USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1003 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 Single : A 6 SER OG : rot 39:sc= 0.00522 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc=-0.00365 K(o=-0.0037,f=-1) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.0211 X(o=-0.021,f=-0.3) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0787 K(o=-0.079,f=-0.61) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.41 K(o=-0.41,f=-3!) USER MOD Single : A 46 ASN : amide:sc= -0.016 X(o=-0.016,f=0.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -2.04 K(o=-2,f=-3.6!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0134 X(o=-0.013,f=-0.037) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0389 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 123:sc= -0.465 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 91 ASN : amide:sc= -1.75 K(o=-1.8,f=-4.9!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.6!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -33:sc= 0.465 USER MOD Single : A 104 THR OG1 : rot 86:sc= 0.662 USER MOD Single : A 107 ASN : amide:sc= -0.953 K(o=-0.95,f=-5.3!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 114 THR OG1 : rot -100:sc= -0.471 USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N SER A 6 -11.392 -7.874 -5.360 1.00 0.00 N ATOM 68 CA SER A 6 -11.786 -6.527 -5.735 1.00 0.00 C ATOM 69 C SER A 6 -12.832 -5.995 -4.752 1.00 0.00 C ATOM 70 O SER A 6 -14.019 -6.281 -4.890 1.00 0.00 O ATOM 71 CB SER A 6 -12.333 -6.491 -7.164 1.00 0.00 C ATOM 72 OG SER A 6 -12.533 -5.158 -7.625 1.00 0.00 O ATOM 0 HA SER A 6 -10.903 -5.889 -5.697 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.640 -7.005 -7.830 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.277 -7.034 -7.205 1.00 0.00 H new ATOM 0 HG SER A 6 -11.803 -4.588 -7.305 1.00 0.00 H new ATOM 78 N GLY A 7 -12.351 -5.230 -3.783 1.00 0.00 N ATOM 79 CA GLY A 7 -13.229 -4.655 -2.779 1.00 0.00 C ATOM 80 C GLY A 7 -12.783 -3.240 -2.405 1.00 0.00 C ATOM 81 O GLY A 7 -11.960 -2.642 -3.096 1.00 0.00 O ATOM 0 H GLY A 7 -11.365 -4.995 -3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.251 -4.630 -3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.233 -5.286 -1.890 1.00 0.00 H new ATOM 85 N LYS A 8 -13.346 -2.746 -1.313 1.00 0.00 N ATOM 86 CA LYS A 8 -13.018 -1.413 -0.838 1.00 0.00 C ATOM 87 C LYS A 8 -12.784 -1.456 0.673 1.00 0.00 C ATOM 88 O LYS A 8 -13.485 -2.166 1.392 1.00 0.00 O ATOM 89 CB LYS A 8 -14.092 -0.411 -1.266 1.00 0.00 C ATOM 90 CG LYS A 8 -14.078 -0.205 -2.783 1.00 0.00 C ATOM 91 CD LYS A 8 -15.478 -0.379 -3.373 1.00 0.00 C ATOM 92 CE LYS A 8 -15.551 -1.628 -4.252 1.00 0.00 C ATOM 93 NZ LYS A 8 -16.327 -1.352 -5.482 1.00 0.00 N ATOM 0 H LYS A 8 -14.028 -3.246 -0.743 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.091 -1.065 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.073 -0.768 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.925 0.542 -0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.703 0.792 -3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.394 -0.918 -3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.209 -0.453 -2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.740 0.500 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.545 -1.954 -4.515 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.015 -2.444 -3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.367 -2.211 -6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.293 -1.063 -5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.868 -0.588 -6.018 1.00 0.00 H new ATOM 106 N TYR A 9 -11.797 -0.689 1.110 1.00 0.00 N ATOM 107 CA TYR A 9 -11.462 -0.631 2.523 1.00 0.00 C ATOM 108 C TYR A 9 -11.135 0.802 2.951 1.00 0.00 C ATOM 109 O TYR A 9 -10.458 1.530 2.226 1.00 0.00 O ATOM 110 CB TYR A 9 -10.216 -1.500 2.698 1.00 0.00 C ATOM 111 CG TYR A 9 -10.519 -2.969 3.003 1.00 0.00 C ATOM 112 CD1 TYR A 9 -10.953 -3.808 1.996 1.00 0.00 C ATOM 113 CD2 TYR A 9 -10.361 -3.453 4.285 1.00 0.00 C ATOM 114 CE1 TYR A 9 -11.238 -5.190 2.284 1.00 0.00 C ATOM 115 CE2 TYR A 9 -10.646 -4.835 4.573 1.00 0.00 C ATOM 116 CZ TYR A 9 -11.070 -5.635 3.558 1.00 0.00 C ATOM 117 OH TYR A 9 -11.341 -6.939 3.830 1.00 0.00 O ATOM 0 H TYR A 9 -11.218 -0.102 0.510 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.299 -0.975 3.130 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.616 -1.444 1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.610 -1.089 3.506 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -11.079 -3.428 0.993 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -10.024 -2.796 5.073 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -11.577 -5.858 1.506 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -10.526 -5.227 5.572 1.00 0.00 H new ATOM 0 HH TYR A 9 -11.175 -7.116 4.779 1.00 0.00 H new ATOM 127 N GLN A 10 -11.630 1.162 4.125 1.00 0.00 N ATOM 128 CA GLN A 10 -11.399 2.494 4.658 1.00 0.00 C ATOM 129 C GLN A 10 -10.447 2.430 5.854 1.00 0.00 C ATOM 130 O GLN A 10 -10.586 1.564 6.717 1.00 0.00 O ATOM 131 CB GLN A 10 -12.718 3.168 5.043 1.00 0.00 C ATOM 132 CG GLN A 10 -12.645 4.681 4.824 1.00 0.00 C ATOM 133 CD GLN A 10 -13.877 5.379 5.404 1.00 0.00 C ATOM 134 OE1 GLN A 10 -14.480 4.931 6.367 1.00 0.00 O ATOM 135 NE2 GLN A 10 -14.216 6.496 4.768 1.00 0.00 N ATOM 0 H GLN A 10 -12.190 0.555 4.723 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.934 3.099 3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.531 2.750 4.450 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.946 2.959 6.088 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.744 5.077 5.293 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.570 4.895 3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.668 6.814 3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.024 7.035 5.079 1.00 0.00 H new ATOM 144 N LEU A 11 -9.500 3.356 5.867 1.00 0.00 N ATOM 145 CA LEU A 11 -8.525 3.415 6.942 1.00 0.00 C ATOM 146 C LEU A 11 -9.252 3.350 8.288 1.00 0.00 C ATOM 147 O LEU A 11 -10.337 3.910 8.439 1.00 0.00 O ATOM 148 CB LEU A 11 -7.629 4.646 6.786 1.00 0.00 C ATOM 149 CG LEU A 11 -8.211 5.968 7.291 1.00 0.00 C ATOM 150 CD1 LEU A 11 -9.554 6.266 6.622 1.00 0.00 C ATOM 151 CD2 LEU A 11 -8.315 5.974 8.817 1.00 0.00 C ATOM 0 H LEU A 11 -9.387 4.072 5.149 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.857 2.555 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.693 4.459 7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.383 4.760 5.730 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.528 6.771 7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.946 7.211 6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.416 6.334 