USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 675 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 13 LYS NZ :NH3+ 150:sc= 2.12 (180deg=-0.441!) USER MOD Set 1.2: A 98 SER OG : rot 57:sc= 2.11 USER MOD Set 2.1: A 30 THR OG1 : rot 135:sc= 1.21 USER MOD Set 2.2: A 91 SER OG : rot -25:sc= 1.15 USER MOD Set 3.1: A 39 SER OG : rot 86:sc= 1.14 USER MOD Set 3.2: A 40 LYS NZ :NH3+ -154:sc= 2.41 (180deg=2.21) USER MOD Set 3.3: A 63 SER OG : rot -93:sc= 1.23 USER MOD Set 3.4: A 65 THR OG1 : rot 92:sc= 2.38 USER MOD Set 4.1: A 24 THR OG1 : rot 130:sc= 0 USER MOD Set 4.2: A 32 LYS NZ :NH3+ 134:sc= 2.45 (180deg=0) USER MOD Set 4.3: A 33 SER OG : rot 108:sc= 2.13 USER MOD Set 4.4: A 36 GLN : amide:sc= 1.09 K(o=5.7,f=-5.5!) USER MOD Single : A 9 SER OG : rot -27:sc= 0.15 USER MOD Single : A 11 ASN : amide:sc= -0.0132 K(o=-0.013,f=-1.8) USER MOD Single : A 12 GLN : amide:sc= 1.02 K(o=1,f=-0.022) USER MOD Single : A 19 LYS NZ :NH3+ -155:sc= 1.21 (180deg=-1.28!) USER MOD Single : A 20 SER OG : rot -61:sc= 0.952 USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= 1.32 (180deg=1.22) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -173:sc= 1.63 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 164:sc= 1.3 USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0.955 (180deg=0.804) USER MOD Single : A 47 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.4) USER MOD Single : A 48 THR OG1 : rot -160:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 159:sc= 1.09 (180deg=0.522) USER MOD Single : A 54 SER OG : rot 98:sc= 0.703 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -179:sc= 1.83 USER MOD Single : A 61 MET CE :methyl -167:sc= -0.0177 (180deg=-0.237) USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= 2.36 (180deg=2.14) USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= 1.23 (180deg=1.16) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0.692 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0138 USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 9 9.038 7.485 -25.396 1.00 0.00 N ATOM 109 CA SER A 9 8.625 6.323 -26.192 1.00 0.00 C ATOM 110 C SER A 9 7.385 5.627 -25.612 1.00 0.00 C ATOM 111 O SER A 9 6.333 5.614 -26.255 1.00 0.00 O ATOM 112 CB SER A 9 9.799 5.343 -26.341 1.00 0.00 C ATOM 113 OG SER A 9 10.332 4.973 -25.080 1.00 0.00 O ATOM 0 HA SER A 9 8.339 6.683 -27.180 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.465 4.451 -26.871 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.581 5.800 -26.947 1.00 0.00 H new ATOM 0 HG SER A 9 10.171 5.692 -24.433 1.00 0.00 H new ATOM 119 N ILE A 10 7.485 5.081 -24.392 1.00 0.00 N ATOM 120 CA ILE A 10 6.323 4.620 -23.627 1.00 0.00 C ATOM 121 C ILE A 10 5.365 5.782 -23.328 1.00 0.00 C ATOM 122 O ILE A 10 4.178 5.648 -23.605 1.00 0.00 O ATOM 123 CB ILE A 10 6.699 3.805 -22.379 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.371 3.346 -21.730 1.00 0.00 C ATOM 125 CG2 ILE A 10 7.638 4.510 -21.390 1.00 0.00 C ATOM 126 CD1 ILE A 10 5.541 2.173 -20.804 1.00 0.00 C ATOM 0 H ILE A 10 8.374 4.948 -23.910 1.00 0.00 H new ATOM 0 HA ILE A 10 5.784 3.914 -24.259 1.00 0.00 H new ATOM 0 HB ILE A 10 7.303 2.952 -22.689 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.937 4.179 -21.176 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.662 3.082 -22.515 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.840 3.850 -20.547 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.574 4.757 -21.890 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.167 5.425 -21.030 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.574 1.900 -20.381 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.946 1.327 -21.359 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.226 2.441 -19.999 1.00 0.00 H new ATOM 138 N ASN A 11 5.854 6.907 -22.783 1.00 0.00 N ATOM 139 CA ASN A 11 5.018 7.980 -22.231 1.00 0.00 C ATOM 140 C ASN A 11 3.982 8.495 -23.245 1.00 0.00 C ATOM 141 O ASN A 11 2.784 8.469 -22.972 1.00 0.00 O ATOM 142 CB ASN A 11 5.919 9.116 -21.694 1.00 0.00 C ATOM 143 CG ASN A 11 5.422 9.783 -20.420 1.00 0.00 C ATOM 144 OD1 ASN A 11 4.307 9.602 -19.961 1.00 0.00 O ATOM 145 ND2 ASN A 11 6.283 10.548 -19.781 1.00 0.00 N ATOM 0 H ASN A 11 6.854 7.098 -22.713 1.00 0.00 H new ATOM 0 HA ASN A 11 4.441 7.572 -21.402 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.915 8.713 -21.511 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.020 9.876 -22.469 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.017 10.990 -18.901 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.215 10.698 -20.166 1.00 0.00 H new ATOM 152 N GLN A 12 4.430 8.925 -24.433 1.00 0.00 N ATOM 153 CA GLN A 12 3.557 9.465 -25.475 1.00 0.00 C ATOM 154 C GLN A 12 2.609 8.399 -26.040 1.00 0.00 C ATOM 155 O GLN A 12 1.430 8.697 -26.240 1.00 0.00 O ATOM 156 CB GLN A 12 4.409 10.110 -26.582 1.00 0.00 C ATOM 157 CG GLN A 12 3.601 10.697 -27.757 1.00 0.00 C ATOM 158 CD GLN A 12 2.600 11.775 -27.345 1.00 0.00 C ATOM 159 OE1 GLN A 12 2.862 12.962 -27.429 1.00 0.00 O ATOM 160 NE2 GLN A 12 1.414 11.403 -26.898 1.00 0.00 N ATOM 0 H GLN A 12 5.415 8.906 -24.696 1.00 0.00 H new ATOM 0 HA GLN A 12 2.924 10.232 -25.029 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.012 10.904 -26.141 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.100 9.363 -26.972 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.293 11.118 -28.486 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.065 9.889 -28.256 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.185 10.412 -26.824 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.727 12.107 -26.627 1.00 0.00 H new ATOM 169 N LYS A 13 3.097 7.175 -26.297 1.00 0.00 N ATOM 170 CA LYS A 13 2.272 6.071 -26.810 1.00 0.00 C ATOM 171 C LYS A 13 1.194 5.667 -25.800 1.00 0.00 C ATOM 172 O LYS A 13 0.032 5.497 -26.165 1.00 0.00 O ATOM 173 CB LYS A 13 3.190 4.897 -27.190 1.00 0.00 C ATOM 174 CG LYS A 13 2.451 3.795 -27.966 1.00 0.00 C ATOM 175 CD LYS A 13 3.439 2.698 -28.397 1.00 0.00 C ATOM 176 CE LYS A 13 2.749 1.487 -29.035 1.00 0.00 C ATOM 177 NZ LYS A 13 2.050 1.816 -30.297 1.00 0.00 N ATOM 0 H LYS A 13 4.075 6.923 -26.155 1.00 0.00 H new ATOM 0 HA LYS A 13 1.739 6.396 -27.704 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.018 5.269 -27.794 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.622 4.471 -26.285 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.667 3.365 -27.343 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.964 4.221 -28.843 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.153 3.118 -29.106 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.009 2.368 -27.528 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.492 0.713 -29.229 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.032 1.070 -28.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.050 0.984 -30.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.069 2.093 -30.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.539 2.603 -30.770 1.00 0.00 H new ATOM 191 N LEU A 14 1.565 5.558 -24.523 1.00 0.00 N ATOM 192 CA LEU A 14 0.666 5.234 -23.423 1.00 0.00 C ATOM 193 C LEU A 14 -0.326 6.373 -23.136 1.00 0.00 C ATOM 194 O LEU A 14 -1.492 6.092 -22.883 1.00 0.00 O ATOM 195 CB LEU A 14 1.514 4.829 -22.210 1.00 0.00 C ATOM 196 CG LEU A 14 0.693 4.131 -21.109 1.00 0.00 C ATOM 197 CD1 LEU A 14 1.495 2.987 -20.496 1.00 0.00 C ATOM 198 CD2 LEU A 14 0.348 5.107 -19.992 1.00 0.00 C ATOM 0 H LEU A 14 2.529 5.698 -24.221 1.00 0.00 H new ATOM 0 HA LEU A 14 0.032 4.389 -23.692 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.313 4.163 -22.538 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.990 5.717 -21.793 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.220 3.754 -21.570 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.903 2.503 -19.720 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.742 2.260 -21.270 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.414 3.379 -20.060 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.232 4.593 -19.226 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.266 5.496 -19.552 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.238 5.932 -20.398 1.00 0.00 H new ATOM 210 N ALA A 15 0.080 7.647 -23.247 1.00 0.00 N ATOM 211 CA ALA A 15 -0.841 8.786 -23.199 1.00 0.00 C ATOM 212 C ALA A 15 -1.827 8.793 -24.381 1.00 0.00 C ATOM 213 O ALA A 15 -3.027 8.975 -24.179 1.00 0.00 O ATOM 214 CB ALA A 15 -0.052 10.094 -23.157 1.00 0.00 C ATOM 0 H ALA A 15 1.057 7.913 -23.372 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.434 8.688 -22.290 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.744 10.935 -23.121 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.582 10.108 -22.271 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.569 10.173 -24.049 1.00 0.00 H new ATOM 220 N LEU A 16 -1.336 8.555 -25.608 1.00 0.00 N ATOM 221 CA LEU A 16 -2.159 8.380 -26.810 1.00 0.00 C ATOM 222 C LEU A 16 -3.180 7.253 -26.611 1.00 0.00 C ATOM 223 O LEU A 16 -4.337 7.414 -26.987 1.00 0.00 O ATOM 224 CB LEU A 16 -1.230 8.166 -28.021 1.00 0.00 C ATOM 225 CG LEU A 16 -1.925 7.949 -29.383 1.00 0.00 C ATOM 226 CD1 LEU A 16 -0.942 8.297 -30.506 1.00 0.00 C ATOM 227 CD2 LEU A 16 -2.334 6.493 -29.630 1.00 0.00 C ATOM 0 H LEU A 16 -0.336 8.478 -25.793 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.750 9.275 -27.004 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.573 9.031 -28.106 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.596 7.303 -27.818 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.815 8.578 -29.370 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.425 8.147 -31.472 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.636 9.339 -30.412 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.065 7.653 -30.434 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.816 6.411 -30.604 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.449 5.858 -29.609 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.028 6.173 -28.853 1.00 0.00 H new ATOM 239 N VAL A 17 -2.777 6.148 -25.976 1.00 0.00 N ATOM 240 CA VAL A 17 -3.691 5.108 -25.502 1.00 0.00 C ATOM 241 C VAL A 17 -4.702 5.656 -24.490 1.00 0.00 C ATOM 242 O VAL A 17 -5.896 