USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=29 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+ 151:sc= 1.32 (180deg=-1.14!) USER MOD Set 1.2: A 98 SER OG : rot 57:sc= 2.04 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 143:sc= 1.46 (180deg=0.586) USER MOD Set 2.2: A 69 TYR OH : rot 157:sc= 1.28 USER MOD Set 3.1: A 39 SER OG : rot 63:sc= 1.24 USER MOD Set 3.2: A 63 SER OG : rot -44:sc= 2.15 USER MOD Set 3.3: A 65 THR OG1 : rot 107:sc= 2 USER MOD Set 4.1: A 32 LYS NZ :NH3+ -170:sc= 1.17 (180deg=-0.0112) USER MOD Set 4.2: A 36 GLN : amide:sc= 1.17 K(o=2.3,f=-8.3!) USER MOD Set 5.1: A 30 THR OG1 : rot 128:sc= 1.2 USER MOD Set 5.2: A 91 SER OG : rot -31:sc= 0.649! USER MOD Set 6.1: A 24 THR OG1 : rot 169:sc= 1.07 USER MOD Set 6.2: A 33 SER OG : rot 71:sc= 1.79 USER MOD Single : A 9 SER OG : rot 35:sc= 0.164 USER MOD Single : A 11 ASN : amide:sc=-0.00664 X(o=-0.0066,f=-0.0066) USER MOD Single : A 12 GLN : amide:sc= -1 X(o=-1,f=-1.2) USER MOD Single : A 19 LYS NZ :NH3+ -146:sc= 0.981 (180deg=-0.264) USER MOD Single : A 20 SER OG : rot -62:sc= 1.04 USER MOD Single : A 22 LYS NZ :NH3+ -154:sc= 1.25 (180deg=1.11) USER MOD Single : A 23 TYR OH : rot -167:sc= 1.23 USER MOD Single : A 27 TYR OH : rot -156:sc= 1.79 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 148:sc= 1.27 USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 3.23 (180deg=3.08) USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= 2.4 (180deg=2.13) USER MOD Single : A 47 ASN : amide:sc=0.000689 K(o=0.00069,f=-0.59) USER MOD Single : A 48 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 54 SER OG : rot -34:sc= 1.18 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 124:sc= 1.6 USER MOD Single : A 61 MET CE :methyl 169:sc=-0.00874 (180deg=-0.16) USER MOD Single : A 64 LYS NZ :NH3+ 153:sc= 1.65 (180deg=0.648) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 9 9.754 7.517 -24.340 1.00 0.00 N ATOM 109 CA SER A 9 8.902 7.209 -25.492 1.00 0.00 C ATOM 110 C SER A 9 7.602 6.518 -25.086 1.00 0.00 C ATOM 111 O SER A 9 6.545 6.836 -25.636 1.00 0.00 O ATOM 112 CB SER A 9 9.654 6.295 -26.469 1.00 0.00 C ATOM 113 OG SER A 9 10.912 6.840 -26.806 1.00 0.00 O ATOM 0 HA SER A 9 8.652 8.160 -25.963 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.789 5.310 -26.021 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.060 6.156 -27.372 1.00 0.00 H new ATOM 0 HG SER A 9 11.288 7.301 -26.027 1.00 0.00 H new ATOM 119 N ILE A 10 7.665 5.587 -24.118 1.00 0.00 N ATOM 120 CA ILE A 10 6.496 4.814 -23.662 1.00 0.00 C ATOM 121 C ILE A 10 5.403 5.788 -23.178 1.00 0.00 C ATOM 122 O ILE A 10 4.232 5.589 -23.482 1.00 0.00 O ATOM 123 CB ILE A 10 6.936 3.768 -22.598 1.00 0.00 C ATOM 124 CG1 ILE A 10 6.099 2.470 -22.514 1.00 0.00 C ATOM 125 CG2 ILE A 10 7.011 4.379 -21.194 1.00 0.00 C ATOM 126 CD1 ILE A 10 4.674 2.562 -21.962 1.00 0.00 C ATOM 0 H ILE A 10 8.528 5.349 -23.629 1.00 0.00 H new ATOM 0 HA ILE A 10 6.060 4.240 -24.479 1.00 0.00 H new ATOM 0 HB ILE A 10 7.921 3.474 -22.961 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.041 2.046 -23.516 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.649 1.758 -21.898 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.322 3.615 -20.481 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.734 5.195 -21.190 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.031 4.762 -20.911 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.218 1.572 -21.966 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.703 2.944 -20.941 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.085 3.236 -22.585 1.00 0.00 H new ATOM 138 N ASN A 11 5.796 6.890 -22.514 1.00 0.00 N ATOM 139 CA ASN A 11 4.916 7.956 -22.029 1.00 0.00 C ATOM 140 C ASN A 11 4.047 8.546 -23.151 1.00 0.00 C ATOM 141 O ASN A 11 2.840 8.685 -22.967 1.00 0.00 O ATOM 142 CB ASN A 11 5.754 9.011 -21.265 1.00 0.00 C ATOM 143 CG ASN A 11 5.669 10.431 -21.809 1.00 0.00 C ATOM 144 OD1 ASN A 11 4.755 11.176 -21.493 1.00 0.00 O ATOM 145 ND2 ASN A 11 6.598 10.845 -22.646 1.00 0.00 N ATOM 0 H ASN A 11 6.777 7.064 -22.294 1.00 0.00 H new ATOM 0 HA ASN A 11 4.199 7.537 -21.323 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.434 9.019 -20.223 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.798 8.698 -21.275 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.554 11.789 -23.031 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.361 10.222 -22.910 1.00 0.00 H new ATOM 152 N GLN A 12 4.643 8.854 -24.312 1.00 0.00 N ATOM 153 CA GLN A 12 3.942 9.429 -25.459 1.00 0.00 C ATOM 154 C GLN A 12 2.900 8.438 -25.986 1.00 0.00 C ATOM 155 O GLN A 12 1.717 8.778 -26.073 1.00 0.00 O ATOM 156 CB GLN A 12 4.972 9.838 -26.532 1.00 0.00 C ATOM 157 CG GLN A 12 4.392 10.688 -27.677 1.00 0.00 C ATOM 158 CD GLN A 12 3.467 9.930 -28.631 1.00 0.00 C ATOM 159 OE1 GLN A 12 3.706 8.795 -29.012 1.00 0.00 O ATOM 160 NE2 GLN A 12 2.373 10.529 -29.057 1.00 0.00 N ATOM 0 H GLN A 12 5.639 8.707 -24.478 1.00 0.00 H new ATOM 0 HA GLN A 12 3.401 10.328 -25.163 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.776 10.396 -26.053 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.417 8.937 -26.954 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.841 11.525 -27.247 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.217 11.110 -28.251 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.158 11.477 -28.749 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.742 10.044 -29.695 1.00 0.00 H new ATOM 169 N LYS A 13 3.332 7.208 -26.297 1.00 0.00 N ATOM 170 CA LYS A 13 2.465 6.146 -26.821 1.00 0.00 C ATOM 171 C LYS A 13 1.331 5.814 -25.844 1.00 0.00 C ATOM 172 O LYS A 13 0.180 5.672 -26.254 1.00 0.00 O ATOM 173 CB LYS A 13 3.330 4.922 -27.155 1.00 0.00 C ATOM 174 CG LYS A 13 2.565 3.861 -27.962 1.00 0.00 C ATOM 175 CD LYS A 13 3.495 2.689 -28.308 1.00 0.00 C ATOM 176 CE LYS A 13 2.755 1.520 -28.968 1.00 0.00 C ATOM 177 NZ LYS A 13 2.167 1.875 -30.276 1.00 0.00 N ATOM 0 H LYS A 13 4.305 6.920 -26.190 1.00 0.00 H new ATOM 0 HA LYS A 13 1.978 6.487 -27.734 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.204 5.243 -27.721 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.695 4.476 -26.230 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.712 3.501 -27.387 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.169 4.304 -28.876 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.281 3.040 -28.977 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.983 2.338 -27.399 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.446 0.688 -29.100 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.964 1.175 -28.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.126 1.029 -30.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.206 2.247 -30.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.755 2.600 -30.736 1.00 0.00 H new ATOM 191 N LEU A 14 1.644 5.732 -24.548 1.00 0.00 N ATOM 192 CA LEU A 14 0.670 5.499 -23.491 1.00 0.00 C ATOM 193 C LEU A 14 -0.305 6.674 -23.348 1.00 0.00 C ATOM 194 O LEU A 14 -1.504 6.436 -23.364 1.00 0.00 O ATOM 195 CB LEU A 14 1.398 5.135 -22.190 1.00 0.00 C ATOM 196 CG LEU A 14 0.450 4.528 -21.138 1.00 0.00 C ATOM 197 CD1 LEU A 14 1.159 3.413 -20.374 1.00 0.00 C ATOM 198 CD2 LEU A 14 -0.029 5.580 -20.142 1.00 0.00 C ATOM 0 H LEU A 14 2.599 5.828 -24.203 1.00 0.00 H new ATOM 0 HA LEU A 14 0.043 4.648 -23.757 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.196 4.425 -22.409 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.870 6.027 -21.779 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.414 4.130 -21.669 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.480 2.991 -19.633 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.466 2.633 -21.071 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.038 3.818 -19.872 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.696 5.116 -19.415 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.829 6.009 -19.625 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.563 6.367 -20.673 1.00 0.00 H new ATOM 210 N ALA A 15 0.150 7.930 -23.254 1.00 0.00 N ATOM 211 CA ALA A 15 -0.759 9.078 -23.171 1.00 0.00 C ATOM 212 C ALA A 15 -1.652 9.213 -24.420 1.00 0.00 C ATOM 213 O ALA A 15 -2.837 9.523 -24.299 1.00 0.00 O ATOM 214 CB ALA A 15 0.040 10.365 -22.949 1.00 0.00 C ATOM 0 H ALA A 15 1.140 8.176 -23.234 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.420 8.907 -22.322 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.644 11.212 -22.889 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.604 10.287 -22.020 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.729 10.513 -23.780 1.00 0.00 H new ATOM 220 N LEU A 16 -1.105 8.924 -25.612 1.00 0.00 N ATOM 221 CA LEU A 16 -1.873 8.788 -26.850 1.00 0.00 C ATOM 222 C LEU A 16 -2.983 7.743 -26.699 1.00 0.00 C ATOM 223 O LEU A 16 -4.101 8.014 -27.123 1.00 0.00 O ATOM 224 CB LEU A 16 -0.901 8.494 -28.012 1.00 0.00 C ATOM 225 CG LEU A 16 -1.552 8.199 -29.380 1.00 0.00 C ATOM 226 CD1 LEU A 16 -0.557 8.525 -30.498 1.00 0.00 C ATOM 227 CD2 LEU A 16 -1.935 6.724 -29.566 1.00 0.00 C ATOM 0 H LEU A 16 -0.104 8.777 -25.739 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.388 9.721 -27.079 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.234 9.348 -28.126 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.282 7.641 -27.735 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.454 8.810 -29.419 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.015 8.317 -31.465 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.283 9.579 -30.445 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.336 7.911 -30.380 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.387 6.587 -30.548 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.042 6.104 -29.487 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.648 6.433 -28.794 1.00 0.00 H new ATOM 239 N VAL A 17 -2.697 6.582 -26.101 1.00 0.00 N ATOM 240 CA VAL A 17 -3.685 5.541 -25.778 1.00 0.00 C ATOM 241 C VAL A 17 -4.718 6.003 -24.742 1.00 0.00 C ATOM 242 O VAL A 17 -5.915 5.838 -24.965 1.00 0.00 O ATOM 243 CB VAL A 17 -2.947 4.249 -25.366 1.00 0.00 C ATOM 244 CG1 VAL A 17 -3.757 3.291 -24.485 1.00 0.00 