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.258 5.465 6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.732 6.925 9.150 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.964 5.160 9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.323 5.841 9.250 1.00 0.00 H new ATOM 163 N GLN A 12 -8.624 2.664 9.231 1.00 0.00 N ATOM 164 CA GLN A 12 -9.197 2.519 10.558 1.00 0.00 C ATOM 165 C GLN A 12 -8.212 3.015 11.618 1.00 0.00 C ATOM 166 O GLN A 12 -8.390 4.097 12.178 1.00 0.00 O ATOM 167 CB GLN A 12 -9.603 1.068 10.824 1.00 0.00 C ATOM 168 CG GLN A 12 -10.970 0.998 11.508 1.00 0.00 C ATOM 169 CD GLN A 12 -10.821 0.983 13.031 1.00 0.00 C ATOM 170 OE1 GLN A 12 -10.354 0.024 13.625 1.00 0.00 O ATOM 171 NE2 GLN A 12 -11.243 2.094 13.627 1.00 0.00 N ATOM 0 H GLN A 12 -7.724 2.202 9.102 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.098 3.130 10.612 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.634 0.517 9.884 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.853 0.586 11.451 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.576 1.853 11.207 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.498 0.102 11.182 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.623 2.859 13.070 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.186 2.181 14.642 1.00 0.00 H new ATOM 180 N SER A 13 -7.194 2.203 11.863 1.00 0.00 N ATOM 181 CA SER A 13 -6.182 2.546 12.846 1.00 0.00 C ATOM 182 C SER A 13 -4.793 2.505 12.204 1.00 0.00 C ATOM 183 O SER A 13 -4.564 1.747 11.263 1.00 0.00 O ATOM 184 CB SER A 13 -6.239 1.602 14.048 1.00 0.00 C ATOM 185 OG SER A 13 -7.554 1.504 14.589 1.00 0.00 O ATOM 0 H SER A 13 -7.049 1.308 11.397 1.00 0.00 H new ATOM 0 HA SER A 13 -6.381 3.557 13.203 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.896 0.612 13.748 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.555 1.956 14.820 1.00 0.00 H new ATOM 0 HG SER A 13 -7.548 0.891 15.353 1.00 0.00 H new ATOM 191 N GLN A 14 -3.905 3.328 12.739 1.00 0.00 N ATOM 192 CA GLN A 14 -2.545 3.395 12.230 1.00 0.00 C ATOM 193 C GLN A 14 -1.561 3.651 13.373 1.00 0.00 C ATOM 194 O GLN A 14 -1.930 4.226 14.396 1.00 0.00 O ATOM 195 CB GLN A 14 -2.417 4.468 11.147 1.00 0.00 C ATOM 196 CG GLN A 14 -2.709 5.858 11.715 1.00 0.00 C ATOM 197 CD GLN A 14 -3.740 6.595 10.857 1.00 0.00 C ATOM 198 OE1 GLN A 14 -3.545 6.838 9.678 1.00 0.00 O ATOM 199 NE2 GLN A 14 -4.845 6.936 11.513 1.00 0.00 N ATOM 0 H GLN A 14 -4.100 3.955 13.520 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.301 2.435 11.775 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.412 4.447 10.726 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.108 4.252 10.332 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.079 5.767 12.736 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.787 6.438 11.760 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.944 6.702 12.501 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.593 7.432 11.028 1.00 0.00 H new ATOM 208 N GLU A 15 -0.330 3.211 13.162 1.00 0.00 N ATOM 209 CA GLU A 15 0.709 3.385 14.162 1.00 0.00 C ATOM 210 C GLU A 15 1.837 4.261 13.611 1.00 0.00 C ATOM 211 O GLU A 15 2.407 3.958 12.564 1.00 0.00 O ATOM 212 CB GLU A 15 1.247 2.033 14.636 1.00 0.00 C ATOM 213 CG GLU A 15 0.546 1.583 15.919 1.00 0.00 C ATOM 214 CD GLU A 15 0.527 0.057 16.026 1.00 0.00 C ATOM 215 OE1 GLU A 15 -0.082 -0.616 15.180 1.00 0.00 O ATOM 216 OE2 GLU A 15 1.174 -0.427 17.031 1.00 0.00 O ATOM 0 H GLU A 15 -0.028 2.734 12.312 1.00 0.00 H new ATOM 0 HA GLU A 15 0.273 3.888 15.025 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.101 1.286 13.856 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.321 2.106 14.810 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.057 2.006 16.784 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.475 1.965 15.933 1.00 0.00 H new ATOM 224 N ASN A 16 2.123 5.331 14.340 1.00 0.00 N ATOM 225 CA ASN A 16 3.170 6.252 13.936 1.00 0.00 C ATOM 226 C ASN A 16 3.071 6.503 12.430 1.00 0.00 C ATOM 227 O ASN A 16 3.876 5.988 11.657 1.00 0.00 O ATOM 228 CB ASN A 16 4.556 5.672 14.227 1.00 0.00 C ATOM 229 CG ASN A 16 5.127 6.244 15.527 1.00 0.00 C ATOM 230 OD1 ASN A 16 5.383 7.431 15.653 1.00 0.00 O ATOM 231 ND2 ASN A 16 5.314 5.337 16.481 1.00 0.00 N ATOM 0 H ASN A 16 1.647 5.579 15.207 1.00 0.00 H new ATOM 0 HA ASN A 16 3.040 7.177 14.498 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.492 4.586 14.300 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.229 5.897 13.400 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.693 5.619 17.385 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.078 4.360 16.309 1.00 0.00 H new ATOM 238 N PHE A 17 2.076 7.296 12.060 1.00 0.00 N ATOM 239 CA PHE A 17 1.860 7.622 10.660 1.00 0.00 C ATOM 240 C PHE A 17 2.859 8.679 10.183 1.00 0.00 C ATOM 241 O PHE A 17 3.458 8.537 9.120 1.00 0.00 O ATOM 242 CB PHE A 17 0.443 8.189 10.546 1.00 0.00 C ATOM 243 CG PHE A 17 0.177 9.387 11.460 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.513 10.640 11.052 1.00 0.00 C ATOM 245 CD2 PHE A 17 -0.396 9.199 12.678 1.00 0.00 C ATOM 246 CE1 PHE A 17 0.265 11.753 11.899 1.00 0.00 C ATOM 247 CE2 PHE A 17 -0.643 10.312 13.526 1.00 0.00 C ATOM 248 CZ PHE A 17 -0.308 11.565 13.118 1.00 0.00 C ATOM 0 H PHE A 17 1.411 7.722 12.705 1.00 0.00 H new ATOM 0 HA PHE A 17 1.993 6.731 10.046 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.264 8.486 9.513 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.273 7.401 10.780 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.968 10.789 10.084 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.664 8.204 13.001 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.531 12.748 11.575 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.097 10.163 14.495 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.497 12.411 13.762 1.00 0.00 H new ATOM 258 N GLU A 18 3.007 9.716 10.994 1.00 0.00 N ATOM 259 CA GLU A 18 3.922 10.796 10.670 1.00 0.00 C ATOM 260 C GLU A 18 5.363 10.283 10.648 1.00 0.00 C ATOM 261 O GLU A 18 6.227 10.870 9.998 1.00 0.00 O ATOM 262 CB GLU A 18 3.770 11.960 11.652 1.00 0.00 C ATOM 263 CG GLU A 18 4.566 11.703 12.933 1.00 0.00 C ATOM 264 CD GLU A 18 4.017 12.534 14.095 1.00 0.00 C ATOM 265 OE1 GLU A 18 4.789 13.207 14.794 1.00 0.00 O ATOM 266 OE2 GLU A 18 2.740 12.465 14.258 1.00 0.00 O ATOM 0 H GLU A 18 2.508 9.831 11.876 1.00 0.00 H new ATOM 0 HA GLU A 18 3.674 11.168 9.676 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.114 12.882 11.184 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.717 12.100 11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.523 10.644 13.186 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.615 11.949 