USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 620 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 74 GLN : amide:sc= -0.195 K(o=0.65,f=-5.8!) USER MOD Set 1.2: A 75 SER OG : rot 58:sc= 0.845 USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0.519 K(o=1.2,f=-1.8) USER MOD Set 2.2: A 94 SER OG : rot -85:sc= 0.667 USER MOD Single : A 11 THR OG1 : rot -22:sc= 0.113 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 45 HIS : no HE2:sc= -0.893 X(o=-0.89,f=-0.43) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -105:sc= 1.21 USER MOD Single : A 59 CYS SG : rot 126:sc= -0.213 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.022) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 MET CE :methyl -179:sc= -0.878 (180deg=-0.889) USER MOD Single : A 81 HIS : no HD1:sc=-0.00625 K(o=-0.0062,f=-2.1) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N THR A 11 -9.275 -11.354 -8.987 1.00 0.00 N ATOM 114 CA THR A 11 -8.763 -10.222 -8.238 1.00 0.00 C ATOM 115 C THR A 11 -9.570 -8.994 -8.663 1.00 0.00 C ATOM 116 O THR A 11 -10.280 -9.047 -9.667 1.00 0.00 O ATOM 117 CB THR A 11 -7.246 -10.040 -8.478 1.00 0.00 C ATOM 118 OG1 THR A 11 -6.847 -10.127 -9.841 1.00 0.00 O ATOM 119 CG2 THR A 11 -6.441 -11.103 -7.727 1.00 0.00 C ATOM 0 HA THR A 11 -8.876 -10.380 -7.166 1.00 0.00 H new ATOM 0 HB THR A 11 -7.045 -9.031 -8.118 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.521 -10.626 -10.348 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.378 -10.953 -7.913 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.638 -11.021 -6.658 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.733 -12.094 -8.075 1.00 0.00 H new ATOM 127 N SER A 12 -9.425 -7.881 -7.956 1.00 0.00 N ATOM 128 CA SER A 12 -9.726 -6.570 -8.494 1.00 0.00 C ATOM 129 C SER A 12 -8.401 -5.826 -8.559 1.00 0.00 C ATOM 130 O SER A 12 -7.404 -6.225 -7.941 1.00 0.00 O ATOM 131 CB SER A 12 -10.736 -5.855 -7.589 1.00 0.00 C ATOM 132 OG SER A 12 -12.060 -6.149 -7.970 1.00 0.00 O ATOM 0 H SER A 12 -9.094 -7.867 -6.991 1.00 0.00 H new ATOM 0 HA SER A 12 -10.179 -6.625 -9.484 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.577 -6.157 -6.554 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.572 -4.778 -7.636 1.00 0.00 H new ATOM 0 HG SER A 12 -12.683 -5.682 -7.375 1.00 0.00 H new ATOM 138 N ASP A 13 -8.380 -4.729 -9.300 1.00 0.00 N ATOM 139 CA ASP A 13 -7.605 -3.561 -8.924 1.00 0.00 C ATOM 140 C ASP A 13 -8.594 -2.550 -8.367 1.00 0.00 C ATOM 141 O ASP A 13 -9.777 -2.549 -8.726 1.00 0.00 O ATOM 142 CB ASP A 13 -6.839 -2.952 -10.106 1.00 0.00 C ATOM 143 CG ASP A 13 -7.768 -2.505 -11.238 1.00 0.00 C ATOM 144 OD1 ASP A 13 -8.129 -3.366 -12.078 1.00 0.00 O ATOM 145 OD2 ASP A 13 -8.152 -1.319 -11.290 1.00 0.00 O ATOM 0 H ASP A 13 -8.897 -4.625 -10.173 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.848 -3.845 -8.192 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.259 -2.098 -9.757 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.129 -3.684 -10.491 1.00 0.00 H new ATOM 150 N VAL A 14 -8.074 -1.694 -7.503 1.00 0.00 N ATOM 151 CA VAL A 14 -8.636 -0.427 -7.093 1.00 0.00 C ATOM 152 C VAL A 14 -7.476 0.543 -7.289 1.00 0.00 C ATOM 153 O VAL A 14 -6.338 0.173 -6.979 1.00 0.00 O ATOM 154 CB VAL A 14 -9.078 -0.491 -5.613 1.00 0.00 C ATOM 155 CG1 VAL A 14 -9.682 0.832 -5.129 1.00 0.00 C ATOM 156 CG2 VAL A 14 -10.069 -1.648 -5.372 1.00 0.00 C ATOM 0 H VAL A 14 -7.185 -1.884 -7.040 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.525 -0.137 -7.654 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.176 -0.677 -5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.977 0.737 -4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.942 1.627 -5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.557 1.075 -5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.360 -1.665 -4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.954 -1.504 -5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.594 -2.594 -5.632 1.00 0.00 H new ATOM 166 N VAL A 15 -7.735 1.763 -7.750 1.00 0.00 N ATOM 167 CA VAL A 15 -6.758 2.836 -7.757 1.00 0.00 C ATOM 168 C VAL A 15 -7.373 3.995 -6.992 1.00 0.00 C ATOM 169 O VAL A 15 -8.541 4.340 -7.186 1.00 0.00 O ATOM 170 CB VAL A 15 -6.308 3.235 -9.176 1.00 0.00 C ATOM 171 CG1 VAL A 15 -4.921 3.889 -9.087 1.00 0.00 C ATOM 172 CG2 VAL A 15 -6.198 2.037 -10.125 1.00 0.00 C ATOM 0 H VAL A 15 -8.641 2.033 -8.133 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.838 2.505 -7.275 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.062 3.914 -9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.590 4.177 -10.085 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.976 4.774 -8.454 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.211 3.181 -8.659 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.877 2.380 -11.109 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.469 1.328 -9.733 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.169 1.550 -10.210 1.00 0.00 H new ATOM 182 N ILE A 16 -6.588 4.556 -6.081 1.00 0.00 N ATOM 183 CA ILE A 16 -6.969 5.676 -5.236 1.00 0.00 C ATOM 184 C ILE A 16 -5.837 6.679 -5.348 1.00 0.00 C ATOM 185 O ILE A 16 -4.679 6.305 -5.176 1.00 0.00 O ATOM 186 CB ILE A 16 -7.193 5.211 -3.780 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.380 4.230 -3.707 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.473 6.416 -2.859 1.00 0.00 C ATOM 189 CD1 ILE A 16 -8.389 3.378 -2.445 1.00 0.00 C ATOM 0 H ILE A 16 -5.637 4.231 -5.906 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.912 6.124 -5.550 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.285 4.709 -3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.311 4.794 -3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.353 3.575 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.628 6.066 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.623 7.098 -2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.366 6.937 -3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.252 2.712 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.475 2.786 -2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.447 4.025 -1.570 1.00 0.00 H new ATOM 201 N HIS A 17 -6.184 7.938 -5.593 1.00 0.00 N ATOM 202 CA HIS A 17 -5.262 9.043 -5.815 1.00 0.00 C ATOM 203 C HIS A 17 -5.468 10.072 -4.699 1.00 0.00 C ATOM 204 O HIS A 17 -6.608 10.221 -4.247 1.00 0.00 O ATOM 205 CB HIS A 17 -5.568 9.631 -7.196 1.00 0.00 C ATOM 206 CG HIS A 17 -5.599 8.602 -8.302 1.00 0.00 C ATOM 207 ND1 HIS A 17 -4.511 8.100 -8.981 1.00 0.00 N ATOM 208 CD2 HIS A 17 -6.718 7.979 -8.789 1.00 0.00 C ATOM 209 CE1 HIS A 17 -4.968 7.194 -9.859 1.00 0.00 C ATOM 210 NE2 HIS A 17 -6.306 7.081 -9.778 1.00 0.00 N ATOM 0 H HIS A 17 -7.161 8.228 -5.644 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.220 8.723 -5.793 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -6.531 10.140 -7.159 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.818 10.385 -7.434 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.734 8.151 -8.467 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.346 6.631 -10.539 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.902 6.463 -10.329 1.00 0.00 H new ATOM 218 N ARG A 18 -4.430 10.792 -4.245 1.00 0.00 N ATOM 219 CA ARG A 18 -4.567 11.806 -3.185 1.00 0.00 C ATOM 220 C ARG A 18 -3.698 13.027 -3.448 1.00 0.00 C ATOM 221 O ARG A 18 -2.956 13.075 -4.423 1.00 0.00 O ATOM 222 CB ARG A 18 -4.243 11.203 -1.814 1.00 0.00 C ATOM 223 CG ARG A 18 -2.811 10.660 -1.688 1.00 0.00 C ATOM 224 CD ARG A 18 -2.435 10.354 -0.238 1.00 0.00 C ATOM 225 NE ARG A 18 -1.086 9.773 -0.150 1.00 0.00 N ATOM 226 CZ ARG A 18 0.083 10.421 -0.044 1.00 0.00 C ATOM 227 NH1 ARG A 18 0.136 11.746 0.060 1.00 0.00 N ATOM 228 NH2 ARG A 18 1.216 9.720 -0.056 1.00 0.00 N ATOM 0 H ARG A 18 -3.479 10.690 -4.598 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.605 12.137 -3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.400 11.963 -1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.945 10.395 -1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.714 9.754 -2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.111 11.388 -2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.479 11.269 0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.160 9.662 0.191 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.034 8.755 -0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.725 12.292 0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.038 12.216 0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.186 8.704 -0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.113 10.199 0.024 1.00 0.00 H new ATOM 242 N LYS A 19 -3.782 14.034 -2.589 1.00 0.00 N ATOM 243 CA LYS A 19 -2.836 15.137 -2.558 1.00 0.00 C ATOM 244 C LYS A 19 -1.703 14.743 -1.609 1.00 0.00 C ATOM 245 O LYS A 19 -1.814 13.752 -0.880 1.00 0.00 O ATOM 246 CB LYS A 19 -3.558 16.424 -2.139 1.00 0.00 C ATOM 247 CG LYS A 19 -4.427 17.008 -3.267 1.00 0.00 C ATOM 248 CD LYS A 19 -5.830 16.409 -3.470 1.00 0.00 C ATOM 249 CE LYS A 19 -5.881 15.121 -4.315 1.00 0.00 C ATOM 250 NZ LYS A 19 -7.073 15.042 -5.183 1.00 0.00 N ATOM 0 H LYS A 19 -4.518 14.107 -1.887 