5.612 -24.765 1.00 0.00 O ATOM 243 CB VAL A 17 -2.898 3.883 -25.007 1.00 0.00 C ATOM 244 CG1 VAL A 17 -3.666 2.961 -24.054 1.00 0.00 C ATOM 245 CG2 VAL A 17 -2.471 3.088 -26.243 1.00 0.00 C ATOM 0 H VAL A 17 -1.797 5.950 -25.775 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.299 4.761 -26.337 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.054 4.256 -24.427 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.027 2.128 -23.760 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.964 3.521 -23.167 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.554 2.577 -24.556 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.905 2.210 -25.933 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.356 2.773 -26.796 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.848 3.715 -26.881 1.00 0.00 H new ATOM 255 N ILE A 18 -4.251 6.196 -23.354 1.00 0.00 N ATOM 256 CA ILE A 18 -5.089 6.757 -22.278 1.00 0.00 C ATOM 257 C ILE A 18 -6.106 7.807 -22.766 1.00 0.00 C ATOM 258 O ILE A 18 -7.196 7.894 -22.203 1.00 0.00 O ATOM 259 CB ILE A 18 -4.166 7.236 -21.130 1.00 0.00 C ATOM 260 CG1 ILE A 18 -3.730 5.982 -20.330 1.00 0.00 C ATOM 261 CG2 ILE A 18 -4.870 8.271 -20.249 1.00 0.00 C ATOM 262 CD1 ILE A 18 -3.053 6.266 -18.989 1.00 0.00 C ATOM 0 H ILE A 18 -3.254 6.259 -23.146 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.737 5.973 -21.886 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.285 7.739 -21.529 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.608 5.362 -20.151 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.047 5.397 -20.946 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.197 8.588 -19.452 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.149 9.134 -20.854 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.766 7.829 -19.813 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.787 5.324 -18.509 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.152 6.856 -19.154 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.737 6.820 -18.346 1.00 0.00 H new ATOM 274 N LYS A 19 -5.810 8.540 -23.846 1.00 0.00 N ATOM 275 CA LYS A 19 -6.741 9.447 -24.532 1.00 0.00 C ATOM 276 C LYS A 19 -8.065 8.784 -24.978 1.00 0.00 C ATOM 277 O LYS A 19 -9.037 9.515 -25.164 1.00 0.00 O ATOM 278 CB LYS A 19 -5.947 10.189 -25.631 1.00 0.00 C ATOM 279 CG LYS A 19 -6.722 10.978 -26.705 1.00 0.00 C ATOM 280 CD LYS A 19 -7.214 10.136 -27.897 1.00 0.00 C ATOM 281 CE LYS A 19 -6.059 9.539 -28.713 1.00 0.00 C ATOM 282 NZ LYS A 19 -6.553 8.509 -29.647 1.00 0.00 N ATOM 0 H LYS A 19 -4.888 8.518 -24.281 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.123 10.190 -23.832 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.270 10.885 -25.136 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.329 9.453 -26.145 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.583 11.454 -26.235 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.082 11.776 -27.082 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.850 9.330 -27.530 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.830 10.758 -28.547 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.555 10.329 -29.270 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.321 9.102 -28.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.785 7.843 -29.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.343 7.994 -29.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.879 8.963 -30.524 1.00 0.00 H new ATOM 296 N SER A 20 -8.168 7.446 -25.077 1.00 0.00 N ATOM 297 CA SER A 20 -9.486 6.766 -25.071 1.00 0.00 C ATOM 298 C SER A 20 -9.543 5.340 -24.486 1.00 0.00 C ATOM 299 O SER A 20 -10.633 4.860 -24.171 1.00 0.00 O ATOM 300 CB SER A 20 -10.117 6.779 -26.470 1.00 0.00 C ATOM 301 OG SER A 20 -9.578 5.782 -27.309 1.00 0.00 O ATOM 0 H SER A 20 -7.369 6.817 -25.161 1.00 0.00 H new ATOM 0 HA SER A 20 -10.064 7.366 -24.368 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.194 6.634 -26.382 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.964 7.757 -26.926 1.00 0.00 H new ATOM 0 HG SER A 20 -8.617 5.936 -27.425 1.00 0.00 H new ATOM 307 N GLY A 21 -8.407 4.659 -24.297 1.00 0.00 N ATOM 308 CA GLY A 21 -8.322 3.304 -23.753 1.00 0.00 C ATOM 309 C GLY A 21 -8.443 3.256 -22.225 1.00 0.00 C ATOM 310 O GLY A 21 -8.194 4.235 -21.522 1.00 0.00 O ATOM 0 H GLY A 21 -7.494 5.051 -24.527 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.111 2.693 -24.192 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.372 2.860 -24.050 1.00 0.00 H new ATOM 314 N LYS A 22 -8.816 2.081 -21.705 1.00 0.00 N ATOM 315 CA LYS A 22 -9.159 1.867 -20.293 1.00 0.00 C ATOM 316 C LYS A 22 -7.896 1.722 -19.434 1.00 0.00 C ATOM 317 O LYS A 22 -7.103 0.808 -19.662 1.00 0.00 O ATOM 318 CB LYS A 22 -10.043 0.614 -20.160 1.00 0.00 C ATOM 319 CG LYS A 22 -11.529 0.811 -20.508 1.00 0.00 C ATOM 320 CD LYS A 22 -11.805 1.260 -21.953 1.00 0.00 C ATOM 321 CE LYS A 22 -13.272 1.032 -22.341 1.00 0.00 C ATOM 322 NZ LYS A 22 -13.538 -0.375 -22.734 1.00 0.00 N ATOM 0 H LYS A 22 -8.890 1.233 -22.267 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.709 2.737 -19.934 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.637 -0.166 -20.805 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.973 0.249 -19.135 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.056 -0.126 -20.328 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.951 1.550 -19.827 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.559 2.316 -22.060 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.157 0.711 -22.636 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.914 1.300 -21.502 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.534 1.693 -23.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.564 -0.541 -22.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.137 -0.554 -23.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.099 -1.017 -22.044 1.00 0.00 H new ATOM 336 N TYR A 23 -7.734 2.583 -18.422 1.00 0.00 N ATOM 337 CA TYR A 23 -6.633 2.533 -17.453 1.00 0.00 C ATOM 338 C TYR A 23 -7.098 2.551 -15.983 1.00 0.00 C ATOM 339 O TYR A 23 -8.274 2.755 -15.688 1.00 0.00 O ATOM 340 CB TYR A 23 -5.673 3.694 -17.746 1.00 0.00 C ATOM 341 CG TYR A 23 -6.253 5.070 -17.480 1.00 0.00 C ATOM 342 CD1 TYR A 23 -6.997 5.723 -18.479 1.00 0.00 C ATOM 343 CD2 TYR A 23 -6.052 5.691 -16.231 1.00 0.00 C ATOM 344 CE1 TYR A 23 -7.543 6.992 -18.229 1.00 0.00 C ATOM 345 CE2 TYR A 23 -6.604 6.960 -15.976 1.00 0.00 C ATOM 346 CZ TYR A 23 -7.349 7.616 -16.980 1.00 0.00 C ATOM 347 OH TYR A 23 -7.873 8.851 -16.753 1.00 0.00 O ATOM 0 H TYR A 23 -8.381 3.353 -18.250 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.125 1.576 -17.575 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.775 3.568 -17.141 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.364 3.639 -18.790 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.148 5.249 -19.437 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.473 5.192 -15.468 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.114 7.492 -18.997 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.458 7.431 -15.015 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.650 9.139 -15.843 1.00 0.00 H new ATOM 357 N THR A 24 -6.151 2.353 -15.056 1.00 0.00 N ATOM 358 CA THR A 24 -6.326 2.445 -13.596 1.00 0.00 C ATOM 359 C THR A 24 -5.080 3.062 -12.927 1.00 0.00 C ATOM 360 O THR A 24 -3.976 2.902 -13.448 1.00 0.00 O ATOM 361 CB THR A 24 -6.668 1.051 -13.033 1.00 0.00 C ATOM 362 OG1 THR A 24 -6.910 1.137 -11.653 1.00 0.00 O ATOM 363 CG2 THR A 24 -5.591 -0.015 -13.252 1.00 0.00 C ATOM 0 H THR A 24 -5.194 2.112 -15.314 1.00 0.00 H new ATOM 0 HA THR A 24 -7.157 3.113 -13.369 1.00 0.00 H new ATOM 0 HB THR A 24 -7.550 0.736 -13.590 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.756 0.691 -11.441 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.922 -0.960 -12.822 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.418 -0.143 -14.321 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.665 0.299 -12.770 1.00 0.00 H new ATOM 371 N LEU A 25 -5.250 3.770 -11.795 1.00 0.00 N ATOM 372 CA LEU A 25 -4.228 4.594 -11.117 1.00 0.00 C ATOM 373 C LEU A 25 -4.166 4.327 -9.604 1.00 0.00 C ATOM 374 O LEU A 25 -5.175 4.467 -8.909 1.00 0.00 O ATOM 375 CB LEU A 25 -4.538 6.100 -11.286 1.00 0.00 C ATOM 376 CG LEU A 25 -4.519 6.677 -12.707 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.934 8.148 -12.665 1.00 0.00 C ATOM 378 CD2 LEU A 25 -3.136 6.633 -13.345 1.00 0.00 C ATOM 0 H LEU A 25 -6.144 3.785 -11.304 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.279 4.324 -11.580 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.523 6.289 -10.860 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.819 6.660 -10.687 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.204 6.066 -13.295 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.921 8.559 -13.675 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.940 8.231 -12.253 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.238 8.705 -12.038 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.185 7.054 -14.349 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.438 7.213 -12.741 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.794 5.600 -13.402 1.00 0.00 H new ATOM 390 N GLY A 26 -2.975 4.021 -9.076 1.00 0.00 N ATOM 391 CA GLY A 26 -2.728 3.829 -7.643 1.00 0.00 C ATOM 392 C GLY A 26 -2.813 2.358 -7.223 1.00 0.00 C ATOM 393 O GLY A 26 -3.536 1.574 -7.835 1.00 0.00 O ATOM 0 H GLY A 26 -2.138 3.897 -9.646 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.741 4.218 -7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.453 4.409 -7.072 1.00 0.00 H new ATOM 397 N TYR A 27 -2.075 1.982 -6.168 1.00 0.00 N ATOM 398 CA TYR A 27 -1.764 0.582 -5.842 1.00 0.00 C ATOM 399 C TYR A 27 -3.014 -0.300 -5.701 1.00 0.00 C ATOM 400 O TYR A 27 -3.145 -1.295 -6.410 1.00 0.00 O ATOM 401 CB TYR A 27 -0.870 0.514 -4.594 1.00 0.00 C ATOM 402 CG TYR A 27 -0.216 -0.842 -4.393 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.996 -1.132 -5.051 1.00 0.00 C ATOM 404 CD2 TYR A 27 -0.810 -1.818 -3.562 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.597 -2.385 -4.889 1.00 0.00 C ATOM 406 CE2 TYR A 27 -0.194 -3.075 -3.382 1.00 0.00 C ATOM 407 CZ TYR A 27 1.015 -3.354 -4.055 1.00 0.00 C ATOM 408 OH TYR A 27 1.692 -4.519 -3.885 1.00 0.00 O ATOM 0 H TYR A 27 -1.673 2.649 -5.510 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.214 0.169 -6.688 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.094 1.276 -4.670 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.467 0.755 -3.715 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.461 -0.387 -5.680 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.742 -1.601 -3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.516 -2.609 -5.410 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.643 -3.815 -2.736 1.00 0.00 H new ATOM 0 HH TYR A 27 1.139 -5.148 -3.376 1.00 0.00 H new ATOM 418 N LYS A 28 -3.959 0.083 -4.831 1.00 0.00 N ATOM 419 CA LYS A 28 -5.231 -0.629 -4.643 1.00 0.00 C ATOM 420 C LYS A 28 -6.020 -0.751 -5.955 1.00 0.00 C ATOM 421 O LYS A 28 -6.543 -1.821 -6.255 1.00 0.00 O ATOM 422 CB LYS A 28 -6.042 0.073 -3.538 1.00 0.00 C ATOM 423 CG LYS A 28 -7.305 -0.711 -3.145 1.00 0.00 C ATOM 424 CD LYS A 28 -8.031 -0.028 -1.978 1.00 0.00 C ATOM 425 CE LYS A 28 -9.280 -0.829 -1.588 1.00 0.00 C ATOM 426 NZ LYS A 28 -10.000 -0.201 -0.453 1.00 0.00 N ATOM 0 H LYS A 28 -3.861 0.903 -4.233 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.023 -1.652 -4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.412 0.205 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.328 1.068 -3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.974 -0.784 -4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.034 -1.729 -2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.361 0.054 -1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.314 0.986 -2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.948 -0.904 -2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.992 -1.845 -1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.838 -0.769 -0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.370 -0.153 0.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.297 0.760 -0.719 1.00 0.00 H new ATOM 440 N SER A 29 -6.074 0.327 -6.742 1.00 0.00 N ATOM 441 CA SER A 29 -6.772 0.437 -8.023 1.00 0.00 C ATOM 442 C SER A 29 -6.241 -0.545 -9.068 1.00 0.00 C ATOM 443 O SER A 29 -7.034 -1.240 -9.720 1.00 0.00 O ATOM 444 CB SER A 29 -6.589 1.846 -8.589 1.00 0.00 C ATOM 445 OG SER A 29 -6.604 2.845 -7.592 1.00 0.00 O ATOM 0 H SER A 29 -5.604 1.196 -6.486 1.00 0.00 H new ATOM 0 HA SER A 29 -7.820 0.211 -7.826 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.644 1.895 -9.131 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.381 2.048 -9.310 1.00 0.00 H new ATOM 0 HG SER A 29 -6.237 3.677 -7.957 1.00 0.00 H new ATOM 451 N THR A 30 -4.909 -0.588 -9.246 1.00 0.00 N ATOM 452 CA THR A 30 -4.263 -1.634 -10.037 1.00 0.00 C ATOM 453 C THR A 30 -4.556 -2.996 -9.410 1.00 0.00 C ATOM 454 O THR A 30 -5.319 -3.724 -10.029 1.00 0.00 O ATOM 455 CB THR A 30 -2.803 -1.334 -10.405 1.00 0.00 C ATOM 456 OG1 THR A 30 -2.297 -2.402 -11.159 1.00 0.00 O ATOM 457 CG2 THR A 30 -1.849 -1.088 -9.247 1.00 0.00 C ATOM 0 H THR A 30 -4.263 0.094 -8.849 1.00 0.00 H new ATOM 0 HA THR A 30 -4.707 -1.661 -11.032 1.00 0.00 H new ATOM 0 HB THR A 30 -2.847 -0.393 -10.953 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.803 -2.053 -11.930 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.850 -0.888 -9.635 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.192 -0.230 -8.669 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.819 -1.969 -8.606 1.00 0.00 H new ATOM 465 N VAL A 31 -4.120 -3.313 -8.179 1.00 0.00 N ATOM 466 CA VAL A 31 -4.330 -4.629 -7.527 1.00 0.00 C ATOM 467 C VAL A 31 -5.751 -5.179 -7.713 1.00 0.00 C ATOM 468 O VAL A 31 -5.900 -6.310 -8.177 1.00 0.00 O ATOM 469 CB VAL A 31 -3.929 -4.587 -6.037 1.00 0.00 C ATOM 470 CG1 VAL A 31 -4.353 -5.858 -5.280 1.00 0.00 C ATOM 471 CG2 VAL A 31 -2.407 -4.448 -5.910 1.00 0.00 C ATOM 0 H VAL A 31 -3.603 -2.656 -7.595 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.669 -5.330 -8.037 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.442 -3.731 -5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.048 -5.779 -4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.436 -5.969 -5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.876 -6.727 -5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.131 -4.419 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.923 -5.299 -6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.084 -3.527 -6.395 1.00 0.00 H new ATOM 481 N LYS A 32 -6.789 -4.380 -7.424 1.00 0.00 N ATOM 482 CA LYS A 32 -8.198 -4.694 -7.702 1.00 0.00 C ATOM 483 C LYS A 32 -8.402 -5.100 -9.168 1.00 0.00 C ATOM 484 O LYS A 32 -8.924 -6.174 -9.451 1.00 0.00 O ATOM 485 CB LYS A 32 -9.054 -3.480 -7.281 1.00 0.00 C ATOM 486 CG LYS A 32 -10.584 -3.650 -7.374 1.00 0.00 C ATOM 487 CD LYS A 32 -11.197 -3.539 -8.780 1.00 0.00 C ATOM 488 CE LYS A 32 -11.021 -2.153 -9.421 1.00 0.00 C ATOM 489 NZ LYS A 32 -11.086 -2.228 -10.900 1.00 0.00 N ATOM 0 H LYS A 32 -6.667 -3.471 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.517 -5.559 -7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.801 -3.225 -6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.767 -2.630 -7.900 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.846 -4.625 -6.963 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.051 -2.899 -6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.741 -4.289 -9.426 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.260 -3.771 -8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.797 -1.480 -9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.063 -1.730 -9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.703 -1.472 -11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.131 -2.113 -11.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.469 -3.152 -11.184 1.00 0.00 H new ATOM 503 N SER A 33 -8.012 -4.233 -10.103 1.00 0.00 N ATOM 504 CA SER A 33 -8.175 -4.429 -11.550 1.00 0.00 C ATOM 505 C SER A 33 -7.370 -5.617 -12.103 1.00 0.00 C ATOM 506 O SER A 33 -7.843 -6.295 -13.014 1.00 0.00 O ATOM 507 CB SER A 33 -7.771 -3.150 -12.291 1.00 0.00 C ATOM 508 OG SER A 33 -8.395 -2.019 -11.702 1.00 0.00 O ATOM 0 H SER A 33 -7.560 -3.348 -9.871 1.00 0.00 H new ATOM 0 HA SER A 33 -9.228 -4.658 -11.716 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.688 -3.032 -12.262 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.055 -3.225 -13.341 1.00 0.00 H new ATOM 0 HG SER A 33 -7.727 -1.495 -11.212 1.00 0.00 H new ATOM 514 N LEU A 34 -6.187 -5.898 -11.538 1.00 0.00 N ATOM 515 CA LEU A 34 -5.389 -7.082 -11.870 1.00 0.00 C ATOM 516 C LEU A 34 -6.052 -8.354 -11.321 1.00 0.00 C ATOM 517 O LEU A 34 -6.142 -9.349 -12.035 1.00 0.00 O ATOM 518 CB LEU A 34 -3.942 -6.963 -11.351 1.00 0.00 C ATOM 519 CG LEU A 34 -3.194 -5.646 -11.619 1.00 0.00 C ATOM 520 CD1 LEU A 34 -1.755 -5.700 -11.124 1.00 0.00 C ATOM 521 CD2 LEU A 34 -3.232 -5.208 -13.073 1.00 0.00 C ATOM 0 H LEU A 34 -5.755 -5.303 -10.831 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.345 -7.149 -12.957 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.957 -7.127 -10.274 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.361 -7.774 -11.789 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.736 -4.893 -11.047 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.263 -4.750 -11.333 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.746 -5.885 -10.050 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.224 -6.504 -11.635 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.684 -4.272 -13.186 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.772 -5.975 -13.696 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.267 -5.062 -13.382 1.00 0.00 H new ATOM 533 N ARG A 35 -6.584 -8.317 -10.088 1.00 0.00 N ATOM 534 CA ARG A 35 -7.398 -9.397 -9.503 1.00 0.00 C ATOM 535 C ARG A 35 -8.704 -9.651 -10.271 1.00 0.00 C ATOM 536 O ARG A 35 -9.152 -10.792 -10.316 1.00 0.00 O ATOM 537 CB ARG A 35 -7.660 -9.105 -8.017 1.00 0.00 C ATOM 538 CG ARG A 35 -6.420 -9.385 -7.151 1.00 0.00 C ATOM 539 CD ARG A 35 -6.553 -8.723 -5.774 1.00 0.00 C ATOM 540 NE ARG A 35 -5.552 -9.232 -4.817 1.00 0.00 N ATOM 541 CZ ARG A 35 -5.689 -10.229 -3.950 1.00 0.00 C ATOM 542 NH1 ARG A 35 -6.804 -10.912 -3.830 1.00 0.00 N ATOM 543 NH2 ARG A 35 -4.679 -10.563 -3.185 1.00 0.00 N ATOM 0 H ARG A 35 -6.459 -7.524 -9.459 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.827 -10.321 -9.588 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.958 -8.063 -7.899 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.492 -9.716 -7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.291 -10.461 -7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.528 -9.011 -7.654 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.439 -7.644 -5.878 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.554 -8.902 -5.381 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.647 -8.762 -4.822 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.607 -10.684 -4.416 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.867 -11.671 -3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.795 -10.059 -3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.776 -11.327 -2.517 1.00 0.00 H new ATOM 557 N GLN A 36 -9.274 -8.637 -10.936 1.00 0.00 N ATOM 558 CA GLN A 36 -10.338 -8.806 -11.939 1.00 0.00 C ATOM 559 C GLN A 36 -9.854 -9.416 -13.274 1.00 0.00 C ATOM 560 O GLN A 36 -10.677 -9.677 -14.147 1.00 0.00 O ATOM 561 CB GLN A 36 -11.043 -7.461 -12.211 1.00 0.00 C ATOM 562 CG GLN A 36 -11.910 -6.980 -11.043 1.00 0.00 C ATOM 563 CD GLN A 36 -12.697 -5.726 -11.423 1.00 0.00 C ATOM 564 OE1 GLN A 36 -12.153 -4.641 -11.595 1.00 0.00 O ATOM 565 NE2 GLN A 36 -14.005 -5.823 -11.560 1.00 0.00 N ATOM 0 H GLN A 36 -9.007 -7.663 -10.792 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.037 -9.521 -11.506 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.291 -6.703 -12.431 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.666 -7.559 -13.100 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.600 -7.771 -10.748 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.279 -6.769 -10.180 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.467 -6.721 -11.419 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.554 -5.000 -11.807 1.00 0.00 H new ATOM 574 N GLY A 37 -8.544 -9.624 -13.473 1.00 0.00 N ATOM 575 CA GLY A 37 -7.955 -10.246 -14.666 1.00 0.00 C ATOM 576 C GLY A 37 -7.969 -9.384 -15.935 1.00 0.00 C ATOM 577 O GLY A 37 -7.484 -9.828 -16.972 1.00 0.00 O ATOM 0 H GLY A 37 -7.842 -9.354 -12.784 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.923 -10.515 -14.442 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.489 -11.174 -14.872 1.00 0.00 H new ATOM 581 N LYS A 38 -8.534 -8.170 -15.868 1.00 0.00 N ATOM 582 CA LYS A 38 -8.933 -7.356 -17.026 1.00 0.00 C ATOM 583 C LYS A 38 -7.816 -6.461 -17.587 1.00 0.00 C ATOM 584 O LYS A 38 -7.980 -5.867 -18.648 1.00 0.00 O ATOM 585 CB LYS A 38 -10.207 -6.586 -16.632 1.00 0.00 C ATOM 586 CG LYS A 38 -11.000 -5.995 -17.814 1.00 0.00 C ATOM 587 CD LYS A 38 -12.356 -5.453 -17.333 1.00 0.00 C ATOM 588 CE LYS A 38 -13.162 -4.809 -18.470 1.00 0.00 C ATOM 589 NZ LYS A 38 -12.714 -3.429 -18.768 1.00 0.00 N ATOM 0 H LYS A 38 -8.732 -7.713 -14.978 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.145 -8.013 -17.869 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.861 -7.256 -16.074 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.930 -5.776 -15.958 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.426 -5.194 -18.281 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.156 -6.760 -18.574 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.935 -6.266 -16.895 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.192 -4.718 -16.545 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.070 -5.420 -19.368 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.218 -4.795 -18.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.265 -3.049 -19.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.857 -2.829 -17.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.705 -3.438 -19.019 1.00 0.00 H new ATOM 603 N SER A 39 -6.671 -6.380 -16.907 1.00 0.00 N ATOM 604 CA SER A 39 -5.462 -5.720 -17.407 1.00 0.00 C ATOM 605 C SER A 39 -4.821 -6.461 -18.580 1.00 0.00 C ATOM 606 O SER A 39 -5.037 -7.659 -18.775 1.00 0.00 O ATOM 607 CB SER A 39 -4.446 -5.621 -16.271 1.00 0.00 C ATOM 608 OG SER A 39 -4.113 -6.904 -15.775 1.00 0.00 O ATOM 0 H SER A 39 -6.555 -6.779 -15.975 1.00 0.00 H new ATOM 0 HA SER A 39 -5.756 -4.734 -17.767 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.546 -5.120 -16.626 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.854 -5.010 -15.466 1.00 0.00 H new ATOM 0 HG SER A 39 -3.393 -7.288 -16.317 1.00 0.00 H new ATOM 614 N LYS A 40 -3.938 -5.771 -19.310 1.00 0.00 N ATOM 615 CA LYS A 40 -2.960 -6.413 -20.197 1.00 0.00 C ATOM 616 C LYS A 40 -1.558 -5.787 -20.166 1.00 0.00 C ATOM 617 O LYS A 40 -0.605 -6.441 -20.585 1.00 0.00 O ATOM 618 CB LYS A 40 -3.579 -6.490 -21.599 1.00 0.00 C ATOM 619 CG LYS A 40 -2.943 -7.516 -22.557 1.00 0.00 C ATOM 620 CD LYS A 40 -2.846 -8.958 -22.034 1.00 0.00 C ATOM 621 CE LYS A 40 -4.187 -9.582 -21.608 1.00 0.00 C ATOM 622 NZ LYS A 40 -4.247 -9.862 -20.152 1.00 0.00 N ATOM 0 H LYS A 40 -3.881 -4.753 -19.303 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.762 -7.420 -19.830 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.638 -6.726 -21.496 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.515 -5.504 -22.059 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.519 -7.524 -23.482 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.939 -7.174 -22.809 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.401 -9.582 -22.810 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.166 -8.976 -21.182 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.000 -8.908 -21.879 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.344 -10.509 -22.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.917 -10.638 -19.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.303 -10.135 -19.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.564 -9.010 -19.647 1.00 0.00 H new ATOM 636 N LEU A 41 -1.394 -4.600 -19.570 1.00 0.00 N ATOM 637 CA LEU A 41 -0.101 -3.956 -19.299 1.00 0.00 C ATOM 638 C LEU A 41 -0.155 -3.285 -17.907 1.00 0.00 C ATOM 639 O LEU A 41 -1.143 -2.613 -17.604 1.00 0.00 O ATOM 640 CB LEU A 41 0.169 -3.022 -20.503 1.00 0.00 C ATOM 641 CG LEU A 41 1.204 -1.882 -20.451 1.00 0.00 C ATOM 642 CD1 LEU A 41 0.810 -0.805 -19.448 1.00 0.00 C ATOM 643 CD2 LEU A 41 2.652 -2.307 -20.217 1.00 0.00 C ATOM 0 H LEU A 41 -2.185 -4.041 -19.251 1.00 0.00 H new ATOM 0 HA LEU A 41 0.744 -4.640 -19.228 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.453 -3.663 -21.337 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.786 -2.565 -20.763 1.00 0.00 H new ATOM 0 HG LEU A 41 1.181 -1.477 -21.463 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.566 -0.020 -19.442 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.153 -0.380 -19.730 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.735 -1.244 -18.453 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.292 -1.425 -20.199 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.728 -2.830 -19.264 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.971 -2.970 -21.021 1.00 0.00 H new ATOM 655 N ILE A 42 0.881 -3.445 -17.065 1.00 0.00 N ATOM 656 CA ILE A 42 1.073 -2.655 -15.835 1.00 0.00 C ATOM 657 C ILE A 42 2.346 -1.807 -15.898 1.00 0.00 C ATOM 658 O ILE A 42 3.347 -2.215 -16.490 1.00 0.00 O ATOM 659 CB ILE A 42 1.058 -3.498 -14.537 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.293 -4.397 -14.320 1.00 0.00 C ATOM 661 CG2 ILE A 42 -0.209 -4.346 -14.376 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.374 -4.880 -12.872 1.00 0.00 C ATOM 0 H ILE A 42 1.617 -4.134 -17.221 1.00 0.00 H new ATOM 0 HA ILE A 42 0.206 -1.995 -15.789 1.00 0.00 H new ATOM 0 HB ILE A 42 1.079 -2.729 -13.765 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.245 -5.255 -14.991 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.198 -3.845 -14.574 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.153 -4.911 -13.446 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.082 -3.694 -14.353 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.294 -5.036 -15.215 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.254 -5.511 -12.748 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.447 -4.021 -12.205 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.479 -5.453 -12.629 1.00 0.00 H new ATOM 674 N ILE A 43 2.313 -0.656 -15.218 1.00 0.00 N ATOM 675 CA ILE A 43 3.413 0.299 -15.096 1.00 0.00 C ATOM 676 C ILE A 43 3.719 0.550 -13.626 1.00 0.00 C ATOM 677 O ILE A 43 2.805 0.814 -12.840 1.00 0.00 O ATOM 678 CB ILE A 43 3.054 1.658 -15.730 1.00 0.00 C ATOM 679 CG1 ILE A 43 2.514 1.588 -17.171 1.00 0.00 C ATOM 680 CG2 ILE A 43 4.275 2.586 -15.689 1.00 0.00 C ATOM 681 CD1 ILE A 43 3.475 0.932 -18.164 1.00 0.00 C ATOM 0 H ILE A 43 1.479 -0.353 -14.715 1.00 0.00 H new ATOM 0 HA ILE A 43 4.272 -0.131 -15.612 1.00 0.00 H new ATOM 0 HB ILE A 43 2.233 2.048 -15.128 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.575 1.034 -17.170 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.288 2.598 -17.513 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.018 3.545 -16.138 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.581 2.740 -14.654 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.095 2.133 -16.246 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.022 0.921 -19.155 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.406 1.497 -18.197 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.682 -0.090 -17.848 1.00 0.00 H new ATOM 693 N ILE A 44 5.009 0.576 -13.284 1.00 0.00 N ATOM 694 CA ILE A 44 5.480 1.039 -11.976 1.00 0.00 C ATOM 695 C ILE A 44 6.492 2.185 -12.164 1.00 0.00 C ATOM 696 O ILE A 44 7.675 1.950 -12.409 1.00 0.00 O ATOM 697 CB ILE A 44 5.979 -0.157 -11.127 1.00 0.00 C ATOM 698 CG1 ILE A 44 4.908 -1.272 -10.961 1.00 0.00 C ATOM 699 CG2 ILE A 44 6.365 0.291 -9.716 1.00 0.00 C ATOM 700 CD1 ILE A 44 5.294 -2.551 -11.691 1.00 0.00 C ATOM 0 H ILE A 44 5.758 0.276 -13.907 1.00 0.00 H new ATOM 0 HA ILE A 44 4.662 1.467 -11.396 1.00 0.00 H new ATOM 0 HB ILE A 44 6.837 -0.551 -11.671 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.771 -1.487 -9.901 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.951 -0.914 -11.340 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.711 -0.569 -9.143 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.162 1.032 -9.775 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.497 0.729 -9.223 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.516 -3.301 -11.547 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.405 -2.343 -12.755 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.238 -2.926 -11.294 1.00 0.00 H new ATOM 712 N ALA A 45 5.998 3.428 -12.051 1.00 0.00 N ATOM 713 CA ALA A 45 6.720 4.707 -11.973 1.00 0.00 C ATOM 714 C ALA A 45 6.478 5.389 -10.608 1.00 0.00 C ATOM 715 O ALA A 45 6.102 6.561 -10.510 1.00 0.00 O ATOM 716 CB ALA A 45 6.324 5.617 -13.145 1.00 0.00 C ATOM 0 H ALA A 45 4.990 3.576 -12.008 1.00 0.00 H new ATOM 0 HA ALA A 45 7.790 4.513 -12.053 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.867 6.560 -13.073 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.572 5.126 -14.086 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.252 5.812 -13.108 1.00 0.00 H new ATOM 722 N ALA A 46 6.672 4.616 -9.536 1.00 0.00 N ATOM 723 CA ALA A 46 6.449 5.017 -8.152 1.00 0.00 C ATOM 724 C ALA A 46 7.580 4.506 -7.246 1.00 0.00 C ATOM 725 O ALA A 46 8.359 3.640 -7.643 1.00 0.00 O ATOM 726 CB ALA A 46 5.083 4.462 -7.721 1.00 0.00 C ATOM 0 H ALA A 46 7.003 3.654 -9.617 1.00 0.00 H new ATOM 0 HA ALA A 46 6.449 6.103 -8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.885 4.745 -6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.304 4.871 -8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.089 3.375 -7.805 1.00 0.00 H new ATOM 732 N ASN A 47 7.633 4.983 -5.998 1.00 0.00 N ATOM 733 CA ASN A 47 8.596 4.600 -4.949 1.00 0.00 C ATOM 734 C ASN A 47 8.466 3.136 -4.447 1.00 0.00 C ATOM 735 O ASN A 47 8.861 2.826 -3.323 1.00 0.00 O ATOM 736 CB ASN A 47 8.438 5.614 -3.805 1.00 0.00 C ATOM 737 CG ASN A 47 7.053 5.547 -3.181 1.00 0.00 C ATOM 738 OD1 ASN A 47 6.142 6.252 -3.589 1.00 0.00 O ATOM 739 ND2 ASN A 47 6.850 4.656 -2.233 1.00 0.00 N ATOM 0 H ASN A 47 6.970 5.686 -5.670 1.00 0.00 H new ATOM 0 HA ASN A 47 9.599 4.628 -5.375 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.191 5.421 -3.041 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.618 6.620 -4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.921 4.546 -1.827 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.622 4.076 -1.905 1.00 0.00 H new ATOM 746 N THR A 48 7.855 2.260 -5.247 1.00 0.00 N ATOM 747 CA THR A 48 7.468 0.875 -4.984 1.00 0.00 C ATOM 748 C THR A 48 8.669 -0.028 -4.634 1.00 0.00 C ATOM 749 O THR A 48 9.508 -0.262 -5.509 1.00 0.00 O ATOM 750 CB THR A 48 6.742 0.334 -6.224 1.00 0.00 C ATOM 751 OG1 THR A 48 5.659 1.178 -6.535 1.00 0.00 O ATOM 752 CG2 THR A 48 6.150 -1.049 -5.998 1.00 0.00 C ATOM 0 H THR A 48 7.592 2.534 -6.194 1.00 0.00 H new ATOM 0 HA THR A 48 6.814 0.864 -4.112 1.00 0.00 H new ATOM 0 HB THR A 48 7.485 0.288 -7.020 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.019 0.695 -7.099 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.649 -1.383 -6.906 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.946 -1.749 -5.745 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.430 -1.008 -5.181 1.00 0.00 H new ATOM 760 N PRO A 49 8.748 -0.555 -3.389 1.00 0.00 N ATOM 761 CA PRO A 49 9.745 -1.545 -2.954 1.00 0.00 C ATOM 762 C PRO A 49 9.729 -2.876 -3.729 1.00 0.00 C ATOM 763 O PRO A 49 8.758 -3.214 -4.401 1.00 0.00 O ATOM 764 CB PRO A 49 9.432 -1.825 -1.478 1.00 0.00 C ATOM 765 CG PRO A 49 8.661 -0.596 -1.014 1.00 0.00 C ATOM 766 CD PRO A 49 7.916 -0.158 -2.261 1.00 0.00 C ATOM 0 HA PRO A 49 10.736 -1.130 -3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.839 -2.733 -1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.344 -1.964 -0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.977 -0.835 -0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.330 0.184 -0.650 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.935 -0.630 -2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.751 0.919 -2.258 1.00 0.00 H new ATOM 774 N VAL A 50 10.774 -3.693 -3.537 1.00 0.00 N ATOM 775 CA VAL A 50 10.970 -4.987 -4.219 1.00 0.00 C ATOM 776 C VAL A 50 9.837 -5.991 -3.949 1.00 0.00 C ATOM 777 O VAL A 50 9.364 -6.646 -4.877 1.00 0.00 O ATOM 778 CB VAL A 50 12.341 -5.601 -3.852 1.00 0.00 C ATOM 779 CG1 VAL A 50 12.595 -6.924 -4.591 1.00 0.00 C ATOM 780 CG2 VAL A 50 13.493 -4.646 -4.204 1.00 0.00 C ATOM 0 H VAL A 50 11.528 -3.470 -2.887 1.00 0.00 H new ATOM 0 HA VAL A 50 10.949 -4.775 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 50 12.309 -5.779 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.569 -7.320 -4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.819 -7.643 -4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.578 -6.749 -5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.443 -5.107 -3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.481 -4.440 -5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.373 -3.713 -3.654 1.00 0.00 H new ATOM 790 N LEU A 51 9.372 -6.129 -2.702 1.00 0.00 N ATOM 791 CA LEU A 51 8.251 -7.023 -2.369 1.00 0.00 C ATOM 792 C LEU A 51 6.932 -6.504 -2.972 1.00 0.00 C ATOM 793 O LEU A 51 6.131 -7.271 -3.500 1.00 0.00 O ATOM 794 CB LEU A 51 8.122 -7.172 -0.839 1.00 0.00 C ATOM 795 CG LEU A 51 9.196 -8.007 -0.108 1.00 0.00 C ATOM 796 CD1 LEU A 51 9.303 -9.433 -0.655 1.00 0.00 C ATOM 797 CD2 LEU A 51 10.588 -7.368 -0.105 1.00 0.00 C ATOM 0 H LEU A 51 9.756 -5.630 -1.900 1.00 0.00 H new ATOM 0 HA LEU A 51 8.457 -8.002 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.119 -6.173 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.149 -7.615 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 51 8.844 -8.040 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.072 -9.976 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.346 -9.941 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.567 -9.398 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.285 -8.016 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.929 -7.234 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.542 -6.399 0.391 1.00 0.00 H new ATOM 809 N ARG A 52 6.739 -5.182 -2.924 1.00 0.00 N ATOM 810 CA ARG A 52 5.583 -4.448 -3.442 1.00 0.00 C ATOM 811 C ARG A 52 5.479 -4.580 -4.972 1.00 0.00 C ATOM 812 O ARG A 52 4.422 -4.955 -5.486 1.00 0.00 O ATOM 813 CB ARG A 52 5.715 -3.005 -2.920 1.00 0.00 C ATOM 814 CG ARG A 52 4.405 -2.220 -2.803 1.00 0.00 C ATOM 815 CD ARG A 52 3.608 -2.477 -1.512 1.00 0.00 C ATOM 816 NE ARG A 52 3.013 -3.825 -1.452 1.00 0.00 N ATOM 817 CZ ARG A 52 2.933 -4.656 -0.419 1.00 0.00 C ATOM 818 NH1 ARG A 52 3.487 -4.382 0.741 1.00 0.00 N ATOM 819 NH2 ARG A 52 2.283 -5.788 -0.521 1.00 0.00 N ATOM 0 H ARG A 52 7.426 -4.561 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 52 4.637 -4.858 -3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.188 -3.035 -1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.387 -2.459 -3.582 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.629 -1.155 -2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.774 -2.466 -3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.266 -2.339 -0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.815 -1.734 -1.429 1.00 0.00 H new ATOM 0 HE ARG A 52 2.607 -4.166 -2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.998 -3.508 0.869 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.406 -5.043 1.514 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.832 -6.039 -1.400 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.228 -6.418 0.279 1.00 0.00 H new ATOM 833 N LYS A 53 6.587 -4.369 -5.703 1.00 0.00 N ATOM 834 CA LYS A 53 6.646 -4.652 -7.144 1.00 0.00 C ATOM 835 C LYS A 53 6.428 -6.136 -7.415 1.00 0.00 C ATOM 836 O LYS A 53 5.653 -6.458 -8.305 1.00 0.00 O ATOM 837 CB LYS A 53 7.896 -4.064 -7.838 1.00 0.00 C ATOM 838 CG LYS A 53 9.245 -4.800 -7.729 1.00 0.00 C ATOM 839 CD LYS A 53 9.470 -5.971 -8.698 1.00 0.00 C ATOM 840 CE LYS A 53 10.537 -6.960 -8.232 1.00 0.00 C ATOM 841 NZ LYS A 53 10.770 -7.991 -9.269 1.00 0.00 N ATOM 0 H LYS A 53 7.456 -4.002 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 53 5.817 -4.121 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.664 -3.965 -8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.042 -3.057 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.043 -4.073 -7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.347 -5.176 -6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.529 -6.504 -8.834 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.756 -5.575 -9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.466 -6.430 -8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.222 -7.434 -7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.702 -8.427 -9.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.032 -8.721 -9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.740 -7.550 -10.210 1.00 0.00 H new ATOM 855 N SER A 54 7.039 -7.027 -6.621 1.00 0.00 N ATOM 856 CA SER A 54 6.877 -8.481 -6.767 1.00 0.00 C ATOM 857 C SER A 54 5.413 -8.914 -6.650 1.00 0.00 C ATOM 858 O SER A 54 4.986 -9.784 -7.399 1.00 0.00 O ATOM 859 CB SER A 54 7.730 -9.265 -5.763 1.00 0.00 C ATOM 860 OG SER A 54 9.096 -8.924 -5.883 1.00 0.00 O ATOM 0 H SER A 54 7.661 -6.759 -5.858 1.00 0.00 H new ATOM 0 HA SER A 54 7.227 -8.717 -7.772 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.387 -9.057 -4.749 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.603 -10.335 -5.930 1.00 0.00 H new ATOM 0 HG SER A 54 9.328 -8.259 -5.201 1.00 0.00 H new ATOM 866 N GLU A 55 4.619 -8.294 -5.768 1.00 0.00 N ATOM 867 CA GLU A 55 3.172 -8.532 -5.695 1.00 0.00 C ATOM 868 C GLU A 55 2.441 -8.060 -6.972 1.00 0.00 C ATOM 869 O GLU A 55 1.637 -8.812 -7.524 1.00 0.00 O ATOM 870 CB GLU A 55 2.602 -7.827 -4.451 1.00 0.00 C ATOM 871 CG GLU A 55 1.260 -8.431 -4.000 1.00 0.00 C ATOM 872 CD GLU A 55 0.383 -7.490 -3.154 1.00 0.00 C ATOM 873 OE1 GLU A 55 0.874 -6.426 -2.695 1.00 0.00 O ATOM 874 OE2 GLU A 55 -0.815 -7.818 -2.995 1.00 0.00 O ATOM 0 H GLU A 55 4.960 -7.615 -5.087 1.00 0.00 H new ATOM 0 HA GLU A 55 3.007 -9.607 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.322 -7.897 -3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.467 -6.767 -4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.698 -8.733 -4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.459 -9.335 -3.425 1.00 0.00 H new ATOM 881 N LEU A 56 2.723 -6.847 -7.478 1.00 0.00 N ATOM 882 CA LEU A 56 2.142 -6.374 -8.754 1.00 0.00 C ATOM 883 C LEU A 56 2.491 -7.277 -9.933 1.00 0.00 C ATOM 884 O LEU A 56 1.642 -7.632 -10.748 1.00 0.00 O ATOM 885 CB LEU A 56 2.564 -4.932 -9.058 1.00 0.00 C ATOM 886 CG LEU A 56 2.000 -3.881 -8.090 1.00 0.00 C ATOM 887 CD1 LEU A 56 1.738 -2.599 -8.866 1.00 0.00 C ATOM 888 CD2 LEU A 56 0.669 -4.274 -7.450 1.00 0.00 C ATOM 0 H LEU A 56 3.346 -6.176 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 56 1.060 -6.409 -8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.652 -4.875 -9.041 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.247 -4.681 -10.070 1.00 0.00 H new ATOM 0 HG LEU A 56 2.742 -3.773 -7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.337 -1.842 -8.193 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.671 -2.240 -9.301 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.019 -2.795 -9.661 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.339 -3.480 -6.781 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.078 -4.427 -8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.796 -5.196 -6.883 1.00 0.00 H new ATOM 900 N GLU A 57 3.758 -7.649 -9.984 1.00 0.00 N ATOM 901 CA GLU A 57 4.378 -8.579 -10.924 1.00 0.00 C ATOM 902 C GLU A 57 3.740 -9.979 -10.839 1.00 0.00 C ATOM 903 O GLU A 57 3.451 -10.585 -11.871 1.00 0.00 O ATOM 904 CB GLU A 57 5.877 -8.545 -10.601 1.00 0.00 C ATOM 905 CG GLU A 57 6.860 -9.220 -11.550 1.00 0.00 C ATOM 906 CD GLU A 57 8.265 -8.793 -11.111 1.00 0.00 C ATOM 907 OE1 