12.769 1.00 0.00 H new ATOM 274 N ALA A 19 5.579 9.190 11.367 1.00 0.00 N ATOM 275 CA ALA A 19 6.901 8.591 11.438 1.00 0.00 C ATOM 276 C ALA A 19 7.357 8.204 10.030 1.00 0.00 C ATOM 277 O ALA A 19 8.523 8.386 9.680 1.00 0.00 O ATOM 278 CB ALA A 19 6.866 7.393 12.390 1.00 0.00 C ATOM 0 H ALA A 19 4.861 8.705 11.905 1.00 0.00 H new ATOM 0 HA ALA A 19 7.625 9.303 11.834 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.857 6.942 12.444 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.564 7.726 13.383 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.152 6.656 12.022 1.00 0.00 H new ATOM 284 N PHE A 20 6.416 7.678 9.261 1.00 0.00 N ATOM 285 CA PHE A 20 6.707 7.264 7.899 1.00 0.00 C ATOM 286 C PHE A 20 7.080 8.466 7.027 1.00 0.00 C ATOM 287 O PHE A 20 7.796 8.323 6.039 1.00 0.00 O ATOM 288 CB PHE A 20 5.434 6.623 7.344 1.00 0.00 C ATOM 289 CG PHE A 20 5.677 5.672 6.169 1.00 0.00 C ATOM 290 CD1 PHE A 20 5.957 4.361 6.403 1.00 0.00 C ATOM 291 CD2 PHE A 20 5.614 6.137 4.894 1.00 0.00 C ATOM 292 CE1 PHE A 20 6.182 3.479 5.313 1.00 0.00 C ATOM 293 CE2 PHE A 20 5.839 5.255 3.804 1.00 0.00 C ATOM 294 CZ PHE A 20 6.119 3.944 4.037 1.00 0.00 C ATOM 0 H PHE A 20 5.451 7.529 9.555 1.00 0.00 H new ATOM 0 HA PHE A 20 7.548 6.570 7.894 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.937 6.075 8.144 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.752 7.411 7.025 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.008 3.992 7.417 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.393 7.178 4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.403 2.438 5.498 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.788 5.625 2.791 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.291 3.273 3.208 1.00 0.00 H new ATOM 304 N MET A 21 6.575 9.625 7.428 1.00 0.00 N ATOM 305 CA MET A 21 6.846 10.851 6.697 1.00 0.00 C ATOM 306 C MET A 21 8.208 11.431 7.084 1.00 0.00 C ATOM 307 O MET A 21 8.927 11.956 6.235 1.00 0.00 O ATOM 308 CB MET A 21 5.751 11.876 6.998 1.00 0.00 C ATOM 309 CG MET A 21 4.677 11.866 5.907 1.00 0.00 C ATOM 310 SD MET A 21 3.133 11.274 6.578 1.00 0.00 S ATOM 311 CE MET A 21 2.392 10.598 5.103 1.00 0.00 C ATOM 0 H MET A 21 5.981 9.740 8.249 1.00 0.00 H new ATOM 0 HA MET A 21 6.860 10.621 5.632 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.296 11.655 7.964 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.190 12.871 7.073 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.547 12.870 5.504 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.992 11.229 5.080 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.414 10.183 5.345 1.00 0.00 H new ATOM 0 HE2 MET A 21 2.278 11.386 4.359 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.031 9.811 4.703 1.00 0.00 H new ATOM 321 N LYS A 22 8.522 11.318 8.367 1.00 0.00 N ATOM 322 CA LYS A 22 9.785 11.823 8.876 1.00 0.00 C ATOM 323 C LYS A 22 10.930 10.965 8.334 1.00 0.00 C ATOM 324 O LYS A 22 12.053 11.444 8.186 1.00 0.00 O ATOM 325 CB LYS A 22 9.751 11.910 10.403 1.00 0.00 C ATOM 326 CG LYS A 22 11.087 12.412 10.954 1.00 0.00 C ATOM 327 CD LYS A 22 10.983 13.875 11.393 1.00 0.00 C ATOM 328 CE LYS A 22 12.182 14.683 10.893 1.00 0.00 C ATOM 329 NZ LYS A 22 12.967 15.205 12.034 1.00 0.00 N ATOM 0 H LYS A 22 7.923 10.884 9.069 1.00 0.00 H new ATOM 0 HA LYS A 22 9.956 12.841 8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.950 12.580 10.715 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.527 10.929 10.822 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.391 11.795 11.800 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.860 12.311 10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.061 14.310 11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.931 13.929 12.480 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.815 14.055 10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.837 15.510 10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.777 15.751 11.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.365 15.820 12.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.312 14.411 12.610 1.00 0.00 H new ATOM 342 N ALA A 23 10.605 9.712 8.052 1.00 0.00 N ATOM 343 CA ALA A 23 11.591 8.782 7.530 1.00 0.00 C ATOM 344 C ALA A 23 12.019 9.232 6.132 1.00 0.00 C ATOM 345 O ALA A 23 13.183 9.089 5.758 1.00 0.00 O ATOM 346 CB ALA A 23 11.013 7.366 7.536 1.00 0.00 C ATOM 0 H ALA A 23 9.672 9.319 8.175 1.00 0.00 H new ATOM 0 HA ALA A 23 12.480 8.772 8.160 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.754 6.669 7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.753 7.083 8.556 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.120 7.335 6.912 1.00 0.00 H new ATOM 352 N ILE A 24 11.055 9.766 5.396 1.00 0.00 N ATOM 353 CA ILE A 24 11.318 10.238 4.046 1.00 0.00 C ATOM 354 C ILE A 24 11.771 11.698 4.100 1.00 0.00 C ATOM 355 O ILE A 24 12.449 12.175 3.191 1.00 0.00 O ATOM 356 CB ILE A 24 10.099 10.004 3.151 1.00 0.00 C ATOM 357 CG1 ILE A 24 8.880 10.765 3.675 1.00 0.00 C ATOM 358 CG2 ILE A 24 9.817 8.509 2.988 1.00 0.00 C ATOM 359 CD1 ILE A 24 7.741 10.746 2.655 1.00 0.00 C ATOM 0 H ILE A 24 10.091 9.882 5.708 1.00 0.00 H new ATOM 0 HA ILE A 24 12.131 9.669 3.594 1.00 0.00 H new ATOM 0 HB ILE A 24 10.322 10.398 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.543 10.318 4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.158 11.796 3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.946 8.371 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.681 8.023 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.623 8.067 3.965 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.887 11.294 3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.074 11.215 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.449 9.715 2.455 1.00 0.00 H new ATOM 371 N GLY A 25 11.379 12.366 5.175 1.00 0.00 N ATOM 372 CA GLY A 25 11.737 13.763 5.359 1.00 0.00 C ATOM 373 C GLY A 25 10.582 14.683 4.953 1.00 0.00 C ATOM 374 O GLY A 25 10.769 15.603 4.158 1.00 0.00 O ATOM 0 H GLY A 25 10.818 11.967 5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.999 13.941 6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.620 13.997 4.764 1.00 0.00 H new ATOM 378 N LEU A 26 9.417 14.401 5.517 1.00 0.00 N ATOM 379 CA LEU A 26 8.234 15.191 5.223 1.00 0.00 C ATOM 380 C LEU A 26 7.929 16.105 6.412 1.00 0.00 C ATOM 381 O LEU A 26 8.091 15.708 7.564 1.00 0.00 O ATOM 382 CB LEU A 26 7.067 14.283 4.831 1.00 0.00 C ATOM 383 CG LEU A 26 6.479 14.512 3.438 1.00 0.00 C ATOM 384 CD1 LEU A 26 7.533 14.284 2.353 1.00 0.00 C ATOM 385 CD2 LEU A 26 5.236 13.647 3.219 1.00 0.00 C ATOM 0 H LEU A 26 9.267 13.637 6.176 1.00 0.00 H new ATOM 0 HA LEU A 26 8.410 15.835 