C ATOM 245 CG2 VAL A 17 -2.505 3.540 -26.648 1.00 0.00 C ATOM 0 H VAL A 17 -1.749 6.331 -25.820 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.273 5.329 -26.671 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.103 4.545 -24.743 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.153 2.415 -24.249 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.039 3.796 -23.561 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.656 2.980 -25.017 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.979 2.620 -26.392 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.380 3.301 -27.252 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.841 4.193 -27.214 1.00 0.00 H new ATOM 255 N ILE A 18 -4.277 6.609 -23.633 1.00 0.00 N ATOM 256 CA ILE A 18 -5.098 7.093 -22.506 1.00 0.00 C ATOM 257 C ILE A 18 -6.272 7.982 -22.950 1.00 0.00 C ATOM 258 O ILE A 18 -7.308 7.981 -22.289 1.00 0.00 O ATOM 259 CB ILE A 18 -4.180 7.821 -21.497 1.00 0.00 C ATOM 260 CG1 ILE A 18 -3.234 6.847 -20.759 1.00 0.00 C ATOM 261 CG2 ILE A 18 -4.960 8.659 -20.478 1.00 0.00 C ATOM 262 CD1 ILE A 18 -3.832 6.085 -19.582 1.00 0.00 C ATOM 0 H ILE A 18 -3.284 6.787 -23.485 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.561 6.230 -22.028 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.578 8.502 -22.099 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.859 6.122 -21.481 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.374 7.412 -20.399 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.262 9.146 -19.797 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.544 9.416 -21.001 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.629 8.012 -19.911 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.073 5.435 -19.146 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.179 6.793 -18.829 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.672 5.482 -19.928 1.00 0.00 H new ATOM 274 N LYS A 19 -6.150 8.701 -24.077 1.00 0.00 N ATOM 275 CA LYS A 19 -7.229 9.540 -24.622 1.00 0.00 C ATOM 276 C LYS A 19 -8.529 8.771 -24.920 1.00 0.00 C ATOM 277 O LYS A 19 -9.591 9.386 -24.939 1.00 0.00 O ATOM 278 CB LYS A 19 -6.726 10.314 -25.850 1.00 0.00 C ATOM 279 CG LYS A 19 -6.909 9.572 -27.184 1.00 0.00 C ATOM 280 CD LYS A 19 -6.131 10.268 -28.311 1.00 0.00 C ATOM 281 CE LYS A 19 -6.149 9.467 -29.619 1.00 0.00 C ATOM 282 NZ LYS A 19 -5.567 8.123 -29.419 1.00 0.00 N ATOM 0 H LYS A 19 -5.298 8.717 -24.637 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.500 10.250 -23.841 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.250 11.268 -25.903 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.668 10.539 -25.715 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.566 8.543 -27.082 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.968 9.531 -27.439 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.558 11.255 -28.487 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.099 10.419 -27.996 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.173 9.375 -29.980 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.588 10.001 -30.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.066 7.830 -30.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.899 8.149 -28.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.326 7.443 -29.212 1.00 0.00 H new ATOM 296 N SER A 20 -8.442 7.455 -25.153 1.00 0.00 N ATOM 297 CA SER A 20 -9.621 6.592 -25.349 1.00 0.00 C ATOM 298 C SER A 20 -9.554 5.192 -24.709 1.00 0.00 C ATOM 299 O SER A 20 -10.599 4.571 -24.520 1.00 0.00 O ATOM 300 CB SER A 20 -9.953 6.494 -26.844 1.00 0.00 C ATOM 301 OG SER A 20 -9.174 5.520 -27.503 1.00 0.00 O ATOM 0 H SER A 20 -7.554 6.956 -25.211 1.00 0.00 H new ATOM 0 HA SER A 20 -10.424 7.088 -24.803 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.009 6.253 -26.964 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.792 7.464 -27.314 1.00 0.00 H new ATOM 0 HG SER A 20 -8.226 5.761 -27.440 1.00 0.00 H new ATOM 307 N GLY A 21 -8.369 4.694 -24.333 1.00 0.00 N ATOM 308 CA GLY A 21 -8.186 3.369 -23.744 1.00 0.00 C ATOM 309 C GLY A 21 -8.475 3.317 -22.239 1.00 0.00 C ATOM 310 O GLY A 21 -8.214 4.271 -21.507 1.00 0.00 O ATOM 0 H GLY A 21 -7.497 5.213 -24.433 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.839 2.661 -24.255 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.161 3.042 -23.920 1.00 0.00 H new ATOM 314 N LYS A 22 -8.967 2.167 -21.758 1.00 0.00 N ATOM 315 CA LYS A 22 -9.352 1.955 -20.355 1.00 0.00 C ATOM 316 C LYS A 22 -8.132 1.696 -19.470 1.00 0.00 C ATOM 317 O LYS A 22 -7.489 0.648 -19.596 1.00 0.00 O ATOM 318 CB LYS A 22 -10.331 0.780 -20.217 1.00 0.00 C ATOM 319 CG LYS A 22 -11.650 0.992 -20.974 1.00 0.00 C ATOM 320 CD LYS A 22 -12.626 -0.128 -20.601 1.00 0.00 C ATOM 321 CE LYS A 22 -13.795 -0.203 -21.587 1.00 0.00 C ATOM 322 NZ LYS A 22 -14.570 -1.448 -21.380 1.00 0.00 N ATOM 0 H LYS A 22 -9.111 1.344 -22.343 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.841 2.871 -20.024 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.852 -0.127 -20.584 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.549 0.620 -19.161 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.077 1.963 -20.722 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.471 0.992 -22.049 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.099 -1.082 -20.586 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.008 0.041 -19.594 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.445 0.663 -21.456 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.419 -0.168 -22.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.046 -1.712 -22.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.927 -2.213 -21.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.282 -1.294 -20.638 1.00 0.00 H new ATOM 336 N TYR A 23 -7.849 2.634 -18.558 1.00 0.00 N ATOM 337 CA TYR A 23 -6.780 2.534 -17.566 1.00 0.00 C ATOM 338 C TYR A 23 -7.255 2.574 -16.103 1.00 0.00 C ATOM 339 O TYR A 23 -8.406 2.889 -15.810 1.00 0.00 O ATOM 340 CB TYR A 23 -5.757 3.636 -17.856 1.00 0.00 C ATOM 341 CG TYR A 23 -6.196 5.067 -17.588 1.00 0.00 C ATOM 342 CD1 TYR A 23 -7.058 5.737 -18.482 1.00 0.00 C ATOM 343 CD2 TYR A 23 -5.622 5.774 -16.516 1.00 0.00 C ATOM 344 CE1 TYR A 23 -7.323 7.109 -18.322 1.00 0.00 C ATOM 345 CE2 TYR A 23 -5.858 7.154 -16.376 1.00 0.00 C ATOM 346 CZ TYR A 23 -6.687 7.834 -17.290 1.00 0.00 C ATOM 347 OH TYR A 23 -6.800 9.190 -17.220 1.00 0.00 O ATOM 0 H TYR A 23 -8.374 3.506 -18.491 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.329 1.547 -17.666 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.866 3.437 -17.261 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.465 3.561 -18.903 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.517 5.193 -19.294 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.000 5.257 -15.800 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.012 7.608 -18.988 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -5.400 7.696 -15.562 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.142 9.541 -16.584 1.00 0.00 H new ATOM 357 N THR A 24 -6.333 2.261 -15.186 1.00 0.00 N ATOM 358 CA THR A 24 -6.501 2.246 -13.723 1.00 0.00 C ATOM 359 C THR A 24 -5.230 2.796 -13.048 1.00 0.00 C ATOM 360 O THR A 24 -4.136 2.625 -13.593 1.00 0.00 O ATOM 361 CB THR A 24 -6.847 0.811 -13.278 1.00 0.00 C ATOM 362 OG1 THR A 24 -7.199 0.741 -11.920 1.00 0.00 O ATOM 363 CG2 THR A 24 -5.720 -0.196 -13.513 1.00 0.00 C ATOM 0 H THR A 24 -5.388 1.994 -15.460 1.00 0.00 H new ATOM 0 HA THR A 24 -7.322 2.894 -13.417 1.00 0.00 H new ATOM 0 HB THR A 24 -7.697 0.545 -13.906 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.584 -0.139 -11.727 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.037 -1.183 -13.175 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.483 -0.235 -14.576 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.835 0.111 -12.955 1.00 0.00 H new ATOM 371 N LEU A 25 -5.363 3.472 -11.892 1.00 0.00 N ATOM 372 CA LEU A 25 -4.292 4.262 -11.252 1.00 0.00 C ATOM 373 C LEU A 25 -4.181 4.050 -9.737 1.00 0.00 C ATOM 374 O LEU A 25 -5.159 4.214 -9.006 1.00 0.00 O ATOM 375 CB LEU A 25 -4.519 5.771 -11.477 1.00 0.00 C ATOM 376 CG LEU A 25 -4.404 6.292 -12.915 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.490 7.821 -12.895 1.00 0.00 C ATOM 378 CD2 LEU A 25 -3.073 5.916 -13.555 1.00 0.00 C ATOM 0 H LEU A 25 -6.236 3.485 -11.365 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.373 3.911 -11.721 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.513 6.022 -11.106 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.802 6.315 -10.862 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.212 5.843 -13.493 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.409 8.203 -13.913 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.445 8.126 -12.467 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.677 8.223 -12.291 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.036 6.305 -14.572 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.256 6.342 -12.973 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.974 4.831 -13.578 1.00 0.00 H new ATOM 390 N GLY A 26 -2.957 3.789 -9.265 1.00 0.00 N ATOM 391 CA GLY A 26 -2.625 3.658 -7.846 1.00 0.00 C ATOM 392 C GLY A 26 -2.838 2.239 -7.312 1.00 0.00 C ATOM 393 O GLY A 26 -3.633 1.472 -7.855 1.00 0.00 O ATOM 0 H GLY A 26 -2.151 3.660 -9.877 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.585 3.946 -7.694 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.236 4.353 -7.270 1.00 0.00 H new ATOM 397 N TYR A 27 -2.119 1.894 -6.234 1.00 0.00 N ATOM 398 CA TYR A 27 -1.893 0.513 -5.788 1.00 0.00 C ATOM 399 C TYR A 27 -3.189 -0.296 -5.629 1.00 0.00 C ATOM 400 O TYR A 27 -3.377 -1.281 -6.336 1.00 0.00 O ATOM 401 CB TYR A 27 -1.029 0.503 -4.517 1.00 0.00 C ATOM 402 CG TYR A 27 -0.352 -0.831 -4.251 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.910 -1.097 -4.822 1.00 0.00 C ATOM 404 CD2 TYR A 27 -0.977 -1.813 -3.450 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.526 -2.332 -4.608 1.00 0.00 C ATOM 406 CE2 TYR A 27 -0.344 -3.053 -3.218 1.00 0.00 C ATOM 407 CZ TYR A 27 0.912 -3.311 -3.809 1.00 0.00 C ATOM 408 OH TYR A 27 