GLU A 57 8.696 -7.665 -11.465 1.00 0.00 O ATOM 908 OE2 GLU A 57 8.887 -9.518 -10.302 1.00 0.00 O ATOM 0 H GLU A 57 4.438 -7.282 -9.318 1.00 0.00 H new ATOM 0 HA GLU A 57 4.219 -8.294 -11.964 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.170 -7.499 -10.516 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.010 -8.995 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.755 -10.304 -11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.670 -8.921 -12.581 1.00 0.00 H new ATOM 915 N TYR A 58 3.421 -10.457 -9.627 1.00 0.00 N ATOM 916 CA TYR A 58 2.614 -11.655 -9.389 1.00 0.00 C ATOM 917 C TYR A 58 1.200 -11.516 -9.969 1.00 0.00 C ATOM 918 O TYR A 58 0.751 -12.397 -10.704 1.00 0.00 O ATOM 919 CB TYR A 58 2.572 -11.971 -7.886 1.00 0.00 C ATOM 920 CG TYR A 58 2.097 -13.367 -7.556 1.00 0.00 C ATOM 921 CD1 TYR A 58 0.728 -13.636 -7.361 1.00 0.00 C ATOM 922 CD2 TYR A 58 3.046 -14.394 -7.415 1.00 0.00 C ATOM 923 CE1 TYR A 58 0.309 -14.939 -7.028 1.00 0.00 C ATOM 924 CE2 TYR A 58 2.631 -15.702 -7.104 1.00 0.00 C ATOM 925 CZ TYR A 58 1.260 -15.977 -6.912 1.00 0.00 C ATOM 926 OH TYR A 58 0.866 -17.242 -6.604 1.00 0.00 O ATOM 0 H TYR A 58 3.727 -10.006 -8.765 1.00 0.00 H new ATOM 0 HA TYR A 58 3.086 -12.489 -9.908 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.570 -11.832 -7.470 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.918 -11.252 -7.394 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.001 -12.844 -7.467 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.096 -14.179 -7.546 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.738 -15.144 -6.862 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.360 -16.494 -7.012 1.00 0.00 H new ATOM 0 HH TYR A 58 1.650 -17.829 -6.566 1.00 0.00 H new ATOM 936 N TYR A 59 0.485 -10.417 -9.688 1.00 0.00 N ATOM 937 CA TYR A 59 -0.834 -10.202 -10.291 1.00 0.00 C ATOM 938 C TYR A 59 -0.774 -10.066 -11.818 1.00 0.00 C ATOM 939 O TYR A 59 -1.667 -10.567 -12.500 1.00 0.00 O ATOM 940 CB TYR A 59 -1.543 -8.984 -9.703 1.00 0.00 C ATOM 941 CG TYR A 59 -1.794 -9.015 -8.212 1.00 0.00 C ATOM 942 CD1 TYR A 59 -2.499 -10.088 -7.632 1.00 0.00 C ATOM 943 CD2 TYR A 59 -1.354 -7.946 -7.412 1.00 0.00 C ATOM 944 CE1 TYR A 59 -2.736 -10.106 -6.247 1.00 0.00 C ATOM 945 CE2 TYR A 59 -1.592 -7.961 -6.028 1.00 0.00 C ATOM 946 CZ TYR A 59 -2.276 -9.044 -5.439 1.00 0.00 C ATOM 947 OH TYR A 59 -2.528 -9.044 -4.100 1.00 0.00 O ATOM 0 H TYR A 59 0.793 -9.676 -9.058 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.408 -11.097 -10.050 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.951 -8.098 -9.933 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.501 -8.867 -10.210 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.857 -10.897 -8.252 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.833 -7.114 -7.862 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.270 -10.932 -5.801 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.250 -7.141 -5.414 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.154 -8.233 -3.697 1.00 0.00 H new ATOM 957 N ALA A 60 0.262 -9.429 -12.375 1.00 0.00 N ATOM 958 CA ALA A 60 0.523 -9.410 -13.811 1.00 0.00 C ATOM 959 C ALA A 60 0.749 -10.821 -14.386 1.00 0.00 C ATOM 960 O ALA A 60 0.174 -11.154 -15.423 1.00 0.00 O ATOM 961 CB ALA A 60 1.709 -8.491 -14.087 1.00 0.00 C ATOM 0 H ALA A 60 0.949 -8.907 -11.831 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.360 -9.023 -14.320 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.912 -8.470 -15.158 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.477 -7.483 -13.742 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.587 -8.862 -13.559 1.00 0.00 H new ATOM 967 N MET A 61 1.535 -11.664 -13.702 1.00 0.00 N ATOM 968 CA MET A 61 1.714 -13.087 -14.021 1.00 0.00 C ATOM 969 C MET A 61 0.385 -13.859 -13.997 1.00 0.00 C ATOM 970 O MET A 61 0.122 -14.638 -14.917 1.00 0.00 O ATOM 971 CB MET A 61 2.783 -13.683 -13.081 1.00 0.00 C ATOM 972 CG MET A 61 2.993 -15.202 -13.200 1.00 0.00 C ATOM 973 SD MET A 61 1.743 -16.285 -12.434 1.00 0.00 S ATOM 974 CE MET A 61 1.913 -15.853 -10.679 1.00 0.00 C ATOM 0 H MET A 61 2.078 -11.367 -12.891 1.00 0.00 H new ATOM 0 HA MET A 61 2.072 -13.185 -15.046 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.733 -13.186 -13.277 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.508 -13.451 -12.052 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.051 -15.452 -14.259 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.961 -15.443 -12.762 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.386 -16.588 -10.071 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.968 -15.846 -10.407 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.487 -14.865 -10.504 1.00 0.00 H new ATOM 984 N LEU A 62 -0.476 -13.637 -12.992 1.00 0.00 N ATOM 985 CA LEU A 62 -1.827 -14.211 -12.950 1.00 0.00 C ATOM 986 C LEU A 62 -2.678 -13.733 -14.141 1.00 0.00 C ATOM 987 O LEU A 62 -3.109 -14.544 -14.963 1.00 0.00 O ATOM 988 CB LEU A 62 -2.530 -13.876 -11.618 1.00 0.00 C ATOM 989 CG LEU A 62 -1.949 -14.536 -10.353 1.00 0.00 C ATOM 990 CD1 LEU A 62 -2.756 -14.045 -9.149 1.00 0.00 C ATOM 991 CD2 LEU A 62 -2.028 -16.064 -10.387 1.00 0.00 C ATOM 0 H LEU A 62 -0.254 -13.054 -12.185 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.723 -15.294 -13.022 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.506 -12.795 -11.481 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.578 -14.163 -11.703 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.896 -14.262 -10.291 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.364 -14.499 -8.239 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.678 -12.960 -9.077 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.802 -14.326 -9.273 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.603 -16.471 -9.469 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.070 -16.373 -10.473 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.467 -16.438 -11.243 1.00 0.00 H new ATOM 1003 N SER A 63 -2.904 -12.422 -14.236 1.00 0.00 N ATOM 1004 CA SER A 63 -3.783 -11.719 -15.179 1.00 0.00 C ATOM 1005 C SER A 63 -3.208 -11.593 -16.603 1.00 0.00 C ATOM 1006 O SER A 63 -3.337 -10.532 -17.225 1.00 0.00 O ATOM 1007 CB SER A 63 -4.114 -10.332 -14.595 1.00 0.00 C ATOM 1008 OG SER A 63 -2.952 -9.546 -14.413 1.00 0.00 O ATOM 0 H SER A 63 -2.440 -11.769 -13.605 1.00 0.00 H new ATOM 0 HA SER A 63 -4.686 -12.319 -15.295 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.803 -9.813 -15.261 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.624 -10.453 -13.639 1.00 0.00 H new ATOM 0 HG SER A 63 -2.613 -9.669 -13.502 1.00 0.00 H new ATOM 1014 N LYS A 64 -2.607 -12.659 -17.164 1.00 0.00 N ATOM 1015 CA LYS A 64 -1.340 -12.608 -17.931 1.00 0.00 C ATOM 1016 C LYS A 64 -1.164 -11.288 -18.697 1.00 0.00 C ATOM 1017 O LYS A 64 -1.794 -11.042 -19.725 1.00 0.00 O ATOM 1018 CB LYS A 64 -1.226 -13.791 -18.917 1.00 0.00 C ATOM 1019 CG LYS A 64 -0.912 -15.146 -18.264 1.00 0.00 C ATOM 1020 CD LYS A 64 -2.163 -15.966 -17.916 1.00 0.00 C ATOM 1021 CE LYS A 64 -1.819 -17.143 -16.994 1.00 0.00 C ATOM 1022 NZ LYS A 64 -1.530 -16.683 -15.617 1.00 0.00 N ATOM 0 H LYS A 64 -2.993 -13.601 -17.098 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.543 -12.678 -17.190 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.162 -13.878 -19.468 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.447 -13.565 -19.645 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.283 -15.727 -18.938 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.334 -14.977 -17.355 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.898 -15.324 -17.431 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.622 -16.340 -18.831 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.650 -17.849 -16.977 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.955 -17.677 -17.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.384 -17.507 -14.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.671 -16.096 -15.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.331 -16.122 -15.263 1.00 0.00 H new ATOM 1036 N THR A 65 -0.371 -10.409 -18.086 1.00 0.00 N ATOM 1037 CA THR A 65 -0.254 -8.966 -18.322 1.00 0.00 C ATOM 1038 C THR A 65 1.228 -8.574 -18.400 1.00 0.00 C ATOM 1039 O THR A 65 2.051 -9.111 -17.658 1.00 0.00 O ATOM 1040 CB THR A 65 -0.985 -8.248 -17.166 1.00 0.00 C ATOM 1041 OG1 THR A 65 -2.380 -8.200 -17.391 1.00 0.00 O ATOM 1042 CG2 THR A 65 -0.521 -6.827 -16.875 1.00 0.00 C ATOM 0 H THR A 65 0.263 -10.713 -17.347 1.00 0.00 H new ATOM 0 HA THR A 65 -0.709 -8.675 -19.269 1.00 0.00 H new ATOM 0 HB THR A 65 -0.732 -8.857 -16.298 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.804 -8.984 -16.984 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.100 -6.418 -16.047 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.536 -6.837 -16.609 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.667 -6.208 -17.760 1.00 0.00 H new ATOM 1050 N LYS A 66 1.584 -7.623 -19.276 1.00 0.00 N ATOM 1051 CA LYS A 66 2.964 -7.169 -19.462 1.00 0.00 C ATOM 1052 C LYS A 66 3.367 -6.188 -18.355 1.00 0.00 C ATOM 1053 O LYS A 66 2.783 -5.117 -18.231 1.00 0.00 O ATOM 1054 CB LYS A 66 3.117 -6.542 -20.862 1.00 0.00 C ATOM 1055 CG LYS A 66 4.531 -6.008 -21.165 1.00 0.00 C ATOM 1056 CD LYS A 66 5.629 -7.075 -20.985 1.00 0.00 C ATOM 1057 CE LYS A 66 7.017 -6.603 -21.430 1.00 0.00 C ATOM 1058 NZ LYS A 66 7.444 -5.375 -20.727 1.00 0.00 N ATOM 0 H LYS A 66 0.914 -7.145 -19.879 1.00 0.00 H new ATOM 0 HA LYS A 66 3.637 -8.024 -19.393 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.854 -7.288 -21.612 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.403 -5.724 -20.961 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.560 -5.633 -22.188 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.742 -5.163 -20.510 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.672 -7.367 -19.936 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.357 -7.965 -21.553 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.743 -7.395 -21.247 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.009 -6.420 -22.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.479 -5.289 -20.