4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.400 13.247 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.271 14.410 5.565 1.00 0.00 H new ATOM 0 HG LEU A 26 6.164 15.553 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.088 14.453 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.362 14.976 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.901 13.260 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.837 13.829 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.503 12.595 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.481 13.900 3.963 1.00 0.00 H new ATOM 397 N PRO A 27 7.480 17.347 6.082 1.00 0.00 N ATOM 398 CA PRO A 27 7.151 18.321 7.109 1.00 0.00 C ATOM 399 C PRO A 27 5.820 17.980 7.781 1.00 0.00 C ATOM 400 O PRO A 27 5.179 16.990 7.432 1.00 0.00 O ATOM 401 CB PRO A 27 7.127 19.658 6.388 1.00 0.00 C ATOM 402 CG PRO A 27 6.984 19.333 4.910 1.00 0.00 C ATOM 403 CD PRO A 27 7.275 17.852 4.729 1.00 0.00 C ATOM 0 HA PRO A 27 7.875 18.335 7.924 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.297 20.274 6.734 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.041 20.220 6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.978 19.570 4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.675 19.933 4.318 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.446 17.343 4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.158 17.695 4.110 1.00 0.00 H new ATOM 411 N GLU A 28 5.442 18.819 8.733 1.00 0.00 N ATOM 412 CA GLU A 28 4.199 18.619 9.458 1.00 0.00 C ATOM 413 C GLU A 28 3.008 19.040 8.595 1.00 0.00 C ATOM 414 O GLU A 28 1.888 18.580 8.810 1.00 0.00 O ATOM 415 CB GLU A 28 4.209 19.381 10.785 1.00 0.00 C ATOM 416 CG GLU A 28 4.365 20.886 10.553 1.00 0.00 C ATOM 417 CD GLU A 28 5.559 21.439 11.332 1.00 0.00 C ATOM 418 OE1 GLU A 28 6.659 20.870 11.268 1.00 0.00 O ATOM 419 OE2 GLU A 28 5.315 22.501 12.022 1.00 0.00 O ATOM 0 H GLU A 28 5.975 19.640 9.020 1.00 0.00 H new ATOM 0 HA GLU A 28 4.102 17.558 9.686 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.283 19.187 11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.026 19.019 11.410 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.498 21.082 9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.455 21.401 10.861 1.00 0.00 H new ATOM 427 N GLU A 29 3.291 19.907 7.634 1.00 0.00 N ATOM 428 CA GLU A 29 2.257 20.394 6.736 1.00 0.00 C ATOM 429 C GLU A 29 1.676 19.238 5.920 1.00 0.00 C ATOM 430 O GLU A 29 0.459 19.095 5.818 1.00 0.00 O ATOM 431 CB GLU A 29 2.799 21.495 5.822 1.00 0.00 C ATOM 432 CG GLU A 29 2.597 22.877 6.448 1.00 0.00 C ATOM 433 CD GLU A 29 3.449 23.930 5.737 1.00 0.00 C ATOM 434 OE1 GLU A 29 4.497 23.596 5.164 1.00 0.00 O ATOM 435 OE2 GLU A 29 2.986 25.133 5.793 1.00 0.00 O ATOM 0 H GLU A 29 4.222 20.285 7.457 1.00 0.00 H new ATOM 0 HA GLU A 29 1.456 20.828 7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.860 21.328 5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.295 21.452 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.545 23.156 6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.861 22.844 7.505 1.00 0.00 H new ATOM 443 N LEU A 30 2.575 18.444 5.357 1.00 0.00 N ATOM 444 CA LEU A 30 2.167 17.305 4.551 1.00 0.00 C ATOM 445 C LEU A 30 1.593 16.220 5.464 1.00 0.00 C ATOM 446 O LEU A 30 0.630 15.545 5.103 1.00 0.00 O ATOM 447 CB LEU A 30 3.327 16.823 3.678 1.00 0.00 C ATOM 448 CG LEU A 30 3.668 17.701 2.472 1.00 0.00 C ATOM 449 CD1 LEU A 30 4.614 16.974 1.513 1.00 0.00 C ATOM 450 CD2 LEU A 30 2.398 18.181 1.767 1.00 0.00 C ATOM 0 H LEU A 30 3.584 18.567 5.443 1.00 0.00 H new ATOM 0 HA LEU A 30 1.376 17.592 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.216 16.738 4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.093 15.821 3.318 1.00 0.00 H new ATOM 0 HG LEU A 30 4.192 18.586 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.840 17.621 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.538 16.723 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.139 16.060 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.668 18.803 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.826 17.320 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.793 18.763 2.463 1.00 0.00 H new ATOM 462 N ILE A 31 2.209 16.085 6.630 1.00 0.00 N ATOM 463 CA ILE A 31 1.771 15.092 7.598 1.00 0.00 C ATOM 464 C ILE A 31 0.388 15.477 8.125 1.00 0.00 C ATOM 465 O ILE A 31 -0.477 14.620 8.293 1.00 0.00 O ATOM 466 CB ILE A 31 2.822 14.916 8.695 1.00 0.00 C ATOM 467 CG1 ILE A 31 4.163 14.474 8.105 1.00 0.00 C ATOM 468 CG2 ILE A 31 2.327 13.953 9.777 1.00 0.00 C ATOM 469 CD1 ILE A 31 5.314 14.793 9.062 1.00 0.00 C ATOM 0 H ILE A 31 3.007 16.646 6.926 1.00 0.00 H new ATOM 0 HA ILE A 31 1.671 14.115 7.125 1.00 0.00 H new ATOM 0 HB ILE A 31 2.984 15.883 9.172 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.140 13.403 7.902 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.328 14.976 7.152 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.092 13.845 10.545 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.415 14.348 10.226 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.120 12.980 9.331 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.256 14.469 8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.349 15.867 9.244 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.158 14.270 10.006 1.00 0.00 H new ATOM 481 N GLN A 32 0.223 16.769 8.374 1.00 0.00 N ATOM 482 CA GLN A 32 -1.040 17.278 8.881 1.00 0.00 C ATOM 483 C GLN A 32 -2.106 17.237 7.784 1.00 0.00 C ATOM 484 O GLN A 32 -3.298 17.142 8.075 1.00 0.00 O ATOM 485 CB GLN A 32 -0.877 18.694 9.435 1.00 0.00 C ATOM 486 CG GLN A 32 -0.268 18.667 10.839 1.00 0.00 C ATOM 487 CD GLN A 32 -0.666 19.913 11.633 1.00 0.00 C ATOM 488 OE1 GLN A 32 -1.802 20.357 11.613 1.00 0.00 O ATOM 489 NE2 GLN A 32 0.331 20.449 12.332 1.00 0.00 N ATOM 0 H GLN A 32 0.943 17.478 8.234 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.365 16.638 9.701 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.241 19.278 8.770 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.847 19.191 9.465 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.601 17.773 11.367 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.818 18.609 10.767 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.259 20.026 12.304 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.168 21.283 12.896 1.00 0.00 H new ATOM 498 N LYS A 33 -1.640 17.312 6.546 1.00 0.00 N ATOM 499 CA LYS A 33 -2.538 17.286 5.405 1.00 0.00 C ATOM 500 C LYS A 33 -3.030 15.854 5.182 1.00 0.00 C ATOM 501 O LYS A 33 -4.234 15.614 5.091 1.00 0.00 O ATOM 502 CB LYS A 33 -1.865 17.902 4.177 1.00 0.00 C ATOM 503 CG LYS A 33 -2.497 19.249 