USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 651 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 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 HIS : no HD1:sc= -0.16 X(o=-1.1,f=-1.1) USER MOD Set 1.3: A 93 SER OG : rot -150:sc= -0.961 USER MOD Set 2.1: A 15 THR OG1 : rot -92:sc= 1.07 USER MOD Set 2.2: A 35 GLN : amide:sc= -8.93! C(o=-10!,f=-17!) USER MOD Set 2.3: A 37 ASN :FLIP amide:sc= -2.41! C(o=-15!,f=-10!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 22 THR OG1 : rot 29:sc= 0.174 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.774 F(o=-1.7,f=-0.77) USER MOD Single : A 28 GLN : amide:sc= -4.1 K(o=-4.1,f=-9.6!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot -92:sc= 1.75 USER MOD Single : A 51 SER OG : rot 86:sc= 0.809 USER MOD Single : A 57 CYS SG : rot -102:sc= -1.26! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.597 X(o=-0.6,f=-0.14) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 0.0443 X(o=0.044,f=-0.25) USER MOD Single : A 76 ASN :FLIP amide:sc= -1.4 F(o=-4.1!,f=-1.4) USER MOD Single : A 79 HIS : no HD1:sc= -0.263 K(o=-0.26,f=-1) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 11 -14.490 -4.263 1.176 1.00 0.00 N ATOM 102 CA ALA A 11 -13.129 -3.748 1.254 1.00 0.00 C ATOM 103 C ALA A 11 -12.366 -4.383 2.411 1.00 0.00 C ATOM 104 O ALA A 11 -11.137 -4.452 2.394 1.00 0.00 O ATOM 105 CB ALA A 11 -13.145 -2.233 1.398 1.00 0.00 C ATOM 0 HA ALA A 11 -12.615 -4.009 0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.122 -1.862 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.644 -1.791 0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.681 -1.960 2.307 1.00 0.00 H new ATOM 111 N ARG A 12 -13.103 -4.845 3.416 1.00 0.00 N ATOM 112 CA ARG A 12 -12.496 -5.473 4.584 1.00 0.00 C ATOM 113 C ARG A 12 -11.645 -6.672 4.175 1.00 0.00 C ATOM 114 O ARG A 12 -10.794 -7.130 4.937 1.00 0.00 O ATOM 115 CB ARG A 12 -13.577 -5.914 5.572 1.00 0.00 C ATOM 116 CG ARG A 12 -14.217 -7.247 5.220 1.00 0.00 C ATOM 117 CD ARG A 12 -15.047 -7.789 6.373 1.00 0.00 C ATOM 118 NE ARG A 12 -14.213 -8.364 7.425 1.00 0.00 N ATOM 119 CZ ARG A 12 -14.663 -9.224 8.333 1.00 0.00 C ATOM 120 NH1 ARG A 12 -15.933 -9.605 8.317 1.00 0.00 N ATOM 121 NH2 ARG A 12 -13.843 -9.704 9.258 1.00 0.00 N ATOM 0 H ARG A 12 -14.121 -4.796 3.445 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.851 -4.739 5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.141 -5.982 6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.352 -5.149 5.615 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.849 -7.127 4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.441 -7.967 4.959 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.655 -6.986 6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.734 -8.548 6.000 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.231 -8.091 7.465 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.567 -9.238 7.607 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.276 -10.265 9.015 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.865 -9.413 9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.190 -10.364 9.954 1.00 0.00 H new ATOM 135 N ARG A 13 -11.882 -7.175 2.968 1.00 0.00 N ATOM 136 CA ARG A 13 -11.139 -8.321 2.459 1.00 0.00 C ATOM 137 C ARG A 13 -9.807 -7.883 1.858 1.00 0.00 C ATOM 138 O ARG A 13 -8.812 -8.605 1.931 1.00 0.00 O ATOM 139 CB ARG A 13 -11.964 -9.066 1.408 1.00 0.00 C ATOM 140 CG ARG A 13 -13.346 -9.471 1.894 1.00 0.00 C ATOM 141 CD ARG A 13 -14.299 -9.706 0.732 1.00 0.00 C ATOM 142 NE ARG A 13 -15.697 -9.611 1.143 1.00 0.00 N ATOM 143 CZ ARG A 13 -16.340 -10.577 1.789 1.00 0.00 C ATOM 144 NH1 ARG A 13 -15.714 -11.704 2.098 1.00 0.00 N ATOM 145 NH2 ARG A 13 -17.613 -10.416 2.129 1.00 0.00 N ATOM 0 H ARG A 13 -12.583 -6.807 2.325 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.938 -8.991 3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.069 -8.434 0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.421 -9.959 1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.271 -10.378 2.493 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.747 -8.693 2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.101 -8.975 -0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.113 -10.691 0.304 1.00 0.00 H new ATOM 0 HE ARG A 13 -16.208 -8.756 0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.736 -11.831 1.840 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.211 -12.444 2.594 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -18.098 -9.550 1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.106 -11.158 2.625 1.00 0.00 H new ATOM 159 N LEU A 14 -9.795 -6.695 1.262 1.00 0.00 N ATOM 160 CA LEU A 14 -8.586 -6.159 0.647 1.00 0.00 C ATOM 161 C LEU A 14 -7.415 -6.199 1.624 1.00 0.00 C ATOM 162 O LEU A 14 -7.456 -5.578 2.687 1.00 0.00 O ATOM 163 CB LEU A 14 -8.822 -4.723 0.176 1.00 0.00 C ATOM 164 CG LEU A 14 -10.008 -4.514 -0.767 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.164 -3.040 -1.107 1.00 0.00 C ATOM 166 CD2 LEU A 14 -9.834 -5.340 -2.033 1.00 0.00 C ATOM 0 H LEU A 14 -10.609 -6.085 1.192 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.340 -6.781 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.965 -4.093 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.919 -4.373 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.914 -4.848 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.012 -2.909 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.334 -2.472 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.257 -2.681 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.687 -5.179 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.919 -5.037 -2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.771 -6.397 -1.772 1.00 0.00 H new ATOM 178 N THR A 15 -6.369 -6.933 1.256 1.00 0.00 N ATOM 179 CA THR A 15 -5.185 -7.053 2.099 1.00 0.00 C ATOM 180 C THR A 15 -3.912 -6.803 1.298 1.00 0.00 C ATOM 181 O THR A 15 -3.941 -6.749 0.068 1.00 0.00 O ATOM 182 CB THR A 15 -5.101 -8.445 2.753 1.00 0.00 C ATOM 183 OG1 THR A 15 -5.102 -9.462 1.745 1.00 0.00 O ATOM 184 CG2 THR A 15 -6.267 -8.666 3.705 1.00 0.00 C ATOM 0 H THR A 15 -6.318 -7.453 0.380 1.00 0.00 H new ATOM 0 HA THR A 15 -5.274 -6.297 2.879 1.00 0.00 H new ATOM 0 HB THR A 15 -4.172 -8.500 3.321 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.022 -9.757 1.579 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.187 -9.655 4.155 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.246 -7.908 4.488 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.205 -8.593 3.155 1.00 0.00 H new ATOM 192 N VAL A 16 -2.796 -6.652 2.002 1.00 0.00 N ATOM 193 CA VAL A 16 -1.511 -6.410 1.356 1.00 0.00 C ATOM 194 C VAL A 16 -0.381 -7.116 2.097 1.00 0.00 C ATOM 195 O VAL A 16 -0.271 -7.022 3.320 1.00 0.00 O ATOM 196 CB VAL A 16 -1.197 -4.904 1.279 1.00 0.00 C ATOM 197 CG1 VAL A 16 0.067 -4.662 0.469 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.374 -4.144 0.685 1.00 0.00 C ATOM 0 H VAL A 16 -2.755 -6.693 3.020 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.585 -6.811 0.345 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.028 -4.534 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.272 -3.592 0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.905 -5.174 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.070 -5.046 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.135 -3.082 0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.577 -4.515 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.255 -4.290 1.311 1.00 0.00 H new ATOM 208 N THR A 17 0.459 -7.823 1.348 1.00 0.00 N ATOM 209 CA THR A 17 1.581 -8.547 1.933 1.00 0.00 C ATOM 210 C THR A 17 2.908 -8.049 1.373 1.00 0.00 C ATOM 211 O THR A 17 3.739 -7.512 2.106 1.00 0.00 O ATOM 212 CB THR A 17 1.466 -10.062 1.680 1.00 0.00 C ATOM 213 OG1 THR A 17 0.171 -10.528 2.077 1.00 0.00 O ATOM 214 CG2 THR A 17 2.540 -10.821 2.445 1.00 0.00 C ATOM 0 H THR A 17 0.384 -7.910 0.334 1.00 0.00 H new ATOM 0 HA THR A 17 1.551 -8.363 3.007 1.00 0.00 H new ATOM 0 HB THR A 17 1.605 -10.242 0.614 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.105 -11.492 1.911 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.439 -11.889 2.251 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.525 -10.485 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.427 -10.634 3.513 1.00 0.00 H new ATOM 222 N SER A 18 3.101 -8.230 0.071 1.00 0.00 N ATOM 223 CA SER A 18 4.330 -7.801 -0.587 1.00 0.00 C ATOM 224 C SER A 18 4.860 -6.515 0.039 1.00 0.00 C ATOM 225 O SER A 18 6.052 -6.397 0.328 1.00 0.00 O ATOM 226 CB SER A 18 4.086 -7.591 -2.083 1.00 0.00 C ATOM 227 OG SER A 18 3.951 -8.831 -2.756 1.00 0.00 O ATOM 0 H SER A 18 2.422 -8.671 -0.550 1.00 0.00 H new ATOM 0 HA SER A 18 5.077 -8.584 -0.455 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.185 -6.995 -2.228 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.913 -7.028 -2.514 1.00 0.00 H new ATOM 0 HG SER A 18 3.794 -8.670 -3.710 1.00 0.00 H new ATOM 233 N LEU A 19 3.968 -5.553 0.245 1.00 0.00 N ATOM 234 CA LEU A 19 4.345 -4.274 0.837 1.00 0.00 C ATOM 235 C LEU A 19 5.366 -4.469 1.952 1.00 0.00 C ATOM 236 O LEU A 19 5.428 -5.532 2.570 1.00 0.00 O ATOM 237 CB LEU A 19 3.108 -3.558 1.383 1.00 0.00 C ATOM 238 CG LEU A 19 3.374 -2.355 2.288 1.00 0.00 C ATOM 239 CD1 LEU A 19 3.860 -1.168 1.471 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.120 -1.988 3.070 1.00 0.00 C ATOM 0 H LEU A 19 2.979 -5.634 0.011 1.00 0.00 H new ATOM 0 HA LEU A 19 4.798 -3.661 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.503 -3.226 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.510 -4.280 1.939 1.00 0.00 H new ATOM 0 HG LEU A 19 4.156 -2.626 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.044 -0.322 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.784 -1.434 