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.006 -4.547 -21.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.147 -5.424 -19.731 1.00 0.00 H new ATOM 1072 N VAL A 67 4.377 -6.542 -17.561 1.00 0.00 N ATOM 1073 CA VAL A 67 5.007 -5.626 -16.601 1.00 0.00 C ATOM 1074 C VAL A 67 5.998 -4.709 -17.317 1.00 0.00 C ATOM 1075 O VAL A 67 6.854 -5.193 -18.062 1.00 0.00 O ATOM 1076 CB VAL A 67 5.742 -6.400 -15.490 1.00 0.00 C ATOM 1077 CG1 VAL A 67 6.267 -5.453 -14.404 1.00 0.00 C ATOM 1078 CG2 VAL A 67 4.813 -7.408 -14.812 1.00 0.00 C ATOM 0 H VAL A 67 4.786 -7.476 -17.563 1.00 0.00 H new ATOM 0 HA VAL A 67 4.217 -5.029 -16.146 1.00 0.00 H new ATOM 0 HB VAL A 67 6.573 -6.916 -15.972 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.780 -6.030 -13.635 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.962 -4.740 -14.848 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.432 -4.914 -13.956 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.359 -7.939 -14.033 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.967 -6.882 -14.369 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.449 -8.122 -15.551 1.00 0.00 H new ATOM 1088 N TYR A 68 5.923 -3.401 -17.057 1.00 0.00 N ATOM 1089 CA TYR A 68 6.938 -2.432 -17.458 1.00 0.00 C ATOM 1090 C TYR A 68 7.392 -1.543 -16.287 1.00 0.00 C ATOM 1091 O TYR A 68 6.594 -0.864 -15.632 1.00 0.00 O ATOM 1092 CB TYR A 68 6.412 -1.616 -18.635 1.00 0.00 C ATOM 1093 CG TYR A 68 7.457 -0.678 -19.199 1.00 0.00 C ATOM 1094 CD1 TYR A 68 8.377 -1.130 -20.163 1.00 0.00 C ATOM 1095 CD2 TYR A 68 7.549 0.630 -18.701 1.00 0.00 C ATOM 1096 CE1 TYR A 68 9.375 -0.268 -20.653 1.00 0.00 C ATOM 1097 CE2 TYR A 68 8.558 1.495 -19.170 1.00 0.00 C ATOM 1098 CZ TYR A 68 9.465 1.052 -20.155 1.00 0.00 C ATOM 1099 OH TYR A 68 10.418 1.902 -20.625 1.00 0.00 O ATOM 0 H TYR A 68 5.141 -2.982 -16.553 1.00 0.00 H new ATOM 0 HA TYR A 68 7.831 -2.970 -17.775 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.073 -2.292 -19.420 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.544 -1.039 -18.315 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.317 -2.144 -20.529 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.846 0.975 -17.957 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.069 -0.613 -21.406 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.637 2.497 -18.775 1.00 0.00 H new ATOM 0 HH TYR A 68 10.335 2.768 -20.174 1.00 0.00 H new ATOM 1109 N TYR A 69 8.704 -1.546 -16.034 1.00 0.00 N ATOM 1110 CA TYR A 69 9.355 -0.725 -15.016 1.00 0.00 C ATOM 1111 C TYR A 69 9.730 0.645 -15.579 1.00 0.00 C ATOM 1112 O TYR A 69 10.648 0.782 -16.384 1.00 0.00 O ATOM 1113 CB TYR A 69 10.546 -1.484 -14.411 1.00 0.00 C ATOM 1114 CG TYR A 69 10.051 -2.571 -13.481 1.00 0.00 C ATOM 1115 CD1 TYR A 69 9.468 -2.188 -12.259 1.00 0.00 C ATOM 1116 CD2 TYR A 69 10.036 -3.925 -13.878 1.00 0.00 C ATOM 1117 CE1 TYR A 69 8.791 -3.135 -11.478 1.00 0.00 C ATOM 1118 CE2 TYR A 69 9.375 -4.879 -13.077 1.00 0.00 C ATOM 1119 CZ TYR A 69 8.700 -4.475 -11.911 1.00 0.00 C ATOM 1120 OH TYR A 69 7.945 -5.375 -11.227 1.00 0.00 O ATOM 0 H TYR A 69 9.358 -2.137 -16.547 1.00 0.00 H new ATOM 0 HA TYR A 69 8.657 -0.532 -14.201 1.00 0.00 H new ATOM 0 HB2 TYR A 69 11.150 -1.922 -15.206 1.00 0.00 H new ATOM 0 HB3 TYR A 69 11.189 -0.793 -13.866 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.542 -1.164 -11.923 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.528 -4.229 -14.790 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.338 -2.839 -10.543 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.387 -5.921 -13.359 1.00 0.00 H new ATOM 0 HH TYR A 69 7.998 -6.249 -11.668 1.00 0.00 H new ATOM 1130 N PHE A 70 9.005 1.666 -15.118 1.00 0.00 N ATOM 1131 CA PHE A 70 9.110 3.073 -15.516 1.00 0.00 C ATOM 1132 C PHE A 70 9.563 3.902 -14.292 1.00 0.00 C ATOM 1133 O PHE A 70 9.197 5.060 -14.113 1.00 0.00 O ATOM 1134 CB PHE A 70 7.741 3.453 -16.119 1.00 0.00 C ATOM 1135 CG PHE A 70 7.588 4.700 -16.982 1.00 0.00 C ATOM 1136 CD1 PHE A 70 8.535 5.742 -16.994 1.00 0.00 C ATOM 1137 CD2 PHE A 70 6.450 4.806 -17.808 1.00 0.00 C ATOM 1138 CE1 PHE A 70 8.317 6.883 -17.780 1.00 0.00 C ATOM 1139 CE2 PHE A 70 6.239 5.947 -18.603 1.00 0.00 C ATOM 1140 CZ PHE A 70 7.171 6.994 -18.580 1.00 0.00 C ATOM 0 H PHE A 70 8.283 1.524 -14.412 1.00 0.00 H new ATOM 0 HA PHE A 70 9.864 3.274 -16.277 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.409 2.606 -16.719 1.00 0.00 H new ATOM 0 HB3 PHE A 70 7.041 3.550 -15.289 1.00 0.00 H new ATOM 0 HD1 PHE A 70 9.431 5.662 -16.397 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.731 4.000 -17.830 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.040 7.685 -17.769 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.362 6.016 -19.229 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.007 7.880 -19.175 1.00 0.00 H new ATOM 1224 N LEU A 77 5.932 9.628 -16.028 1.00 0.00 N ATOM 1225 CA LEU A 77 4.659 9.018 -16.431 1.00 0.00 C ATOM 1226 C LEU A 77 3.446 9.892 -16.090 1.00 0.00 C ATOM 1227 O LEU A 77 2.440 9.824 -16.789 1.00 0.00 O ATOM 1228 CB LEU A 77 4.533 7.657 -15.729 1.00 0.00 C ATOM 1229 CG LEU A 77 3.193 6.929 -15.972 1.00 0.00 C ATOM 1230 CD1 LEU A 77 2.997 6.446 -17.408 1.00 0.00 C ATOM 1231 CD2 LEU A 77 3.125 5.731 -15.045 1.00 0.00 C ATOM 0 HA LEU A 77 4.666 8.905 -17.515 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.347 7.014 -16.064 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.663 7.803 -14.657 1.00 0.00 H new ATOM 0 HG LEU A 77 2.401 7.652 -15.777 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.033 5.946 -17.495 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.026 7.299 -18.086 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.793 5.748 -17.669 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.184 5.203 -15.202 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.958 5.060 -15.256 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.184 6.068 -14.010 1.00 0.00 H new ATOM 1243 N GLY A 78 3.537 10.750 -15.066 1.00 0.00 N ATOM 1244 CA GLY A 78 2.517 11.738 -14.727 1.00 0.00 C ATOM 1245 C GLY A 78 2.045 12.564 -15.928 1.00 0.00 C ATOM 1246 O GLY A 78 0.885 12.964 -15.964 1.00 0.00 O ATOM 0 H GLY A 78 4.341 10.773 -14.439 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.660 11.228 -14.287 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.912 12.411 -13.966 1.00 0.00 H new ATOM 1250 N THR A 79 2.915 12.746 -16.929 1.00 0.00 N ATOM 1251 CA THR A 79 2.619 13.339 -18.242 1.00 0.00 C ATOM 1252 C THR A 79 1.459 12.632 -18.961 1.00 0.00 C ATOM 1253 O THR A 79 0.625 13.297 -19.567 1.00 0.00 O ATOM 1254 CB THR A 79 3.875 13.294 -19.135 1.00 0.00 C ATOM 1255 OG1 THR A 79 5.024 13.694 -18.415 1.00 0.00 O ATOM 1256 CG2 THR A 79 3.759 14.212 -20.352 1.00 0.00 C ATOM 0 H THR A 79 3.893 12.471 -16.842 1.00 0.00 H new ATOM 0 HA THR A 79 2.317 14.371 -18.064 1.00 0.00 H new ATOM 0 HB THR A 79 3.963 12.259 -19.467 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.808 13.656 -19.002 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.669 14.143 -20.948 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.905 13.907 -20.957 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.620 15.241 -20.020 1.00 0.00 H new ATOM 1264 N ALA A 80 1.385 11.297 -18.876 1.00 0.00 N ATOM 1265 CA ALA A 80 0.352 10.473 -19.499 1.00 0.00 C ATOM 1266 C ALA A 80 -0.977 10.434 -18.728 1.00 0.00 C ATOM 1267 O ALA A 80 -2.002 10.108 -19.323 1.00 0.00 O ATOM 1268 CB ALA A 80 0.907 9.048 -19.660 1.00 0.00 C ATOM 0 H ALA A 80 2.067 10.747 -18.354 1.00 0.00 H new ATOM 0 HA ALA A 80 0.114 10.926 -20.461 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.152 8.414 -20.124 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.796 9.073 -20.290 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.167 8.646 -18.681 1.00 0.00 H new ATOM 1274 N VAL A 81 -0.974 10.742 -17.421 1.00 0.00 N ATOM 1275 CA VAL A 81 -2.112 10.501 -16.519 1.00 0.00 C ATOM 1276 C VAL A 81 -2.617 11.741 -15.766 1.00 0.00 C ATOM 1277 O VAL A 81 -3.686 11.669 -15.159 1.00 0.00 O ATOM 1278 CB VAL A 81 -1.775 9.357 -15.538 1.00 0.00 C ATOM 1279 CG1 VAL A 81 -1.586 8.026 -16.272 1.00 0.00 C ATOM 1280 CG2 VAL A 81 -0.512 9.624 -14.713 1.00 0.00 C ATOM 0 H VAL A 81 -0.173 11.170 -16.956 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.943 10.212 -17.162 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.629 9.303 -14.863 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.350 7.243 -15.551 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.504 7.768 -16.800 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.769 8.118 -16.988 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.330 8.783 -14.044 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.340 9.747 -15.382 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.646 10.533 -14.126 1.00 0.00 H new ATOM 1405 N VAL A 89 2.155 4.348 -10.287 1.00 0.00 N ATOM 1406 CA VAL A 89 1.712 2.956 -10.398 1.00 0.00 C ATOM 1407 C VAL A 89 0.363 2.929 -11.128 1.00 0.00 C ATOM 1408 O VAL A 89 -0.647 3.450 -10.648 1.00 0.00 O ATOM 1409 CB VAL A 89 1.768 2.250 -9.029 1.00 0.00 C ATOM 1410 CG1 VAL A 89 0.568 2.483 -8.107 1.00 0.00 C ATOM 1411 CG2 VAL A 89 1.963 0.750 -9.224 1.00 0.00 C ATOM 0 HA VAL A 89 2.390 2.361 -11.010 1.00 0.00 H new ATOM 0 HB VAL A 89 2.617 2.708 -8.521 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.715 1.939 -7.174 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.473 3.548 -7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.340 2.128 -8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.002 0.259 -8.252 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.131 0.347 -9.802 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.896 0.571 -9.758 1.00 0.00 H new ATOM 1421 N VAL A 90 0.391 2.415 -12.359 1.00 0.00 N ATOM 1422 CA VAL A 90 -0.689 2.535 -13.353 1.00 0.00 C ATOM 1423 C VAL A 90 -0.894 1.172 -14.008 1.00 0.00 C ATOM 1424 O VAL A 90 -0.019 0.301 -13.978 1.00 0.00 O ATOM 1425 CB VAL A 90 -0.355 3.631 -14.404 1.00 0.00 C ATOM 1426 CG1 VAL A 90 -1.488 3.950 -15.396 1.00 0.00 C ATOM 1427 CG2 VAL A 90 0.077 4.941 -13.729 1.00 0.00 C ATOM 0 H VAL A 90 1.190 1.886 -12.708 