3.823 1.00 0.00 C ATOM 504 CD LYS A 33 -1.535 20.107 2.998 1.00 0.00 C ATOM 505 CE LYS A 33 -2.293 21.176 2.210 1.00 0.00 C ATOM 506 NZ LYS A 33 -1.346 22.061 1.495 1.00 0.00 N ATOM 0 H LYS A 33 -0.651 17.391 6.308 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.417 17.901 5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.801 18.035 4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.953 17.221 3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.417 19.087 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.770 19.778 4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.809 20.583 3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.974 19.473 2.311 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.966 20.701 1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.911 21.766 2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.877 22.781 0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.721 22.528 2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.774 21.496 0.835 1.00 0.00 H new ATOM 519 N GLY A 34 -2.075 14.940 5.100 1.00 0.00 N ATOM 520 CA GLY A 34 -2.396 13.538 4.890 1.00 0.00 C ATOM 521 C GLY A 34 -3.280 13.003 6.018 1.00 0.00 C ATOM 522 O GLY A 34 -4.181 12.201 5.777 1.00 0.00 O ATOM 0 H GLY A 34 -1.078 15.143 5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.907 13.417 3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.477 12.955 4.836 1.00 0.00 H new ATOM 526 N LYS A 35 -2.993 13.470 7.224 1.00 0.00 N ATOM 527 CA LYS A 35 -3.751 13.048 8.390 1.00 0.00 C ATOM 528 C LYS A 35 -5.192 13.548 8.264 1.00 0.00 C ATOM 529 O LYS A 35 -6.102 12.992 8.875 1.00 0.00 O ATOM 530 CB LYS A 35 -3.052 13.497 9.674 1.00 0.00 C ATOM 531 CG LYS A 35 -4.052 13.622 10.827 1.00 0.00 C ATOM 532 CD LYS A 35 -3.330 13.692 12.174 1.00 0.00 C ATOM 533 CE LYS A 35 -3.699 12.498 13.057 1.00 0.00 C ATOM 534 NZ LYS A 35 -3.633 12.870 14.487 1.00 0.00 N ATOM 0 H LYS A 35 -2.246 14.137 7.419 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.795 11.960 8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.274 12.781 9.938 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.560 14.456 9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.661 14.516 10.690 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.731 12.769 10.818 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.252 13.710 12.012 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.591 14.620 12.683 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.703 12.153 12.811 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.020 11.669 12.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.886 12.048 15.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.668 13.177 14.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.299 13.647 14.675 1.00 0.00 H new ATOM 547 N ASP A 36 -5.352 14.595 7.468 1.00 0.00 N ATOM 548 CA ASP A 36 -6.666 15.178 7.255 1.00 0.00 C ATOM 549 C ASP A 36 -7.361 14.451 6.102 1.00 0.00 C ATOM 550 O ASP A 36 -8.549 14.659 5.858 1.00 0.00 O ATOM 551 CB ASP A 36 -6.559 16.659 6.884 1.00 0.00 C ATOM 552 CG ASP A 36 -7.866 17.305 6.418 1.00 0.00 C ATOM 553 OD1 ASP A 36 -8.942 17.045 6.976 1.00 0.00 O ATOM 554 OD2 ASP A 36 -7.747 18.117 5.423 1.00 0.00 O ATOM 0 H ASP A 36 -4.594 15.054 6.963 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.233 15.078 8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.188 17.209 7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.816 16.767 6.094 1.00 0.00 H new ATOM 560 N ILE A 37 -6.591 13.613 5.424 1.00 0.00 N ATOM 561 CA ILE A 37 -7.118 12.853 4.302 1.00 0.00 C ATOM 562 C ILE A 37 -7.148 11.368 4.667 1.00 0.00 C ATOM 563 O ILE A 37 -6.179 10.839 5.209 1.00 0.00 O ATOM 564 CB ILE A 37 -6.325 13.158 3.030 1.00 0.00 C ATOM 565 CG1 ILE A 37 -6.235 14.667 2.787 1.00 0.00 C ATOM 566 CG2 ILE A 37 -6.914 12.419 1.826 1.00 0.00 C ATOM 567 CD1 ILE A 37 -7.521 15.197 2.149 1.00 0.00 C ATOM 0 H ILE A 37 -5.606 13.443 5.629 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.145 13.150 4.089 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.307 12.792 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.055 15.181 3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.386 14.885 2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.332 12.653 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.883 11.345 2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.947 12.732 1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.431 16.271 1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.686 14.698 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.364 14.999 2.811 1.00 0.00 H new ATOM 579 N LYS A 38 -8.271 10.737 4.354 1.00 0.00 N ATOM 580 CA LYS A 38 -8.439 9.324 4.642 1.00 0.00 C ATOM 581 C LYS A 38 -7.620 8.502 3.644 1.00 0.00 C ATOM 582 O LYS A 38 -7.644 8.774 2.444 1.00 0.00 O ATOM 583 CB LYS A 38 -9.924 8.956 4.668 1.00 0.00 C ATOM 584 CG LYS A 38 -10.619 9.388 3.376 1.00 0.00 C ATOM 585 CD LYS A 38 -11.731 8.408 2.997 1.00 0.00 C ATOM 586 CE LYS A 38 -11.955 8.390 1.483 1.00 0.00 C ATOM 587 NZ LYS A 38 -13.402 8.383 1.173 1.00 0.00 N ATOM 0 H LYS A 38 -9.073 11.179 3.904 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.058 9.091 5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.033 7.880 4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.406 9.433 5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.037 10.387 3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.889 9.446 2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.471 7.407 3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.655 8.689 3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.484 9.262 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.480 7.510 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.536 8.371 0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.842 7.538 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.846 9.236 1.570 1.00 0.00 H new ATOM 600 N GLY A 39 -6.914 7.515 4.177 1.00 0.00 N ATOM 601 CA GLY A 39 -6.090 6.654 3.347 1.00 0.00 C ATOM 602 C GLY A 39 -6.871 5.419 2.892 1.00 0.00 C ATOM 603 O GLY A 39 -6.920 4.415 3.599 1.00 0.00 O ATOM 0 H GLY A 39 -6.896 7.293 5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.741 7.209 2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.206 6.344 3.904 1.00 0.00 H new ATOM 607 N VAL A 40 -7.464 5.536 1.713 1.00 0.00 N ATOM 608 CA VAL A 40 -8.241 4.443 1.153 1.00 0.00 C ATOM 609 C VAL A 40 -7.511 3.876 -0.065 1.00 0.00 C ATOM 610 O VAL A 40 -7.125 4.621 -0.964 1.00 0.00 O ATOM 611 CB VAL A 40 -9.660 4.919 0.834 1.00 0.00 C ATOM 612 CG1 VAL A 40 -10.466 3.815 0.147 1.00 0.00 C ATOM 613 CG2 VAL A 40 -10.369 5.414 2.096 