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.101 -0.896 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.328 -1.130 3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.318 -1.738 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.815 -2.834 3.686 1.00 0.00 H new ATOM 252 N GLN A 20 6.164 -3.437 2.205 1.00 0.00 N ATOM 253 CA GLN A 20 7.182 -3.496 3.247 1.00 0.00 C ATOM 254 C GLN A 20 6.896 -2.477 4.346 1.00 0.00 C ATOM 255 O GLN A 20 7.421 -1.365 4.326 1.00 0.00 O ATOM 256 CB GLN A 20 8.568 -3.244 2.651 1.00 0.00 C ATOM 257 CG GLN A 20 9.704 -3.460 3.638 1.00 0.00 C ATOM 258 CD GLN A 20 10.221 -4.885 3.630 1.00 0.00 C ATOM 259 OE1 GLN A 20 9.413 -5.812 4.129 1.00 0.00 O flip ATOM 260 NE2 GLN A 20 11.336 -5.150 3.179 1.00 0.00 N flip ATOM 0 H GLN A 20 6.125 -2.550 1.703 1.00 0.00 H new ATOM 0 HA GLN A 20 7.159 -4.494 3.686 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.711 -3.903 1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.613 -2.221 2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.522 -2.780 3.400 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.361 -3.207 4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.925 -4.406 2.805 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.671 -6.114 3.180 1.00 0.00 H new ATOM 269 N GLU A 21 6.059 -2.866 5.303 1.00 0.00 N ATOM 270 CA GLU A 21 5.703 -1.986 6.409 1.00 0.00 C ATOM 271 C GLU A 21 6.932 -1.254 6.940 1.00 0.00 C ATOM 272 O GLU A 21 6.837 -0.125 7.422 1.00 0.00 O ATOM 273 CB GLU A 21 5.046 -2.786 7.536 1.00 0.00 C ATOM 274 CG GLU A 21 3.539 -2.913 7.394 1.00 0.00 C ATOM 275 CD GLU A 21 2.836 -1.569 7.417 1.00 0.00 C ATOM 276 OE1 GLU A 21 2.530 -1.078 8.524 1.00 0.00 O ATOM 277 OE2 GLU A 21 2.592 -1.009 6.328 1.00 0.00 O ATOM 0 H GLU A 21 5.615 -3.784 5.334 1.00 0.00 H new ATOM 0 HA GLU A 21 4.994 -1.247 6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.485 -3.783 7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.274 -2.309 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.308 -3.424 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.153 -3.535 8.202 1.00 0.00 H new ATOM 284 N THR A 22 8.087 -1.906 6.848 1.00 0.00 N ATOM 285 CA THR A 22 9.335 -1.319 7.320 1.00 0.00 C ATOM 286 C THR A 22 10.538 -1.969 6.645 1.00 0.00 C ATOM 287 O THR A 22 10.673 -3.192 6.640 1.00 0.00 O ATOM 288 CB THR A 22 9.480 -1.460 8.847 1.00 0.00 C ATOM 289 OG1 THR A 22 9.431 -2.841 9.219 1.00 0.00 O ATOM 290 CG2 THR A 22 8.379 -0.696 9.567 1.00 0.00 C ATOM 0 H THR A 22 8.184 -2.841 6.451 1.00 0.00 H new ATOM 0 HA THR A 22 9.304 -0.261 7.061 1.00 0.00 H new ATOM 0 HB THR A 22 10.443 -1.040 9.139 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.771 -3.391 8.482 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.502 -0.810 10.644 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.438 0.360 9.305 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.408 -1.090 9.269 1.00 0.00 H new ATOM 298 N GLY A 23 11.411 -1.143 6.077 1.00 0.00 N ATOM 299 CA GLY A 23 12.591 -1.656 5.408 1.00 0.00 C ATOM 300 C GLY A 23 12.652 -1.252 3.948 1.00 0.00 C ATOM 301 O GLY A 23 12.985 -2.064 3.084 1.00 0.00 O ATOM 0 H GLY A 23 11.322 -0.127 6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.482 -1.292 5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.603 -2.743 5.482 1.00 0.00 H new ATOM 305 N LEU A 24 12.329 0.006 3.671 1.00 0.00 N ATOM 306 CA LEU A 24 12.347 0.517 2.304 1.00 0.00 C ATOM 307 C LEU A 24 13.279 1.719 2.185 1.00 0.00 C ATOM 308 O LEU A 24 13.026 2.775 2.765 1.00 0.00 O ATOM 309 CB LEU A 24 10.934 0.908 1.866 1.00 0.00 C ATOM 310 CG LEU A 24 9.910 -0.227 1.814 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.531 0.315 1.473 1.00 0.00 C ATOM 312 CD2 LEU A 24 10.335 -1.283 0.804 1.00 0.00 C ATOM 0 H LEU A 24 12.052 0.691 4.374 1.00 0.00 H new ATOM 0 HA LEU A 24 12.717 -0.274 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.563 1.674 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.994 1.362 0.877 1.00 0.00 H new ATOM 0 HG LEU A 24 9.862 -0.693 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.815 -0.506 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.224 1.034 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.564 0.807 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.595 -2.083 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.412 -0.831 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.303 -1.693 1.092 1.00 0.00 H new ATOM 324 N LYS A 25 14.357 1.552 1.427 1.00 0.00 N ATOM 325 CA LYS A 25 15.326 2.623 1.227 1.00 0.00 C ATOM 326 C LYS A 25 14.688 3.807 0.508 1.00 0.00 C ATOM 327 O LYS A 25 13.777 3.637 -0.303 1.00 0.00 O ATOM 328 CB LYS A 25 16.524 2.111 0.423 1.00 0.00 C ATOM 329 CG LYS A 25 17.558 1.386 1.268 1.00 0.00 C ATOM 330 CD LYS A 25 18.464 0.515 0.413 1.00 0.00 C ATOM 331 CE LYS A 25 17.812 -0.820 0.090 1.00 0.00 C ATOM 332 NZ LYS A 25 18.041 -1.824 1.166 1.00 0.00 N ATOM 0 H LYS A 25 14.582 0.684 0.940 1.00 0.00 H new ATOM 0 HA LYS A 25 15.668 2.957 2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.167 1.438 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 25 17.002 2.953 -0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 25 18.159 2.114 1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 25 17.054 0.769 2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.704 1.037 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 25 19.405 0.344 0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.741 -0.676 -0.051 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.209 -1.200 -0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.581 -2.720 0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.062 -1.980 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.640 -1.473 2.059 1.00 0.00 H new ATOM 346 N VAL A 26 15.172 5.008 0.810 1.00 0.00 N ATOM 347 CA VAL A 26 14.650 6.220 0.192 1.00 0.00 C ATOM 348 C VAL A 26 14.972 6.260 -1.298 1.00 0.00 C ATOM 349 O VAL A 26 16.032 5.805 -1.726 1.00 0.00 O ATOM 350 CB VAL A 26 15.221 7.484 0.863 1.00 0.00 C ATOM 351 CG1 VAL A 26 16.710 7.612 0.579 1.00 0.00 C ATOM 352 CG2 VAL A 26 14.472 8.721 0.393 1.00 0.00 C ATOM 0 H VAL A 26 15.925 5.167 1.479 1.00 0.00 H new ATOM 0 HA VAL A 26 13.569 6.203 0.327 1.00 0.00 H new ATOM 0 HB VAL A 26 15.087 7.395 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.096 8.510 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.231 6.738 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.871 7.680 -0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.889 9.604 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.572 8.818 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.417 8.628 0.653 1.00 0.00 H new ATOM 362 N ASN A 27 14.050 6.807 -2.083 1.00 0.00 N ATOM 363 CA ASN A 27 14.236 6.907 -3.526 1.00 0.00 C ATOM 364 C ASN A 27 14.283 5.522 -4.165 1.00 0.00 C ATOM 365 O ASN A 27 14.865 5.341 -5.234 1.00 0.00 O ATOM 366 CB ASN A 27 15.523 7.671 -3.844 1.00 0.00 C ATOM 367 CG ASN A 27 15.597 9.003 -3.124 1.00 0.00 C ATOM 368 OD1 ASN A 27 16.647 9.191 -2.333 1.00 0.00 O flip ATOM 369 ND2 ASN A 27 14.720 9.854 -3.277 1.00 0.00 N flip ATOM 0 H ASN A 27 13.166 7.188 -1.744 1.00 0.00 H new ATOM 0 HA ASN A 27 13.387 7.451 -3.940 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.383 7.062 -3.565 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.587 7.838 -4.919 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.930 9.667 -3.895 1.00 0.00 H new ATOM 0 HD22 ASN A 27 14.783 10.746 -2.786 1.00 0.00 H new ATOM 376 N GLN A 28 13.665 4.549 -3.502 1.00 0.00 N ATOM 377 CA GLN A 28 13.637 3.181 -4.006 1.00 0.00 C ATOM 378 C GLN A 28 12.265 2.840 -4.577 1.00 0.00 C ATOM 379 O GLN A 28 11.227 3.223 -4.036 1.00 0.00 O ATOM 380 CB GLN A 28 13.997 2.198 -2.891 1.00 0.00 C ATOM 381 CG GLN A 28 14.691 0.940 -3.389 1.00 0.00 C ATOM 382 CD GLN A 28 15.319 0.137 -2.268 1.00 0.00 C ATOM 383 OE1 GLN A 28 16.501 -0.204 -2.320 1.00 0.00 O ATOM 384 NE2 GLN A 28 14.531 -0.170 -1.245 1.00 0.00 N ATOM 0 H GLN A 28 13.178 4.683 -2.616 1.00 0.00 H new ATOM 0 HA GLN A 28 14.374 3.099 -4.805 1.00 0.00 H new ATOM 0 HB2 GLN A 28 14.644 2.699 -2.171 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.088 1.915 -2.360 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.970 0.317 -3.917 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.462 1.216 -4.109 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.557 0.133 -1.243 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.899 -0.709 -0.461 1.00 0.00 H new ATOM 393 N PRO A 29 12.257 2.103 -5.698 1.00 0.00 N ATOM 394 CA PRO A 29 11.019 1.694 -6.368 1.00 0.00 C ATOM 395 C PRO A 29 10.240 0.658 -5.564 1.00 0.00 C ATOM 396 O PRO A 29 10.473 -0.544 -5.692 1.00 0.00 O ATOM 397 CB PRO A 29 11.511 1.089 -7.685 1.00 0.00 C ATOM 398 CG PRO A 29 12.900 0.636 -7.398 1.00 0.00 C ATOM 399 CD PRO A 29 13.456 1.612 -6.398 1.00 0.00 C ATOM 0 HA PRO A 29 10.331 2.529 -6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.880 0.257 -7.999 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.493 1.824 -8.490 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.905 -0.378 -6.998 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.502 0.623 -8.307 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.153 1.131 -5.712 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.997 2.423 -6.886 1.00 0.00 H new ATOM 407 N ALA A 30 9.314 1.131 -4.737 1.00 0.00 N ATOM 408 CA ALA A 30 8.499 0.246 -3.915 1.00 0.00 C ATOM 409 C ALA A 30 7.220 -0.156 -4.641 1.00 0.00 C ATOM 410 O ALA A 30 6.445 0.698 -5.071 1.00 0.00 O ATOM 411 CB ALA A 30 8.168 0.913 -2.588 1.00 0.00 C ATOM 0 H ALA A 30 9.109 2.123 -4.619 1.00 0.00 H new ATOM 0 HA ALA A 30 9.074 -0.659 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.559 0.240 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.091 1.142 -2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.617 