1.590 -4.467 -3.605 1.00 0.00 O ATOM 0 H TYR A 27 -1.668 2.585 -5.634 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.344 0.000 -6.578 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.267 1.277 -4.600 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.653 0.761 -3.662 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.400 -0.346 -5.424 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.944 -1.614 -3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.485 -2.537 -5.062 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.816 -3.798 -2.594 1.00 0.00 H new ATOM 0 HH TYR A 27 0.958 -5.183 -3.385 1.00 0.00 H new ATOM 418 N LYS A 28 -4.110 0.128 -4.751 1.00 0.00 N ATOM 419 CA LYS A 28 -5.401 -0.547 -4.520 1.00 0.00 C ATOM 420 C LYS A 28 -6.219 -0.711 -5.810 1.00 0.00 C ATOM 421 O LYS A 28 -6.757 -1.790 -6.058 1.00 0.00 O ATOM 422 CB LYS A 28 -6.173 0.215 -3.429 1.00 0.00 C ATOM 423 CG LYS A 28 -7.445 -0.521 -2.977 1.00 0.00 C ATOM 424 CD LYS A 28 -8.122 0.223 -1.818 1.00 0.00 C ATOM 425 CE LYS A 28 -9.376 -0.532 -1.362 1.00 0.00 C ATOM 426 NZ LYS A 28 -10.045 0.155 -0.230 1.00 0.00 N ATOM 0 H LYS A 28 -3.980 0.959 -4.173 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.210 -1.563 -4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.522 0.368 -2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.443 1.202 -3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.138 -0.607 -3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.193 -1.535 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.426 0.323 -0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.390 1.232 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.071 -0.621 -2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.104 -1.545 -1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.889 -0.383 0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.389 0.218 0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.327 1.112 -0.523 1.00 0.00 H new ATOM 440 N SER A 29 -6.277 0.340 -6.635 1.00 0.00 N ATOM 441 CA SER A 29 -6.976 0.378 -7.920 1.00 0.00 C ATOM 442 C SER A 29 -6.459 -0.688 -8.875 1.00 0.00 C ATOM 443 O SER A 29 -7.242 -1.503 -9.373 1.00 0.00 O ATOM 444 CB SER A 29 -6.767 1.732 -8.602 1.00 0.00 C ATOM 445 OG SER A 29 -6.808 2.810 -7.694 1.00 0.00 O ATOM 0 H SER A 29 -5.818 1.224 -6.414 1.00 0.00 H new ATOM 0 HA SER A 29 -8.030 0.203 -7.704 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.806 1.731 -9.116 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.535 1.874 -9.363 1.00 0.00 H new ATOM 0 HG SER A 29 -6.211 3.522 -8.005 1.00 0.00 H new ATOM 451 N THR A 30 -5.144 -0.681 -9.138 1.00 0.00 N ATOM 452 CA THR A 30 -4.513 -1.703 -9.969 1.00 0.00 C ATOM 453 C THR A 30 -4.688 -3.069 -9.315 1.00 0.00 C ATOM 454 O THR A 30 -5.319 -3.903 -9.940 1.00 0.00 O ATOM 455 CB THR A 30 -3.087 -1.349 -10.409 1.00 0.00 C ATOM 456 OG1 THR A 30 -2.638 -2.336 -11.300 1.00 0.00 O ATOM 457 CG2 THR A 30 -2.080 -1.247 -9.276 1.00 0.00 C ATOM 0 H THR A 30 -4.500 0.026 -8.783 1.00 0.00 H new ATOM 0 HA THR A 30 -5.029 -1.750 -10.928 1.00 0.00 H new ATOM 0 HB THR A 30 -3.147 -0.360 -10.863 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.313 -1.912 -12.121 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.101 -0.993 -9.681 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.395 -0.472 -8.578 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.021 -2.203 -8.755 1.00 0.00 H new ATOM 465 N VAL A 31 -4.320 -3.298 -8.045 1.00 0.00 N ATOM 466 CA VAL A 31 -4.508 -4.598 -7.368 1.00 0.00 C ATOM 467 C VAL A 31 -5.921 -5.167 -7.573 1.00 0.00 C ATOM 468 O VAL A 31 -6.048 -6.307 -8.020 1.00 0.00 O ATOM 469 CB VAL A 31 -4.122 -4.520 -5.876 1.00 0.00 C ATOM 470 CG1 VAL A 31 -4.523 -5.786 -5.108 1.00 0.00 C ATOM 471 CG2 VAL A 31 -2.602 -4.362 -5.739 1.00 0.00 C ATOM 0 H VAL A 31 -3.883 -2.589 -7.455 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.825 -5.304 -7.841 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.653 -3.664 -5.459 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.231 -5.685 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.602 -5.924 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.021 -6.650 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.336 -4.307 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.105 -5.218 -6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.284 -3.448 -6.241 1.00 0.00 H new ATOM 481 N LYS A 32 -6.975 -4.371 -7.340 1.00 0.00 N ATOM 482 CA LYS A 32 -8.362 -4.724 -7.681 1.00 0.00 C ATOM 483 C LYS A 32 -8.512 -5.108 -9.164 1.00 0.00 C ATOM 484 O LYS A 32 -8.976 -6.201 -9.482 1.00 0.00 O ATOM 485 CB LYS A 32 -9.275 -3.551 -7.284 1.00 0.00 C ATOM 486 CG LYS A 32 -10.759 -3.844 -7.557 1.00 0.00 C ATOM 487 CD LYS A 32 -11.639 -2.658 -7.136 1.00 0.00 C ATOM 488 CE LYS A 32 -13.128 -2.915 -7.409 1.00 0.00 C ATOM 489 NZ LYS A 32 -13.437 -2.953 -8.859 1.00 0.00 N ATOM 0 H LYS A 32 -6.888 -3.453 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.659 -5.612 -7.123 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.140 -3.331 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.976 -2.659 -7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.904 -4.051 -8.617 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.063 -4.738 -7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.495 -2.460 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.322 -1.764 -7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.421 -3.861 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.722 -2.134 -6.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.468 -2.959 -8.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.032 -2.115 -9.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.028 -3.812 -9.279 1.00 0.00 H new ATOM 503 N SER A 33 -8.108 -4.211 -10.063 1.00 0.00 N ATOM 504 CA SER A 33 -8.196 -4.344 -11.525 1.00 0.00 C ATOM 505 C SER A 33 -7.455 -5.577 -12.076 1.00 0.00 C ATOM 506 O SER A 33 -7.971 -6.263 -12.955 1.00 0.00 O ATOM 507 CB SER A 33 -7.629 -3.088 -12.203 1.00 0.00 C ATOM 508 OG SER A 33 -8.154 -1.875 -11.677 1.00 0.00 O ATOM 0 H SER A 33 -7.688 -3.325 -9.781 1.00 0.00 H new ATOM 0 HA SER A 33 -9.255 -4.469 -11.752 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.545 -3.083 -12.093 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.841 -3.134 -13.271 1.00 0.00 H new ATOM 0 HG SER A 33 -7.800 -1.729 -10.775 1.00 0.00 H new ATOM 514 N LEU A 34 -6.255 -5.871 -11.560 1.00 0.00 N ATOM 515 CA LEU A 34 -5.430 -7.020 -11.931 1.00 0.00 C ATOM 516 C LEU A 34 -5.998 -8.326 -11.360 1.00 0.00 C ATOM 517 O LEU A 34 -5.990 -9.341 -12.050 1.00 0.00 O ATOM 518 CB LEU A 34 -3.982 -6.841 -11.439 1.00 0.00 C ATOM 519 CG LEU A 34 -3.250 -5.539 -11.805 1.00 0.00 C ATOM 520 CD1 LEU A 34 -1.848 -5.534 -11.201 1.00 0.00 C ATOM 521 CD2 LEU A 34 -3.185 -5.270 -13.295 1.00 0.00 C ATOM 0 H LEU A 34 -5.818 -5.290 -10.845 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.437 -7.079 -13.019 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.986 -6.928 -10.352 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.394 -7.674 -11.823 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.841 -4.728 -11.379 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.340 -4.607 -11.467 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.919 -5.610 -10.116 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.282 -6.382 -11.588 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.654 -4.335 -13.473 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.658 -6.086 -13.789 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.196 -5.195 -13.696 1.00 0.00 H new ATOM 533 N ARG A 35 -6.534 -8.310 -10.127 1.00 0.00 N ATOM 534 CA ARG A 35 -7.255 -9.456 -9.543 1.00 0.00 C ATOM 535 C ARG A 35 -8.594 -9.729 -10.249 1.00 0.00 C ATOM 536 O ARG A 35 -9.039 -10.871 -10.261 1.00 0.00 O ATOM 537 CB ARG A 35 -7.423 -9.267 -8.026 1.00 0.00 C ATOM 538 CG ARG A 35 -6.066 -9.378 -7.300 1.00 0.00 C ATOM 539 CD ARG A 35 -6.140 -8.969 -5.823 1.00 0.00 C ATOM 540 NE ARG A 35 -6.778 -10.005 -4.990 1.00 0.00 N ATOM 541 CZ ARG A 35 -6.294 -10.604 -3.905 1.00 0.00 C ATOM 542 NH1 ARG A 35 -5.106 -10.355 -3.395 1.00 0.00 N ATOM 543 NH2 ARG A 35 -7.025 -11.502 -3.289 1.00 0.00 N ATOM 0 H ARG A 35 -6.480 -7.502 -9.507 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.649 -10.348 -9.705 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.868 -8.293 -7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.110 -10.018 -7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.706 -10.405 -7.369 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.336 -8.749 -7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.134 -8.774 -5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.699 -8.038 -5.733 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.709 -10.300 -5.283 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.496 -9.666 -3.836 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.796 -10.851 -2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.953 -11.734 -3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.665 -11.968 -2.456 1.00 0.00 H new ATOM 557 N GLN A 36 -9.182 -8.728 -10.919 1.00 0.00 N ATOM 558 CA GLN A 36 -10.235 -8.900 -11.935 1.00 0.00 C ATOM 559 C GLN A 36 -9.712 -9.431 -13.296 1.00 0.00 C ATOM 560 O GLN A 36 -10.487 -9.589 -14.237 1.00 0.00 O ATOM 561 CB GLN A 36 -11.028 -7.590 -12.102 1.00 0.00 C ATOM 562 CG GLN A 36 -11.932 -7.297 -10.893 1.00 0.00 C ATOM 563 CD GLN A 36 -12.763 -6.032 -11.092 1.00 0.00 C ATOM 564 OE1 GLN A 36 -12.639 -5.049 -10.370 1.00 0.00 O ATOM 565 NE2 GLN A 36 -13.656 -6.013 -12.065 1.00 0.00 N ATOM 0 H GLN A 36 -8.933 -7.751 -10.767 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.904 -9.678 -11.567 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.333 -6.762 -12.242 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.638 -7.650 -13.003 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.597 -8.144 -10.724 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.318 -7.190 -9.999 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.767 -6.826 -12.671 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.235 -5.186 -12.210 1.00 0.00 H new ATOM 574 N GLY A 37 -8.416 -9.746 -13.421 1.00 0.00 N ATOM 575 CA GLY A 37 -7.846 -10.641 -14.430 1.00 0.00 C ATOM 576 C GLY A 37 -7.611 -10.039 -15.816 1.00 0.00 C ATOM 577 O GLY A 37 -6.589 -10.334 -16.431 1.00 0.00 O ATOM 0 H GLY A 37 -7.708 -9.366 -12.793 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.894 -11.017 -14.055 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.508 -11.500 -14.538 1.00 0.00 H new ATOM 581 N LYS A 38 -8.537 -9.219 -16.332 1.00 0.00 N ATOM 582 CA LYS A 38 -8.544 -8.782 -17.740 1.00 0.00 C ATOM 583 C LYS A 38 -7.528 -7.679 -18.105 1.00 0.00 C ATOM 584 O LYS A 38 -7.603 -7.142 -19.209 1.00 0.00 O ATOM 585 CB LYS A 38 -9.970 -8.379 -18.175 1.00 0.00 C ATOM 586 CG LYS A 38 -10.258 -8.837 -19.624 1.00 0.00 C ATOM 587 CD LYS A 38 -11.136 -7.880 -20.454 1.00 0.00 C ATOM 588 CE LYS A 38 -10.324 -7.110 -21.508 1.00 0.00 C ATOM 589 NZ LYS A 38 -9.433 -6.103 -20.895 1.00 0.00 N ATOM 0 H LYS A 38 -9.307 -8.837 -15.784 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.210 -9.655 -18.301 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.700 -8.823 -17.498 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.084 -7.297 -18.102 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.308 -8.972 -20.141 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.744 -9.812 -19.590 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.923 -8.449 -20.949 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.627 -7.171 -19.788 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.729 -7.813 -22.092 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.005 -6.617 -22.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.808 -5.703 -21.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.005 -5.343 -20.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.858 -6.553 -20.155 1.00 0.00 H new ATOM 603 N SER A 39 -6.612 -7.289 -17.216 1.00 0.00 N ATOM 604 CA SER A 39 -5.543 -6.336 -17.541 1.00 0.00 C ATOM 605 C SER A 39 -4.558 -6.900 -18.576 1.00 0.00 C ATOM 606 O SER A 39 -4.439 -8.118 -18.728 1.00 0.00 O ATOM 607 CB SER A 39 -4.797 -5.962 -16.263 1.00 0.00 C ATOM 608 OG SER A 39 -4.284 -7.120 -15.641 1.00 0.00 O ATOM 0 H SER A 39 -6.588 -7.623 -16.252 1.00 0.00 H new ATOM 0 HA SER A 39 -6.004 -5.452 -17.982 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.984 -5.275 -16.496 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.469 -5.441 -15.581 1.00 0.00 H new ATOM 0 HG SER A 39 -3.631 -7.547 -16.233 1.00 0.00 H new ATOM 614 N LYS A 40 -3.810 -6.014 -19.255 1.00 0.00 N ATOM 615 CA LYS A 40 -2.823 -6.428 -20.264 1.00 0.00 C ATOM 616 C LYS A 40 -1.460 -5.724 -20.160 1.00 0.00 C ATOM 617 O LYS A 40 -0.460 -6.320 -20.582 1.00 0.00 O ATOM 618 CB LYS A 40 -3.486 -6.298 -21.648 1.00 0.00 C ATOM 619 CG LYS A 40 -2.698 -6.924 -22.809 1.00 0.00 C ATOM 620 CD LYS A 40 -2.546 -8.452 -22.792 1.00 0.00 C ATOM 621 CE LYS A 40 -1.125 -8.842 -23.223 1.00 0.00 C ATOM 622 NZ LYS A 40 -0.167 -8.654 -22.112 1.00 0.00 N ATOM 0 H LYS A 40 -3.871 -5.005 -19.122 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.552 -7.468 -20.081 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.472 -6.762 -21.607 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.640 -5.240 -21.862 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.184 -6.640 -23.743 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.701 -6.483 -22.821 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.750 -8.835 -21.792 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.276 -8.906 -23.462 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.112 -9.882 -23.548 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.821 -8.237 -24.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.805 -8.726 -22.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.309 -7.716 -21.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.322 -9.388 -21.392 1.00 0.00 H new ATOM 636 N LEU A 41 -1.378 -4.548 -19.523 1.00 0.00 N ATOM 637 CA LEU A 41 -0.113 -3.843 -19.240 1.00 0.00 C ATOM 638 C LEU A 41 -0.163 -3.158 -17.853 1.00 0.00 C ATOM 639 O LEU A 41 -1.144 -2.470 -17.579 1.00 0.00 O ATOM 640 CB LEU A 41 0.082 -2.876 -20.431 1.00 0.00 C ATOM 641 CG LEU A 41 1.235 -1.857 -20.425 1.00 0.00 C ATOM 642 CD1 LEU A 41 1.010 -0.729 -19.422 1.00 0.00 C ATOM 643 CD2 LEU A 41 2.615 -2.482 -20.217 1.00 0.00 C ATOM 0 H LEU A 41 -2.200 -4.049 -19.183 1.00 0.00 H new ATOM 0 HA LEU A 41 0.747 -4.508 -19.166 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.196 -3.487 -21.327 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.845 -2.314 -20.545 1.00 0.00 H new ATOM 0 HG LEU A 41 1.228 -1.435 -21.430 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.852 -0.037 -19.457 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.092 -0.197 -19.673 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.925 -1.146 -18.419 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.374 -1.700 -20.225 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.639 -3.001 -19.259 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.817 -3.192 -21.019 1.00 0.00 H new ATOM 655 N ILE A 42 0.871 -3.304 -16.994 1.00 0.00 N ATOM 656 CA ILE A 42 1.114 -2.447 -15.817 1.00 0.00 C ATOM 657 C ILE A 42 2.405 -1.625 -15.983 1.00 0.00 C ATOM 658 O ILE A 42 3.425 -2.151 -16.428 1.00 0.00 O ATOM 659 CB ILE A 42 1.101 -3.207 -14.458 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.315 -4.101 -14.121 1.00 0.00 C ATOM 661 CG2 ILE A 42 -0.168 -4.045 -14.252 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.290 -4.582 -12.664 1.00 0.00 C ATOM 0 H ILE A 42 1.573 -4.036 -17.104 1.00 0.00 H new ATOM 0 HA ILE A 42 0.265 -1.765 -15.776 1.00 0.00 H new ATOM 0 HB ILE A 42 1.144 -2.364 -13.769 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.326 -4.964 -14.787 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.235 -3.546 -14.304 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.118 -4.550 -13.288 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.042 -3.394 -14.275 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.247 -4.787 -15.047 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.162 -5.207 -12.472 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.307 -3.721 -11.996 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.383 -5.160 -12.487 1.00 0.00 H new ATOM 674 N ILE A 43 2.369 -0.346 -15.584 1.00 0.00 N ATOM 675 CA ILE A 43 3.543 0.532 -15.456 1.00 0.00 C ATOM 676 C ILE A 43 3.753 0.831 -13.981 1.00 0.00 C ATOM 677 O ILE A 43 2.885 1.457 -13.377 1.00 0.00 O ATOM 678 CB ILE A 43 3.372 1.901 -16.152 1.00 0.00 C ATOM 679 CG1 ILE A 43 2.871 1.856 -17.608 1.00 0.00 C ATOM 680 CG2 ILE A 43 4.698 2.678 -16.067 1.00 0.00 C ATOM 681 CD1 ILE A 43 3.768 1.088 -18.582 1.00 0.00 C ATOM 0 H ILE A 43 1.497 0.121 -15.334 1.00 0.00 H new ATOM 0 HA ILE A 43 4.375 0.007 -15.924 1.00 0.00 H new ATOM 0 HB ILE A 43 2.574 2.407 -15.610 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.879 1.405 -17.620 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.761 2.878 -17.969 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.585 3.645 -16.556 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.965 2.829 -15.021 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.485 2.110 -16.563 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.329 1.115 -19.579 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.755 1.549 -18.608 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.859 0.053 -18.253 1.00 0.00 H new ATOM 693 N ILE A 44 4.900 0.467 -13.412 1.00 0.00 N ATOM 694 CA ILE A 44 5.256 0.883 -12.051 1.00 0.00 C ATOM 695 C ILE A 44 6.243 2.056 -12.157 1.00 0.00 C ATOM 696 O ILE A 44 7.381 1.876 -12.602 1.00 0.00 O ATOM 697 CB ILE A 44 5.747 -0.319 -11.213 1.00 0.00 C ATOM 698 CG1 ILE A 44 4.686 -1.454 -11.161 1.00 0.00 C ATOM 699 CG2 ILE A 44 6.069 0.144 -9.778 1.00 0.00 C ATOM 700 CD1 ILE A 44 5.299 -2.850 -11.044 1.00 0.00 C ATOM 0 H ILE A 44 5.601 -0.115 -13.870 1.00 0.00 H new ATOM 0 HA ILE A 44 4.387 1.244 -11.501 1.00 0.00 H new ATOM 0 HB ILE A 44 6.644 -0.713 -11.691 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.023 -1.284 -10.313 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.071 -1.409 -12.060 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.415 -0.706 -9.190 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.848 0.906 -9.808 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.172 0.561 -9.320 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.504 -3.595 -11.013 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.940 -3.039 -11.905 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.891 -2.912 -10.131 1.00 0.00 H new ATOM 712 N ALA A 45 5.784 3.260 -11.776 1.00 0.00 N ATOM 713 CA ALA A 45 6.567 4.494 -11.715 1.00 0.00 C ATOM 714 C ALA A 45 6.583 5.092 -10.305 1.00 0.00 C ATOM 715 O ALA A 45 6.184 6.235 -10.063 1.00 0.00 O ATOM 716 CB ALA A 45 6.098 5.491 -12.784 1.00 0.00 C ATOM 0 H ALA A 45 4.815 3.400 -11.491 1.00 0.00 H new ATOM 0 HA ALA A 45 7.604 4.249 -11.943 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.695 6.401 -12.720 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.218 5.048 -13.773 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.048 5.733 -12.620 1.00 0.00 H new ATOM 722 N ALA A 46 7.092 4.290 -9.372 1.00 0.00 N ATOM 723 CA ALA A 46 7.307 4.631 -7.975 1.00 0.00 C ATOM 724 C ALA A 46 8.583 3.940 -7.476 1.00 0.00 C ATOM 725 O ALA A 46 8.919 2.845 -7.951 1.00 0.00 O ATOM 726 CB ALA A 46 6.071 4.171 -7.192 1.00 0.00 C ATOM 0 H ALA A 46 7.379 3.335 -9.586 1.00 0.00 H new ATOM 0 HA ALA A 46 7.440 5.704 -7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.198 4.412 -6.137 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.187 4.680 -7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.948 3.094 -7.306 1.00 0.00 H new ATOM 732 N ASN A 47 9.270 4.544 -6.497 1.00 0.00 N ATOM 733 CA ASN A 47 10.445 3.989 -5.821 1.00 0.00 C ATOM 734 C ASN A 47 10.015 2.780 -4.957 1.00 0.00 C ATOM 735 O ASN A 47 9.806 2.891 -3.751 1.00 0.00 O ATOM 736 CB ASN A 47 11.140 5.105 -5.011 1.00 0.00 C ATOM 737 CG ASN A 47 11.541 