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.407 15.337 -3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.185 16.219 -1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.821 17.166 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.541 18.076 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.878 16.902 -4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.262 16.199 -2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.462 17.160 -3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.985 15.064 -4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.865 14.257 -3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.050 14.155 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.932 15.067 -4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.078 15.849 -5.840 1.00 0.00 H new ATOM 264 N GLU A 20 -0.610 15.507 -1.589 1.00 0.00 N ATOM 265 CA GLU A 20 0.438 15.258 -0.597 1.00 0.00 C ATOM 266 C GLU A 20 0.020 15.715 0.802 1.00 0.00 C ATOM 267 O GLU A 20 0.499 15.164 1.797 1.00 0.00 O ATOM 268 CB GLU A 20 1.764 15.934 -0.978 1.00 0.00 C ATOM 269 CG GLU A 20 2.756 15.117 -1.810 1.00 0.00 C ATOM 270 CD GLU A 20 3.118 13.709 -1.299 1.00 0.00 C ATOM 271 OE1 GLU A 20 2.641 13.233 -0.236 1.00 0.00 O ATOM 272 OE2 GLU A 20 3.836 13.002 -2.041 1.00 0.00 O ATOM 0 H GLU A 20 -0.429 16.281 -2.228 1.00 0.00 H new ATOM 0 HA GLU A 20 0.587 14.178 -0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.532 16.845 -1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.264 16.237 -0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.349 15.016 -2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.678 15.692 -1.895 1.00 0.00 H new ATOM 279 N ASN A 21 -0.843 16.727 0.883 1.00 0.00 N ATOM 280 CA ASN A 21 -1.306 17.315 2.134 1.00 0.00 C ATOM 281 C ASN A 21 -2.032 16.272 2.969 1.00 0.00 C ATOM 282 O ASN A 21 -1.690 16.032 4.124 1.00 0.00 O ATOM 283 CB ASN A 21 -2.277 18.462 1.840 1.00 0.00 C ATOM 284 CG ASN A 21 -1.579 19.703 1.340 1.00 0.00 C ATOM 285 OD1 ASN A 21 -0.983 19.688 0.268 1.00 0.00 O ATOM 286 ND2 ASN A 21 -1.662 20.782 2.084 1.00 0.00 N ATOM 0 H ASN A 21 -1.248 17.170 0.058 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.439 17.686 2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.004 18.135 1.097 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.833 18.703 2.746 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.221 21.649 1.776 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.167 20.753 2.970 1.00 0.00 H new ATOM 293 N GLU A 22 -3.065 15.690 2.369 1.00 0.00 N ATOM 294 CA GLU A 22 -3.886 14.649 2.954 1.00 0.00 C ATOM 295 C GLU A 22 -3.114 13.324 2.930 1.00 0.00 C ATOM 296 O GLU A 22 -2.107 13.165 2.228 1.00 0.00 O ATOM 297 CB GLU A 22 -5.230 14.591 2.194 1.00 0.00 C ATOM 298 CG GLU A 22 -5.068 14.175 0.720 1.00 0.00 C ATOM 299 CD GLU A 22 -6.246 14.500 -0.210 1.00 0.00 C ATOM 300 OE1 GLU A 22 -7.035 15.430 0.068 1.00 0.00 O ATOM 301 OE2 GLU A 22 -6.295 13.905 -1.313 1.00 0.00 O ATOM 0 H GLU A 22 -3.360 15.944 1.426 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.115 14.859 3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.894 13.886 2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.710 15.569 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.175 14.659 0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.890 13.100 0.685 1.00 0.00 H new ATOM 308 N GLY A 23 -3.596 12.347 3.689 1.00 0.00 N ATOM 309 CA GLY A 23 -3.219 10.951 3.547 1.00 0.00 C ATOM 310 C GLY A 23 -4.330 10.216 2.809 1.00 0.00 C ATOM 311 O GLY A 23 -5.387 10.788 2.522 1.00 0.00 O ATOM 0 H GLY A 23 -4.273 12.509 4.434 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.281 10.867 2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.056 10.502 4.527 1.00 0.00 H new ATOM 315 N PHE A 24 -4.130 8.930 2.530 1.00 0.00 N ATOM 316 CA PHE A 24 -5.243 8.051 2.240 1.00 0.00 C ATOM 317 C PHE A 24 -5.984 7.818 3.561 1.00 0.00 C ATOM 318 O PHE A 24 -5.475 8.117 4.642 1.00 0.00 O ATOM 319 CB PHE A 24 -4.740 6.732 1.658 1.00 0.00 C ATOM 320 CG PHE A 24 -3.779 6.840 0.492 1.00 0.00 C ATOM 321 CD1 PHE A 24 -4.271 7.132 -0.792 1.00 0.00 C ATOM 322 CD2 PHE A 24 -2.402 6.600 0.680 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.387 7.185 -1.882 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.524 6.637 -0.419 1.00 0.00 C ATOM 325 CZ PHE A 24 -2.017 6.926 -1.704 1.00 0.00 C ATOM 0 H PHE A 24 -3.213 8.483 2.500 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.910 8.494 1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.251 6.170 2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.603 6.147 1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.325 7.315 -0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.021 6.388 1.668 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.763 7.427 -2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.471 6.443 -0.276 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.346 6.949 -2.550 1.00 0.00 H new ATOM 335 N GLY A 25 -7.180 7.256 3.486 1.00 0.00 N ATOM 336 CA GLY A 25 -8.097 7.224 4.618 1.00 0.00 C ATOM 337 C GLY A 25 -8.115 5.912 5.396 1.00 0.00 C ATOM 338 O GLY A 25 -8.914 5.803 6.319 1.00 0.00 O ATOM 0 H GLY A 25 -7.543 6.811 2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.834 8.031 5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.105 7.428 4.256 1.00 0.00 H new ATOM 342 N PHE A 26 -7.327 4.905 5.023 1.00 0.00 N ATOM 343 CA PHE A 26 -7.643 3.508 5.307 1.00 0.00 C ATOM 344 C PHE A 26 -6.670 2.898 6.309 1.00 0.00 C ATOM 345 O PHE A 26 -5.453 2.985 6.126 1.00 0.00 O ATOM 346 CB PHE A 26 -7.690 2.738 3.981 1.00 0.00 C ATOM 347 CG PHE A 26 -6.357 2.505 3.272 1.00 0.00 C ATOM 348 CD1 PHE A 26 -5.665 3.568 2.666 1.00 0.00 C ATOM 349 CD2 PHE A 26 -5.800 1.216 3.208 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.397 3.362 2.082 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.514 1.020 2.675 1.00 0.00 C ATOM 352 CZ PHE A 26 -3.816 2.086 2.094 1.00 0.00 C ATOM 0 H PHE A 26 -6.452 5.036 4.516 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.621 3.443 5.783 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.150 1.767 4.168 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.348 3.276 3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.108 4.553 2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.364 0.370 3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.873 4.189 1.625 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.061 0.040 2.714 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.840 1.927 1.660 1.00 0.00 H new ATOM 362 N VAL A 27 -7.204 2.247 7.342 1.00 0.00 N ATOM 363 CA VAL A 27 -6.436 1.456 8.299 1.00 0.00 C ATOM 364 C VAL A 27 -6.599 -0.013 7.918 1.00 0.00 C ATOM 365 O VAL A 27 -7.716 -0.469 7.658 1.00 0.00 O ATOM 366 CB VAL A 27 -6.929 1.741 9.733 1.00 0.00 C ATOM 367 CG1 VAL A 27 -6.256 0.828 10.767 1.00 0.00 C ATOM 368 CG2 VAL A 27 -6.632 3.190 10.131 1.00 0.00 C ATOM 0 H VAL A 27 -8.205 2.256 7.540 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.378 1.718 8.272 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.003 1.553 9.728 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.634 1.065 11.762 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.478 -0.213 10.533 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.177 0.983 10.742 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.988 3.369 11.146 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.557 3.366 10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.139 3.867 9.444 1.00 0.00 H new ATOM 378 N ILE A 28 -5.501 -0.769 7.913 1.00 0.00 N ATOM 379 CA ILE A 28 -5.514 -2.216 7.744 1.00 0.00 C ATOM 380 C ILE A 28 -5.545 -2.817 9.156 1.00 0.00 C ATOM 381 O ILE A 28 -4.846 -2.333 10.050 1.00 0.00 O ATOM 382 CB ILE A 28 -4.264 -2.664 6.949 1.00 0.00 C ATOM 383 CG1 ILE A 28 -4.138 -1.948 5.578 1.00 0.00 C ATOM 384 CG2 ILE A 28 -4.250 -4.180 6.714 1.00 0.00 C ATOM 385 CD1 ILE A 28 -2.685 -1.894 5.097 1.00 0.00 C ATOM 0 H ILE A 28 -4.564 -0.383 8.028 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.380 -2.556 7.176 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.413 -2.383 7.569 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.747 -2.469 4.839 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.532 -0.935 5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.356 -4.453 6.153 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.248 -4.697 7.674 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.136 -4.469 6.148 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.639 -1.385 4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.081 -1.351 5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.299 -2.908 4.990 1.00 0.00 H new ATOM 397 N ILE A 29 -6.330 -3.869 9.374 1.00 0.00 N ATOM 398 CA ILE A 29 -6.325 -4.714 10.547 1.00 0.00 C ATOM 399 C ILE A 29 -6.314 -6.178 10.086 1.00 0.00 C ATOM 400 O ILE A 29 -6.398 -6.443 8.884 1.00 0.00 O ATOM 401 CB ILE A 29 -7.539 -4.379 11.432 1.00 0.00 C ATOM 402 CG1 ILE A 29 -8.895 -4.738 10.791 1.00 0.00 C ATOM 403 CG2 ILE A 29 -7.499 -2.922 11.914 1.00 0.00 C ATOM 404 CD1 ILE A 29 -10.082 -4.529 11.740 