1.835 -2.772 1.00 0.00 H new ATOM 417 N SER A 31 7.005 -1.461 -4.775 1.00 0.00 N ATOM 418 CA SER A 31 5.822 -1.975 -5.454 1.00 0.00 C ATOM 419 C SER A 31 5.337 -3.265 -4.799 1.00 0.00 C ATOM 420 O SER A 31 6.137 -4.122 -4.422 1.00 0.00 O ATOM 421 CB SER A 31 6.124 -2.223 -6.933 1.00 0.00 C ATOM 422 OG SER A 31 6.982 -3.339 -7.098 1.00 0.00 O ATOM 0 H SER A 31 7.635 -2.181 -4.422 1.00 0.00 H new ATOM 0 HA SER A 31 5.033 -1.227 -5.372 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.193 -2.393 -7.474 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.587 -1.337 -7.366 1.00 0.00 H new ATOM 0 HG SER A 31 7.158 -3.478 -8.052 1.00 0.00 H new ATOM 428 N PHE A 32 4.022 -3.395 -4.666 1.00 0.00 N ATOM 429 CA PHE A 32 3.429 -4.580 -4.055 1.00 0.00 C ATOM 430 C PHE A 32 2.078 -4.900 -4.689 1.00 0.00 C ATOM 431 O PHE A 32 1.598 -4.169 -5.555 1.00 0.00 O ATOM 432 CB PHE A 32 3.261 -4.373 -2.549 1.00 0.00 C ATOM 433 CG PHE A 32 2.961 -2.951 -2.168 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.960 -1.991 -2.182 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.680 -2.575 -1.797 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.686 -0.682 -1.832 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.401 -1.268 -1.446 1.00 0.00 C ATOM 438 CZ PHE A 32 2.405 -0.320 -1.464 1.00 0.00 C ATOM 0 H PHE A 32 3.346 -2.695 -4.973 1.00 0.00 H new ATOM 0 HA PHE A 32 4.100 -5.421 -4.227 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.456 -5.014 -2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.172 -4.692 -2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.963 -2.268 -2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.891 -3.312 -1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.473 0.057 -1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.399 -0.988 -1.158 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.189 0.702 -1.191 1.00 0.00 H new ATOM 448 N ALA A 33 1.471 -5.998 -4.252 1.00 0.00 N ATOM 449 CA ALA A 33 0.176 -6.416 -4.774 1.00 0.00 C ATOM 450 C ALA A 33 -0.894 -6.373 -3.688 1.00 0.00 C ATOM 451 O ALA A 33 -0.600 -6.550 -2.506 1.00 0.00 O ATOM 452 CB ALA A 33 0.272 -7.813 -5.369 1.00 0.00 C ATOM 0 H ALA A 33 1.856 -6.615 -3.537 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.113 -5.718 -5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.703 -8.112 -5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.999 -7.814 -6.181 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.588 -8.516 -4.598 1.00 0.00 H new ATOM 458 N VAL A 34 -2.136 -6.136 -4.097 1.00 0.00 N ATOM 459 CA VAL A 34 -3.250 -6.070 -3.159 1.00 0.00 C ATOM 460 C VAL A 34 -4.332 -7.083 -3.519 1.00 0.00 C ATOM 461 O VAL A 34 -5.124 -6.859 -4.434 1.00 0.00 O ATOM 462 CB VAL A 34 -3.872 -4.662 -3.123 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.007 -4.604 -2.113 1.00 0.00 C ATOM 464 CG2 VAL A 34 -2.811 -3.619 -2.806 1.00 0.00 C ATOM 0 H VAL A 34 -2.396 -5.986 -5.072 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.848 -6.306 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.284 -4.441 -4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.434 -3.601 -2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.778 -5.323 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.624 -4.846 -1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.268 -2.630 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.368 -3.835 -1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.036 -3.644 -3.572 1.00 0.00 H new ATOM 474 N GLN A 35 -4.359 -8.195 -2.792 1.00 0.00 N ATOM 475 CA GLN A 35 -5.344 -9.242 -3.035 1.00 0.00 C ATOM 476 C GLN A 35 -6.726 -8.812 -2.555 1.00 0.00 C ATOM 477 O GLN A 35 -6.894 -8.396 -1.408 1.00 0.00 O ATOM 478 CB GLN A 35 -4.927 -10.536 -2.334 1.00 0.00 C ATOM 479 CG GLN A 35 -5.377 -11.794 -3.061 1.00 0.00 C ATOM 480 CD GLN A 35 -6.768 -12.237 -2.653 1.00 0.00 C ATOM 481 OE1 GLN A 35 -7.047 -12.437 -1.470 1.00 0.00 O ATOM 482 NE2 GLN A 35 -7.651 -12.394 -3.632 1.00 0.00 N ATOM 0 H GLN A 35 -3.710 -8.394 -2.030 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.392 -9.418 -4.110 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.842 -10.552 -2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.339 -10.542 -1.325 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.358 -11.615 -4.136 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.670 -12.598 -2.859 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.378 -12.217 -4.599 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.603 -12.691 -3.417 1.00 0.00 H new ATOM 491 N LEU A 36 -7.712 -8.913 -3.439 1.00 0.00 N ATOM 492 CA LEU A 36 -9.080 -8.533 -3.106 1.00 0.00 C ATOM 493 C LEU A 36 -9.646 -9.438 -2.016 1.00 0.00 C ATOM 494 O LEU A 36 -10.415 -8.994 -1.164 1.00 0.00 O ATOM 495 CB LEU A 36 -9.967 -8.600 -4.351 1.00 0.00 C ATOM 496 CG LEU A 36 -9.408 -7.935 -5.609 1.00 0.00 C ATOM 497 CD1 LEU A 36 -10.189 -8.376 -6.838 1.00 0.00 C ATOM 498 CD2 LEU A 36 -9.438 -6.420 -5.471 1.00 0.00 C ATOM 0 H LEU A 36 -7.590 -9.255 -4.392 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.066 -7.509 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.165 -9.648 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.926 -8.138 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.371 -8.248 -5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.777 -7.893 -7.724 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.115 -9.458 -6.947 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.236 -8.094 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.036 -5.964 -6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.466 -6.088 -5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.833 -6.121 -4.615 1.00 0.00 H new ATOM 510 N ASN A 37 -9.258 -10.709 -2.049 1.00 0.00 N ATOM 511 CA ASN A 37 -9.726 -11.676 -1.062 1.00 0.00 C ATOM 512 C ASN A 37 -11.235 -11.873 -1.166 1.00 0.00 C ATOM 513 O ASN A 37 -11.899 -12.191 -0.180 1.00 0.00 O ATOM 514 CB ASN A 37 -9.356 -11.216 0.349 1.00 0.00 C ATOM 515 CG ASN A 37 -7.995 -11.724 0.785 1.00 0.00 C ATOM 516 OD1 ASN A 37 -6.961 -10.927 0.545 1.00 0.00 O flip ATOM 517 ND2 ASN A 37 -7.876 -12.821 1.332 1.00 0.00 N flip ATOM 0 H ASN A 37 -8.622 -11.093 -2.747 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.239 -12.630 -1.265 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.363 -10.127 0.387 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.113 -11.564 1.052 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.699 -13.401 1.497 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.955 -13.150 1.620 1.00 0.00 H new ATOM 524 N GLY A 38 -11.770 -11.682 -2.368 1.00 0.00 N ATOM 525 CA GLY A 38 -13.197 -11.843 -2.579 1.00 0.00 C ATOM 526 C GLY A 38 -13.920 -10.515 -2.693 1.00 0.00 C ATOM 527 O GLY A 38 -15.063 -10.384 -2.258 1.00 0.00 O ATOM 0 H GLY A 38 -11.241 -11.419 -3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.364 -12.423 -3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.621 -12.414 -1.753 1.00 0.00 H new ATOM 531 N ALA A 39 -13.251 -9.527 -3.279 1.00 0.00 N ATOM 532 CA ALA A 39 -13.836 -8.204 -3.449 1.00 0.00 C ATOM 533 C ALA A 39 -13.865 -7.801 -4.920 1.00 0.00 C ATOM 534 O ALA A 39 -13.264 -8.463 -5.766 1.00 0.00 O ATOM 535 CB ALA A 39 -13.065 -7.176 -2.634 1.00 0.00 C ATOM 0 H ALA A 39 -12.303 -9.619 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.864 -8.240 -3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.514 -6.192 -2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.101 -7.447 -1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.028 -7.151 -2.967 1.00 0.00 H new ATOM 541 N ARG A 40 -14.567 -6.713 -5.217 1.00 0.00 N ATOM 542 CA ARG A 40 -14.675 -6.223 -6.586 1.00 0.00 C ATOM 543 C ARG A 40 -14.824 -4.705 -6.611 1.00 0.00 C ATOM 544 O ARG A 40 -15.761 -4.154 -6.035 1.00 0.00 O ATOM 545 CB ARG A 40 -15.866 -6.875 -7.291 1.00 0.00 C ATOM 546 CG ARG A 40 -15.562 -8.256 -7.850 1.00 0.00 C ATOM 547 CD ARG A 40 -14.562 -8.186 -8.994 1.00 0.00 C ATOM 548 NE ARG A 40 -14.627 -9.367 -9.851 1.00 0.00 N ATOM 549 CZ ARG A 40 -14.183 -9.392 -11.102 1.00 0.00 C ATOM 550 NH1 ARG A 40 -13.643 -8.307 -11.640 1.00 0.00 N ATOM 551 NH2 ARG A 40 -14.277 -10.505 -11.818 1.00 0.00 N ATOM 0 H ARG A 40 -15.070 -6.154 -4.528 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.759 -6.489 -7.113 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.696 -6.951 -6.588 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.195 -6.228 -8.104 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.166 -8.891 -7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.485 -8.719 -8.199 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.755 -7.294 -9.590 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.555 -8.087 -8.589 1.00 0.00 H new ATOM 0 HE ARG A 40 -15.036 -10.219 -9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.568 -7.450 -11.092 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.303 -8.330 -12.601 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.691 -11.342 -11.407 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.936 -10.524 -12.779 1.00 0.00 H new ATOM 565 N GLY A 41 -13.893 -4.034 -7.282 1.00 0.00 N ATOM 566 CA GLY A 41 -13.938 -2.586 -7.369 1.00 0.00 C ATOM 567 C GLY A 41 -12.643 -1.995 -7.889 1.00 0.00 C ATOM 568 O GLY A 41 -11.853 -2.684 -8.535 1.00 0.00 O ATOM 0 H GLY A 41 -13.108 -4.468 -7.767 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.757 -2.290 -8.024 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.152 -2.173 -6.383 1.00 0.00 H new ATOM 572 N VAL A 42 -12.424 -0.715 -7.608 1.00 0.00 N ATOM 573 CA VAL A 42 -11.215 -0.031 -8.052 1.00 0.00 C ATOM 574 C VAL A 42 -10.348 0.379 -6.867 1.00 0.00 C ATOM 575 O VAL A 42 -10.846 0.917 -5.878 1.00 0.00 O ATOM 576 CB VAL A 42 -11.553 1.221 -8.884 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.280 1.930 -9.322 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.406 0.847 -10.086 1.00 0.00 C ATOM 0 H VAL A 42 -13.068 -0.130 -7.075 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.663 -0.735 -8.675 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.126 1.907 -8.261 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.538 2.812 -9.908 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.711 2.233 -8.443 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.678 1.254 -9.929 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.635 1.743 -10.662 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.861 0.142 -10.713 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.334 0.388 -9.745 1.00 0.00 H new ATOM 588 N ILE A 43 -9.049 0.120 -6.974 1.00 0.00 N ATOM 589 CA ILE A 43 -8.113 0.463 -5.911 1.00 0.00 C ATOM 590 C ILE A 43 -7.408 1.783 -6.205 1.00 0.00 C ATOM 591 O ILE A 43 -6.788 1.947 -7.256 1.00 0.00 O ATOM 592 CB ILE A 43 -7.054 -0.639 -5.716 1.00 0.00 C ATOM 593 CG1 ILE A 43 -7.729 -1.972 -5.385 1.00 0.00 C ATOM 594 CG2 ILE A 43 -6.077 -0.247 -4.618 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.017 -2.154 -3.911 1.00 0.00 C ATOM 0 H ILE A 43 -8.621 -0.326 -7.786 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.697 0.561 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.497 -0.756 -6.646 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.664 -2.045 -5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.091 -2.788 -5.726 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.335 -1.036 -4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.576 0.682 -4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.618 -0.106 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.495 -3.120 -3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.083 -2.114 -3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.680 -1.359 -3.569 1.00 0.00 H new ATOM 607 N ASP A 44 -7.504 2.720 -5.268 1.00 0.00 N ATOM 608 CA ASP A 44 -6.873 4.025 -5.425 1.00 0.00 C ATOM 609 C ASP A 44 -5.698 4.179 -4.465 1.00 0.00 C ATOM 610 O ASP A 44 -5.874 4.172 -3.247 1.00 0.00 O ATOM 611 CB ASP A 44 -7.893 5.140 -5.185 1.00 0.00 C ATOM 612 CG ASP A 44 -9.255 4.814 -5.766 1.00 0.00 C ATOM 613 OD1 ASP A 44 -9.774 3.715 -5.480 1.00 0.00 O ATOM 614 OD2 ASP A 44 -9.801 5.658 -6.506 1.00 0.00 O ATOM 0 H ASP A 44 -8.013 2.600 -4.392 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.497 4.100 -6.446 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.991 5.315 -4.114 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.525 6.066 -5.627 1.00 0.00 H new ATOM 619 N ALA A 45 -4.499 4.317 -5.022 1.00 0.00 N ATOM 620 CA ALA A 45 -3.295 4.474 -4.215 1.00 0.00 C ATOM 621 C ALA A 45 -2.727 5.883 -4.346 1.00 0.00 C ATOM 622 O ALA A 45 -2.546 6.389 -5.453 1.00 0.00 O ATOM 623 CB ALA A 45 -2.252 3.442 -4.619 1.00 0.00 C ATOM 0 H ALA A 45 -4.336 4.323 -6.029 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.563 4.314 -3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.358 3.570 -4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.654 2.440 -4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.996 3.576 -5.670 1.00 0.00 H new ATOM 629 N ARG A 46 -2.448 6.511 -3.208 1.00 0.00 N ATOM 630 CA ARG A 46 -1.902 7.862 -3.195 1.00 0.00 C ATOM 631 C ARG A 46 -1.092 8.110 -1.926 1.00 0.00 C ATOM 632 O ARG A 46 -1.605 7.978 -0.814 1.00 0.00 O ATOM 633 CB ARG A 46 -3.029 8.892 -3.303 1.00 0.00 C ATOM 634 CG ARG A 46 -3.585 9.041 -4.709 1.00 0.00 C ATOM 635 CD ARG A 46 -4.284 10.379 -4.893 1.00 0.00 C ATOM 636 NE ARG A 46 -5.653 10.355 -4.384 1.00 0.00 N ATOM 637 CZ ARG A 46 -6.419 11.436 -4.283 1.00 0.00 C ATOM 638 NH1 ARG A 46 -5.951 12.620 -4.653 1.00 0.00 N ATOM 639 NH2 ARG A 46 -7.654 11.333 -3.811 1.00 0.00 N ATOM 0 H ARG A 46 -2.591 6.105 -2.283 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.239 7.967 -4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.837 8.605 -2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.659 9.859 -2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.775 8.950 -5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.287 8.232 -4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.719 11.157 -4.379 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.295 10.640 -5.951 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.042 9.459 -4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.001 12.702 -5.016 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.541 13.449 -4.575 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.017 10.423 -3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.241 12.163 -3.734 1.00 0.00 H new ATOM 653 N VAL A 47 0.176 8.468 -2.099 1.00 0.00 N ATOM 654 CA VAL A 47 1.057 8.734 -0.969 1.00 0.00 C ATOM 655 C VAL A 47 1.084 10.220 -0.631 1.00 0.00 C ATOM 656 O VAL A 47 1.017 11.071 -1.518 1.00 0.00 O ATOM 657 CB VAL A 47 2.494 8.258 -1.252 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.523 6.754 -1.480 1.00 0.00 C ATOM 659 CG2 VAL A 47 3.074 8.997 -2.448 1.00 0.00 C ATOM 0 H VAL A 47 0.616 8.581 -3.012 1.00 0.00 H new ATOM 0 HA VAL A 47 0.659 8.178 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 47 3.110 8.482 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.546 6.436 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.150 6.244 -0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.893 6.503 -2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.090 8.648 -2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.458 8.806 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.090 10.067 -2.242 1.00 0.00 H new ATOM 669 N HIS A 48 1.182 10.527 0.659 1.00 0.00 N ATOM 670 CA HIS A 48 1.219 11.912 1.115 1.00 0.00 C ATOM 671 C HIS A 48 2.591 12.261 1.683 1.00 0.00 C ATOM 672 O HIS A 48 2.992 11.746 2.728 1.00 0.00 O ATOM 673 CB HIS A 48 0.140 12.151 2.173 1.00 0.00 C ATOM 674 CG HIS A 48 -1.248 12.200 1.612 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.977 13.365 1.509 1.00 0.00 N ATOM 676 CD2 HIS A 48 -2.039 11.218 1.121 1.00 0.00 C ATOM 677 CE1 HIS A 48 -3.158 13.098 0.981 1.00 0.00 C ATOM 678 NE2 HIS A 48 -3.221 11.801 0.736 1.00 0.00 N ATOM 0 H HIS A 48 1.237 9.835 1.407 1.00 0.00 H new ATOM 0 HA HIS A 48 1.026 12.556 0.257 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.193 11.359 2.920 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.349 13.089 2.687 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.787 10.170 1.046 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.939 13.817 0.783 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.018 11.313 0.327 1.00 0.00 H new ATOM 687 N THR A 49 3.308 13.138 0.988 1.00 0.00 N ATOM 688 CA THR A 49 4.636 13.554 1.421 1.00 0.00 C ATOM 689 C THR A 49 4.571 14.312 2.743 1.00 0.00 C ATOM 690 O THR A 49 3.610 15.025 3.030 1.00 0.00 O ATOM 691 CB THR A 49 5.318 14.444 0.366 1.00 0.00 C ATOM 692 OG1 THR A 49 4.470 15.549 0.034 1.00 0.00 O ATOM 693 CG2 THR A 49 5.636 13.647 -0.891 1.00 0.00 C ATOM 0 H THR A 49 2.991 13.574 0.122 1.00 0.00 H new ATOM 0 HA THR A 49 5.224 12.646 1.554 1.00 0.00 H new ATOM 0 HB THR A 49 6.252 14.817 0.787 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.909 15.312 -0.734 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.117 14.297 -1.622 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.306 12.824 -0.640 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.713 13.248 -1.312 1.00 0.00 H new ATOM 701 N PRO A 50 5.617 14.156 3.567 1.00 0.00 N ATOM 702 CA PRO A 50 5.703 14.819 4.872 1.00 0.00 C ATOM 703 C PRO A 50 5.902 16.325 4.745 1.00 0.00 C ATOM 704 O PRO A 50 5.900 17.047 5.741 1.00 0.00 O ATOM 705 CB PRO A 50 6.928 14.170 5.520 1.00 0.00 C ATOM 706 CG PRO A 50 7.763 13.709 4.375 1.00 0.00 C ATOM 707 CD PRO A 50 6.798 13.321 3.289 1.00 0.00 C ATOM 0 HA PRO A 50 4.786 14.702 5.450 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.469 14.881 6.144 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.642 13.337 6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.433 14.500 4.037 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.387 12.863 4.663 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.207 13.520 2.298 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.557 12.259 3.327 1.00 0.00 H new ATOM 715 N SER A 51 6.074 16.793 3.512 1.00 0.00 N ATOM 716 CA SER A 51 6.279 18.214 3.256 1.00 0.00 C ATOM 717 C SER A 51 4.944 18.934 3.093 1.00 0.00 C ATOM 718 O SER A 51 4.783 20.074 3.526 1.00 0.00 O ATOM 719 CB SER A 51 7.133 18.409 2.001 1.00 0.00 C ATOM 720 OG SER A 51 8.475 18.016 2.232 1.00 0.00 O ATOM 0 H SER A 51 6.075 16.209 2.676 1.00 0.00 H new ATOM 0 HA SER A 51 6.801 18.641 4.112 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.716 17.826 1.179 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.104 19.455 1.697 1.00 0.00 H new ATOM 0 HG SER A 51 8.564 17.052 2.082 1.00 0.00 H new ATOM 726 N GLY A 52 3.986 18.258 2.464 1.00 0.00 N ATOM 727 CA GLY A 52 2.677 18.847 2.254 1.00 0.00 C ATOM 728 C GLY A 52 2.255 18.820 0.799 1.00 0.00 C ATOM 729 O GLY A 52 1.510 19.687 0.345 1.00 0.00 O ATOM 0 H GLY A 52 4.094 17.313 2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.941 18.311 2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.685 19.878 2.607 1.00 0.00 H new ATOM 733 N ALA A 53 2.734 17.820 0.065 1.00 0.00 N ATOM 734 CA ALA A 53 2.401 17.683 -1.348 1.00 0.00 C ATOM 735 C ALA A 53 1.806 16.310 -1.641 1.00 0.00 C ATOM 736 O ALA A 53 2.395 15.282 -1.304 1.00 0.00 O ATOM 737 CB ALA A 53 3.635 17.919 -2.206 1.00 0.00 C ATOM 0 H ALA A 53 3.353 17.094 0.425 1.00 0.00 H new ATOM 0 HA ALA A 53 1.651 18.435 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.372 17.814 -3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.016 18.924 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.402 17.189 -1.949 1.00 0.00 H new ATOM 743 N VAL A 54 