6.315 -5.854 1.00 0.00 C ATOM 738 OD1 ASN A 47 10.711 7.145 -6.199 1.00 0.00 O ATOM 739 ND2 ASN A 47 12.811 6.455 -6.198 1.00 0.00 N ATOM 0 H ASN A 47 9.012 5.465 -6.143 1.00 0.00 H new ATOM 0 HA ASN A 47 11.175 3.618 -6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.473 5.433 -4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.030 4.695 -4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.103 7.259 -6.754 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.498 5.759 -5.907 1.00 0.00 H new ATOM 746 N THR A 48 9.791 1.642 -5.619 1.00 0.00 N ATOM 747 CA THR A 48 8.912 0.556 -5.161 1.00 0.00 C ATOM 748 C THR A 48 9.717 -0.557 -4.478 1.00 0.00 C ATOM 749 O THR A 48 10.546 -1.178 -5.144 1.00 0.00 O ATOM 750 CB THR A 48 8.127 -0.016 -6.355 1.00 0.00 C ATOM 751 OG1 THR A 48 7.391 1.004 -6.984 1.00 0.00 O ATOM 752 CG2 THR A 48 7.087 -1.058 -5.948 1.00 0.00 C ATOM 0 H THR A 48 10.229 1.442 -6.518 1.00 0.00 H new ATOM 0 HA THR A 48 8.214 0.964 -4.430 1.00 0.00 H new ATOM 0 HB THR A 48 8.881 -0.466 -7.001 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.962 1.468 -7.631 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.569 -1.421 -6.836 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.583 -1.892 -5.451 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.366 -0.606 -5.267 1.00 0.00 H new ATOM 760 N PRO A 49 9.488 -0.850 -3.178 1.00 0.00 N ATOM 761 CA PRO A 49 10.108 -1.985 -2.493 1.00 0.00 C ATOM 762 C PRO A 49 9.905 -3.316 -3.231 1.00 0.00 C ATOM 763 O PRO A 49 8.844 -3.559 -3.812 1.00 0.00 O ATOM 764 CB PRO A 49 9.471 -2.030 -1.101 1.00 0.00 C ATOM 765 CG PRO A 49 9.023 -0.591 -0.862 1.00 0.00 C ATOM 766 CD PRO A 49 8.626 -0.121 -2.260 1.00 0.00 C ATOM 0 HA PRO A 49 11.189 -1.851 -2.449 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.630 -2.722 -1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.184 -2.358 -0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.186 -0.539 -0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.825 0.018 -0.444 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.575 -0.330 -2.460 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.763 0.955 -2.365 1.00 0.00 H new ATOM 774 N VAL A 50 10.902 -4.207 -3.147 1.00 0.00 N ATOM 775 CA VAL A 50 10.934 -5.488 -3.875 1.00 0.00 C ATOM 776 C VAL A 50 9.681 -6.328 -3.609 1.00 0.00 C ATOM 777 O VAL A 50 9.061 -6.807 -4.553 1.00 0.00 O ATOM 778 CB VAL A 50 12.219 -6.282 -3.558 1.00 0.00 C ATOM 779 CG1 VAL A 50 12.283 -7.596 -4.353 1.00 0.00 C ATOM 780 CG2 VAL A 50 13.478 -5.470 -3.897 1.00 0.00 C ATOM 0 H VAL A 50 11.724 -4.058 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 50 10.943 -5.252 -4.939 1.00 0.00 H new ATOM 0 HB VAL A 50 12.186 -6.495 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.201 -8.128 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.424 -8.217 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.269 -7.376 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.365 -6.058 -3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.477 -5.224 -4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.487 -4.551 -3.311 1.00 0.00 H new ATOM 790 N LEU A 51 9.264 -6.462 -2.343 1.00 0.00 N ATOM 791 CA LEU A 51 8.034 -7.170 -1.976 1.00 0.00 C ATOM 792 C LEU A 51 6.805 -6.572 -2.685 1.00 0.00 C ATOM 793 O LEU A 51 6.036 -7.300 -3.313 1.00 0.00 O ATOM 794 CB LEU A 51 7.850 -7.155 -0.446 1.00 0.00 C ATOM 795 CG LEU A 51 8.968 -7.856 0.352 1.00 0.00 C ATOM 796 CD1 LEU A 51 8.707 -7.685 1.850 1.00 0.00 C ATOM 797 CD2 LEU A 51 9.063 -9.353 0.041 1.00 0.00 C ATOM 0 H LEU A 51 9.772 -6.081 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 51 8.126 -8.204 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.782 -6.119 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.899 -7.630 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 51 9.910 -7.392 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.496 -8.180 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.694 -6.624 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.745 -8.129 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.866 -9.797 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.119 -9.837 0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.272 -9.492 -1.020 1.00 0.00 H new ATOM 809 N ARG A 52 6.664 -5.242 -2.626 1.00 0.00 N ATOM 810 CA ARG A 52 5.559 -4.458 -3.189 1.00 0.00 C ATOM 811 C ARG A 52 5.495 -4.626 -4.717 1.00 0.00 C ATOM 812 O ARG A 52 4.434 -4.972 -5.249 1.00 0.00 O ATOM 813 CB ARG A 52 5.739 -2.997 -2.724 1.00 0.00 C ATOM 814 CG ARG A 52 4.450 -2.179 -2.621 1.00 0.00 C ATOM 815 CD ARG A 52 3.657 -2.408 -1.320 1.00 0.00 C ATOM 816 NE ARG A 52 2.992 -3.726 -1.264 1.00 0.00 N ATOM 817 CZ ARG A 52 2.886 -4.569 -0.241 1.00 0.00 C ATOM 818 NH1 ARG A 52 3.467 -4.334 0.913 1.00 0.00 N ATOM 819 NH2 ARG A 52 2.188 -5.674 -0.348 1.00 0.00 N ATOM 0 H ARG A 52 7.354 -4.653 -2.160 1.00 0.00 H new ATOM 0 HA ARG A 52 4.593 -4.811 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.226 -3.001 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.415 -2.494 -3.416 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.698 -1.120 -2.700 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.811 -2.421 -3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.333 -2.313 -0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.905 -1.625 -1.219 1.00 0.00 H new ATOM 0 HE ARG A 52 2.552 -4.032 -2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.018 -3.486 1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.367 -5.000 1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.717 -5.897 -1.225 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.116 -6.311 0.446 1.00 0.00 H new ATOM 833 N LYS A 53 6.637 -4.467 -5.417 1.00 0.00 N ATOM 834 CA LYS A 53 6.677 -4.721 -6.866 1.00 0.00 C ATOM 835 C LYS A 53 6.329 -6.186 -7.133 1.00 0.00 C ATOM 836 O LYS A 53 5.498 -6.439 -7.996 1.00 0.00 O ATOM 837 CB LYS A 53 7.988 -4.286 -7.565 1.00 0.00 C ATOM 838 CG LYS A 53 9.130 -5.319 -7.626 1.00 0.00 C ATOM 839 CD LYS A 53 10.344 -4.813 -8.420 1.00 0.00 C ATOM 840 CE LYS A 53 11.241 -5.966 -8.899 1.00 0.00 C ATOM 841 NZ LYS A 53 10.629 -6.745 -10.008 1.00 0.00 N ATOM 0 H LYS A 53 7.524 -4.170 -5.011 1.00 0.00 H new ATOM 0 HA LYS A 53 5.923 -4.079 -7.322 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.745 -3.991 -8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.363 -3.398 -7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.443 -5.570 -6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.760 -6.237 -8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.000 -4.239 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.927 -4.135 -7.797 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.199 -5.563 -9.228 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.447 -6.633 -8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.369 -7.032 -10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.164 -7.592 -9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.925 -6.157 -10.498 1.00 0.00 H new ATOM 855 N SER A 54 6.896 -7.126 -6.357 1.00 0.00 N ATOM 856 CA SER A 54 6.663 -8.564 -6.525 1.00 0.00 C ATOM 857 C SER A 54 5.185 -8.939 -6.417 1.00 0.00 C ATOM 858 O SER A 54 4.745 -9.806 -7.159 1.00 0.00 O ATOM 859 CB SER A 54 7.514 -9.412 -5.570 1.00 0.00 C ATOM 860 OG SER A 54 6.990 -9.485 -4.257 1.00 0.00 O ATOM 0 H SER A 54 7.532 -6.904 -5.592 1.00 0.00 H new ATOM 0 HA SER A 54 6.982 -8.794 -7.542 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.602 -10.421 -5.974 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.521 -8.997 -5.528 1.00 0.00 H new ATOM 0 HG SER A 54 6.554 -8.637 -4.031 1.00 0.00 H new ATOM 866 N GLU A 55 4.400 -8.270 -5.564 1.00 0.00 N ATOM 867 CA GLU A 55 2.954 -8.477 -5.489 1.00 0.00 C ATOM 868 C GLU A 55 2.253 -7.977 -6.766 1.00 0.00 C ATOM 869 O GLU A 55 1.439 -8.703 -7.340 1.00 0.00 O ATOM 870 CB GLU A 55 2.396 -7.764 -4.246 1.00 0.00 C ATOM 871 CG GLU A 55 1.055 -8.359 -3.789 1.00 0.00 C ATOM 872 CD GLU A 55 0.180 -7.402 -2.957 1.00 0.00 C ATOM 873 OE1 GLU A 55 0.696 -6.366 -2.459 1.00 0.00 O ATOM 874 OE2 GLU A 55 -1.035 -7.690 -2.855 1.00 0.00 O ATOM 0 H GLU A 55 4.751 -7.572 -4.909 1.00 0.00 H new ATOM 0 HA GLU A 55 2.758 -9.546 -5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.119 -7.835 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.266 -6.704 -4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.493 -8.672 -4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.252 -9.255 -3.200 1.00 0.00 H new ATOM 881 N LEU A 56 2.582 -6.768 -7.253 1.00 0.00 N ATOM 882 CA LEU A 56 2.021 -6.268 -8.528 1.00 0.00 C ATOM 883 C LEU A 56 2.377 -7.155 -9.722 1.00 0.00 C ATOM 884 O LEU A 56 1.544 -7.444 -10.578 1.00 0.00 O ATOM 885 CB LEU A 56 2.443 -4.817 -8.776 1.00 0.00 C ATOM 886 CG LEU A 56 1.901 -3.840 -7.720 1.00 0.00 C ATOM 887 CD1 LEU A 56 1.694 -2.492 -8.385 1.00 0.00 C ATOM 888 CD2 LEU A 56 0.541 -4.234 -7.139 1.00 0.00 C ATOM 0 H LEU A 56 3.225 -6.123 -6.793 1.00 0.00 H new ATOM 0 HA LEU A 56 0.936 -6.304 -8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.531 -4.759 -8.790 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.094 -4.507 -9.761 1.00 0.00 H new ATOM 0 HG LEU A 56 2.631 -3.835 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.309 -1.781 -7.654 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.644 -2.130 -8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.980 -2.595 -9.202 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.231 -3.493 -6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.197 -4.280 -7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.619 -5.210 -6.660 1.00 0.00 H new ATOM 900 N GLU A 57 3.620 -7.601 -9.724 1.00 0.00 N ATOM 901 CA GLU A 57 4.239 -8.546 -10.654 1.00 0.00 C ATOM 902 C GLU A 57 3.565 -9.934 -10.583 1.00 0.00 C ATOM 903 O GLU A 57 3.282 -10.539 -11.618 1.00 0.00 O ATOM 904 CB GLU A 57 5.735 -8.524 -10.308 1.00 0.00 C ATOM 905 CG GLU A 57 6.768 -9.102 -11.279 1.00 0.00 C ATOM 906 CD GLU A 57 8.096 -8.363 -11.031 1.00 0.00 C ATOM 907 OE1 GLU A 57 8.793 -8.657 -10.032 1.00 0.00 O ATOM 908 OE2 GLU A 57 8.385 -7.376 -11.753 1.00 0.00 O ATOM 0 H GLU A 57 