1.00 0.00 C ATOM 0 H VAL A 40 -7.422 6.372 1.130 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.340 3.634 1.877 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.585 5.758 0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.471 4.179 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.975 3.531 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.528 2.947 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.375 5.746 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.428 4.603 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.810 6.246 2.525 1.00 0.00 H new ATOM 623 N SER A 41 -7.346 2.561 -0.057 1.00 0.00 N ATOM 624 CA SER A 41 -6.669 1.886 -1.152 1.00 0.00 C ATOM 625 C SER A 41 -7.609 0.863 -1.795 1.00 0.00 C ATOM 626 O SER A 41 -8.077 -0.059 -1.132 1.00 0.00 O ATOM 627 CB SER A 41 -5.390 1.199 -0.668 1.00 0.00 C ATOM 628 OG SER A 41 -4.273 2.083 -0.680 1.00 0.00 O ATOM 0 H SER A 41 -7.669 1.946 0.689 1.00 0.00 H new ATOM 0 HA SER A 41 -6.390 2.633 -1.895 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.542 0.820 0.343 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.178 0.338 -1.302 1.00 0.00 H new ATOM 0 HG SER A 41 -3.477 1.608 -0.363 1.00 0.00 H new ATOM 634 N GLU A 42 -7.855 1.063 -3.082 1.00 0.00 N ATOM 635 CA GLU A 42 -8.730 0.170 -3.824 1.00 0.00 C ATOM 636 C GLU A 42 -7.912 -0.928 -4.506 1.00 0.00 C ATOM 637 O GLU A 42 -6.824 -0.670 -5.017 1.00 0.00 O ATOM 638 CB GLU A 42 -9.566 0.945 -4.844 1.00 0.00 C ATOM 639 CG GLU A 42 -11.045 0.950 -4.452 1.00 0.00 C ATOM 640 CD GLU A 42 -11.825 1.982 -5.267 1.00 0.00 C ATOM 641 OE1 GLU A 42 -12.075 1.768 -6.463 1.00 0.00 O ATOM 642 OE2 GLU A 42 -12.179 3.037 -4.614 1.00 0.00 O ATOM 0 H GLU A 42 -7.464 1.830 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.418 -0.300 -3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.202 1.970 -4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.449 0.497 -5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.470 -0.041 -4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.142 1.172 -3.389 1.00 0.00 H new ATOM 650 N ILE A 43 -8.468 -2.131 -4.490 1.00 0.00 N ATOM 651 CA ILE A 43 -7.805 -3.270 -5.102 1.00 0.00 C ATOM 652 C ILE A 43 -8.642 -3.771 -6.280 1.00 0.00 C ATOM 653 O ILE A 43 -9.833 -4.039 -6.131 1.00 0.00 O ATOM 654 CB ILE A 43 -7.513 -4.346 -4.053 1.00 0.00 C ATOM 655 CG1 ILE A 43 -6.647 -3.789 -2.922 1.00 0.00 C ATOM 656 CG2 ILE A 43 -6.888 -5.585 -4.697 1.00 0.00 C ATOM 657 CD1 ILE A 43 -6.871 -4.568 -1.624 1.00 0.00 C ATOM 0 H ILE A 43 -9.370 -2.341 -4.063 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.835 -2.976 -5.503 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.459 -4.656 -3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.596 -3.842 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.882 -2.737 -2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.691 -6.334 -3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.575 -5.996 -5.437 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.953 -5.309 -5.184 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.243 -4.151 -0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.918 -4.493 -1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.611 -5.615 -1.779 1.00 0.00 H new ATOM 669 N VAL A 44 -7.986 -3.882 -7.426 1.00 0.00 N ATOM 670 CA VAL A 44 -8.654 -4.346 -8.629 1.00 0.00 C ATOM 671 C VAL A 44 -8.030 -5.669 -9.076 1.00 0.00 C ATOM 672 O VAL A 44 -6.809 -5.815 -9.076 1.00 0.00 O ATOM 673 CB VAL A 44 -8.598 -3.264 -9.709 1.00 0.00 C ATOM 674 CG1 VAL A 44 -9.439 -3.657 -10.925 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.040 -1.909 -9.152 1.00 0.00 C ATOM 0 H VAL A 44 -6.998 -3.658 -7.546 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.709 -4.535 -8.431 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.562 -3.171 -10.035 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.381 -2.870 -11.677 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.059 -4.588 -11.345 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.477 -3.793 -10.621 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.991 -1.158 -9.940 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.064 -1.983 -8.785 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.381 -1.620 -8.333 1.00 0.00 H new ATOM 685 N GLN A 45 -8.898 -6.600 -9.447 1.00 0.00 N ATOM 686 CA GLN A 45 -8.447 -7.907 -9.895 1.00 0.00 C ATOM 687 C GLN A 45 -9.113 -8.271 -11.224 1.00 0.00 C ATOM 688 O GLN A 45 -10.273 -7.934 -11.453 1.00 0.00 O ATOM 689 CB GLN A 45 -8.720 -8.975 -8.834 1.00 0.00 C ATOM 690 CG GLN A 45 -10.217 -9.269 -8.725 1.00 0.00 C ATOM 691 CD GLN A 45 -10.565 -10.599 -9.397 1.00 0.00 C ATOM 692 OE1 GLN A 45 -9.705 -11.394 -9.739 1.00 0.00 O ATOM 693 NE2 GLN A 45 -11.869 -10.796 -9.564 1.00 0.00 N ATOM 0 H GLN A 45 -9.910 -6.475 -9.446 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.369 -7.864 -10.051 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.184 -9.890 -9.087 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.340 -8.639 -7.869 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.510 -9.300 -7.675 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.784 -8.463 -9.190 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.535 -10.089 -9.254 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.203 -11.655 -10.002 1.00 0.00 H new ATOM 702 N ASN A 46 -8.350 -8.954 -12.063 1.00 0.00 N ATOM 703 CA ASN A 46 -8.851 -9.368 -13.363 1.00 0.00 C ATOM 704 C ASN A 46 -8.078 -10.601 -13.835 1.00 0.00 C ATOM 705 O ASN A 46 -7.080 -10.478 -14.543 1.00 0.00 O ATOM 706 CB ASN A 46 -8.662 -8.263 -14.403 1.00 0.00 C ATOM 707 CG ASN A 46 -10.003 -7.634 -14.786 1.00 0.00 C ATOM 708 OD1 ASN A 46 -10.631 -6.930 -14.012 1.00 0.00 O ATOM 709 ND2 ASN A 46 -10.406 -7.925 -16.019 1.00 0.00 N ATOM 0 H ASN A 46 -7.388 -9.232 -11.869 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.914 -9.588 -13.260 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.997 -7.496 -14.007 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.182 -8.673 -15.291 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.289 -7.552 -16.368 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.832 -8.521 -16.616 1.00 0.00 H new ATOM 716 N GLY A 47 -8.567 -11.761 -13.424 1.00 0.00 N ATOM 717 CA GLY A 47 -7.934 -13.014 -13.796 1.00 0.00 C ATOM 718 C GLY A 47 -6.607 -13.199 -13.058 1.00 0.00 C ATOM 719 O GLY A 47 -6.469 -14.104 -12.236 1.00 0.00 O ATOM 0 H GLY A 47 -9.395 -11.860 -12.836 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.601 -13.845 -13.566 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.761 -13.033 -14.872 1.00 0.00 H new ATOM 723 N LYS A 48 -5.662 -12.326 -13.377 