0.635 16.299 -2.269 1.00 0.00 N ATOM 744 CA VAL A 54 -0.040 15.052 -2.608 1.00 0.00 C ATOM 745 C VAL A 54 0.609 14.386 -3.816 1.00 0.00 C ATOM 746 O VAL A 54 0.553 14.908 -4.929 1.00 0.00 O ATOM 747 CB VAL A 54 -1.533 15.285 -2.905 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.191 13.997 -3.378 1.00 0.00 C ATOM 749 CG2 VAL A 54 -2.241 15.834 -1.675 1.00 0.00 C ATOM 0 H VAL A 54 0.134 17.140 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 54 0.053 14.397 -1.742 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.616 16.022 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.246 14.181 -3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.700 13.650 -4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.100 13.236 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.295 15.993 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.150 15.122 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.786 16.781 -1.385 1.00 0.00 H new ATOM 759 N GLU A 55 1.225 13.230 -3.587 1.00 0.00 N ATOM 760 CA GLU A 55 1.886 12.493 -4.658 1.00 0.00 C ATOM 761 C GLU A 55 0.948 11.451 -5.260 1.00 0.00 C ATOM 762 O GLU A 55 0.003 11.003 -4.611 1.00 0.00 O ATOM 763 CB GLU A 55 3.152 11.813 -4.133 1.00 0.00 C ATOM 764 CG GLU A 55 4.371 12.721 -4.122 1.00 0.00 C ATOM 765 CD GLU A 55 5.597 12.044 -3.543 1.00 0.00 C ATOM 766 OE1 GLU A 55 5.433 11.046 -2.810 1.00 0.00 O ATOM 767 OE2 GLU A 55 6.721 12.512 -3.821 1.00 0.00 O ATOM 0 H GLU A 55 1.280 12.784 -2.671 1.00 0.00 H new ATOM 0 HA GLU A 55 2.161 13.203 -5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.968 11.454 -3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.366 10.939 -4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.587 13.046 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.147 13.616 -3.542 1.00 0.00 H new ATOM 774 N GLU A 56 1.217 11.070 -6.505 1.00 0.00 N ATOM 775 CA GLU A 56 0.396 10.082 -7.195 1.00 0.00 C ATOM 776 C GLU A 56 1.176 8.790 -7.423 1.00 0.00 C ATOM 777 O GLU A 56 2.367 8.820 -7.736 1.00 0.00 O ATOM 778 CB GLU A 56 -0.094 10.638 -8.533 1.00 0.00 C ATOM 779 CG GLU A 56 1.012 10.815 -9.560 1.00 0.00 C ATOM 780 CD GLU A 56 0.545 11.558 -10.797 1.00 0.00 C ATOM 781 OE1 GLU A 56 -0.130 12.598 -10.645 1.00 0.00 O ATOM 782 OE2 GLU A 56 0.855 11.100 -11.917 1.00 0.00 O ATOM 0 H GLU A 56 1.996 11.430 -7.056 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.465 9.860 -6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.852 9.968 -8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.577 11.600 -8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.841 11.358 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.393 9.836 -9.851 1.00 0.00 H new ATOM 789 N CYS A 57 0.497 7.660 -7.264 1.00 0.00 N ATOM 790 CA CYS A 57 1.126 6.357 -7.452 1.00 0.00 C ATOM 791 C CYS A 57 0.775 5.775 -8.817 1.00 0.00 C ATOM 792 O CYS A 57 0.075 6.405 -9.610 1.00 0.00 O ATOM 793 CB CYS A 57 0.692 5.394 -6.346 1.00 0.00 C ATOM 794 SG CYS A 57 1.291 5.842 -4.700 1.00 0.00 S ATOM 0 H CYS A 57 -0.489 7.619 -7.005 1.00 0.00 H new ATOM 0 HA CYS A 57 2.206 6.492 -7.403 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.397 5.349 -6.325 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.048 4.393 -6.590 1.00 0.00 H new ATOM 0 HG CYS A 57 2.303 5.088 -4.386 1.00 0.00 H new ATOM 800 N TYR A 58 1.267 4.571 -9.085 1.00 0.00 N ATOM 801 CA TYR A 58 1.008 3.905 -10.356 1.00 0.00 C ATOM 802 C TYR A 58 0.254 2.596 -10.142 1.00 0.00 C ATOM 803 O TYR A 58 0.794 1.638 -9.588 1.00 0.00 O ATOM 804 CB TYR A 58 2.322 3.635 -11.091 1.00 0.00 C ATOM 805 CG TYR A 58 2.135 3.198 -12.526 1.00 0.00 C ATOM 806 CD1 TYR A 58 1.835 1.877 -12.837 1.00 0.00 C ATOM 807 CD2 TYR A 58 2.258 4.105 -13.571 1.00 0.00 C ATOM 808 CE1 TYR A 58 1.664 1.473 -14.146 1.00 0.00 C ATOM 809 CE2 TYR A 58 2.086 3.710 -14.884 1.00 0.00 C ATOM 810 CZ TYR A 58 1.790 2.393 -15.166 1.00 0.00 C ATOM 811 OH TYR A 58 1.620 1.995 -16.473 1.00 0.00 O ATOM 0 H TYR A 58 1.848 4.036 -8.439 1.00 0.00 H new ATOM 0 HA TYR A 58 0.388 4.565 -10.963 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.931 4.538 -11.072 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.877 2.865 -10.555 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.734 1.154 -12.041 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.492 5.137 -13.354 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.433 0.442 -14.370 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.183 4.428 -15.685 1.00 0.00 H new ATOM 0 HH TYR A 58 1.741 2.764 -17.068 1.00 0.00 H new ATOM 821 N VAL A 59 -0.998 2.563 -10.586 1.00 0.00 N ATOM 822 CA VAL A 59 -1.828 1.372 -10.446 1.00 0.00 C ATOM 823 C VAL A 59 -2.524 1.029 -11.758 1.00 0.00 C ATOM 824 O VAL A 59 -3.199 1.869 -12.352 1.00 0.00 O ATOM 825 CB VAL A 59 -2.890 1.554 -9.346 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.476 2.957 -9.397 1.00 0.00 C ATOM 827 CG2 VAL A 59 -3.984 0.506 -9.483 1.00 0.00 C ATOM 0 H VAL A 59 -1.460 3.347 -11.046 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.163 0.555 -10.167 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.410 1.421 -8.376 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.225 3.067 -8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.682 3.689 -9.246 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.942 3.122 -10.369 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.726 0.650 -8.697 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.463 0.605 -10.457 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.548 -0.489 -9.393 1.00 0.00 H new ATOM 917 N LYS A 66 -6.478 -8.378 -9.455 1.00 0.00 N ATOM 918 CA LYS A 66 -5.509 -7.793 -8.535 1.00 0.00 C ATOM 919 C LYS A 66 -5.146 -6.374 -8.958 1.00 0.00 C ATOM 920 O LYS A 66 -5.580 -5.897 -10.007 1.00 0.00 O ATOM 921 CB LYS A 66 -4.248 -8.658 -8.473 1.00 0.00 C ATOM 922 CG LYS A 66 -4.453 -9.984 -7.761 1.00 0.00 C ATOM 923 CD LYS A 66 -3.130 -10.603 -7.344 1.00 0.00 C ATOM 924 CE LYS A 66 -2.344 -11.102 -8.546 1.00 0.00 C ATOM 925 NZ LYS A 66 -1.339 -12.132 -8.164 1.00 0.00 N ATOM 0 HA LYS A 66 -5.963 -7.752 -7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.900 -8.850 -9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.460 -8.101 -7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.078 -9.833 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.987 -10.672 -8.417 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.538 -9.866 -6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.314 -11.431 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.032 -11.521 -9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.839 -10.262 -9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.825 -12.446 -9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.667 -11.725 -7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.822 -12.945 -7.731 1.00 0.00 H new ATOM 939 N HIS A 67 -4.345 -5.703 -8.136 1.00 0.00 N ATOM 940 CA HIS A 67 -3.921 -4.338 -8.427 1.00 0.00 C ATOM 941 C HIS A 67 -2.481 -4.109 -7.978 1.00 0.00 C ATOM 942 O HIS A 67 -2.175 -4.154 -6.786 1.00 0.00 O ATOM 943 CB HIS A 67 -4.847 -3.336 -7.737 1.00 0.00 C ATOM 944 CG HIS A 67 -6.214 -3.268 -8.345 1.00 0.00 C ATOM 945 ND1 HIS A 67 -6.543 -2.398 -9.363 1.00 0.00 N ATOM 946 CD2 HIS A 67 -7.340 -3.970 -8.074 1.00 0.00 C ATOM 947 CE1 HIS A 67 -7.811 -2.566 -9.691 1.00 0.00 C ATOM 948 NE2 HIS A 67 -8.318 -3.515 -8.924 1.00 0.00 N ATOM 0 H HIS A 67 -3.977 -6.082 -7.264 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.975 -4.189 -9.505 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.939 -3.604 -6.684 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.391 -2.346 -7.775 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.449 -4.744 -7.328 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.343 -2.020 -10.456 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.279 -3.854 -8.958 1.00 0.00 H new ATOM 957 N THR A 68 -1.597 -3.864 -8.941 1.00 0.00 N ATOM 958 CA THR A 68 -0.190 -3.630 -8.645 1.00 0.00 C ATOM 959 C THR A 68 0.095 -2.143 -8.465 1.00 0.00 C ATOM 960 O THR A 68 -0.280 -1.324 -9.304 1.00 0.00 O ATOM 961 CB THR A 68 0.718 -4.183 -9.761 1.00 0.00 C ATOM 962 OG1 THR A 68 0.333 -5.523 -10.087 1.00 0.00 O ATOM 963 CG2 THR A 68 2.177 -4.159 -9.332 1.00 0.00 C ATOM 0 H THR A 68 -1.832 -3.823 -9.933 1.00 0.00 H new ATOM 0 HA THR A 68 0.028 -4.154 -7.715 1.00 0.00 H new ATOM 0 HB THR A 68 0.604 -3.549 -10.640 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.914 -5.866 -10.798 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.799 -4.554 -10.135 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.475 -3.134 -9.113 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.304 -4.772 -8.440 1.00 0.00 H new ATOM 971 N ILE A 69 0.760 -1.802 -7.366 1.00 0.00 N ATOM 972 CA ILE A 69 1.096 -0.414 -7.077 1.00 0.00 C ATOM 973 C ILE A 69 2.596 -0.173 -7.206 1.00 0.00 C ATOM 974 O ILE A 69 3.403 -1.062 -6.935 1.00 0.00 O ATOM 975 CB ILE A 69 0.641 -0.007 -5.663 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.680 -0.694 -5.311 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.501 1.505 -5.566 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.810 -0.351 -6.256 1.00 0.00 C ATOM 0 H ILE A 69 1.076 -2.468 -6.661 1.00 0.00 H new ATOM 0 HA ILE A 69 0.568 0.197 -7.809 1.00 0.00 H new ATOM 0 HB ILE A 69 1.398 -0.329 -4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.530 -1.774 -5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.967 -0.414 -4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.179 1.777 -4.561 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.462 1.974 -5.778 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.238 1.849 -6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.715 -0.873 -5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.987 0.724 -6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.544 -0.657 -7.268 1.00 0.00 H new ATOM 990 N ARG A 70 2.962 1.036 -7.620 1.00 0.00 N ATOM 991 CA ARG A 70 4.366 1.394 -7.784 1.00 0.00 C ATOM 992 C ARG A 70 4.590 2.870 -7.469 1.00 0.00 C ATOM 993 O ARG A 70 3.969 3.746 -8.071 1.00 0.00 O ATOM 994 CB ARG A 70 4.829 1.090 -9.210 1.00 0.00 C ATOM 995 CG ARG A 70 6.335 0.940 -9.342 1.00 0.00 C ATOM 996 CD ARG A 70 6.757 0.819 -10.798 1.00 0.00 C ATOM 997 NE ARG A 70 6.374 1.993 -11.578 1.00 0.00 N ATOM 998 CZ ARG A 70 6.765 2.203 -12.831 1.00 0.00 C ATOM 999 NH1 ARG A 70 7.546 1.322 -13.441 1.00 0.00 N ATOM 1000 NH2 ARG A 70 6.373 3.295 -13.475 1.00 0.00 N ATOM 0 H ARG A 70 2.306 1.783 -7.848 1.00 0.00 H new ATOM 0 HA ARG A 70 4.952 0.797 -7.085 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.350 0.172 -9.551 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.493 1.889 -9.870 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.829 1.800 -8.889 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.664 0.058 -8.792 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.837 0.684 -10.852 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.302 -0.070 -11.235 1.00 0.00 H new ATOM 0 HE ARG A 70 5.774 2.690 -11.137 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.848 0.481 -12.949 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.845 1.485 -14.403 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.771 3.974 -13.009 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.673 3.456 -14.436 1.00 0.00 H new ATOM 1014 N PHE A 71 5.482 3.139 -6.521 1.00 0.00 N ATOM 1015 CA PHE A 71 5.788 4.508 -6.124 1.00 0.00 C ATOM 1016 C PHE A 71 7.140 4.582 -5.420 1.00 0.00 C ATOM 1017 O PHE A 71 7.618 3.591 -4.867 1.00 0.00 O ATOM 1018 CB PHE A 71 4.692 5.052 -5.205 1.00 0.00 C ATOM 1019 CG PHE A 71 4.426 4.183 -4.009 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.352 4.094 -2.982 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.251 3.455 -3.913 1.00 0.00 C ATOM 1022 CE1 PHE A 71 5.110 3.296 -1.880 1.00 0.00 C ATOM 1023 CE2 PHE A 71 3.004 2.656 -2.813 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.935 2.575 -1.796 1.00 0.00 C ATOM 0 H PHE A 71 6.006 2.426 -6.013 1.00 0.00 H new ATOM 0 HA PHE A 71 5.834 5.119 -7.026 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.976 6.048 -4.865 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.771 5.161 -5.777 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.273 4.655 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.520 3.513 -4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.839 3.236 -1.085 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.083 2.095 -2.749 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.745 1.949 -0.937 1.00 0.00 H new ATOM 1034 N ILE A 72 7.751 5.761 -5.447 1.00 0.00 N ATOM 1035 CA ILE A 72 9.046 5.965 -4.811 1.00 0.00 C ATOM 1036 C ILE A 72 9.000 7.130 -3.828 1.00 0.00 C ATOM 1037 O ILE A 72 8.539 8.226 -4.147 1.00 0.00 O ATOM 1038 CB ILE A 72 10.149 6.231 -5.853 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.486 4.945 -6.610 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.390 6.796 -5.179 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.245 5.183 -7.897 1.00 0.00 C ATOM 0 H ILE A 72 7.370 6.590 -5.903 1.00 0.00 H new ATOM 0 HA ILE A 72 9.280 5.047 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 72 9.782 6.967 -6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.077 4.297 -5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.562 4.413 -6.836 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.160 6.978 -5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.139 7.733 -4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.761 6.082 -4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.450 4.228 -8.380 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.647 5.806 -8.562 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.186 5.687 -7.677 1.00 0.00 H new ATOM 1053 N PRO A 73 9.490 6.890 -2.603 1.00 0.00 N ATOM 1054 CA PRO A 73 9.518 7.907 -1.548 1.00 0.00 C ATOM 1055 C PRO A 73 10.523 9.017 -1.839 1.00 0.00 C ATOM 1056 O PRO A 73 11.719 8.867 -1.586 1.00 0.00 O ATOM 1057 CB PRO A 73 9.938 7.118 -0.305 1.00 0.00 C ATOM 1058 CG PRO A 73 10.694 5.950 -0.836 1.00 0.00 C ATOM 1059 CD PRO A 73 10.055 5.606 -2.153 1.00 0.00 C ATOM 0 HA PRO A 73 8.558 8.413 -1.444 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.558 7.723 0.357 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.071 6.799 0.273 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.748 6.194 -0.966 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.645 5.107 -0.147 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.784 5.216 -2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.283 4.845 -2.039 1.00 0.00 H new ATOM 1067 N HIS A 74 10.030 10.130 -2.374 1.00 0.00 N ATOM 1068 CA HIS A 74 10.886 11.265 -2.698 1.00 0.00 C ATOM 1069 C HIS A 74 11.655 11.736 -1.468 1.00 0.00 C ATOM 1070 O HIS A 74 12.779 12.225 -1.577 1.00 0.00 O ATOM 1071 CB HIS A 74 10.051 12.415 -3.262 1.00 0.00 C ATOM 1072 CG HIS A 74 9.810 12.314 -4.737 1.00 0.00 C ATOM 1073 ND1 HIS A 74 9.244 11.207 -5.333 1.00 0.00 N ATOM 1074 CD2 HIS A 74 10.061 13.191 -5.737 1.00 0.00 C ATOM 1075 CE1 HIS A 74 9.159 11.406 -6.636 1.00 0.00 C ATOM 1076 NE2 HIS A 74 9.648 12.603 -6.907 1.00 0.00 N ATOM 0 H HIS A 74 9.043 10.270 -2.592 1.00 0.00 H new ATOM 0 HA HIS A 74 11.604 10.942 -3.452 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.091 12.443 -2.747 1.00 0.00 H new ATOM 0 HB3 HIS A 74 10.555 13.358 -3.048 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.939 10.366 -4.844 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.504 14.171 -5.634 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.758 10.709 -7.357 1.00 0.00 H new ATOM 1085 N GLU A 75 11.041 11.584 -0.298 1.00 0.00 N ATOM 1086 CA GLU A 75 11.669 11.995 0.952 1.00 0.00 C ATOM 1087 C GLU A 75 11.646 10.860 1.972 1.00 0.00 C ATOM 1088 O GLU A 75 11.176 9.761 1.681 1.00 0.00 O ATOM 1089 CB GLU A 75 10.960 13.224 1.525 1.00 0.00 C ATOM 1090 CG GLU A 75 10.440 14.177 0.462 1.00 0.00 C ATOM 1091 CD GLU A 75 10.374 15.612 0.947 1.00 0.00 C ATOM 1092 OE1 GLU A 75 10.019 15.824 2.126 1.00 0.00 O ATOM 1093 OE2 GLU A 75 10.677 16.524 0.149 1.00 0.00 O ATOM 0 H GLU A 75 10.111 11.180 -0.190 1.00 0.00 H new ATOM 0 HA GLU A 75 12.708 12.249 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.126 12.896 2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.650 13.761 2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.084 14.123 -0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.446 13.858 0.148 1.00 0.00 H new ATOM 1100 N ASN A 76 12.157 11.135 3.167 1.00 0.00 N ATOM 1101 CA ASN A 76 12.197 10.137 4.230 1.00 0.00 C ATOM 1102 C ASN A 76 11.010 10.302 5.175 1.00 0.00 C ATOM 1103 O ASN A 76 10.255 11.268 5.077 1.00 0.00 O ATOM 1104 CB ASN A 76 13.506 10.248 5.013 1.00 0.00 C ATOM 1105 CG ASN A 76 14.725 10.203 4.112 1.00 0.00 C ATOM 1106 OD1 ASN A 76 14.806 9.172 3.279 1.00 0.00 O flip ATOM 1107 ND2 ASN A 76 15.582 11.085 4.164 1.00 0.00 N flip ATOM 0 H ASN A 76 12.549 12.041 3.424 1.00 0.00 H new ATOM 0 HA ASN A 76 12.139 9.150 3.771 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.510 11.180 5.578 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.563 9.435 5.737 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.478 11.859 4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.396 11.042 3.551 1.00 0.00 H new ATOM 1114 N GLY A 77 10.853 9.351 6.091 1.00 0.00 N ATOM 1115 CA GLY A 77 9.758 9.409 7.041 1.00 0.00 C ATOM 1116 C GLY A 77 8.690 8.371 6.758 1.00 0.00 C ATOM 1117 O GLY A 77 8.891 7.468 5.947 1.00 0.00 O ATOM 0 H GLY A 77 11.465 8.541 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.147 9.261 8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.311 10.403 7.015 1.00 0.00 H new ATOM 1121 N VAL A 78 7.551 8.498 7.432 1.00 0.00 N ATOM 1122 CA VAL A 78 6.447 7.563 7.250 1.00 0.00 C ATOM 1123 C VAL A 78 5.371 8.152 6.346 1.00 0.00 C ATOM 1124 O VAL A 78 4.550 8.959 6.784 1.00 0.00 O ATOM 1125 CB VAL A 78 5.813 7.173 8.598 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.635 6.235 8.384 1.00 0.00 C ATOM 1127 CG2 VAL A 78 6.852 6.539 9.511 1.00 0.00 C ATOM 0 H VAL A 78 7.369 9.239 8.109 1.00 0.00 H new ATOM 0 HA VAL A 78 6.862 6.671 6.781 1.00 0.00 H new ATOM 0 HB VAL A 78 5.442 8.077 9.080 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.200 5.971 9.348 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.883 6.730 7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.977 5.331 7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.387 6.269 10.459 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.255 5.644 9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.659 7.249 9.692 1.00 0.00 H new ATOM 1137 N HIS A 79 5.378 7.743 5.081 1.00 0.00 N ATOM 1138 CA HIS A 79 4.401 8.230 4.114 1.00 0.00 C ATOM 1139 C HIS A 79 3.027 7.619 4.375 1.00 0.00 C ATOM 1140 O HIS A 79 2.920 6.504 4.885 1.00 0.00 O ATOM 1141 CB HIS A 79 4.854 7.904 2.690 1.00 0.00 C ATOM 1142 CG HIS A 79 6.059 8.680 2.253 1.00 0.00 C ATOM 1143 ND1 HIS A 79 7.137 8.924 3.077 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.352 9.267 1.069 1.00 0.00 C ATOM 1145 CE1 HIS A 79 8.041 9.628 2.420 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.589 9.849 1.199 1.00 0.00 N ATOM 0 H HIS A 79 6.050 7.075 4.702 1.00 0.00 H new ATOM 0 HA HIS A 79 4.326 9.312 4.225 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.074 6.839 2.622 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.033 8.105 2.001 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.729 9.276 0.187 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.988 9.965 2.814 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.079 10.368 0.470 1.00 0.00 H new ATOM 1155 N SER A 80 1.980 8.358 4.023 