1.00 0.00 C ATOM 0 H ILE A 29 -7.026 -4.165 8.690 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.436 -4.542 11.155 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.456 -5.024 12.307 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.040 -4.131 9.898 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.874 -5.779 10.469 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.371 -2.720 12.536 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.592 -2.756 12.496 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.505 -2.254 11.053 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.007 -4.799 11.231 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.957 -5.157 12.622 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.126 -3.483 12.042 1.00 0.00 H new ATOM 616 N PRO A 44 -4.497 -12.225 6.774 1.00 0.00 N ATOM 617 CA PRO A 44 -3.460 -11.219 6.625 1.00 0.00 C ATOM 618 C PRO A 44 -3.996 -10.102 5.727 1.00 0.00 C ATOM 619 O PRO A 44 -4.100 -10.287 4.516 1.00 0.00 O ATOM 620 CB PRO A 44 -2.265 -11.950 6.020 1.00 0.00 C ATOM 621 CG PRO A 44 -2.918 -13.056 5.190 1.00 0.00 C ATOM 622 CD PRO A 44 -4.218 -13.374 5.936 1.00 0.00 C ATOM 0 HA PRO A 44 -3.161 -10.749 7.562 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.658 -11.288 5.403 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.610 -12.357 6.790 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.116 -12.724 4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.275 -13.933 5.120 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.034 -13.552 5.236 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.111 -14.277 6.537 1.00 0.00 H new ATOM 630 N HIS A 45 -4.315 -8.960 6.334 1.00 0.00 N ATOM 631 CA HIS A 45 -4.698 -7.686 5.737 1.00 0.00 C ATOM 632 C HIS A 45 -6.168 -7.666 5.315 1.00 0.00 C ATOM 633 O HIS A 45 -6.551 -8.222 4.282 1.00 0.00 O ATOM 634 CB HIS A 45 -3.790 -7.250 4.573 1.00 0.00 C ATOM 635 CG HIS A 45 -2.347 -6.990 4.929 1.00 0.00 C ATOM 636 ND1 HIS A 45 -1.484 -7.820 5.610 1.00 0.00 N ATOM 637 CD2 HIS A 45 -1.648 -5.870 4.584 1.00 0.00 C ATOM 638 CE1 HIS A 45 -0.292 -7.207 5.655 1.00 0.00 C ATOM 639 NE2 HIS A 45 -0.351 -5.996 5.078 1.00 0.00 N ATOM 0 H HIS A 45 -4.311 -8.900 7.352 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.560 -6.951 6.530 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.822 -8.021 3.804 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.205 -6.343 4.133 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -1.710 -8.732 6.007 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.034 -5.031 4.024 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.598 -7.631 6.097 1.00 0.00 H new ATOM 647 N LYS A 46 -6.990 -6.927 6.065 1.00 0.00 N ATOM 648 CA LYS A 46 -8.272 -6.399 5.592 1.00 0.00 C ATOM 649 C LYS A 46 -8.370 -4.934 5.982 1.00 0.00 C ATOM 650 O LYS A 46 -7.700 -4.496 6.914 1.00 0.00 O ATOM 651 CB LYS A 46 -9.480 -7.188 6.140 1.00 0.00 C ATOM 652 CG LYS A 46 -9.598 -7.110 7.672 1.00 0.00 C ATOM 653 CD LYS A 46 -10.876 -7.743 8.238 1.00 0.00 C ATOM 654 CE LYS A 46 -10.934 -7.376 9.729 1.00 0.00 C ATOM 655 NZ LYS A 46 -12.211 -7.723 10.381 1.00 0.00 N ATOM 0 H LYS A 46 -6.781 -6.675 7.031 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.304 -6.507 4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.395 -6.802 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.393 -8.232 5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.734 -7.603 8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.559 -6.064 7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.756 -7.370 7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.862 -8.825 8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.122 -7.883 10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.762 -6.305 9.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.176 -7.446 11.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.989 -7.219 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.369 -8.748 10.310 1.00 0.00 H new ATOM 669 N ILE A 47 -9.253 -4.183 5.333 1.00 0.00 N ATOM 670 CA ILE A 47 -9.607 -2.846 5.795 1.00 0.00 C ATOM 671 C ILE A 47 -10.336 -2.957 7.136 1.00 0.00 C ATOM 672 O ILE A 47 -11.248 -3.777 7.276 1.00 0.00 O ATOM 673 CB ILE A 47 -10.485 -2.146 4.746 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.827 -2.097 3.358 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.883 -0.723 5.184 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.456 -1.419 3.312 1.00 0.00 C ATOM 0 H ILE A 47 -9.737 -4.478 4.485 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.706 -2.248 5.933 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.387 -2.754 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.723 -3.116 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.496 -1.575 2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.503 -0.265 4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.443 -0.773 6.118 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.985 -0.123 5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.076 -1.435 2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.549 -0.386 3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.765 -1.952 3.965 1.00 0.00 H new ATOM 688 N GLY A 48 -9.963 -2.098 8.085 1.00 0.00 N ATOM 689 CA GLY A 48 -10.570 -1.940 9.398 1.00 0.00 C ATOM 690 C GLY A 48 -11.460 -0.705 9.449 1.00 0.00 C ATOM 691 O GLY A 48 -12.673 -0.832 9.634 1.00 0.00 O ATOM 0 H GLY A 48 -9.182 -1.457 7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.158 -2.826 9.638 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.790 -1.861 10.155 1.00 0.00 H new ATOM 695 N ARG A 49 -10.876 0.482 9.268 1.00 0.00 N ATOM 696 CA ARG A 49 -11.542 1.783 9.380 1.00 0.00 C ATOM 697 C ARG A 49 -11.195 2.612 8.148 1.00 0.00 C ATOM 698 O ARG A 49 -10.145 2.385 7.538 1.00 0.00 O ATOM 699 CB ARG A 49 -11.081 2.461 10.690 1.00 0.00 C ATOM 700 CG ARG A 49 -11.619 3.886 10.918 1.00 0.00 C ATOM 701 CD ARG A 49 -11.141 4.487 12.249 1.00 0.00 C ATOM 702 NE ARG A 49 -12.229 4.540 13.234 1.00 0.00 N ATOM 703 CZ ARG A 49 -12.285 5.242 14.368 1.00 0.00 C ATOM 704 NH1 ARG A 49 -11.331 6.113 14.683 1.00 0.00 N ATOM 705 NH2 ARG A 49 -13.307 5.061 15.193 1.00 0.00 N ATOM 0 H ARG A 49 -9.888 0.567 9.030 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.626 1.678 9.421 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.386 1.837 11.530 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.992 2.496 10.698 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.299 4.528 10.097 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.709 3.867 10.902 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.319 3.891 12.645 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.753 5.491 12.078 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.047 3.967 13.025 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.540 6.253 14.054 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.390 6.641 15.554 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.039 4.391 14.958 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.361 5.592 16.062 1.00 0.00 H new ATOM 719 N ILE A 50 -12.060 3.566 7.808 1.00 0.00 N ATOM 720 CA ILE A 50 -11.887 4.543 6.747 1.00 0.00 C ATOM 721 C ILE A 50 -12.261 5.919 7.332 1.00 0.00 C ATOM 722 O ILE A 50 -13.303 6.040 7.980 1.00 0.00 O ATOM 723 CB ILE A 50 -12.747 4.102 5.534 1.00 0.00 C ATOM 724 CG1 ILE A 50 -12.036 2.960 4.767 1.00 0.00 C ATOM 725 CG2 ILE A 50 -13.063 5.258 4.582 1.00 0.00 C ATOM 726 CD1 ILE A 50 -12.896 2.342 3.660 1.00 0.00 C ATOM 0 H ILE A 50 -12.948 3.680 8.296 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.863 4.615 6.381 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.698 3.746 5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.115 3.345 4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.751 2.180 5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.667 4.891 3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.614 6.031 5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.133 5.677 4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.336 1.549 3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.805 1.927 4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.159 3.110 2.932 1.00 0.00 H new ATOM 738 N ILE A 51 -11.429 6.950 7.113 1.00 0.00 N ATOM 739 CA ILE A 51 -11.783 8.362 7.190 1.00 0.00 C ATOM 740 C ILE A 51 -12.961 8.582 6.234 1.00 0.00 C ATOM 741 O ILE A 51 -12.790 8.460 5.018 1.00 0.00 O ATOM 742 CB ILE A 51 -10.543 9.226 6.812 1.00 0.00 C ATOM 743 CG1 ILE A 51 -9.502 9.386 7.938 1.00 0.00 C ATOM 744 CG2 ILE A 51 -10.888 10.681 6.452 1.00 0.00 C ATOM 745 CD1 ILE A 51 -8.736 8.171 8.419 1.00 0.00 C ATOM 0 H ILE A 51 -10.449 6.807 6.867 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.079 8.658 8.196 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.149 8.660 5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.771 10.123 7.606 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.015 9.812 8.800 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.975 11.220 6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.564 10.694 5.597 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -11.370 