4.285 -7.288 -9.016 1.00 0.00 H new ATOM 0 HA GLU A 57 4.107 -8.271 -11.700 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.008 -7.484 -10.130 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.854 -9.051 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.889 -10.173 -11.118 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.442 -8.969 -12.311 1.00 0.00 H new ATOM 915 N TYR A 58 3.202 -10.401 -9.381 1.00 0.00 N ATOM 916 CA TYR A 58 2.370 -11.585 -9.148 1.00 0.00 C ATOM 917 C TYR A 58 0.969 -11.423 -9.755 1.00 0.00 C ATOM 918 O TYR A 58 0.504 -12.313 -10.466 1.00 0.00 O ATOM 919 CB TYR A 58 2.290 -11.884 -7.641 1.00 0.00 C ATOM 920 CG TYR A 58 1.903 -13.302 -7.286 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.904 -14.288 -7.241 1.00 0.00 C ATOM 922 CD2 TYR A 58 0.579 -13.622 -6.930 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.582 -15.607 -6.871 1.00 0.00 C ATOM 924 CE2 TYR A 58 0.254 -14.934 -6.537 1.00 0.00 C ATOM 925 CZ TYR A 58 1.254 -15.932 -6.519 1.00 0.00 C ATOM 926 OH TYR A 58 0.951 -17.206 -6.149 1.00 0.00 O ATOM 0 H TYR A 58 3.491 -9.947 -8.514 1.00 0.00 H new ATOM 0 HA TYR A 58 2.838 -12.432 -9.649 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.259 -11.665 -7.191 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.568 -11.203 -7.190 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.923 -14.032 -7.491 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.187 -12.861 -6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.348 -16.368 -6.856 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.758 -15.177 -6.250 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.004 -17.267 -5.936 1.00 0.00 H new ATOM 936 N TYR A 59 0.289 -10.289 -9.533 1.00 0.00 N ATOM 937 CA TYR A 59 -1.004 -10.042 -10.186 1.00 0.00 C ATOM 938 C TYR A 59 -0.885 -9.900 -11.706 1.00 0.00 C ATOM 939 O TYR A 59 -1.750 -10.401 -12.432 1.00 0.00 O ATOM 940 CB TYR A 59 -1.715 -8.826 -9.596 1.00 0.00 C ATOM 941 CG TYR A 59 -1.959 -8.883 -8.107 1.00 0.00 C ATOM 942 CD1 TYR A 59 -2.632 -9.982 -7.539 1.00 0.00 C ATOM 943 CD2 TYR A 59 -1.524 -7.824 -7.292 1.00 0.00 C ATOM 944 CE1 TYR A 59 -2.845 -10.043 -6.150 1.00 0.00 C ATOM 945 CE2 TYR A 59 -1.752 -7.873 -5.906 1.00 0.00 C ATOM 946 CZ TYR A 59 -2.414 -8.979 -5.331 1.00 0.00 C ATOM 947 OH TYR A 59 -2.681 -9.003 -3.997 1.00 0.00 O ATOM 0 H TYR A 59 0.606 -9.540 -8.917 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.608 -10.927 -9.987 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.124 -7.937 -9.817 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.674 -8.705 -10.101 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.986 -10.782 -8.173 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.017 -6.976 -7.729 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.336 -10.900 -5.713 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.419 -7.060 -5.278 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.844 -8.916 -3.494 1.00 0.00 H new ATOM 957 N ALA A 60 0.184 -9.270 -12.211 1.00 0.00 N ATOM 958 CA ALA A 60 0.508 -9.252 -13.631 1.00 0.00 C ATOM 959 C ALA A 60 0.665 -10.668 -14.240 1.00 0.00 C ATOM 960 O ALA A 60 0.247 -10.896 -15.377 1.00 0.00 O ATOM 961 CB ALA A 60 1.757 -8.401 -13.852 1.00 0.00 C ATOM 0 H ALA A 60 0.850 -8.756 -11.634 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.334 -8.806 -14.160 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.003 -8.385 -14.914 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.570 -7.384 -13.507 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.591 -8.826 -13.293 1.00 0.00 H new ATOM 967 N MET A 61 1.234 -11.610 -13.471 1.00 0.00 N ATOM 968 CA MET A 61 1.398 -13.034 -13.801 1.00 0.00 C ATOM 969 C MET A 61 0.104 -13.868 -13.657 1.00 0.00 C ATOM 970 O MET A 61 -0.097 -14.807 -14.434 1.00 0.00 O ATOM 971 CB MET A 61 2.510 -13.596 -12.896 1.00 0.00 C ATOM 972 CG MET A 61 2.833 -15.076 -13.130 1.00 0.00 C ATOM 973 SD MET A 61 4.006 -15.777 -11.937 1.00 0.00 S ATOM 974 CE MET A 61 2.958 -15.858 -10.454 1.00 0.00 C ATOM 0 H MET A 61 1.613 -11.385 -12.551 1.00 0.00 H new ATOM 0 HA MET A 61 1.662 -13.108 -14.856 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.417 -13.011 -13.050 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.216 -13.461 -11.855 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.907 -15.649 -13.092 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.239 -15.193 -14.135 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.461 -16.443 -9.684 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.775 -14.850 -10.082 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.008 -16.330 -10.705 1.00 0.00 H new ATOM 984 N LEU A 62 -0.763 -13.555 -12.679 1.00 0.00 N ATOM 985 CA LEU A 62 -2.090 -14.167 -12.501 1.00 0.00 C ATOM 986 C LEU A 62 -3.058 -13.751 -13.619 1.00 0.00 C ATOM 987 O LEU A 62 -3.610 -14.613 -14.305 1.00 0.00 O ATOM 988 CB LEU A 62 -2.673 -13.785 -11.130 1.00 0.00 C ATOM 989 CG LEU A 62 -2.032 -14.506 -9.929 1.00 0.00 C ATOM 990 CD1 LEU A 62 -2.543 -13.846 -8.646 1.00 0.00 C ATOM 991 CD2 LEU A 62 -2.393 -15.994 -9.883 1.00 0.00 C ATOM 0 H LEU A 62 -0.554 -12.850 -11.972 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.965 -15.249 -12.550 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.562 -12.710 -10.991 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.742 -13.997 -11.134 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.949 -14.427 -10.026 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.101 -14.341 -7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.264 -12.792 -8.643 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.628 -13.934 -8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.917 -16.457 -9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.475 -16.104 -9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.045 -16.481 -10.794 1.00 0.00 H new ATOM 1003 N SER A 63 -3.195 -12.439 -13.848 1.00 0.00 N ATOM 1004 CA SER A 63 -3.639 -11.866 -15.130 1.00 0.00 C ATOM 1005 C SER A 63 -2.654 -12.241 -16.258 1.00 0.00 C ATOM 1006 O SER A 63 -1.771 -13.071 -16.052 1.00 0.00 O ATOM 1007 CB SER A 63 -3.801 -10.346 -14.992 1.00 0.00 C ATOM 1008 OG SER A 63 -2.556 -9.726 -14.742 1.00 0.00 O ATOM 0 H SER A 63 -2.998 -11.733 -13.139 1.00 0.00 H new ATOM 0 HA SER A 63 -4.610 -12.283 -15.397 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.238 -9.939 -15.904 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.493 -10.122 -14.180 1.00 0.00 H new ATOM 0 HG SER A 63 -2.062 -10.242 -14.071 1.00 0.00 H new ATOM 1014 N LYS A 64 -2.786 -11.713 -17.480 1.00 0.00 N ATOM 1015 CA LYS A 64 -1.799 -11.981 -18.549 1.00 0.00 C ATOM 1016 C LYS A 64 -1.187 -10.675 -19.035 1.00 0.00 C ATOM 1017 O LYS A 64 -1.325 -10.253 -20.185 1.00 0.00 O ATOM 1018 CB LYS A 64 -2.373 -12.928 -19.620 1.00 0.00 C ATOM 1019 CG LYS A 64 -2.721 -14.321 -19.044 1.00 0.00 C ATOM 1020 CD LYS A 64 -1.502 -15.181 -18.643 1.00 0.00 C ATOM 1021 CE LYS A 64 -1.880 -16.273 -17.629 1.00 0.00 C ATOM 1022 NZ LYS A 64 -1.920 -15.753 -16.238 1.00 0.00 N ATOM 0 H LYS A 64 -3.555 -11.104 -17.758 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.951 -12.545 -18.161 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.268 -12.482 -20.054 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.650 -13.041 -20.427 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.357 -14.188 -18.169 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.306 -14.868 -19.783 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.076 -15.644 -19.533 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.730 -14.540 -18.216 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.854 -16.687 -17.889 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.160 -17.089 -17.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.582 -16.323 -15.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.970 -15.809 -15.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.236 -14.762 -16.247 1.00 0.00 H new ATOM 1036 N THR A 65 -0.503 -10.023 -18.099 1.00 0.00 N ATOM 1037 CA THR A 65 -0.178 -8.603 -18.136 1.00 0.00 C ATOM 1038 C THR A 65 1.330 -8.399 -18.254 1.00 0.00 C ATOM 1039 O THR A 65 2.096 -9.021 -17.519 1.00 0.00 O ATOM 1040 CB THR A 65 -0.691 -7.978 -16.837 1.00 0.00 C ATOM 1041 OG1 THR A 65 -2.085 -8.137 -16.693 1.00 0.00 O ATOM 1042 CG2 THR A 65 -0.399 -6.500 -16.686 1.00 0.00 C ATOM 0 H THR A 65 -0.147 -10.488 -17.264 1.00 0.00 H new ATOM 0 HA THR A 65 -0.645 -8.133 -19.002 1.00 0.00 H new ATOM 0 HB THR A 65 -0.143 -8.520 -16.066 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.268 -8.806 -16.001 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.800 -6.145 -15.736 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.679 -6.338 -16.709 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.866 -5.951 -17.504 1.00 0.00 H new ATOM 1050 N LYS A 66 1.770 -7.483 -19.127 1.00 0.00 N ATOM 1051 CA LYS A 66 3.182 -7.093 -19.169 1.00 0.00 C ATOM 1052 C LYS A 66 3.471 -6.127 -18.024 1.00 0.00 C ATOM 1053 O LYS A 66 2.777 -5.125 -17.871 1.00 0.00 O ATOM 1054 CB LYS A 66 3.533 -6.444 -20.519 1.00 0.00 C ATOM 1055 CG LYS A 66 5.033 -6.110 -20.666 1.00 0.00 C ATOM 1056 CD LYS A 66 5.998 -7.298 -20.462 1.00 0.00 C ATOM 1057 CE LYS A 66 5.640 -8.547 -21.285 1.00 0.00 C ATOM 1058 NZ LYS A 66 5.938 -8.373 -22.721 1.00 0.00 N ATOM 0 H LYS A 66 1.176 -7.005 -19.805 1.00 0.00 H new ATOM 0 HA LYS A 66 3.799 -7.985 -19.058 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.237 -7.116 -21.325 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.951 -5.530 -20.637 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.200 -5.695 -21.660 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.287 -5.330 -19.948 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.008 -6.981 -20.723 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.011 -7.564 -19.405 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.194 -9.404 -20.902 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.581 -8.771 -21.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.681 -9.239 -23.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.390 -7.572 -23.