1.00 0.00 N ATOM 724 CA LYS A 48 -4.351 -12.381 -12.755 1.00 0.00 C ATOM 725 C LYS A 48 -3.846 -10.957 -12.511 1.00 0.00 C ATOM 726 O LYS A 48 -3.366 -10.642 -11.424 1.00 0.00 O ATOM 727 CB LYS A 48 -3.397 -13.236 -13.589 1.00 0.00 C ATOM 728 CG LYS A 48 -3.642 -13.031 -15.086 1.00 0.00 C ATOM 729 CD LYS A 48 -2.328 -12.794 -15.831 1.00 0.00 C ATOM 730 CE LYS A 48 -1.934 -14.022 -16.654 1.00 0.00 C ATOM 731 NZ LYS A 48 -1.724 -13.651 -18.071 1.00 0.00 N ATOM 0 H LYS A 48 -5.779 -11.576 -14.059 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.412 -12.869 -11.782 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.366 -12.978 -13.347 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.530 -14.288 -13.336 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.145 -13.906 -15.499 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.307 -12.181 -15.236 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.429 -11.929 -16.487 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.538 -12.562 -15.117 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.023 -14.462 -16.248 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.714 -14.781 -16.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.457 -14.496 -18.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.603 -13.252 -18.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.964 -12.944 -18.136 1.00 0.00 H new ATOM 744 N HIS A 49 -3.974 -10.133 -13.542 1.00 0.00 N ATOM 745 CA HIS A 49 -3.537 -8.751 -13.453 1.00 0.00 C ATOM 746 C HIS A 49 -4.483 -7.971 -12.538 1.00 0.00 C ATOM 747 O HIS A 49 -5.702 -8.037 -12.698 1.00 0.00 O ATOM 748 CB HIS A 49 -3.415 -8.130 -14.846 1.00 0.00 C ATOM 749 CG HIS A 49 -4.690 -7.499 -15.352 1.00 0.00 C ATOM 750 ND1 HIS A 49 -4.969 -6.151 -15.207 1.00 0.00 N ATOM 751 CD2 HIS A 49 -5.758 -8.045 -16.003 1.00 0.00 C ATOM 752 CE1 HIS A 49 -6.154 -5.908 -15.749 1.00 0.00 C ATOM 753 NE2 HIS A 49 -6.641 -7.083 -16.242 1.00 0.00 N ATOM 0 H HIS A 49 -4.374 -10.397 -14.442 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.542 -8.708 -13.010 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.630 -7.374 -14.828 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.099 -8.900 -15.549 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.866 -9.084 -16.277 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.647 -4.948 -15.793 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.536 -7.203 -16.716 1.00 0.00 H new ATOM 761 N PHE A 50 -3.888 -7.252 -11.599 1.00 0.00 N ATOM 762 CA PHE A 50 -4.662 -6.460 -10.657 1.00 0.00 C ATOM 763 C PHE A 50 -4.372 -4.968 -10.827 1.00 0.00 C ATOM 764 O PHE A 50 -3.216 -4.566 -10.947 1.00 0.00 O ATOM 765 CB PHE A 50 -4.237 -6.894 -9.253 1.00 0.00 C ATOM 766 CG PHE A 50 -4.598 -8.342 -8.912 1.00 0.00 C ATOM 767 CD1 PHE A 50 -3.747 -9.350 -9.244 1.00 0.00 C ATOM 768 CD2 PHE A 50 -5.769 -8.620 -8.279 1.00 0.00 C ATOM 769 CE1 PHE A 50 -4.082 -10.694 -8.928 1.00 0.00 C ATOM 770 CE2 PHE A 50 -6.103 -9.963 -7.963 1.00 0.00 C ATOM 771 CZ PHE A 50 -5.252 -10.972 -8.295 1.00 0.00 C ATOM 0 H PHE A 50 -2.878 -7.201 -11.469 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.727 -6.617 -10.826 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.159 -6.767 -9.155 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.703 -6.233 -8.523 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.817 -9.129 -9.747 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.445 -7.819 -8.017 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.407 -11.495 -9.191 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.032 -10.184 -7.459 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.507 -11.994 -8.055 1.00 0.00 H new ATOM 781 N LYS A 51 -5.442 -4.186 -10.832 1.00 0.00 N ATOM 782 CA LYS A 51 -5.317 -2.747 -10.985 1.00 0.00 C ATOM 783 C LYS A 51 -5.246 -2.096 -9.602 1.00 0.00 C ATOM 784 O LYS A 51 -5.993 -2.467 -8.698 1.00 0.00 O ATOM 785 CB LYS A 51 -6.443 -2.202 -11.864 1.00 0.00 C ATOM 786 CG LYS A 51 -5.881 -1.416 -13.051 1.00 0.00 C ATOM 787 CD LYS A 51 -7.009 -0.833 -13.906 1.00 0.00 C ATOM 788 CE LYS A 51 -6.510 -0.494 -15.312 1.00 0.00 C ATOM 789 NZ LYS A 51 -6.675 0.951 -15.586 1.00 0.00 N ATOM 0 H LYS A 51 -6.400 -4.523 -10.732 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.391 -2.498 -11.503 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.057 -3.026 -12.227 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.092 -1.558 -11.271 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.241 -0.611 -12.689 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.257 -2.069 -13.662 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.829 -1.548 -13.970 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.405 0.064 -13.430 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.460 -0.771 -15.408 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.062 -1.076 -16.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.332 1.164 -16.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.681 1.205 -15.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.129 1.500 -14.892 1.00 0.00 H new ATOM 802 N PHE A 52 -4.342 -1.136 -9.480 1.00 0.00 N ATOM 803 CA PHE A 52 -4.164 -0.430 -8.224 1.00 0.00 C ATOM 804 C PHE A 52 -4.556 1.043 -8.361 1.00 0.00 C ATOM 805 O PHE A 52 -4.577 1.582 -9.467 1.00 0.00 O ATOM 806 CB PHE A 52 -2.678 -0.519 -7.866 1.00 0.00 C ATOM 807 CG PHE A 52 -2.392 -1.312 -6.590 1.00 0.00 C ATOM 808 CD1 PHE A 52 -2.195 -2.656 -6.655 1.00 0.00 C ATOM 809 CD2 PHE A 52 -2.335 -0.674 -5.391 1.00 0.00 C ATOM 810 CE1 PHE A 52 -1.928 -3.393 -5.471 1.00 0.00 C ATOM 811 CE2 PHE A 52 -2.069 -1.410 -4.206 1.00 0.00 C ATOM 812 CZ PHE A 52 -1.871 -2.755 -4.271 1.00 0.00 C ATOM 0 H PHE A 52 -3.724 -0.830 -10.232 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.795 -0.876 -7.455 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.142 -0.980 -8.696 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.281 0.490 -7.751 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.242 -3.163 -7.607 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.492 0.393 -5.340 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.770 -4.460 -5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.024 -0.903 -3.254 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.669 -3.315 -3.370 1.00 0.00 H new ATOM 822 N THR A 53 -4.856 1.652 -7.224 1.00 0.00 N ATOM 823 CA THR A 53 -5.246 3.052 -7.205 1.00 0.00 C ATOM 824 C THR A 53 -4.557 3.780 -6.049 1.00 0.00 C ATOM 825 O THR A 53 -4.404 3.225 -4.962 1.00 0.00 O ATOM 826 CB THR A 53 -6.773 3.116 -7.139 1.00 0.00 C ATOM 827 OG1 THR A 53 -7.192 2.768 -8.455 1.00 0.00 O ATOM 828 CG2 THR A 53 -7.292 4.543 -6.947 1.00 0.00 C ATOM 0 