1.00 0.00 N ATOM 1156 CA SER A 80 0.613 7.891 4.223 1.00 0.00 C ATOM 1157 C SER A 80 0.026 7.353 2.922 1.00 0.00 C ATOM 1158 O SER A 80 -0.318 8.119 2.021 1.00 0.00 O ATOM 1159 CB SER A 80 -0.262 9.024 4.761 1.00 0.00 C ATOM 1160 OG SER A 80 -0.218 9.075 6.176 1.00 0.00 O ATOM 0 H SER A 80 2.052 9.282 3.598 1.00 0.00 H new ATOM 0 HA SER A 80 0.635 7.081 4.952 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.075 9.975 4.349 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.291 8.881 4.431 1.00 0.00 H new ATOM 0 HG SER A 80 -0.784 9.809 6.495 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.085 6.032 2.831 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.631 5.392 1.641 1.00 0.00 C ATOM 1168 C ILE A 81 -2.152 5.304 1.713 1.00 0.00 C ATOM 1169 O ILE A 81 -2.704 4.543 2.507 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.055 3.976 1.449 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.440 3.962 1.773 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.299 3.493 0.027 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.295 4.617 0.711 1.00 0.00 C ATOM 0 H ILE A 81 0.196 5.384 3.567 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.345 6.011 0.790 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.563 3.297 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.602 4.471 2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.765 2.930 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.114 2.491 -0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.371 3.470 -0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.185 4.171 -0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.343 4.570 1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.162 4.094 -0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.997 5.659 0.595 1.00 0.00 H new ATOM 1185 N ASP A 82 -2.824 6.088 0.876 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.281 6.097 0.841 1.00 0.00 C ATOM 1187 C ASP A 82 -4.811 4.998 -0.075 1.00 0.00 C ATOM 1188 O ASP A 82 -4.650 5.061 -1.294 1.00 0.00 O ATOM 1189 CB ASP A 82 -4.793 7.460 0.372 1.00 0.00 C ATOM 1190 CG ASP A 82 -6.225 7.402 -0.123 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -7.092 6.912 0.630 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -6.478 7.845 -1.263 1.00 0.00 O ATOM 0 H ASP A 82 -2.382 6.725 0.213 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.644 5.909 1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.724 8.173 1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.150 7.831 -0.426 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.441 3.991 0.521 1.00 0.00 N ATOM 1198 CA VAL A 83 -5.994 2.877 -0.241 1.00 0.00 C ATOM 1199 C VAL A 83 -7.514 2.833 -0.125 1.00 0.00 C ATOM 1200 O VAL A 83 -8.058 2.425 0.901 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.415 1.531 0.232 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.048 0.379 -0.533 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -3.902 1.518 0.075 1.00 0.00 C ATOM 0 H VAL A 83 -5.581 3.923 1.529 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.716 3.037 -1.283 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.649 1.406 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.626 -0.564 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.125 0.379 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.847 0.495 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.509 0.559 0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.644 1.666 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.467 2.320 0.672 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.195 3.255 -1.185 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.653 3.262 -1.205 1.00 0.00 C ATOM 1215 C LYS A 84 -10.189 2.209 -2.169 1.00 0.00 C ATOM 1216 O LYS A 84 -9.537 1.865 -3.155 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.171 4.646 -1.605 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.272 5.617 -0.442 1.00 0.00 C ATOM 1219 CD LYS A 84 -11.365 6.647 -0.670 1.00 0.00 C ATOM 1220 CE LYS A 84 -10.871 7.805 -1.524 1.00 0.00 C ATOM 1221 NZ LYS A 84 -10.220 8.862 -0.702 1.00 0.00 N ATOM 0 H LYS A 84 -7.760 3.597 -2.042 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.007 3.024 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.510 5.067 -2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.154 4.538 -2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.475 5.066 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.316 6.123 -0.305 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.217 6.173 -1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.716 7.025 0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.163 7.434 -2.265 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.709 8.236 -2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.897 9.633 -1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.903 9.235 -0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.405 8.458 -0.199 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.382 1.700 -1.878 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.006 0.685 -2.719 1.00 0.00 C ATOM 1237 C PHE A 85 -13.444 1.068 -3.056 1.00 0.00 C ATOM 1238 O PHE A 85 -14.323 1.041 -2.195 1.00 0.00 O ATOM 1239 CB PHE A 85 -11.979 -0.675 -2.020 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.217 -1.832 -2.948 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.432 -2.004 -4.077 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -13.226 -2.746 -2.693 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -11.648 -3.067 -4.933 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -13.447 -3.811 -3.545 1.00 0.00 C ATOM 1245 CZ PHE A 85 -12.658 -3.971 -4.667 1.00 0.00 C ATOM 0 H PHE A 85 -11.936 1.974 -1.066 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.439 0.619 -3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.013 -0.804 -1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.736 -0.687 -1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.642 -1.299 -4.290 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.847 -2.625 -1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.028 -3.191 -5.809 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.236 -4.518 -3.334 1.00 0.00 H new ATOM 0 HZ PHE A 85 -12.830 -4.802 -5.335 1.00 0.00 H new ATOM 1255 N ASN A 86 -13.676 1.425 -4.315 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.007 1.814 -4.767 1.00 0.00 C ATOM 1257 C ASN A 86 -15.690 2.709 -3.738 1.00 0.00 C ATOM 1258 O ASN A 86 -16.810 2.436 -3.308 1.00 0.00 O ATOM 1259 CB ASN A 86 -15.863 0.573 -5.029 1.00 0.00 C ATOM 1260 CG ASN A 86 -16.912 0.810 -6.098 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -17.479 1.898 -6.197 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -17.175 -0.212 -6.905 1.00 0.00 N ATOM 0 H ASN A 86 -12.960 1.453 -5.040 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.899 2.374 -5.696 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.219 -0.252 -5.333 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.353 0.271 -4.103 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.872 -0.113 -7.643 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.680 -1.096 -6.786 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.007 3.781 -3.347 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.563 4.700 -2.371 1.00 0.00 C ATOM 1271 C GLY A 87 -15.679 4.082 -0.992 1.00 0.00 C ATOM 1272 O GLY A 87 -16.753 4.083 -0.392 1.00 0.00 O ATOM 0 H GLY A 87 -14.079 4.029 -3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.935 5.589 -2.315 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.549 5.026 -2.704 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.569 3.552 -0.488 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.551 2.928 0.829 1.00 0.00 C ATOM 1278 C ALA A 88 -13.123 2.759 1.336 1.00 0.00 C ATOM 1279 O ALA A 88 -12.290 2.132 0.681 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.260 1.583 0.786 1.00 0.00 C ATOM 0 H ALA A 88 -13.671 3.542 -0.972 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.080 3.583 1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.239 1.129 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.295 1.727 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.755 0.928 0.076 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.845 3.324 2.507 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.516 3.236 3.102 1.00 0.00 C ATOM 1288 C HIS A 89 -11.296 1.868 3.741 1.00 0.00 C ATOM 1289 O HIS A 89 -12.053 1.454 4.619 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.328 4.335 4.148 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.764 5.605 3.588 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.417 5.901 3.606 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.372 6.656 2.991 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.221 7.081 3.045 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.391 7.560 2.663 1.00 0.00 N ATOM 0 H HIS A 89 -13.522 3.847 3.062 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.781 3.370 2.308 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.289 4.549 4.615 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.667 3.969 4.933 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.431 6.764 2.807 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.266 7.571 2.920 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -10.542 8.456 2.200 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.258 1.171 3.292 1.00 0.00 N ATOM 1305 CA ILE A 90 -9.939 -0.150 3.820 1.00 0.00 C ATOM 1306 C ILE A 90 -9.486 -0.066 5.273 1.00 0.00 C ATOM 1307 O ILE A 90 -8.926 0.936 5.719 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.839 -0.838 2.990 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.502 -0.119 3.179 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.227 -0.868 1.519 