11.162 7.303 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.048 8.465 9.212 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.436 7.428 8.802 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.172 7.744 7.589 1.00 0.00 H new ATOM 757 N ASP A 52 -14.136 8.923 6.761 1.00 0.00 N ATOM 758 CA ASP A 52 -15.299 9.279 5.948 1.00 0.00 C ATOM 759 C ASP A 52 -14.916 10.439 5.030 1.00 0.00 C ATOM 760 O ASP A 52 -14.342 11.427 5.502 1.00 0.00 O ATOM 761 CB ASP A 52 -16.485 9.716 6.825 1.00 0.00 C ATOM 762 CG ASP A 52 -17.393 8.573 7.269 1.00 0.00 C ATOM 763 OD1 ASP A 52 -17.803 7.767 6.404 1.00 0.00 O ATOM 764 OD2 ASP A 52 -17.716 8.522 8.479 1.00 0.00 O ATOM 0 H ASP A 52 -14.309 8.960 7.766 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.600 8.403 5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.100 10.223 7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -17.080 10.444 6.274 1.00 0.00 H new ATOM 769 N GLY A 53 -15.250 10.330 3.743 1.00 0.00 N ATOM 770 CA GLY A 53 -15.055 11.363 2.727 1.00 0.00 C ATOM 771 C GLY A 53 -13.664 11.398 2.103 1.00 0.00 C ATOM 772 O GLY A 53 -13.467 12.106 1.113 1.00 0.00 O ATOM 0 H GLY A 53 -15.681 9.486 3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.789 11.215 1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.261 12.335 3.175 1.00 0.00 H new ATOM 776 N SER A 54 -12.712 10.623 2.629 1.00 0.00 N ATOM 777 CA SER A 54 -11.350 10.593 2.107 1.00 0.00 C ATOM 778 C SER A 54 -11.308 10.154 0.638 1.00 0.00 C ATOM 779 O SER A 54 -12.282 9.588 0.122 1.00 0.00 O ATOM 780 CB SER A 54 -10.490 9.655 2.962 1.00 0.00 C ATOM 781 OG SER A 54 -11.075 8.374 3.084 1.00 0.00 O ATOM 0 H SER A 54 -12.866 10.003 3.424 1.00 0.00 H new ATOM 0 HA SER A 54 -10.951 11.606 2.156 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.500 9.562 2.516 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.354 10.089 3.953 1.00 0.00 H new ATOM 0 HG SER A 54 -11.458 8.273 3.981 1.00 0.00 H new ATOM 787 N PRO A 55 -10.144 10.288 -0.026 1.00 0.00 N ATOM 788 CA PRO A 55 -9.930 9.642 -1.309 1.00 0.00 C ATOM 789 C PRO A 55 -10.180 8.131 -1.242 1.00 0.00 C ATOM 790 O PRO A 55 -10.657 7.578 -2.235 1.00 0.00 O ATOM 791 CB PRO A 55 -8.519 10.006 -1.767 1.00 0.00 C ATOM 792 CG PRO A 55 -7.868 10.748 -0.602 1.00 0.00 C ATOM 793 CD PRO A 55 -9.014 11.135 0.333 1.00 0.00 C ATOM 0 HA PRO A 55 -10.650 9.997 -2.046 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.951 9.112 -2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.549 10.632 -2.659 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.142 10.115 -0.091 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.332 11.631 -0.950 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.732 10.985 1.375 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.268 12.189 0.220 1.00 0.00 H new ATOM 801 N ALA A 56 -9.913 7.486 -0.092 1.00 0.00 N ATOM 802 CA ALA A 56 -10.302 6.106 0.173 1.00 0.00 C ATOM 803 C ALA A 56 -11.825 5.959 0.070 1.00 0.00 C ATOM 804 O ALA A 56 -12.296 5.352 -0.886 1.00 0.00 O ATOM 805 CB ALA A 56 -9.733 5.631 1.524 1.00 0.00 C ATOM 0 H ALA A 56 -9.414 7.922 0.684 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.871 5.451 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.035 4.599 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.645 5.693 1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.116 6.265 2.323 1.00 0.00 H new ATOM 811 N ASP A 57 -12.591 6.543 1.003 1.00 0.00 N ATOM 812 CA ASP A 57 -14.039 6.302 1.096 1.00 0.00 C ATOM 813 C ASP A 57 -14.753 6.507 -0.236 1.00 0.00 C ATOM 814 O ASP A 57 -15.426 5.604 -0.733 1.00 0.00 O ATOM 815 CB ASP A 57 -14.728 7.195 2.132 1.00 0.00 C ATOM 816 CG ASP A 57 -16.224 6.864 2.134 1.00 0.00 C ATOM 817 OD1 ASP A 57 -16.601 5.813 2.709 1.00 0.00 O ATOM 818 OD2 ASP A 57 -16.994 7.624 1.512 1.00 0.00 O ATOM 0 H ASP A 57 -12.231 7.188 1.706 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.118 5.259 1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.301 7.028 3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.572 8.246 1.891 1.00 0.00 H new ATOM 823 N ARG A 58 -14.579 7.692 -0.825 1.00 0.00 N ATOM 824 CA ARG A 58 -15.271 8.090 -2.047 1.00 0.00 C ATOM 825 C ARG A 58 -14.774 7.313 -3.261 1.00 0.00 C ATOM 826 O ARG A 58 -15.381 7.417 -4.331 1.00 0.00 O ATOM 827 CB ARG A 58 -15.104 9.606 -2.234 1.00 0.00 C ATOM 828 CG ARG A 58 -16.020 10.426 -1.310 1.00 0.00 C ATOM 829 CD ARG A 58 -17.402 10.617 -1.941 1.00 0.00 C ATOM 830 NE ARG A 58 -18.285 11.433 -1.090 1.00 0.00 N ATOM 831 CZ ARG A 58 -19.201 12.319 -1.502 1.00 0.00 C ATOM 832 NH1 ARG A 58 -19.394 12.582 -2.791 1.00 0.00 N ATOM 833 NH2 ARG A 58 -19.974 12.935 -0.621 1.00 0.00 N ATOM 0 H ARG A 58 -13.948 8.406 -0.462 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.330 7.852 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.066 9.879 -2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.316 9.865 -3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.121 9.921 -0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.568 11.398 -1.113 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.294 11.094 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.861 9.643 -2.112 1.00 0.00 H new ATOM 0 HE ARG A 58 -18.189 11.311 -0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.836 12.103 -3.498 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -20.100 13.262 -3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.873 12.735 0.374 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.671 13.609 -0.937 1.00 0.00 H new ATOM 847 N CYS A 59 -13.709 6.513 -3.138 1.00 0.00 N ATOM 848 CA CYS A 59 -13.381 5.553 -4.170 1.00 0.00 C ATOM 849 C CYS A 59 -14.518 4.542 -4.295 1.00 0.00 C ATOM 850 O CYS A 59 -14.834 4.152 -5.413 1.00 0.00 O ATOM 851 CB CYS A 59 -12.039 4.876 -3.893 1.00 0.00 C ATOM 852 SG CYS A 59 -11.461 4.054 -5.409 1.00 0.00 S ATOM 0 H CYS A 59 -13.073 6.518 -2.340 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.271 6.071 -5.123 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.307 5.613 -3.563 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.144 4.149 -3.088 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.257 4.457 -5.689 1.00 0.00 H new ATOM 858 N ALA A 60 -15.147 4.154 -3.179 1.00 0.00 N ATOM 859 CA ALA A 60 -16.226 3.180 -3.010 1.00 0.00 C ATOM 860 C ALA A 60 -15.928 1.759 -3.511 1.00 0.00 C ATOM 861 O ALA A 60 -16.528 0.812 -3.010 1.00 0.00 O ATOM 862 CB ALA A 60 -17.546 3.722 -3.571 1.00 0.00 C ATOM 0 H ALA A 60 -14.883 4.558 -2.280 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.320 3.055 -1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.332 2.979 -3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.816 4.638 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.430 3.934 -4.634 1.00 0.00 H new ATOM 868 N LYS A 61 -14.978 1.574 -4.427 1.00 0.00 N ATOM 869 CA LYS A 61 -14.476 0.313 -4.954 1.00 0.00 C ATOM 870 C LYS A 61 -13.683 -0.505 -3.925 1.00 0.00 C ATOM 871 O LYS A 61 -13.244 -1.605 -4.256 1.00 0.00 O ATOM 872 CB LYS A 61 -13.579 0.676 -6.147 1.00 0.00 C ATOM 873 CG LYS A 61 -14.342 1.271 -7.346 1.00 0.00 C ATOM 874 CD LYS A 61 -14.231 0.417 -8.605 1.00 0.00 C ATOM 875 CE LYS A 61 -14.896 -0.956 -8.434 1.00 0.00 C ATOM 876 NZ LYS A 61 -16.285 -0.990 -8.941 1.00 0.00 N ATOM 0 H LYS A 61 -14.503 2.370 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.316 -0.320 -5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.826 1.391 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.048 -0.218 -6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.393 1.383 -7.081 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.958 2.269 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.695 0.942 -9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.180 0.281 -8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.305 -1.708 -8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.893 -1.226 -7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.683 -1.940 -8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.860 -0.293 -8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.290 -0.760 -9.955 1.00 0.00 H new ATOM 890 N LEU A 62 -13.449 0.025 -2.724 1.00 0.00 N ATOM 891 CA LEU A 62 -12.600 -0.563 -1.700 1.00 0.00 C ATOM 892 C LEU A 62 -13.223 -0.177 -0.362 1.00 0.00 C ATOM 893 O LEU A 62 -13.271 1.018 -0.046 1.00 0.00 O ATOM 894 CB LEU A 62 -11.178 0.011 -1.877 1.00 0.00 C ATOM 895 CG LEU A 62 -9.992 -0.705 -1.189 1.00 0.00 C ATOM 896 CD1 LEU A 62 -8.938 0.296 -0.693 1.00 0.00 C ATOM 897 CD2 LEU A 62 -10.390 -1.558 -0.002 1.00 0.00 C ATOM 0 H LEU A 62 -13.864 0.910 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.525 -1.649 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.967 0.045 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.192 1.041 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.589 -1.353 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.120 -0.244 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.552 0.866 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.393 0.977 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.502 -2.025 