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.953 -8.185 -22.845 1.00 0.00 H new ATOM 1072 N VAL A 67 4.504 -6.419 -17.235 1.00 0.00 N ATOM 1073 CA VAL A 67 5.076 -5.470 -16.279 1.00 0.00 C ATOM 1074 C VAL A 67 6.100 -4.594 -16.991 1.00 0.00 C ATOM 1075 O VAL A 67 6.996 -5.109 -17.660 1.00 0.00 O ATOM 1076 CB VAL A 67 5.747 -6.188 -15.095 1.00 0.00 C ATOM 1077 CG1 VAL A 67 6.164 -5.180 -14.017 1.00 0.00 C ATOM 1078 CG2 VAL A 67 4.794 -7.187 -14.440 1.00 0.00 C ATOM 0 H VAL A 67 4.971 -7.326 -17.241 1.00 0.00 H new ATOM 0 HA VAL A 67 4.265 -4.859 -15.882 1.00 0.00 H new ATOM 0 HB VAL A 67 6.618 -6.708 -15.495 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.636 -5.708 -13.189 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.869 -4.465 -14.441 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.283 -4.650 -13.654 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.298 -7.678 -13.607 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.913 -6.662 -14.072 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.491 -7.935 -15.173 1.00 0.00 H new ATOM 1088 N TYR A 68 5.992 -3.278 -16.809 1.00 0.00 N ATOM 1089 CA TYR A 68 6.994 -2.317 -17.241 1.00 0.00 C ATOM 1090 C TYR A 68 7.413 -1.408 -16.078 1.00 0.00 C ATOM 1091 O TYR A 68 6.596 -1.018 -15.240 1.00 0.00 O ATOM 1092 CB TYR A 68 6.436 -1.518 -18.420 1.00 0.00 C ATOM 1093 CG TYR A 68 7.495 -0.804 -19.232 1.00 0.00 C ATOM 1094 CD1 TYR A 68 8.212 -1.517 -20.212 1.00 0.00 C ATOM 1095 CD2 TYR A 68 7.765 0.562 -19.009 1.00 0.00 C ATOM 1096 CE1 TYR A 68 9.196 -0.869 -20.981 1.00 0.00 C ATOM 1097 CE2 TYR A 68 8.754 1.210 -19.771 1.00 0.00 C ATOM 1098 CZ TYR A 68 9.466 0.499 -20.762 1.00 0.00 C ATOM 1099 OH TYR A 68 10.418 1.132 -21.497 1.00 0.00 O ATOM 0 H TYR A 68 5.190 -2.847 -16.349 1.00 0.00 H new ATOM 0 HA TYR A 68 7.893 -2.839 -17.568 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.883 -2.192 -19.074 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.724 -0.784 -18.044 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.006 -2.565 -20.374 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.215 1.108 -18.257 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.742 -1.416 -21.735 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.969 2.254 -19.598 1.00 0.00 H new ATOM 0 HH TYR A 68 10.476 2.070 -21.219 1.00 0.00 H new ATOM 1109 N TYR A 69 8.698 -1.049 -16.059 1.00 0.00 N ATOM 1110 CA TYR A 69 9.323 -0.234 -15.024 1.00 0.00 C ATOM 1111 C TYR A 69 9.788 1.088 -15.634 1.00 0.00 C ATOM 1112 O TYR A 69 10.734 1.142 -16.423 1.00 0.00 O ATOM 1113 CB TYR A 69 10.438 -1.026 -14.325 1.00 0.00 C ATOM 1114 CG TYR A 69 9.898 -2.134 -13.435 1.00 0.00 C ATOM 1115 CD1 TYR A 69 9.357 -1.803 -12.176 1.00 0.00 C ATOM 1116 CD2 TYR A 69 9.883 -3.477 -13.870 1.00 0.00 C ATOM 1117 CE1 TYR A 69 8.795 -2.806 -11.365 1.00 0.00 C ATOM 1118 CE2 TYR A 69 9.316 -4.483 -13.065 1.00 0.00 C ATOM 1119 CZ TYR A 69 8.763 -4.146 -11.811 1.00 0.00 C ATOM 1120 OH TYR A 69 8.222 -5.106 -11.013 1.00 0.00 O ATOM 0 H TYR A 69 9.352 -1.329 -16.790 1.00 0.00 H new ATOM 0 HA TYR A 69 8.605 0.016 -14.243 1.00 0.00 H new ATOM 0 HB2 TYR A 69 11.098 -1.458 -15.077 1.00 0.00 H new ATOM 0 HB3 TYR A 69 11.041 -0.345 -13.725 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.374 -0.779 -11.834 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.310 -3.735 -14.828 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.387 -2.551 -10.398 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.304 -5.508 -13.405 1.00 0.00 H new ATOM 0 HH TYR A 69 7.944 -5.869 -11.562 1.00 0.00 H new ATOM 1130 N PHE A 70 9.072 2.155 -15.280 1.00 0.00 N ATOM 1131 CA PHE A 70 9.256 3.530 -15.735 1.00 0.00 C ATOM 1132 C PHE A 70 9.662 4.307 -14.488 1.00 0.00 C ATOM 1133 O PHE A 70 8.783 4.757 -13.770 1.00 0.00 O ATOM 1134 CB PHE A 70 7.904 3.976 -16.321 1.00 0.00 C ATOM 1135 CG PHE A 70 7.772 5.360 -16.941 1.00 0.00 C ATOM 1136 CD1 PHE A 70 8.355 6.519 -16.388 1.00 0.00 C ATOM 1137 CD2 PHE A 70 6.978 5.486 -18.091 1.00 0.00 C ATOM 1138 CE1 PHE A 70 8.198 7.766 -17.016 1.00 0.00 C ATOM 1139 CE2 PHE A 70 6.825 6.728 -18.726 1.00 0.00 C ATOM 1140 CZ PHE A 70 7.450 7.870 -18.196 1.00 0.00 C ATOM 0 H PHE A 70 8.296 2.074 -14.623 1.00 0.00 H new ATOM 0 HA PHE A 70 10.014 3.676 -16.505 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.624 3.249 -17.083 1.00 0.00 H new ATOM 0 HB3 PHE A 70 7.164 3.904 -15.524 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.927 6.447 -15.475 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.479 4.617 -18.492 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.655 8.646 -16.588 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.227 6.806 -19.622 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.354 8.823 -18.696 1.00 0.00 H new ATOM 1224 N LEU A 77 5.147 9.165 -14.903 1.00 0.00 N ATOM 1225 CA LEU A 77 4.033 9.331 -15.846 1.00 0.00 C ATOM 1226 C LEU A 77 2.652 9.622 -15.229 1.00 0.00 C ATOM 1227 O LEU A 77 1.666 9.603 -15.964 1.00 0.00 O ATOM 1228 CB LEU A 77 4.024 8.197 -16.892 1.00 0.00 C ATOM 1229 CG LEU A 77 3.230 6.915 -16.576 1.00 0.00 C ATOM 1230 CD1 LEU A 77 3.184 6.024 -17.819 1.00 0.00 C ATOM 1231 CD2 LEU A 77 3.849 6.120 -15.431 1.00 0.00 C ATOM 0 HA LEU A 77 4.238 10.268 -16.364 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.634 8.608 -17.823 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.059 7.909 -17.079 1.00 0.00 H new ATOM 0 HG LEU A 77 2.228 7.220 -16.276 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.622 5.117 -17.596 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.698 6.561 -18.634 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.199 5.759 -18.114 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.254 5.226 -15.246 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.866 5.831 -15.697 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.870 6.735 -14.531 1.00 0.00 H new ATOM 1243 N GLY A 78 2.546 10.004 -13.948 1.00 0.00 N ATOM 1244 CA GLY A 78 1.375 10.742 -13.447 1.00 0.00 C ATOM 1245 C GLY A 78 1.031 11.915 -14.375 1.00 0.00 C ATOM 1246 O GLY A 78 -0.125 12.097 -14.771 1.00 0.00 O ATOM 0 H GLY A 78 3.255 9.815 -13.240 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.521 10.069 -13.372 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.577 11.114 -12.443 1.00 0.00 H new ATOM 1250 N THR A 79 2.084 12.604 -14.839 1.00 0.00 N ATOM 1251 CA THR A 79 2.105 13.587 -15.935 1.00 0.00 C ATOM 1252 C THR A 79 1.383 13.134 -17.213 1.00 0.00 C ATOM 1253 O THR A 79 0.718 13.951 -17.852 1.00 0.00 O ATOM 1254 CB THR A 79 3.569 13.945 -16.260 1.00 0.00 C ATOM 1255 OG1 THR A 79 4.205 14.420 -15.094 1.00 0.00 O ATOM 1256 CG2 THR A 79 3.703 15.059 -17.299 1.00 0.00 C ATOM 0 H THR A 79 3.010 12.481 -14.430 1.00 0.00 H new ATOM 0 HA THR A 79 1.551 14.456 -15.580 1.00 0.00 H new ATOM 0 HB THR A 79 4.019 13.033 -16.652 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.136 14.646 -15.298 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.758 15.261 -17.481 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.227 14.748 -18.229 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.219 15.963 -16.928 1.00 0.00 H new ATOM 1264 N ALA A 80 1.474 11.857 -17.608 1.00 0.00 N ATOM 1265 CA ALA A 80 0.756 11.300 -18.756 1.00 0.00 C ATOM 1266 C ALA A 80 -0.736 11.102 -18.446 1.00 0.00 C ATOM 1267 O ALA A 80 -1.580 11.570 -19.212 1.00 0.00 O ATOM 1268 CB ALA A 80 1.410 9.977 -19.190 1.00 0.00 C ATOM 0 H ALA A 80 2.059 11.173 -17.129 1.00 0.00 H new ATOM 0 HA ALA A 80 0.821 12.012 -19.579 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.871 9.568 -20.044 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.448 10.159 -19.469 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.375 9.266 -18.365 1.00 0.00 H new ATOM 1274 N VAL A 81 -1.040 10.417 -17.335 1.00 0.00 N ATOM 1275 CA VAL A 81 -2.331 9.749 -17.080 1.00 0.00 C ATOM 1276 C VAL A 81 -3.355 10.540 -16.254 1.00 0.00 C ATOM 1277 O VAL A 81 -4.554 10.285 -16.380 1.00 0.00 O ATOM 1278 CB VAL A 81 -2.092 8.396 -16.386 1.00 0.00 C ATOM 1279 CG1 VAL A 81 -1.214 7.475 -17.230 1.00 0.00 C ATOM 1280 CG2 VAL A 81 -1.443 8.549 -15.003 1.00 0.00 C ATOM 0 H VAL A 81 -0.379 10.307 -16.566 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.772 9.641 -18.071 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.081 7.955 -16.265 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.069 6.530 -16.706 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.699 7.288 -18.188 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.247 7.949 -17.399 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.297 7.564 -14.559 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.479 9.047 -15.107 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.092 9.145 -14.361 1.00 0.00 H new ATOM 1405 N VAL A 89 1.718 3.777 -9.822 1.00 0.00 N ATOM 1406 CA VAL A 89 1.471 2.687 -10.772 1.00 0.00 C ATOM 1407 C VAL A 89 0.241 2.991 -11.631 1.00 0.00 C ATOM 1408 O VAL A 89 -0.787 3.463 -11.137 1.00 0.00 O ATOM 1409 CB VAL A 89 1.374 1.338 -10.021 1.00 0.00 C ATOM 1410 CG1 VAL A 89 0.324 1.339 -8.898 1.00 0.00 C ATOM 1411 CG2 VAL A 89 1.090 0.155 -10.954 1.00 0.00 C ATOM 0 HA VAL A 89 2.312 2.603 -11.461 1.00 0.00 H new ATOM 0 HB VAL A 89 2.361 1.214 -9.576 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.309 0.363 -8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.577 2.104 -8.164 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.659 1.550 -9.319 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.033 -0.764 -10.370 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.143 0.317 -11.469 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.892 0.069 -11.687 1.00 0.00 H new ATOM 1421 N VAL A 90 0.368 2.666 -12.918 1.00 0.00 N ATOM 1422 CA VAL A 90 -0.681 2.689 -13.939 1.00 0.00 C ATOM 1423 C VAL A 90 -0.944 1.249 -14.362 1.00 0.00 C ATOM 1424 O VAL A 90 -0.055 0.390 -14.305 1.00 0.00 O ATOM 1425 CB VAL A 90 -0.233 3.513 -15.171 1.00 0.00 C ATOM 1426 CG1 VAL A 90 -1.350 3.720 -16.206 1.00 0.00 C ATOM 1427 CG2 VAL A 90 0.331 4.886 -14.779 1.00 0.00 C ATOM 0 H VAL A 90 1.263 2.360 -13.300 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.581 