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.614 2.841 -12.864 1.00 0.00 H new ATOM 0 HB VAL A 90 0.463 3.197 -14.979 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.159 4.725 -16.088 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.746 3.051 -15.955 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.363 4.300 -14.849 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.303 5.686 -14.492 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.730 5.306 -13.093 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.965 4.762 -13.122 1.00 0.00 H new ATOM 1437 N SER A 91 -2.052 0.922 -14.612 1.00 0.00 N ATOM 1438 CA SER A 91 -2.220 -0.234 -15.495 1.00 0.00 C ATOM 1439 C SER A 91 -3.234 0.064 -16.594 1.00 0.00 C ATOM 1440 O SER A 91 -4.095 0.924 -16.420 1.00 0.00 O ATOM 1441 CB SER A 91 -2.615 -1.466 -14.676 1.00 0.00 C ATOM 1442 OG SER A 91 -1.720 -1.647 -13.592 1.00 0.00 O ATOM 0 H SER A 91 -2.886 1.500 -14.509 1.00 0.00 H new ATOM 0 HA SER A 91 -1.270 -0.446 -15.985 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.632 -1.350 -14.301 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.609 -2.351 -15.312 1.00 0.00 H new ATOM 0 HG SER A 91 -0.856 -1.238 -13.809 1.00 0.00 H new ATOM 1448 N ILE A 92 -3.124 -0.657 -17.713 1.00 0.00 N ATOM 1449 CA ILE A 92 -3.956 -0.516 -18.907 1.00 0.00 C ATOM 1450 C ILE A 92 -4.661 -1.850 -19.185 1.00 0.00 C ATOM 1451 O ILE A 92 -4.067 -2.933 -19.090 1.00 0.00 O ATOM 1452 CB ILE A 92 -3.132 -0.044 -20.128 1.00 0.00 C ATOM 1453 CG1 ILE A 92 -2.174 1.140 -19.856 1.00 0.00 C ATOM 1454 CG2 ILE A 92 -4.066 0.310 -21.298 1.00 0.00 C ATOM 1455 CD1 ILE A 92 -2.833 2.474 -19.511 1.00 0.00 C ATOM 0 H ILE A 92 -2.420 -1.388 -17.814 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.705 0.255 -18.727 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.493 -0.891 -20.379 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.511 0.863 -19.036 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.549 1.284 -20.737 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.472 0.641 -22.150 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.646 -0.569 -21.579 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.742 1.109 -20.995 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.063 3.227 -19.342 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.472 2.788 -20.336 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.434 2.360 -18.609 1.00 0.00 H new ATOM 1467 N LEU A 93 -5.949 -1.740 -19.511 1.00 0.00 N ATOM 1468 CA LEU A 93 -6.894 -2.824 -19.706 1.00 0.00 C ATOM 1469 C LEU A 93 -7.184 -2.933 -21.215 1.00 0.00 C ATOM 1470 O LEU A 93 -6.307 -3.352 -21.970 1.00 0.00 O ATOM 1471 CB LEU A 93 -8.127 -2.578 -18.803 1.00 0.00 C ATOM 1472 CG LEU A 93 -7.894 -2.468 -17.274 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -7.377 -1.106 -16.786 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -9.231 -2.680 -16.552 1.00 0.00 C ATOM 0 H LEU A 93 -6.382 -0.828 -19.654 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.506 -3.796 -19.401 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.607 -1.658 -19.135 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.836 -3.388 -18.976 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.135 -3.219 -17.055 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.247 -1.133 -15.704 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.420 -0.888 -17.261 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.096 -0.329 -17.046 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.079 -2.605 -15.475 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.942 -1.919 -16.872 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.623 -3.668 -16.795 1.00 0.00 H new ATOM 1486 N GLU A 94 -8.351 -2.487 -21.696 1.00 0.00 N ATOM 1487 CA GLU A 94 -8.630 -2.361 -23.128 1.00 0.00 C ATOM 1488 C GLU A 94 -7.960 -1.098 -23.701 1.00 0.00 C ATOM 1489 O GLU A 94 -8.537 -0.003 -23.671 1.00 0.00 O ATOM 1490 CB GLU A 94 -10.142 -2.337 -23.444 1.00 0.00 C ATOM 1491 CG GLU A 94 -10.999 -3.404 -22.755 1.00 0.00 C ATOM 1492 CD GLU A 94 -11.527 -2.889 -21.414 1.00 0.00 C ATOM 1493 OE1 GLU A 94 -10.761 -2.870 -20.427 1.00 0.00 O ATOM 1494 OE2 GLU A 94 -12.715 -2.489 -21.326 1.00 0.00 O ATOM 0 H GLU A 94 -9.129 -2.203 -21.100 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.212 -3.248 -23.603 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.533 -1.357 -23.171 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.268 -2.441 -24.522 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.834 -3.679 -23.399 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.408 -4.306 -22.597 1.00 0.00 H new ATOM 1501 N ALA A 95 -6.752 -1.239 -24.263 1.00 0.00 N ATOM 1502 CA ALA A 95 -6.152 -0.208 -25.118 1.00 0.00 C ATOM 1503 C ALA A 95 -6.865 -0.117 -26.483 1.00 0.00 C ATOM 1504 O ALA A 95 -6.278 -0.380 -27.531 1.00 0.00 O ATOM 1505 CB ALA A 95 -4.641 -0.395 -25.266 1.00 0.00 C ATOM 0 H ALA A 95 -6.167 -2.065 -24.139 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.298 0.750 -24.619 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.238 0.390 -25.907 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.170 -0.340 -24.285 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.437 -1.368 -25.712 1.00 0.00 H new ATOM 1511 N GLY A 96 -8.141 0.286 -26.479 1.00 0.00 N ATOM 1512 CA GLY A 96 -8.988 0.444 -27.670 1.00 0.00 C ATOM 1513 C GLY A 96 -8.632 1.659 -28.538 1.00 0.00 C ATOM 1514 O GLY A 96 -9.532 2.342 -29.015 1.00 0.00 O ATOM 0 H GLY A 96 -8.631 0.520 -25.616 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.913 -0.458 -28.278 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.028 0.529 -27.354 1.00 0.00 H new ATOM 1518 N ASP A 97 -7.336 1.946 -28.701 1.00 0.00 N ATOM 1519 CA ASP A 97 -6.817 3.173 -29.309 1.00 0.00 C ATOM 1520 C ASP A 97 -5.547 2.873 -30.129 1.00 0.00 C ATOM 1521 O ASP A 97 -5.638 2.682 -31.340 1.00 0.00 O ATOM 1522 CB ASP A 97 -6.616 4.209 -28.189 1.00 0.00 C ATOM 1523 CG ASP A 97 -6.606 5.641 -28.721 1.00 0.00 C ATOM 1524 OD1 ASP A 97 -5.739 5.984 -29.553 1.00 0.00 O ATOM 1525 OD2 ASP A 97 -7.509 6.423 -28.321 1.00 0.00 O ATOM 0 H ASP A 97 -6.597 1.309 -28.403 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.521 3.595 -30.026 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.412 4.103 -27.452 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.676 4.008 -27.675 1.00 0.00 H new ATOM 1530 N SER A 98 -4.379 2.762 -29.476 1.00 0.00 N ATOM 1531 CA SER A 98 -3.181 2.111 -30.020 1.00 0.00 C ATOM 1532 C SER A 98 -2.901 0.768 -29.329 1.00 0.00 C ATOM 1533 O SER A 98 -3.145 0.548 -28.148 1.00 0.00 O ATOM 1534 CB SER A 98 -1.979 3.078 -30.027 1.00 0.00 C ATOM 1535 OG SER A 98 -0.690 2.472 -30.133 1.00 0.00 O ATOM 0 H SER A 98 -4.240 3.131 -28.535 1.00 0.00 H new ATOM 0 HA SER A 98 -3.367 1.860 -31.064 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.102 3.773 -30.858 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.007 3.668 -29.111 1.00 0.00 H new ATOM 0 HG SER A 98 -0.653 1.922 -30.943 1.00 0.00 H new ATOM 1541 N ASP A 99 -2.248 -0.080 -30.107 1.00 0.00 N ATOM 1542 CA ASP A 99 -1.716 -1.431 -29.973 1.00 0.00 C ATOM 1543 C ASP A 99 -0.790 -1.728 -28.768 1.00 0.00 C ATOM 1544 O ASP A 99 -0.275 -2.845 -28.679 1.00 0.00 O ATOM 1545 CB ASP A 99 -0.913 -1.594 -31.284 1.00 0.00 C ATOM 1546 CG ASP A 99 0.122 -0.459 -31.438 1.00 0.00 C ATOM 1547 OD1 ASP A 99 -0.280 0.692 -31.745 1.00 0.00 O ATOM 1548 OD2 ASP A 99 1.304 -0.653 -31.076 1.00 0.00 O ATOM 0 H ASP A 99 -2.036 0.241 -31.052 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.541 -2.121 -29.796 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -0.405 -2.558 -31.287 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.594 -1.590 -32.135 1.00 0.00 H new ATOM 1553 N ILE A 100 -0.556 -0.775 -27.851 1.00 0.00 N ATOM 1554 CA ILE A 100 0.582 -0.795 -26.910 1.00 0.00 C ATOM 1555 C ILE A 100 0.774 -2.137 -26.187 1.00 0.00 C ATOM 1556 O ILE A 100 1.864 -2.703 -26.213 1.00 0.00 O ATOM 1557 CB ILE A 100 0.532 0.411 -25.936 1.00 0.00 C ATOM 1558 CG1 ILE A 100 1.933 0.632 -25.337 1.00 0.00 C ATOM 1559 CG2 ILE A 100 -0.505 0.258 -24.805 1.00 0.00 C ATOM 1560 CD1 ILE A 100 2.078 1.917 -24.515 1.00 0.00 C ATOM 0 H ILE A 100 -1.157 0.041 -27.739 1.00 0.00 H new ATOM 0 HA ILE A 100 1.479 -0.686 -27.520 1.00 0.00 H new ATOM 0 HB ILE A 100 0.214 1.275 -26.519 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.182 -0.219 -24.703 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.662 0.650 -26.147 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.480 1.141 -24.166 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.500 0.150 -25.236 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.269 -0.626 -24.212 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.096 1.991 -24.132 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.865 2.779 -25.147 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.377 1.896 -23.681 1.00 0.00 H new ATOM 1572 N LEU A 101 -0.294 -2.670 -25.593 1.00 0.00 N ATOM 1573 CA LEU A 101 -0.330 -3.940 -24.867 1.00 0.00 C ATOM 1574 C LEU A 101 0.012 -5.209 -25.659 1.00 0.00 C ATOM 1575 O LEU A 101 0.249 -6.240 -25.031 1.00 0.00 O ATOM 1576 CB LEU A 101 -1.547 -4.069 -23.938 1.00 0.00 C ATOM 1577 CG LEU A 101 -2.848 -3.319 -24.287 1.00 0.00 C ATOM 1578 CD1 LEU A 101 -4.030 -4.147 -24.788 1.00 0.00 C ATOM 1579 CD2 LEU A 101 -3.220 -2.600 -22.997 1.00 0.00 C ATOM 0 H LEU A 101 -1.202 -2.205 -25.606 1.00 0.00 H new ATOM 0 HA LEU A 101 0.541 -3.871 -24.215 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.790 -5.129 -23.863 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.237 -3.742 -22.945 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.647 -2.678 -25.146 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.874 -3.489 -24.994 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.747 -4.670 -25.701 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.314 -4.874 -24.027 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.140 -2.035 -23.148 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.370 -3.331 -22.203 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.417 -1.918 -22.716 1.00 0.00 H new