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.868 -0.932 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.087 -2.331 -0.327 1.00 0.00 H new ATOM 909 N LYS A 63 -13.747 -1.141 0.398 1.00 0.00 N ATOM 910 CA LYS A 63 -14.546 -0.885 1.599 1.00 0.00 C ATOM 911 C LYS A 63 -14.077 -1.701 2.801 1.00 0.00 C ATOM 912 O LYS A 63 -13.223 -2.585 2.698 1.00 0.00 O ATOM 913 CB LYS A 63 -16.028 -1.146 1.275 1.00 0.00 C ATOM 914 CG LYS A 63 -16.567 -0.148 0.233 1.00 0.00 C ATOM 915 CD LYS A 63 -17.967 0.387 0.579 1.00 0.00 C ATOM 916 CE LYS A 63 -18.268 1.635 -0.260 1.00 0.00 C ATOM 917 NZ LYS A 63 -19.497 2.329 0.184 1.00 0.00 N ATOM 0 H LYS A 63 -13.627 -2.133 0.195 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.415 0.158 1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.145 -2.163 0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.619 -1.073 2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.875 0.690 0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.601 -0.633 -0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.717 -0.380 0.388 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.022 0.629 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.424 2.322 -0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.373 1.349 -1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.658 3.165 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.309 1.684 0.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.389 2.626 1.175 1.00 0.00 H new ATOM 931 N VAL A 64 -14.625 -1.387 3.976 1.00 0.00 N ATOM 932 CA VAL A 64 -14.388 -2.131 5.204 1.00 0.00 C ATOM 933 C VAL A 64 -14.876 -3.567 5.001 1.00 0.00 C ATOM 934 O VAL A 64 -16.082 -3.810 4.908 1.00 0.00 O ATOM 935 CB VAL A 64 -15.061 -1.429 6.397 1.00 0.00 C ATOM 936 CG1 VAL A 64 -14.917 -2.273 7.668 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.428 -0.054 6.673 1.00 0.00 C ATOM 0 H VAL A 64 -15.256 -0.595 4.098 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.324 -2.164 5.437 1.00 0.00 H new ATOM 0 HB VAL A 64 -16.112 -1.303 6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -15.399 -1.761 8.501 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -15.390 -3.243 7.516 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.860 -2.416 7.892 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.928 0.413 7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.369 -0.180 6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.538 0.580 5.793 1.00 0.00 H new ATOM 947 N GLY A 65 -13.933 -4.509 4.927 1.00 0.00 N ATOM 948 CA GLY A 65 -14.168 -5.922 4.735 1.00 0.00 C ATOM 949 C GLY A 65 -13.251 -6.430 3.633 1.00 0.00 C ATOM 950 O GLY A 65 -13.011 -7.635 3.565 1.00 0.00 O ATOM 0 H GLY A 65 -12.941 -4.285 5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.980 -6.464 5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.210 -6.098 4.469 1.00 0.00 H new ATOM 954 N ASP A 66 -12.682 -5.536 2.810 1.00 0.00 N ATOM 955 CA ASP A 66 -11.826 -5.956 1.717 1.00 0.00 C ATOM 956 C ASP A 66 -10.506 -6.500 2.226 1.00 0.00 C ATOM 957 O ASP A 66 -9.637 -5.769 2.708 1.00 0.00 O ATOM 958 CB ASP A 66 -11.619 -4.895 0.634 1.00 0.00 C ATOM 959 CG ASP A 66 -12.759 -4.911 -0.378 1.00 0.00 C ATOM 960 OD1 ASP A 66 -13.098 -6.027 -0.848 1.00 0.00 O ATOM 961 OD2 ASP A 66 -13.295 -3.816 -0.652 1.00 0.00 O ATOM 0 H ASP A 66 -12.805 -4.526 2.889 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.365 -6.764 1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.552 -3.909 1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.673 -5.073 0.123 1.00 0.00 H new ATOM 966 N ARG A 67 -10.408 -7.818 2.129 1.00 0.00 N ATOM 967 CA ARG A 67 -9.184 -8.620 2.164 1.00 0.00 C ATOM 968 C ARG A 67 -8.228 -8.168 1.056 1.00 0.00 C ATOM 969 O ARG A 67 -8.671 -7.822 -0.042 1.00 0.00 O ATOM 970 CB ARG A 67 -9.530 -10.112 1.992 1.00 0.00 C ATOM 971 CG ARG A 67 -10.499 -10.605 3.082 1.00 0.00 C ATOM 972 CD ARG A 67 -10.592 -12.134 3.145 1.00 0.00 C ATOM 973 NE ARG A 67 -11.610 -12.685 2.233 1.00 0.00 N ATOM 974 CZ ARG A 67 -12.873 -12.983 2.566 1.00 0.00 C ATOM 975 NH1 ARG A 67 -13.348 -12.663 3.770 1.00 0.00 N ATOM 976 NH2 ARG A 67 -13.648 -13.620 1.691 1.00 0.00 N ATOM 0 H ARG A 67 -11.238 -8.400 2.016 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.694 -8.480 3.128 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.977 -10.270 1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.615 -10.703 2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.174 -10.225 4.050 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.490 -10.192 2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.621 -12.562 2.898 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.824 -12.437 4.166 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.329 -12.854 1.267 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.749 -12.188 4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.311 -12.893 4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.279 -13.877 0.776 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.611 -13.851 1.936 1.00 0.00 H new ATOM 990 N ILE A 68 -6.918 -8.199 1.308 1.00 0.00 N ATOM 991 CA ILE A 68 -5.918 -7.572 0.442 1.00 0.00 C ATOM 992 C ILE A 68 -4.792 -8.569 0.160 1.00 0.00 C ATOM 993 O ILE A 68 -4.496 -9.445 0.971 1.00 0.00 O ATOM 994 CB ILE A 68 -5.382 -6.261 1.070 1.00 0.00 C ATOM 995 CG1 ILE A 68 -6.488 -5.450 1.785 1.00 0.00 C ATOM 996 CG2 ILE A 68 -4.693 -5.389 -0.006 1.00 0.00 C ATOM 997 CD1 ILE A 68 -5.977 -4.183 2.458 1.00 0.00 C ATOM 0 H ILE A 68 -6.519 -8.663 2.124 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.383 -7.300 -0.505 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.652 -6.548 1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.256 -5.182 1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.964 -6.083 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.322 -4.472 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.859 -5.940 -0.442 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.411 -5.140 -0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.808 -3.666 2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.230 -4.445 3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.527 -3.530 1.710 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.190 -8.442 -1.025 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.224 -9.364 -1.588 1.00 0.00 C ATOM 1011 C LEU A 69 -1.884 -8.697 -1.897 1.00 0.00 C ATOM 1012 O LEU A 69 -0.845 -9.337 -1.747 1.00 0.00 O ATOM 1013 CB LEU A 69 -3.759 -9.911 -2.910 1.00 0.00 C ATOM 1014 CG LEU A 69 -4.971 -10.838 -2.794 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -6.285 -10.087 -2.603 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -5.093 -11.630 -4.097 1.00 0.00 C ATOM 0 H LEU A 69 -4.378 -7.651 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.071 -10.146 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.026 -9.070 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.956 -10.451 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.809 -11.470 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.105 -10.801 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.236 -9.494 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.455 -9.428 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.952 -12.299 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.227 -10.941 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.187 -12.216 -4.253 1.00 0.00 H new ATOM 1028 N ALA A 70 -1.890 -7.475 -2.441 1.00 0.00 N ATOM 1029 CA ALA A 70 -0.673 -6.757 -2.816 1.00 0.00 C ATOM 1030 C ALA A 70 -0.925 -5.249 -2.965 1.00 0.00 C ATOM 1031 O ALA A 70 -2.087 -4.839 -3.049 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.179 -7.306 -4.164 1.00 0.00 C ATOM 0 H ALA A 70 -2.746 -6.956 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 70 0.067 -6.903 -2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.729 -6.781 -4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.032 -8.371 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.948 -7.156 -4.922 1.00 0.00 H new ATOM 1038 N VAL A 71 0.144 -4.443 -3.067 1.00 0.00 N ATOM 1039 CA VAL A 71 0.052 -2.976 -3.141 1.00 0.00 C ATOM 1040 C VAL A 71 1.065 -2.438 -4.144 1.00 0.00 C ATOM 1041 O VAL A 71 2.234 -2.799 -4.082 1.00 0.00 O ATOM 1042 CB VAL A 71 0.173 -2.358 -1.736 1.00 0.00 C ATOM 1043 CG1 VAL A 71 1.546 -2.549 -1.098 1.00 0.00 C ATOM 1044 CG2 VAL A 71 -0.161 -0.862 -1.743 1.00 0.00 C ATOM 0 H VAL A 71 1.102 -4.793 -3.101 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.930 -2.681 -3.512 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.555 -2.901 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.556 -2.088 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.758 -3.614 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.306 -2.082 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.064 -0.463 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.527 -0.339 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.183 -0.719 -2.093 1.00 0.00 H new ATOM 1054 N ASN A 72 0.604 -1.622 -5.098 1.00 0.00 N ATOM 1055 CA ASN A 72 1.256 -1.353 -6.383 1.00 0.00 C ATOM 1056 C ASN A 72 1.846 -2.646 -6.944 1.00 0.00 C ATOM 1057 O ASN A 72 3.017 -2.720 -7.307 1.00 0.00 O ATOM 1058 CB ASN A 72 2.249 -0.182 -6.280 1.00 0.00 C ATOM 1059 CG ASN A 72 1.598 1.124 -6.682 1.00 0.00 C ATOM 1060 OD1 ASN A 72 1.294 1.341 -7.851 1.00 0.00 O ATOM 1061 ND2 ASN A 72 1.313 1.998 -5.731 1.00 0.00 N ATOM 0 H ASN A 72 -0.271 -1.109 -4.990 1.00 0.00 H new ATOM 0 HA ASN A 72 0.517 -1.014 -7.109 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.622 -0.106 -5.258 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.110 -0.374 -6.920 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.834 2.868 -5.964 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.573 1.802 -4.764 1.00 0.00 H new ATOM 1068 N GLY A 73 1.028 -3.701 -6.941 1.00 0.00 N ATOM 1069 CA GLY A 73 1.410 -5.020 -7.407 1.00 0.00 C ATOM 1070 C GLY A 73 2.532 -5.680 -6.607 1.00 0.00 C ATOM 1071 O GLY A 73 3.030 -6.702 -7.085 1.00 0.00 O ATOM 0 H GLY A 73 0.065 -3.653 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.534 -5.668 -7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.720 -4.946 -8.449 1.00 0.00 H new ATOM 1075 N GLN A 74 2.931 -5.165 -5.434 1.00 0.00 N ATOM 1076 CA GLN A 74 3.976 -5.749 -4.599 1.00 0.00 C ATOM 1077 C GLN A 74 3.401 -6.458 -3.390 1.00 0.00 C ATOM 1078 O GLN A 74 2.349 -6.089 -2.879 1.00 0.00 O ATOM 1079 CB GLN A 74 4.978 -4.693 -4.097 1.00 0.00 C ATOM 1080 CG GLN A 74 6.344 -4.842 -4.753 1.00 0.00 C ATOM 1081 CD GLN A 74 7.085 -6.158 -4.444 1.00 0.00 C ATOM 1082 OE1 GLN A 74 6.537 -7.254 -4.542 1.00 0.00 O ATOM 1083 NE2 GLN A 74 8.352 -6.127 -4.077 1.00 0.00 N ATOM 0 H GLN A 74 2.526 -4.317 -5.038 1.00 0.00 H new ATOM 0 HA GLN A 74 4.492 -6.465 -5.239 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.586 -3.696 -4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.084 -4.780 -3.016 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.221 -4.759 -5.833 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.972 -4.008 -4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.835 -5.233 -3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.848 -6.997 -3.884 1.00 0.00 H new ATOM 1092 N SER A 75 4.140 -7.433 -2.885 1.00 0.00 N ATOM 1093 CA SER A 75 3.668 -8.319 -1.847 1.00 0.00 C ATOM 1094 C SER A 75 3.343 -7.598 -0.555 1.00 0.00 C ATOM 1095 O SER A 75 4.059 -6.673 -0.172 1.00 0.00 O ATOM 1096 CB SER A 75 4.760 -9.354 -1.550 1.00 0.00 C ATOM 1097 OG SER A 75 6.071 -8.835 -1.734 1.00 0.00 O ATOM 0 H SER A 75 5.093 -7.629 -3.191 1.00 0.00 H new ATOM 0 HA SER A 75 2.750 -8.781 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.653 -9.705 -0.524 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.621 -10.219 -2.199 1.00 0.00 H new ATOM 0 HG SER A 75 6.196 -8.050 -1.161 1.00 0.00 H new ATOM 1103 N ILE A 76 2.349 -8.109 0.169 1.00 0.00 N ATOM 1104 CA ILE A 76 2.084 -7.705 1.542 1.00 0.00 C ATOM 1105 C ILE A 76 1.901 -8.921 2.480 1.00 0.00 C ATOM 1106 O ILE A 76 1.854 -8.772 3.702 1.00 0.00 O ATOM 1107 CB ILE A 76 0.927 -6.680 1.575 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.414 -7.371 1.245 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.121 -5.511 0.591 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -1.619 -6.458 1.060 1.00 0.00 C ATOM 0 H ILE A 76 1.705 -8.817 -0.184 1.00 0.00 H new ATOM 0 HA ILE A 76 2.958 -7.193 1.945 1.00 0.00 H new ATOM 0 HB ILE A 76 0.920 -6.273 2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.283 -7.953 0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.640 -8.077 2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.274 -4.829 0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.039 -4.977 0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.187 -5.898 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.499 -7.059 0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.792 -5.893 1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.429 -5.767 0.239 1.00 0.00 H new ATOM 1122 N ILE A 77 1.855 -10.146 1.941 1.00 0.00 N ATOM 1123 CA ILE A 77 1.765 -11.364 2.744 1.00 0.00 C ATOM 1124 C ILE A 77 3.159 -11.727 3.292 1.00 0.00 C ATOM 1125 O ILE A 77 3.304 -12.063 4.474 1.00 0.00 O ATOM 1126 CB ILE A 77 1.120 -12.514 1.938 1.00 0.00 C ATOM 1127 CG1 ILE A 77 -0.098 -12.058 1.097 1.00 0.00 C ATOM 1128 CG2 ILE A 77 0.742 -13.676 2.873 1.00 0.00 C ATOM 1129 CD1 ILE A 77 -1.279 -11.486 1.889 1.00 0.00 C ATOM 0 H ILE A 77 1.879 -10.317 0.936 1.00 0.00 H new ATOM 0 HA ILE A 77 1.110 -11.189 3.598 1.00 0.00 H new ATOM 0 HB ILE A 77 1.868 -12.859 1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.238 -11.303 0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.453 -12.909 0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.289 -14.479 2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.637 -14.049 3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.032 -13.325 3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.074 -11.200 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.653 -12.241 2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.951 -10.610 2.449 1.00 0.00 H new ATOM 1141 N ASN A 78 4.191 -11.681 2.445 1.00 0.00 N ATOM 1142 CA ASN A 78 5.560 -12.037 2.826 1.00 0.00 C ATOM 1143 C ASN A 78 6.344 -10.853 3.384 1.00 0.00 C ATOM 1144 O ASN A 78 7.267 -11.071 4.165 1.00 0.00 O ATOM 1145 CB ASN A 78 6.339 -12.603 1.629 1.00 0.00 C ATOM 1146 CG ASN A 78 6.014 -14.061 1.363 1.00 0.00 C ATOM 1147 OD1 ASN A 78 5.440 -14.405 0.330 1.00 0.00 O ATOM 1148 ND2 ASN A 78 6.381 -14.946 2.273 1.00 0.00 N ATOM 0 H ASN A 78 4.099 -11.394 1.470 1.00 0.00 H new ATOM 0 HA ASN A 78 5.460 -12.791 3.607 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.111 -12.015 0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.408 -12.500 1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.190 -15.937 2.127 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.856 -14.638 3.122 1.00 0.00 H new ATOM 1155 N MET A 79 6.045 -9.623 2.959 1.00 0.00 N ATOM 1156 CA MET A 79 6.793 -8.453 3.400 1.00 0.00 C ATOM 1157 C MET A 79 6.502 -8.138 4.873 1.00 0.00 C ATOM 1158 O MET A 79 5.403 -8.427 5.349 1.00 0.00 O ATOM 1159 CB MET A 79 6.452 -7.259 2.495 1.00 0.00 C ATOM 1160 CG MET A 79 7.524 -7.115 1.421 1.00 0.00 C ATOM 1161 SD MET A 79 7.121 -6.185 -0.080 1.00 0.00 S ATOM 1162 CE MET A 79 7.306 -4.492 0.538 1.00 0.00 C ATOM 0 H MET A 79 5.287 -9.416 2.308 1.00 0.00 H new ATOM 0 HA MET A 79 7.860 -8.660 3.321 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.476 -7.406 2.033 1.00 0.00 H new ATOM 0 HB3 MET A 79 6.390 -6.346 3.087 1.00 0.00 H new ATOM 0 HG2 MET A 79 8.393 -6.643 1.880 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.828 -8.117 1.119 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.075 -3.786 -0.260 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.623 -4.333 1.372 1.00 0.00 H new ATOM 0 HE3 MET A 79 8.331 -4.337 0.874 1.00 0.00 H new ATOM 1172 N PRO A 80 7.451 -7.512 5.591 1.00 0.00 N ATOM 1173 CA PRO A 80 7.212 -7.009 6.935 1.00 0.00 C ATOM 1174 C PRO A 80 6.340 -5.749 6.864 1.00 0.00 C ATOM 1175 O PRO A 80 6.362 -5.007 5.877 1.00 0.00 O ATOM 1176 CB PRO A 80 8.604 -6.726 7.502 1.00 0.00 C ATOM 1177 CG PRO A 80 9.428 -6.367 6.272 1.00 0.00 C ATOM 1178 CD PRO A 80 8.798 -7.181 5.147 1.00 0.00 C ATOM 0 HA PRO A 80 6.674 -7.711 7.572 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.584 -5.909 8.223 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.011 -7.596 8.017 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.385 -5.298 6.062 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.479 -6.623 6.408 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.773 -6.609 4.220 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.376 -8.084 4.949 1.00 0.00 H new ATOM 1186 N HIS A 81 5.583 -5.472 7.929 1.00 0.00 N ATOM 1187 CA HIS A 81 4.528 -4.467 7.881 1.00 0.00 C ATOM 1188 C HIS A 81 5.062 -3.063 7.591 1.00 0.00 C ATOM 1189 O HIS A 81 4.397 -2.308 6.883 1.00 0.00 O ATOM 1190 CB HIS A 81 3.726 -4.472 9.182 1.00 0.00 C ATOM 1191 CG HIS A 81 2.313 -3.963 9.044 1.00 0.00 C ATOM 1192 ND1 HIS A 81 1.866 -2.984 8.185 1.00 0.00 N ATOM 1193 CD2 HIS A 81 1.240 -4.404 9.766 1.00 0.00 C ATOM 1194 CE1 HIS A 81 0.549 -2.830 8.394 1.00 0.00 C ATOM 1195 NE2 HIS A 81 0.122 -3.661 9.363 1.00 0.00 N ATOM 0 H HIS A 81 5.684 -5.932 8.834 1.00 0.00 H new ATOM 0 HA HIS A 81 3.874 -4.736 7.052 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.696 -5.489 9.573 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.249 -3.863 9.919 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.251 -5.184 10.513 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.081 -2.135 7.859 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.826 -3.735 9.731 1.00 0.00 H new ATOM 1203 N ALA A 82 6.225 -2.686 8.131 1.00 0.00 N ATOM 1204 CA ALA A 82 6.747 -1.337 7.947 1.00 0.00 C ATOM 1205 C ALA A 82 7.196 -1.099 6.506 1.00 0.00 C ATOM 1206 O ALA A 82 7.128 0.041 6.045 1.00 0.00 O ATOM 1207 CB ALA A 82 7.908 -1.074 8.898 1.00 0.00 C ATOM 0 H ALA A 82 6.817 -3.295 8.695 1.00 0.00 H new ATOM 0 HA ALA A 82 5.936 -0.644 8.171 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.282 -0.062 8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.567 -1.182 9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.707 -1.790 8.704 1.00 0.00 H new ATOM 1213 N ASP A 83 7.613 -2.152 5.795 1.00 0.00 N ATOM 1214 CA ASP A 83 7.997 -2.076 4.388 1.00 0.00 C ATOM 1215 C ASP A 83 6.751 -1.790 3.555 1.00 0.00 C ATOM 1216 O ASP A 83 6.785 -0.915 2.694 1.00 0.00 O ATOM 1217 CB ASP A 83 8.664 -3.373 3.896 1.00 0.00 C ATOM 1218 CG ASP A 83 10.140 -3.501 4.268 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.530 -3.147 5.405 1.00 0.00 O ATOM 1220 OD2 ASP A 83 10.929 -3.957 3.410 1.00 0.00 O ATOM 0 H ASP A 83 7.693 -3.090 6.188 1.00 0.00 H new ATOM 0 HA ASP A 83 8.728 -1.275 4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.123 -4.225 4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.569 -3.428 2.812 1.00 0.00 H new ATOM 1225 N ILE A 84 5.649 -2.496 3.839 1.00 0.00 N ATOM 1226 CA ILE A 84 4.342 -2.317 3.203 1.00 0.00 C ATOM 1227 C ILE A 84 3.792 -0.918 3.539 1.00 0.00 C ATOM 1228 O ILE A 84 3.185 -0.263 2.689 1.00 0.00 O ATOM 1229 CB ILE A 84 3.388 -3.437 3.700 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.860 -4.852 3.284 1.00 0.00 C ATOM 1231 CG2 ILE A 84 1.945 -3.238 3.197 1.00 0.00 C ATOM 1232 CD1 ILE A 84 3.441 -5.935 4.282 1.00 0.00 C ATOM 0 H ILE A 84 5.645 -3.233 4.544 1.00 0.00 H new ATOM 0 HA ILE A 84 4.430 -2.389 2.119 1.00 0.00 H new ATOM 0 HB ILE A 84 3.408 -3.362 4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.452 -5.092 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.946 -4.854 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.315 -4.045 3.570 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.562 -2.283 3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.935 -3.244 2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.799 -6.905 3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.871 -5.715 5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.354 -5.957 4.360 1.00 0.00 H new ATOM 1244 N VAL A 85 3.985 -0.417 4.763 1.00 0.00 N ATOM 1245 CA VAL A 85 3.634 0.951 5.106 1.00 0.00 C ATOM 1246 C VAL A 85 4.457 1.911 4.242 1.00 0.00 C ATOM 1247 O VAL A 85 3.890 2.852 3.676 1.00 0.00 O ATOM 1248 CB VAL A 85 3.809 1.182 6.611 1.00 0.00 C ATOM 1249 CG1 VAL A 85 3.793 2.665 6.964 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.711 0.509 7.446 1.00 0.00 C ATOM 0 H VAL A 85 4.387 -0.950 5.534 1.00 0.00 H new ATOM 0 HA VAL A 85 2.583 1.144 4.892 1.00 0.00 H new ATOM 0 HB VAL A 85 4.777 0.740 6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.920 2.784 8.040 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.606 3.172 6.444 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.841 3.101 6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.886 0.706 8.504 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.739 0.909 7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.728 -0.567 7.270 1.00 0.00 H new ATOM 1260 N LYS A 86 5.776 1.707 4.129 1.00 0.00 N ATOM 1261 CA LYS A 86 6.606 2.620 3.359 1.00 0.00 C ATOM 1262 C LYS A 86 6.192 2.592 1.897 1.00 0.00 C ATOM 1263 O LYS A 86 6.136 3.655 1.294 1.00 0.00 O ATOM 1264 CB LYS A 86 8.111 2.341 3.535 1.00 0.00 C ATOM 1265 CG LYS A 86 8.884 3.603 3.952 1.00 0.00 C ATOM 1266 CD LYS A 86 8.814 4.770 2.954 1.00 0.00 C ATOM 1267 CE LYS A 86 9.446 6.013 3.582 1.00 0.00 C ATOM 1268 NZ LYS A 86 9.105 7.238 2.833 1.00 0.00 N ATOM 0 H LYS A 86 6.278 0.929 4.556 1.00 0.00 H new ATOM 0 HA LYS A 86 6.443 3.626 3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.251 1.565 4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.521 1.957 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.500 3.944 4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.930 3.336 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.336 4.508 2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.777 4.972 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.108 6.111 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.529 5.895 3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.551 8.059 3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.450 7.155 1.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.073 7.365 2.826 1.00 0.00 H new ATOM 1282 N LEU A 87 5.825 1.434 1.353 1.00 0.00 N ATOM 1283 CA LEU A 87 5.289 1.266 0.025 1.00 0.00 C ATOM 1284 C LEU A 87 4.057 2.142 -0.195 1.00 0.00 C ATOM 1285 O LEU A 87 3.956 2.771 -1.242 1.00 0.00 O ATOM 1286 CB LEU A 87 4.933 -0.223 -0.108 1.00 0.00 C ATOM 1287 CG LEU A 87 5.937 -1.186 -0.763 1.00 0.00 C ATOM 1288 CD1 LEU A 87 5.417 -1.619 -2.127 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.368 -0.679 -0.905 1.00 0.00 C ATOM 0 H LEU A 87 5.901 0.552 1.859 1.00 0.00 H new ATOM 0 HA LEU A 87 6.016 1.570 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.725 -0.600 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.003 -0.287 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 87 6.006 -2.021 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.131 -2.301 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.458 -2.123 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.289 -0.743 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.980 -1.446 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.376 0.222 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.773 -0.451 0.081 1.00 0.00 H new ATOM 1301 N ILE A 88 3.123 2.216 0.757 1.00 0.00 N ATOM 1302 CA ILE A 88 1.944 3.073 0.642 1.00 0.00 C ATOM 1303 C ILE A 88 2.377 4.542 0.712 1.00 0.00 C ATOM 1304 O ILE A 88 1.879 5.380 -0.042 1.00 0.00 O ATOM 1305 CB ILE A 88 0.938 2.717 1.754 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.382 1.287 1.564 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -0.232 3.714 1.809 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -0.198 0.696 2.853 1.00 0.00 C ATOM 0 H ILE A 88 3.164 1.684 1.626 1.00 0.00 H new ATOM 0 HA ILE A 88 1.450 2.913 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 88 1.483 2.770 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.392 1.303 0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.179 0.638 1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.918 3.427 2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.152 4.715 2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.761 3.708 0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.572 -0.309 2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.580 0.651 3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.015 1.325 3.206 1.00 0.00 H new ATOM 1320 N LYS A 89 3.283 4.878 1.632 1.00 0.00 N ATOM 1321 CA LYS A 89 3.742 6.248 1.815 1.00 0.00 C ATOM 1322 C LYS A 89 4.480 6.738 0.568 1.00 0.00 C ATOM 1323 O LYS A 89 4.326 7.893 0.175 1.00 0.00 O ATOM 1324 CB LYS A 89 4.608 6.316 3.084 1.00 0.00 C ATOM 1325 CG LYS A 89 4.404 7.652 3.801 1.00 0.00 C ATOM 1326 CD LYS A 89 5.132 7.689 5.152 1.00 0.00 C ATOM 1327 CE LYS A 89 4.483 8.660 6.147 1.00 0.00 C ATOM 1328 NZ LYS A 89 4.448 10.057 5.663 1.00 0.00 N ATOM 0 H LYS A 89 3.716 4.207 2.267 1.00 0.00 H new ATOM 0 HA LYS A 89 2.893 6.918 1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.349 5.495 3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.659 6.194 2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.767 8.463 3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.339 7.822 3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.143 6.687 5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.171 7.979 4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.465 8.329 6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.030 8.623 7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.998 10.662 6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.418 10.389 5.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.903 10.104 4.779 1.00 0.00 H new ATOM 1342 N ASP A 90 5.268 5.871 -0.061 1.00 0.00 N ATOM 1343 CA ASP A 90 6.054 6.115 -1.267 1.00 0.00 C ATOM 1344 C ASP A 90 5.237 5.888 -2.541 1.00 0.00 C ATOM 1345 O ASP A 90 5.749 6.130 -3.637 1.00 0.00 O ATOM 1346 CB ASP A 90 7.280 5.189 -1.277 1.00 0.00 C ATOM 1347 CG ASP A 90 8.359 5.696 -2.240 1.00 0.00 C ATOM 1348 OD1 ASP A 90 8.788 6.863 -2.076 1.00 0.00 O ATOM 1349 OD2 ASP A 90 8.847 4.915 -3.085 1.00 0.00 O ATOM 0 H ASP A 90 5.382 4.917 0.280 1.00 0.00 H new ATOM 0 HA ASP A 90 6.366 7.159 -1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.693 5.119 -0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.975 4.183 -1.567 1.00 0.00 H new ATOM 1354 N ALA A 91 3.974 5.441 -2.417 1.00 0.00 N ATOM 1355 CA ALA A 91 3.184 4.914 -3.531 1.00 0.00 C ATOM 1356 C ALA A 91 3.075 5.873 -4.720 1.00 0.00 C ATOM 1357 O ALA A 91 2.953 5.411 -5.854 1.00 0.00 O ATOM 1358 CB ALA A 91 1.782 4.528 -3.051 1.00 0.00 C ATOM 0 H ALA A 91 3.473 5.438 -1.528 1.00 0.00 H new ATOM 0 HA ALA A 91 3.720 4.034 -3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.205 4.138 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.860 3.764 -2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.282 5.407 -2.644 1.00 0.00 H new ATOM 1364 N GLY A 92 3.193 7.182 -4.488 1.00 0.00 N ATOM 1365 CA GLY A 92 3.249 8.188 -5.537 1.00 0.00 C ATOM 1366 C GLY A 92 1.910 8.890 -5.700 1.00 0.00 C ATOM 1367 O GLY A 92 1.520 