3.152 -13.533 1.00 0.00 H new ATOM 0 HB VAL A 90 0.553 2.911 -15.628 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.967 4.305 -17.042 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.694 2.751 -16.568 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.182 4.251 -15.743 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.631 5.426 -15.677 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.434 5.456 -14.251 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.196 4.752 -14.130 1.00 0.00 H new ATOM 1437 N SER A 91 -2.144 0.937 -14.842 1.00 0.00 N ATOM 1438 CA SER A 91 -2.340 -0.257 -15.662 1.00 0.00 C ATOM 1439 C SER A 91 -3.394 -0.002 -16.740 1.00 0.00 C ATOM 1440 O SER A 91 -4.256 0.858 -16.563 1.00 0.00 O ATOM 1441 CB SER A 91 -2.680 -1.452 -14.768 1.00 0.00 C ATOM 1442 OG SER A 91 -1.816 -1.492 -13.642 1.00 0.00 O ATOM 0 H SER A 91 -2.988 1.487 -14.681 1.00 0.00 H new ATOM 0 HA SER A 91 -1.415 -0.498 -16.186 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.716 -1.383 -14.437 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.589 -2.377 -15.337 1.00 0.00 H new ATOM 0 HG SER A 91 -0.943 -1.120 -13.886 1.00 0.00 H new ATOM 1448 N ILE A 92 -3.316 -0.740 -17.853 1.00 0.00 N ATOM 1449 CA ILE A 92 -4.196 -0.605 -19.020 1.00 0.00 C ATOM 1450 C ILE A 92 -4.851 -1.965 -19.324 1.00 0.00 C ATOM 1451 O ILE A 92 -4.204 -3.025 -19.271 1.00 0.00 O ATOM 1452 CB ILE A 92 -3.464 -0.034 -20.266 1.00 0.00 C ATOM 1453 CG1 ILE A 92 -2.398 1.065 -20.023 1.00 0.00 C ATOM 1454 CG2 ILE A 92 -4.503 0.489 -21.276 1.00 0.00 C ATOM 1455 CD1 ILE A 92 -2.909 2.441 -19.592 1.00 0.00 C ATOM 0 H ILE A 92 -2.615 -1.472 -17.970 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.969 0.123 -18.775 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.893 -0.883 -20.644 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.708 0.705 -19.260 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.823 1.189 -20.941 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.991 0.890 -22.151 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.157 -0.328 -21.581 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.098 1.276 -20.812 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.064 3.116 -19.456 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.572 2.840 -20.360 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.455 2.349 -18.653 1.00 0.00 H new ATOM 1467 N LEU A 93 -6.154 -1.902 -19.633 1.00 0.00 N ATOM 1468 CA LEU A 93 -7.066 -3.040 -19.752 1.00 0.00 C ATOM 1469 C LEU A 93 -7.604 -3.209 -21.182 1.00 0.00 C ATOM 1470 O LEU A 93 -7.542 -4.307 -21.735 1.00 0.00 O ATOM 1471 CB LEU A 93 -8.233 -2.888 -18.756 1.00 0.00 C ATOM 1472 CG LEU A 93 -7.864 -2.753 -17.260 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -7.599 -1.309 -16.813 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -9.036 -3.271 -16.420 1.00 0.00 C ATOM 0 H LEU A 93 -6.619 -1.012 -19.815 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.498 -3.940 -19.514 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.812 -2.010 -19.043 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.888 -3.752 -18.867 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.946 -3.323 -17.119 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.347 -1.297 -15.753 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.770 -0.896 -17.388 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.492 -0.707 -16.980 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.792 -3.183 -15.361 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.927 -2.682 -16.637 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.224 -4.317 -16.663 1.00 0.00 H new ATOM 1486 N GLU A 94 -8.122 -2.130 -21.783 1.00 0.00 N ATOM 1487 CA GLU A 94 -8.631 -2.097 -23.159 1.00 0.00 C ATOM 1488 C GLU A 94 -8.152 -0.827 -23.870 1.00 0.00 C ATOM 1489 O GLU A 94 -8.795 0.222 -23.784 1.00 0.00 O ATOM 1490 CB GLU A 94 -10.171 -2.184 -23.218 1.00 0.00 C ATOM 1491 CG GLU A 94 -10.762 -3.571 -22.926 1.00 0.00 C ATOM 1492 CD GLU A 94 -11.510 -3.609 -21.591 1.00 0.00 C ATOM 1493 OE1 GLU A 94 -10.859 -3.918 -20.567 1.00 0.00 O ATOM 1494 OE2 GLU A 94 -12.734 -3.346 -21.602 1.00 0.00 O ATOM 0 H GLU A 94 -8.200 -1.229 -21.311 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.235 -2.975 -23.669 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.586 -1.473 -22.504 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.498 -1.869 -24.209 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.442 -3.851 -23.730 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.961 -4.310 -22.914 1.00 0.00 H new ATOM 1501 N ALA A 95 -7.031 -0.914 -24.592 1.00 0.00 N ATOM 1502 CA ALA A 95 -6.641 0.103 -25.563 1.00 0.00 C ATOM 1503 C ALA A 95 -7.520 -0.007 -26.819 1.00 0.00 C ATOM 1504 O ALA A 95 -7.118 -0.604 -27.817 1.00 0.00 O ATOM 1505 CB ALA A 95 -5.143 0.023 -25.894 1.00 0.00 C ATOM 0 H ALA A 95 -6.373 -1.690 -24.518 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.804 1.087 -25.123 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.889 0.795 -26.620 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.561 0.174 -24.985 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.915 -0.957 -26.312 1.00 0.00 H new ATOM 1511 N GLY A 96 -8.709 0.611 -26.797 1.00 0.00 N ATOM 1512 CA GLY A 96 -9.544 0.854 -27.987 1.00 0.00 C ATOM 1513 C GLY A 96 -8.942 1.912 -28.925 1.00 0.00 C ATOM 1514 O GLY A 96 -9.654 2.780 -29.418 1.00 0.00 O ATOM 0 H GLY A 96 -9.127 0.964 -25.936 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.672 -0.080 -28.534 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.536 1.176 -27.671 1.00 0.00 H new ATOM 1518 N ASP A 97 -7.619 1.870 -29.097 1.00 0.00 N ATOM 1519 CA ASP A 97 -6.751 2.970 -29.502 1.00 0.00 C ATOM 1520 C ASP A 97 -5.495 2.385 -30.198 1.00 0.00 C ATOM 1521 O ASP A 97 -5.585 1.334 -30.836 1.00 0.00 O ATOM 1522 CB ASP A 97 -6.431 3.783 -28.229 1.00 0.00 C ATOM 1523 CG ASP A 97 -6.116 5.236 -28.557 1.00 0.00 C ATOM 1524 OD1 ASP A 97 -5.041 5.474 -29.147 1.00 0.00 O ATOM 1525 OD2 ASP A 97 -6.953 6.127 -28.262 1.00 0.00 O ATOM 0 H ASP A 97 -7.094 1.008 -28.946 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.218 3.639 -30.225 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.279 3.739 -27.546 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.582 3.334 -27.713 1.00 0.00 H new ATOM 1530 N SER A 98 -4.319 3.025 -30.098 1.00 0.00 N ATOM 1531 CA SER A 98 -3.054 2.390 -30.487 1.00 0.00 C ATOM 1532 C SER A 98 -2.823 1.079 -29.723 1.00 0.00 C ATOM 1533 O SER A 98 -3.109 0.907 -28.539 1.00 0.00 O ATOM 1534 CB SER A 98 -1.854 3.353 -30.372 1.00 0.00 C ATOM 1535 OG SER A 98 -0.559 2.740 -30.385 1.00 0.00 O ATOM 0 H SER A 98 -4.220 3.979 -29.752 1.00 0.00 H new ATOM 0 HA SER A 98 -3.138 2.134 -31.543 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.905 4.067 -31.194 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.956 3.922 -29.448 1.00 0.00 H new ATOM 0 HG SER A 98 -0.458 2.207 -31.201 1.00 0.00 H new ATOM 1541 N ASP A 99 -2.161 0.194 -30.451 1.00 0.00 N ATOM 1542 CA ASP A 99 -1.702 -1.172 -30.258 1.00 0.00 C ATOM 1543 C ASP A 99 -0.879 -1.476 -28.990 1.00 0.00 C ATOM 1544 O ASP A 99 -0.406 -2.601 -28.860 1.00 0.00 O ATOM 1545 CB ASP A 99 -0.801 -1.393 -31.489 1.00 0.00 C ATOM 1546 CG ASP A 99 0.332 -0.349 -31.501 1.00 0.00 C ATOM 1547 OD1 ASP A 99 0.062 0.835 -31.841 1.00 0.00 O ATOM 1548 OD2 ASP A 99 1.439 -0.643 -30.992 1.00 0.00 O ATOM 0 H ASP A 99 -1.878 0.488 -31.386 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.570 -1.820 -30.140 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -0.381 -2.399 -31.468 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.391 -1.313 -32.402 1.00 0.00 H new ATOM 1553 N ILE A 100 -0.676 -0.527 -28.066 1.00 0.00 N ATOM 1554 CA ILE A 100 0.367 -0.606 -27.026 1.00 0.00 C ATOM 1555 C ILE A 100 0.375 -1.939 -26.262 1.00 0.00 C ATOM 1556 O ILE A 100 1.417 -2.579 -26.134 1.00 0.00 O ATOM 1557 CB ILE A 100 0.306 0.627 -26.091 1.00 0.00 C ATOM 1558 CG1 ILE A 100 1.639 0.762 -25.331 1.00 0.00 C ATOM 1559 CG2 ILE A 100 -0.875 0.588 -25.100 1.00 0.00 C ATOM 1560 CD1 ILE A 100 1.778 2.064 -24.534 1.00 0.00 C ATOM 0 H ILE A 100 -1.234 0.325 -28.016 1.00 0.00 H new ATOM 0 HA ILE A 100 1.328 -0.583 -27.539 1.00 0.00 H new ATOM 0 HB ILE A 100 0.141 1.499 -26.724 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.742 -0.082 -24.649 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.460 0.697 -26.045 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.856 1.482 -24.476 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.813 0.551 -25.653 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.791 -0.297 -24.469 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.744 2.080 -24.029 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.709 2.915 -25.212 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.980 2.124 -23.794 1.00 0.00 H new ATOM 1572 N LEU A 101 -0.794 -2.394 -25.809 1.00 0.00 N ATOM 1573 CA LEU A 101 -0.952 -3.640 -25.062 1.00 0.00 C ATOM 1574 C LEU A 101 -0.861 -4.925 -25.909 1.00 0.00 C ATOM 1575 O LEU A 101 -0.751 -6.010 -25.337 1.00 0.00 O ATOM 1576 CB LEU A 101 -2.163 -3.607 -24.134 1.00 0.00 C ATOM 1577 CG LEU A 101 -3.427 -2.842 -24.553 1.00 0.00 C ATOM 1578 CD1 LEU A 101 -4.613 -3.742 -24.895 1.00 0.00 C ATOM 1579 CD2 LEU A 101 -3.751 -1.983 -23.341 1.00 0.00 C ATOM 0 H LEU A 101 -1.673 -1.897 -25.954 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.070 -3.697 -24.425 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.456 -4.640 -23.945 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.832 -3.191 -23.183 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.247 -2.277 -25.468 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.466 -3.127 -25.181 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.345 -4.398 -25.723 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.875 -4.344 -24.025 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.646 -1.393 -23.542 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.925 -2.624 -22.477 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.915 -1.315 -23.135 1.00 0.00 H new