76 11.791 -3.676 -5.872 1.00 0.00 C ATOM 1092 OG1 THR A 76 12.698 -4.624 -6.412 1.00 0.00 O ATOM 1093 CG2 THR A 76 12.570 -2.520 -5.242 1.00 0.00 C ATOM 0 H THR A 76 10.402 -3.083 -3.168 1.00 0.00 H new ATOM 0 HA THR A 76 10.259 -5.096 -5.237 1.00 0.00 H new ATOM 0 HB THR A 76 11.154 -3.291 -6.668 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.162 -5.085 -5.682 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.187 -2.040 -6.002 1.00 0.00 H new ATOM 0 HG22 THR A 76 11.871 -1.792 -4.830 1.00 0.00 H new ATOM 0 HG23 THR A 76 13.208 -2.903 -4.445 1.00 0.00 H new ATOM 1101 N LYS A 77 11.383 -5.092 -2.542 1.00 0.00 N ATOM 1102 CA LYS A 77 12.189 -5.775 -1.492 1.00 0.00 C ATOM 1103 C LYS A 77 12.048 -7.295 -1.619 1.00 0.00 C ATOM 1104 O LYS A 77 11.602 -7.965 -0.708 1.00 0.00 O ATOM 1105 CB LYS A 77 11.600 -5.292 -0.167 1.00 0.00 C ATOM 1106 CG LYS A 77 12.417 -5.862 0.994 1.00 0.00 C ATOM 1107 CD LYS A 77 11.474 -6.285 2.122 1.00 0.00 C ATOM 1108 CE LYS A 77 11.737 -7.749 2.484 1.00 0.00 C ATOM 1109 NZ LYS A 77 11.304 -7.875 3.904 1.00 0.00 N ATOM 0 H LYS A 77 10.516 -4.666 -2.214 1.00 0.00 H new ATOM 0 HA LYS A 77 13.252 -5.548 -1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.607 -4.203 -0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.560 -5.607 -0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.003 -6.717 0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.123 -5.115 1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.626 -5.650 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.437 -6.157 1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.175 -8.423 1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.791 -8.002 2.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.453 -8.852 4.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.861 -7.226 4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.295 -7.635 3.982 1.00 0.00 H new ATOM 1123 N GLU A 78 12.425 -7.845 -2.741 1.00 0.00 N ATOM 1124 CA GLU A 78 12.314 -9.321 -2.923 1.00 0.00 C ATOM 1125 C GLU A 78 10.842 -9.747 -2.914 1.00 0.00 C ATOM 1126 O GLU A 78 10.208 -9.798 -1.878 1.00 0.00 O ATOM 1127 CB GLU A 78 13.054 -9.923 -1.728 1.00 0.00 C ATOM 1128 CG GLU A 78 14.271 -10.706 -2.223 1.00 0.00 C ATOM 1129 CD GLU A 78 13.887 -12.170 -2.439 1.00 0.00 C ATOM 1130 OE1 GLU A 78 12.961 -12.414 -3.195 1.00 0.00 O ATOM 1131 OE2 GLU A 78 14.524 -13.024 -1.842 1.00 0.00 O ATOM 0 H GLU A 78 12.805 -7.337 -3.539 1.00 0.00 H new ATOM 0 HA GLU A 78 12.734 -9.653 -3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.369 -9.133 -1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.389 -10.580 -1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.639 -10.275 -3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.081 -10.635 -1.497 1.00 0.00 H new ATOM 1138 N GLY A 79 10.298 -10.055 -4.059 1.00 0.00 N ATOM 1139 CA GLY A 79 8.870 -10.481 -4.116 1.00 0.00 C ATOM 1140 C GLY A 79 7.972 -9.333 -3.652 1.00 0.00 C ATOM 1141 O GLY A 79 6.862 -9.543 -3.204 1.00 0.00 O ATOM 0 H GLY A 79 10.780 -10.030 -4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.608 -10.773 -5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.715 -11.355 -3.484 1.00 0.00 H new ATOM 1145 N SER A 80 8.442 -8.119 -3.754 1.00 0.00 N ATOM 1146 CA SER A 80 7.613 -6.961 -3.316 1.00 0.00 C ATOM 1147 C SER A 80 6.794 -6.421 -4.492 1.00 0.00 C ATOM 1148 O SER A 80 7.270 -6.335 -5.607 1.00 0.00 O ATOM 1149 CB SER A 80 8.617 -5.914 -2.838 1.00 0.00 C ATOM 1150 OG SER A 80 8.263 -5.487 -1.528 1.00 0.00 O ATOM 0 H SER A 80 9.363 -7.880 -4.121 1.00 0.00 H new ATOM 0 HA SER A 80 6.904 -7.233 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.623 -6.332 -2.837 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.626 -5.064 -3.520 1.00 0.00 H new ATOM 0 HG SER A 80 7.335 -5.172 -1.526 1.00 0.00 H new ATOM 1156 N GLU A 81 5.563 -6.058 -4.251 1.00 0.00 N ATOM 1157 CA GLU A 81 4.711 -5.523 -5.353 1.00 0.00 C ATOM 1158 C GLU A 81 3.937 -4.294 -4.872 1.00 0.00 C ATOM 1159 O GLU A 81 3.080 -4.399 -4.018 1.00 0.00 O ATOM 1160 CB GLU A 81 3.750 -6.661 -5.699 1.00 0.00 C ATOM 1161 CG GLU A 81 2.698 -6.158 -6.689 1.00 0.00 C ATOM 1162 CD GLU A 81 1.309 -6.274 -6.059 1.00 0.00 C ATOM 1163 OE1 GLU A 81 1.113 -5.710 -4.996 1.00 0.00 O ATOM 1164 OE2 GLU A 81 0.464 -6.926 -6.652 1.00 0.00 O ATOM 0 H GLU A 81 5.110 -6.109 -3.339 1.00 0.00 H new ATOM 0 HA GLU A 81 5.299 -5.210 -6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.300 -7.497 -6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.266 -7.030 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.902 -5.121 -6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.741 -6.740 -7.609 1.00 0.00 H new ATOM 1171 N PRO A 82 4.271 -3.164 -5.437 1.00 0.00 N ATOM 1172 CA PRO A 82 3.600 -1.899 -5.056 1.00 0.00 C ATOM 1173 C PRO A 82 2.162 -1.882 -5.578 1.00 0.00 C ATOM 1174 O PRO A 82 1.897 -2.262 -6.702 1.00 0.00 O ATOM 1175 CB PRO A 82 4.434 -0.819 -5.741 1.00 0.00 C ATOM 1176 CG PRO A 82 5.150 -1.514 -6.858 1.00 0.00 C ATOM 1177 CD PRO A 82 5.287 -2.966 -6.475 1.00 0.00 C ATOM 0 HA PRO A 82 3.539 -1.760 -3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.801 -0.016 -6.120 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.140 -0.367 -5.044 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.594 -1.414 -7.790 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.130 -1.067 -7.022 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.116 -3.621 -7.329 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.287 -3.186 -6.100 1.00 0.00 H new ATOM 1185 N LEU A 83 1.230 -1.449 -4.775 1.00 0.00 N ATOM 1186 CA LEU A 83 -0.185 -1.414 -5.238 1.00 0.00 C ATOM 1187 C LEU A 83 -0.546 -0.019 -5.748 1.00 0.00 C ATOM 1188 O LEU A 83 -0.467 0.958 -5.035 1.00 0.00 O ATOM 1189 CB LEU A 83 -1.007 -1.797 -4.008 1.00 0.00 C ATOM 1190 CG LEU A 83 -1.950 -2.946 -4.367 1.00 0.00 C ATOM 1191 CD1 LEU A 83 -1.130 -4.179 -4.747 1.00 0.00 C ATOM 1192 CD2 LEU A 83 -2.836 -3.276 -3.163 1.00 0.00 C ATOM 0 H LEU A 83 1.386 -1.119 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.372 -2.093 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.347 -2.095 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.579 -0.938 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.576 -2.651 -5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.802 -4.998 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.499 -3.946 -5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.504 -4.473 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.508 -4.095 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.210 -3.570 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.422 -2.398 -2.891 1.00 0.00 H new ATOM 1204 N PHE A 84 -0.933 0.057 -6.995 1.00 0.00 N ATOM 1205 CA PHE A 84 -1.302 1.363 -7.621 1.00 0.00 C ATOM 1206 C PHE A 84 -0.371 2.488 -7.173 1.00 0.00 C ATOM 1207 O PHE A 84 0.440 2.981 -7.932 1.00 0.00 O ATOM 1208 CB PHE A 84 -2.741 1.679 -7.186 1.00 0.00 C ATOM 1209 CG PHE A 84 -3.277 0.628 -6.243 1.00 0.00 C ATOM 1210 CD1 PHE A 84 -3.903 -0.515 -6.754 1.00 0.00 C ATOM 1211 CD2 PHE A 84 -3.168 0.807 -4.858 1.00 0.00 C ATOM 1212 CE1 PHE A 84 -4.418 -1.481 -5.883 1.00 0.00 C ATOM 1213 CE2 PHE A 84 -3.687 -0.157 -3.987 1.00 0.00 C ATOM 1214 CZ PHE A 84 -4.311 -1.302 -4.498 1.00 0.00 C ATOM 0 H PHE A 84 -1.010 -0.747 -7.618 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.215 1.289 -8.705 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.770 2.654 -6.700 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.383 1.742 -8.065 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.988 -0.651 -7.822 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.684 1.688 -4.463 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.898 -2.364 -6.278 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.606 -0.018 -2.919 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.709 -2.046 -3.825 1.00 0.00 H new ATOM 1224 N GLU A 85 -0.504 2.915 -5.955 1.00 0.00 N ATOM 1225 CA GLU A 85 0.350 4.038 -5.456 1.00 0.00 C ATOM 1226 C GLU A 85 1.625 3.523 -4.782 1.00 0.00 C ATOM 1227 O GLU A 85 2.620 4.217 -4.714 1.00 0.00 O ATOM 1228 CB GLU A 85 -0.527 4.771 -4.441 1.00 0.00 C ATOM 1229 CG GLU A 85 -1.929 4.962 -5.020 1.00 0.00 C ATOM 1230 CD GLU A 85 -2.915 4.057 -4.278 1.00 0.00 C ATOM 1231 OE1 GLU A 85 -2.713 3.841 -3.095 1.00 0.00 O ATOM 1232 OE2 GLU A 85 -3.854 3.595 -4.907 1.00 0.00 O ATOM 0 H GLU A 85 -1.166 2.539 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 85 0.680 4.681 -6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.580 4.202 -3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.088 5.738 -4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.234 6.004 -4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.930 4.724 -6.084 1.00 0.00 H new ATOM 1239 N GLY A 86 1.606 2.328 -4.266 1.00 0.00 N ATOM 1240 CA GLY A 86 2.819 1.801 -3.585 1.00 0.00 C ATOM 1241 C GLY A 86 2.550 1.745 -2.084 1.00 0.00 C ATOM 1242 O GLY A 86 3.085 0.914 -1.381 1.00 0.00 O ATOM 0 H GLY A 86 0.806 1.695 -4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.063 0.808 -3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.677 2.441 -3.792 1.00 0.00 H new ATOM 1246 N VAL A 87 1.706 2.619 -1.593 1.00 0.00 N ATOM 1247 CA VAL A 87 1.381 2.609 -0.137 1.00 0.00 C ATOM 1248 C VAL A 87 1.227 1.167 0.335 1.00 0.00 C ATOM 1249 O VAL A 87 1.422 0.848 1.490 1.00 0.00 O ATOM 1250 CB VAL A 87 0.053 3.340 -0.028 1.00 0.00 C ATOM 1251 CG1 VAL A 87 -0.353 3.451 1.441 1.00 0.00 C ATOM 1252 CG2 VAL A 87 0.188 4.740 -0.632 1.00 0.00 C ATOM 0 H VAL A 87 1.230 3.337 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 87 2.155 3.077 0.471 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.711 2.784 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.305 3.976 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.454 2.453 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.410 4.004 1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.765 5.264 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.954 5.297 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.471 4.658 -1.681 1.00 0.00 H new ATOM 1262 N PHE A 88 0.890 0.296 -0.569 1.00 0.00 N ATOM 1263 CA PHE A 88 0.740 -1.134 -0.213 1.00 0.00 C ATOM 1264 C PHE A 88 1.654 -1.958 -1.116 1.00 0.00 C ATOM 1265 O PHE A 88 1.305 -2.297 -2.228 1.00 0.00 O ATOM 1266 CB PHE A 88 -0.727 -1.460 -0.479 1.00 0.00 C ATOM 1267 CG PHE A 88 -1.110 -2.691 0.300 1.00 0.00 C ATOM 1268 CD1 PHE A 88 -1.395 -2.591 1.665 1.00 0.00 C ATOM 1269 CD2 PHE A 88 -1.176 -3.930 -0.343 1.00 0.00 C ATOM 1270 CE1 PHE A 88 -1.749 -3.734 2.390 1.00 0.00 C ATOM 1271 CE2 PHE A 88 -1.528 -5.075 0.381 1.00 0.00 C ATOM 1272 CZ PHE A 88 -1.816 -4.977 1.748 1.00 0.00 C ATOM 0 H PHE A 88 0.711 0.518 -1.548 1.00 0.00 H new ATOM 0 HA PHE A 88 1.008 -1.352 0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.357 -0.620 -0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.888 -1.625 -1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.342 -1.632 2.159 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.956 -4.004 -1.398 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.971 -3.658 3.444 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.577 -6.033 -0.114 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.090 -5.860 2.307 1.00 0.00 H new ATOM 1282 N CYS A 89 2.833 -2.263 -0.661 1.00 0.00 N ATOM 1283 CA CYS A 89 3.770 -3.039 -1.515 1.00 0.00 C ATOM 1284 C CYS A 89 3.910 -4.466 -0.984 1.00 0.00 C ATOM 1285 O CYS A 89 4.492 -4.702 0.056 1.00 0.00 O ATOM 1286 CB CYS A 89 5.095 -2.275 -1.422 1.00 0.00 C ATOM 1287 SG CYS A 89 6.486 -3.402 -1.694 1.00 0.00 S ATOM 0 H CYS A 89 3.188 -2.010 0.261 1.00 0.00 H new ATOM 0 HA CYS A 89 3.428 -3.131 -2.546 1.00 0.00 H new ATOM 0 HB2 CYS A 89 5.115 -1.475 -2.162 1.00 0.00 H new ATOM 0 HB3 CYS A 89 5.184 -1.805 -0.443 1.00 0.00 H new ATOM 1292 N SER A 90 3.375 -5.419 -1.698 1.00 0.00 N ATOM 1293 CA SER A 90 3.470 -6.835 -1.245 1.00 0.00 C ATOM 1294 C SER A 90 4.929 -7.202 -0.956 1.00 0.00 C ATOM 1295 O SER A 90 5.180 -8.356 -0.652 1.00 0.00 O ATOM 1296 CB SER A 90 2.932 -7.662 -2.411 1.00 0.00 C ATOM 1297 OG SER A 90 2.047 -8.657 -1.912 1.00 0.00 O ATOM 1298 OXT SER A 90 5.769 -6.321 -1.043 1.00 0.00 O ATOM 0 H SER A 90 2.876 -5.277 -2.576 1.00 0.00 H new ATOM 0 HA SER A 90 2.910 -7.012 -0.327 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.411 -7.018 -3.119 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.755 -8.129 -2.951 1.00 0.00 H new ATOM 0 HG SER A 90 1.699 -9.189 -2.658 1.00 0.00 H new TER 1304 SER A 90