9.203 -6.821 1.00 0.00 O ATOM 0 H GLY A 92 3.253 7.574 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.020 8.921 -5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.533 7.719 -6.479 1.00 0.00 H new ATOM 1371 N LEU A 93 1.187 9.116 -4.593 1.00 0.00 N ATOM 1372 CA LEU A 93 -0.166 9.696 -4.479 1.00 0.00 C ATOM 1373 C LEU A 93 -1.243 8.790 -5.016 1.00 0.00 C ATOM 1374 O LEU A 93 -2.332 8.771 -4.458 1.00 0.00 O ATOM 1375 CB LEU A 93 -0.338 11.053 -5.167 1.00 0.00 C ATOM 1376 CG LEU A 93 0.716 12.042 -4.716 1.00 0.00 C ATOM 1377 CD1 LEU A 93 0.685 13.343 -5.504 1.00 0.00 C ATOM 1378 CD2 LEU A 93 0.573 12.381 -3.230 1.00 0.00 C ATOM 0 H LEU A 93 1.563 8.879 -3.675 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.275 9.828 -3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.279 10.924 -6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.329 11.450 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 93 1.668 11.544 -4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.463 14.011 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.858 13.133 -6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.288 13.818 -5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.347 13.093 -2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.409 12.819 -3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.679 11.472 -2.638 1.00 0.00 H new ATOM 1390 N SER A 94 -0.915 7.990 -6.011 1.00 0.00 N ATOM 1391 CA SER A 94 -1.765 6.911 -6.435 1.00 0.00 C ATOM 1392 C SER A 94 -1.306 5.675 -5.669 1.00 0.00 C ATOM 1393 O SER A 94 -0.122 5.521 -5.358 1.00 0.00 O ATOM 1394 CB SER A 94 -1.594 6.641 -7.923 1.00 0.00 C ATOM 1395 OG SER A 94 -1.495 7.803 -8.730 1.00 0.00 O ATOM 0 H SER A 94 -0.050 8.075 -6.544 1.00 0.00 H new ATOM 0 HA SER A 94 -2.810 7.158 -6.247 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.698 6.037 -8.068 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.439 6.046 -8.270 1.00 0.00 H new ATOM 0 HG SER A 94 -2.394 8.117 -8.963 1.00 0.00 H new ATOM 1401 N VAL A 95 -2.238 4.783 -5.369 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.962 3.468 -4.854 1.00 0.00 C ATOM 1403 C VAL A 95 -2.932 2.517 -5.536 1.00 0.00 C ATOM 1404 O VAL A 95 -4.143 2.731 -5.507 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.006 3.471 -3.317 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -3.355 3.837 -2.682 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.544 2.113 -2.799 1.00 0.00 C ATOM 0 H VAL A 95 -3.234 4.969 -5.484 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.952 3.127 -5.081 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.334 4.274 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.266 3.806 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.644 4.841 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.114 3.124 -3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.573 2.110 -1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.203 1.334 -3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.525 1.923 -3.135 1.00 0.00 H new ATOM 1417 N THR A 96 -2.374 1.496 -6.172 1.00 0.00 N ATOM 1418 CA THR A 96 -3.105 0.444 -6.845 1.00 0.00 C ATOM 1419 C THR A 96 -3.145 -0.751 -5.882 1.00 0.00 C ATOM 1420 O THR A 96 -2.095 -1.179 -5.400 1.00 0.00 O ATOM 1421 CB THR A 96 -2.404 0.145 -8.183 1.00 0.00 C ATOM 1422 OG1 THR A 96 -2.174 1.351 -8.897 1.00 0.00 O ATOM 1423 CG2 THR A 96 -3.244 -0.794 -9.041 1.00 0.00 C ATOM 0 H THR A 96 -1.363 1.378 -6.233 1.00 0.00 H new ATOM 0 HA THR A 96 -4.132 0.714 -7.091 1.00 0.00 H new ATOM 0 HB THR A 96 -1.452 -0.337 -7.961 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.726 1.149 -9.745 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.727 -0.989 -9.980 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.398 -1.733 -8.509 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.209 -0.332 -9.248 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.323 -1.266 -5.531 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.500 -2.303 -4.508 1.00 0.00 C ATOM 1433 C LEU A 97 -5.144 -3.534 -5.127 1.00 0.00 C ATOM 1434 O LEU A 97 -6.243 -3.449 -5.675 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.356 -1.766 -3.348 1.00 0.00 C ATOM 1436 CG LEU A 97 -4.591 -0.751 -2.484 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -5.581 0.159 -1.753 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -3.689 -1.487 -1.489 1.00 0.00 C ATOM 0 H LEU A 97 -5.201 -0.969 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.524 -2.583 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.254 -1.296 -3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.683 -2.598 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.962 -0.132 -3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.033 0.876 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.190 0.694 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.226 -0.444 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.150 -0.761 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.299 -2.120 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.975 -2.105 -2.033 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.469 -4.681 -5.021 1.00 0.00 N ATOM 1451 CA ARG A 98 -5.007 -5.972 -5.440 1.00 0.00 C ATOM 1452 C ARG A 98 -5.817 -6.519 -4.268 1.00 0.00 C ATOM 1453 O ARG A 98 -5.236 -6.854 -3.232 1.00 0.00 O ATOM 1454 CB ARG A 98 -3.851 -6.892 -5.869 1.00 0.00 C ATOM 1455 CG ARG A 98 -4.272 -8.239 -6.478 1.00 0.00 C ATOM 1456 CD ARG A 98 -3.058 -9.094 -6.903 1.00 0.00 C ATOM 1457 NE ARG A 98 -2.237 -9.563 -5.768 1.00 0.00 N ATOM 1458 CZ ARG A 98 -1.292 -10.520 -5.796 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -1.020 -11.195 -6.912 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -0.617 -10.811 -4.686 1.00 0.00 N ATOM 0 H ARG A 98 -3.525 -4.737 -4.638 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.664 -5.891 -6.306 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.236 -6.360 -6.595 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.222 -7.086 -5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.868 -8.793 -5.753 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.909 -8.061 -7.344 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -3.412 -9.958 -7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.431 -8.510 -7.577 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.404 -9.114 -4.868 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.533 -10.990 -7.770 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.299 -11.916 -6.909 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.818 -10.309 -3.821 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.101 -11.536 -4.701 1.00 0.00 H new ATOM 1474 N ILE A 99 -7.134 -6.598 -4.423 1.00 0.00 N ATOM 1475 CA ILE A 99 -8.077 -7.182 -3.463 1.00 0.00 C ATOM 1476 C ILE A 99 -8.791 -8.365 -4.130 1.00 0.00 C ATOM 1477 O ILE A 99 -8.668 -8.532 -5.345 1.00 0.00 O ATOM 1478 CB ILE A 99 -9.029 -6.102 -2.901 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -9.886 -5.382 -3.966 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.228 -5.052 -2.122 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.322 -5.906 -3.971 1.00 0.00 C ATOM 0 H ILE A 99 -7.599 -6.242 -5.258 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.551 -7.573 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.722 -6.639 -2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.889 -4.310 -3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.441 -5.525 -4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.906 -4.295 -1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.704 -5.533 -1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.503 -4.581 -2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -11.899 -5.379 -4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.319 -6.973 -4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.773 -5.740 -2.993 1.00 0.00 H new ATOM 1493 N ILE A 100 -9.498 -9.200 -3.362 1.00 0.00 N ATOM 1494 CA ILE A 100 -10.387 -10.227 -3.918 1.00 0.00 C ATOM 1495 C ILE A 100 -11.819 -9.695 -3.825 1.00 0.00 C ATOM 1496 O ILE A 100 -12.266 -9.404 -2.716 1.00 0.00 O ATOM 1497 CB ILE A 100 -10.227 -11.598 -3.232 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -9.006 -12.328 -3.825 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -11.450 -12.500 -3.481 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -8.377 -13.260 -2.785 1.00 0.00 C ATOM 0 H ILE A 100 -9.471 -9.184 -2.342 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.121 -10.413 -4.959 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.113 -11.415 -2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.309 -12.903 -4.700 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.268 -11.600 -4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.303 -13.458 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.344 -12.019 -3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.570 -12.663 -4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.517 -13.766 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.055 -12.677 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.111 -14.001 -2.469 1.00 0.00 H new