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.300 -1.005 2.936 1.00 0.00 C ATOM 0 H ILE A 90 -9.623 1.499 2.564 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.852 -0.743 3.760 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.730 -1.865 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.458 0.733 2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.452 0.277 4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.440 -1.357 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.159 -1.420 1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.360 0.151 1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.387 -0.429 3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.320 -1.844 3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.326 -1.381 1.913 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.730 -1.145 6.032 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.352 -1.220 7.447 1.00 0.00 C ATOM 1325 C PRO A 91 -7.842 -1.304 7.640 1.00 0.00 C ATOM 1326 O PRO A 91 -7.236 -2.351 7.419 1.00 0.00 O ATOM 1327 CB PRO A 91 -10.026 -2.508 7.926 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.168 -3.341 6.699 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.392 -2.375 5.568 1.00 0.00 C ATOM 0 HA PRO A 91 -9.659 -0.332 7.999 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.423 -3.014 8.680 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.996 -2.302 8.379 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.274 -3.941 6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.004 -4.034 6.792 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -9.957 -2.739 4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.454 -2.214 5.382 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.240 -0.193 8.055 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.806 -0.164 8.272 1.00 0.00 C ATOM 1339 C GLY A 92 -5.132 0.981 7.541 1.00 0.00 C ATOM 1340 O GLY A 92 -3.991 1.331 7.840 1.00 0.00 O ATOM 0 H GLY A 92 -7.720 0.687 8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.605 -0.078 9.340 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.372 -1.108 7.941 1.00 0.00 H new ATOM 1344 N SER A 93 -5.840 1.565 6.580 1.00 0.00 N ATOM 1345 CA SER A 93 -5.302 2.674 5.800 1.00 0.00 C ATOM 1346 C SER A 93 -5.592 4.008 6.481 1.00 0.00 C ATOM 1347 O SER A 93 -6.561 4.156 7.226 1.00 0.00 O ATOM 1348 CB SER A 93 -5.895 2.668 4.390 1.00 0.00 C ATOM 1349 OG SER A 93 -5.999 3.984 3.875 1.00 0.00 O ATOM 0 H SER A 93 -6.788 1.289 6.323 1.00 0.00 H new ATOM 0 HA SER A 93 -4.221 2.548 5.732 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.270 2.065 3.732 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.880 2.202 4.408 1.00 0.00 H new ATOM 0 HG SER A 93 -6.756 4.034 3.255 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.733 5.004 6.220 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.575 4.839 5.335 1.00 0.00 C ATOM 1357 C PRO A 94 -2.503 3.941 5.944 1.00 0.00 C ATOM 1358 O PRO A 94 -2.287 3.951 7.156 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.048 6.266 5.171 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.502 6.981 6.397 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.824 6.367 6.769 1.00 0.00 C ATOM 0 HA PRO A 94 -3.846 4.360 4.394 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -1.962 6.279 5.085 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.445 6.734 4.270 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.779 6.869 7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.607 8.050 6.209 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.973 6.356 7.849 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.659 6.919 6.338 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.835 3.167 5.096 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.785 2.263 5.551 1.00 0.00 C ATOM 1371 C PHE A 95 0.503 3.027 5.841 1.00 0.00 C ATOM 1372 O PHE A 95 1.153 3.541 4.929 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.524 1.181 4.501 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.567 0.100 4.483 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.830 -0.646 5.621 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.283 -0.171 3.328 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.789 -1.642 5.607 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.243 -1.165 3.309 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.496 -1.902 4.450 1.00 0.00 C ATOM 0 H PHE A 95 -2.002 3.147 4.090 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.122 1.791 6.474 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.476 1.646 3.516 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.451 0.731 4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.280 -0.447 6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.089 0.401 2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.985 -2.216 6.501 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.795 -1.366 2.403 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.245 -2.680 4.437 1.00 0.00 H new ATOM 1389 N LYS A 96 0.867 3.099 7.117 1.00 0.00 N ATOM 1390 CA LYS A 96 2.078 3.799 7.529 1.00 0.00 C ATOM 1391 C LYS A 96 3.319 2.964 7.230 1.00 0.00 C ATOM 1392 O LYS A 96 3.608 1.993 7.930 1.00 0.00 O ATOM 1393 CB LYS A 96 2.018 4.127 9.023 1.00 0.00 C ATOM 1394 CG LYS A 96 0.757 4.866 9.434 1.00 0.00 C ATOM 1395 CD LYS A 96 0.890 6.363 9.210 1.00 0.00 C ATOM 1396 CE LYS A 96 -0.228 7.131 9.897 1.00 0.00 C ATOM 1397 NZ LYS A 96 -0.004 8.603 9.846 1.00 0.00 N ATOM 0 H LYS A 96 0.340 2.681 7.884 1.00 0.00 H new ATOM 0 HA LYS A 96 2.142 4.727 6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.088 3.200 9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.886 4.731 9.289 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.091 4.486 8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.547 4.672 10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.853 6.704 9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.875 6.575 8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.179 6.892 9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.303 6.811 10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.788 9.090 10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.891 8.835 10.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.042 8.913 8.854 1.00 0.00 H new ATOM 1411 N ILE A 97 4.048 3.349 6.188 1.00 0.00 N ATOM 1412 CA ILE A 97 5.259 2.636 5.799 1.00 0.00 C ATOM 1413 C ILE A 97 6.504 3.459 6.110 1.00 0.00 C ATOM 1414 O ILE A 97 6.567 4.650 5.805 1.00 0.00 O ATOM 1415 CB ILE A 97 5.249 2.287 4.299 1.00 0.00 C ATOM 1416 CG1 ILE A 97 5.026 3.548 3.461 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.175 1.252 4.003 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.257 3.339 1.981 1.00 0.00 C ATOM 0 H ILE A 97 3.822 4.150 5.598 1.00 0.00 H new ATOM 0 HA ILE A 97 5.282 1.713 6.378 1.00 0.00 H new ATOM 0 HB ILE A 97 6.218 1.863 4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.006 3.901 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.692 4.334 3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.181 1.016 2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.374 0.347 4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.199 1.650 4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.081 4.274 1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.285 3.016 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.572 2.576 1.610 1.00 0.00 H new ATOM 1430 N ARG A 98 7.496 2.815 6.717 1.00 0.00 N ATOM 1431 CA ARG A 98 8.741 3.486 7.069 1.00 0.00 C ATOM 1432 C ARG A 98 9.720 3.463 5.900 1.00 0.00 C ATOM 1433 O ARG A 98 9.883 2.441 5.233 1.00 0.00 O ATOM 1434 CB ARG A 98 9.375 2.822 8.293 1.00 0.00 C ATOM 1435 CG ARG A 98 10.210 3.771 9.137 1.00 0.00 C ATOM 1436 CD ARG A 98 10.832 3.058 10.327 1.00 0.00 C ATOM 1437 NE ARG A 98 11.885 3.854 10.953 1.00 0.00 N ATOM 1438 CZ ARG A 98 13.099 4.004 10.434 1.00 0.00 C ATOM 1439 NH1 ARG A 98 13.410 3.417 9.287 1.00 0.00 N ATOM 1440 NH2 ARG A 98 14.003 4.743 11.063 1.00 0.00 N ATOM 0 H ARG A 98 7.461 1.829 6.975 1.00 0.00 H new ATOM 0 HA ARG A 98 8.510 4.524 7.307 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.587 2.395 8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.003 1.995 7.962 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.996 4.210 8.523 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.585 4.592 9.489 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.058 2.838 11.063 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.244 2.103 10.002 1.00 0.00 H new ATOM 0 HE ARG A 98 11.677 4.320 11.836 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.717 2.849 8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.343 3.534 8.891 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.766 5.196 11.946 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.935 4.858 10.664 1.00 0.00 H new ATOM 1454 N VAL A 99 10.370 4.597 5.656 1.00 0.00 N ATOM 1455 CA VAL A 99 11.334 4.707 4.568 1.00 0.00 C ATOM 1456 C VAL A 99 12.706 5.121 5.088 1.00 0.00 C ATOM 1457 O VAL A 99 12.889 6.242 5.563 1.00 0.00 O ATOM 1458 CB VAL A 99 10.870 5.724 3.508 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.958 5.945 2.468 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.581 5.257 2.851 1.00 0.00 C ATOM 0 H VAL A 99 10.246 5.452 6.198 1.00 0.00 H new ATOM 0 HA VAL A 99 11.406 3.721 4.108 1.00 0.00 H new ATOM 0 HB VAL A 99 10.675 6.675 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.612 6.666 1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.855 6.327 2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.187 5.000 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.268 5.987 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.747 4.294 2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.803 5.155 3.608 1.00 0.00 H new