H THR A 53 -4.837 1.202 -6.309 1.00 0.00 H new ATOM 0 HA THR A 53 -4.924 3.566 -8.111 1.00 0.00 H new ATOM 0 HB THR A 53 -7.127 2.488 -6.321 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.171 2.783 -8.501 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.381 4.532 -6.907 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.899 4.951 -6.016 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.966 5.164 -7.781 1.00 0.00 H new ATOM 836 N ILE A 54 -4.160 5.015 -6.324 1.00 0.00 N ATOM 837 CA ILE A 54 -3.491 5.825 -5.321 1.00 0.00 C ATOM 838 C ILE A 54 -4.264 7.132 -5.129 1.00 0.00 C ATOM 839 O ILE A 54 -4.369 7.937 -6.052 1.00 0.00 O ATOM 840 CB ILE A 54 -2.020 6.031 -5.691 1.00 0.00 C ATOM 841 CG1 ILE A 54 -1.267 4.699 -5.700 1.00 0.00 C ATOM 842 CG2 ILE A 54 -1.360 7.057 -4.769 1.00 0.00 C ATOM 843 CD1 ILE A 54 -0.331 4.606 -6.908 1.00 0.00 C ATOM 0 H ILE A 54 -4.289 5.473 -7.226 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.485 5.312 -4.360 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.975 6.434 -6.703 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.691 4.597 -4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.980 3.874 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.316 7.184 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.879 8.012 -4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.415 6.708 -3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.192 3.650 -6.890 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.913 4.684 -7.826 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.396 5.418 -6.869 1.00 0.00 H new ATOM 855 N THR A 55 -4.786 7.301 -3.923 1.00 0.00 N ATOM 856 CA THR A 55 -5.546 8.496 -3.597 1.00 0.00 C ATOM 857 C THR A 55 -4.710 9.442 -2.735 1.00 0.00 C ATOM 858 O THR A 55 -4.999 9.632 -1.555 1.00 0.00 O ATOM 859 CB THR A 55 -6.851 8.057 -2.929 1.00 0.00 C ATOM 860 OG1 THR A 55 -7.574 7.406 -3.969 1.00 0.00 O ATOM 861 CG2 THR A 55 -7.739 9.243 -2.544 1.00 0.00 C ATOM 0 H THR A 55 -4.698 6.630 -3.160 1.00 0.00 H new ATOM 0 HA THR A 55 -5.797 9.063 -4.494 1.00 0.00 H new ATOM 0 HB THR A 55 -6.623 7.470 -2.040 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.433 7.088 -3.621 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.652 8.877 -2.074 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.204 9.886 -1.845 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.994 9.812 -3.438 1.00 0.00 H new ATOM 869 N ALA A 56 -3.688 10.012 -3.358 1.00 0.00 N ATOM 870 CA ALA A 56 -2.807 10.935 -2.663 1.00 0.00 C ATOM 871 C ALA A 56 -3.454 12.321 -2.627 1.00 0.00 C ATOM 872 O ALA A 56 -2.864 13.297 -3.088 1.00 0.00 O ATOM 873 CB ALA A 56 -1.439 10.947 -3.346 1.00 0.00 C ATOM 0 H ALA A 56 -3.451 9.852 -4.337 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.653 10.617 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.778 11.639 -2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.010 9.945 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.553 11.265 -4.382 1.00 0.00 H new ATOM 879 N GLY A 57 -4.657 12.363 -2.073 1.00 0.00 N ATOM 880 CA GLY A 57 -5.389 13.614 -1.971 1.00 0.00 C ATOM 881 C GLY A 57 -6.315 13.807 -3.174 1.00 0.00 C ATOM 882 O GLY A 57 -6.141 14.746 -3.951 1.00 0.00 O ATOM 0 H GLY A 57 -5.143 11.552 -1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.975 13.623 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.688 14.446 -1.910 1.00 0.00 H new ATOM 886 N SER A 58 -7.279 12.906 -3.291 1.00 0.00 N ATOM 887 CA SER A 58 -8.231 12.965 -4.387 1.00 0.00 C ATOM 888 C SER A 58 -7.601 12.398 -5.661 1.00 0.00 C ATOM 889 O SER A 58 -8.084 11.408 -6.208 1.00 0.00 O ATOM 890 CB SER A 58 -8.707 14.400 -4.625 1.00 0.00 C ATOM 891 OG SER A 58 -10.126 14.482 -4.718 1.00 0.00 O ATOM 0 H SER A 58 -7.421 12.130 -2.644 1.00 0.00 H new ATOM 0 HA SER A 58 -9.098 12.361 -4.119 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.359 15.037 -3.812 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.261 14.783 -5.543 1.00 0.00 H new ATOM 0 HG SER A 58 -10.391 15.414 -4.868 1.00 0.00 H new ATOM 897 N LYS A 59 -6.531 13.048 -6.094 1.00 0.00 N ATOM 898 CA LYS A 59 -5.829 12.620 -7.292 1.00 0.00 C ATOM 899 C LYS A 59 -5.755 11.093 -7.316 1.00 0.00 C ATOM 900 O LYS A 59 -5.527 10.462 -6.284 1.00 0.00 O ATOM 901 CB LYS A 59 -4.464 13.304 -7.386 1.00 0.00 C ATOM 902 CG LYS A 59 -3.638 13.057 -6.123 1.00 0.00 C ATOM 903 CD LYS A 59 -2.301 12.395 -6.462 1.00 0.00 C ATOM 904 CE LYS A 59 -1.145 13.388 -6.317 1.00 0.00 C ATOM 905 NZ LYS A 59 -1.150 14.355 -7.437 1.00 0.00 N ATOM 0 H LYS A 59 -6.133 13.868 -5.637 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.375 12.927 -8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.925 12.929 -8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.600 14.376 -7.532 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.460 14.002 -5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.198 12.422 -5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.137 11.541 -5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.329 12.011 -7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.231 13.920 -5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.197 12.851 -6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.360 15.022 -7.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.046 13.844 -8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.048 14.880 -7.439 1.00 0.00 H new ATOM 918 N VAL A 60 -5.951 10.541 -8.504 1.00 0.00 N ATOM 919 CA VAL A 60 -5.910 9.098 -8.677 1.00 0.00 C ATOM 920 C VAL A 60 -4.868 8.747 -9.740 1.00 0.00 C ATOM 921 O VAL A 60 -4.589 9.549 -10.630 1.00 0.00 O ATOM 922 CB VAL A 60 -7.306 8.570 -9.010 1.00 0.00 C ATOM 923 CG1 VAL A 60 -7.716 7.458 -8.042 1.00 0.00 C ATOM 924 CG2 VAL A 60 -8.335 9.703 -9.010 1.00 0.00 C ATOM 0 H VAL A 60 -6.139 11.067 -9.357 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.607 8.610 -7.750 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.274 8.146 -10.014 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.712 7.100 -8.300 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.005 6.635 -8.111 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.723 7.846 -7.024 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.319 9.301 -9.250 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.363 10.169 -8.025 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.056 10.448 -9.755 1.00 0.00 H new ATOM 934 N ILE A 61 -4.322 7.546 -9.614 1.00 0.00 N ATOM 935 CA ILE A 61 -3.317 7.078 -10.553 1.00 0.00 C ATOM 936 C ILE A 61 -3.770 5.748 -11.157 1.00 0.00 C ATOM 937 O ILE A 61 -4.192 4.845 -10.435 1.00 0.00 O ATOM 938 CB ILE A 61 -1.944 7.011 -9.882 1.00 0.00 C ATOM 939 CG1 ILE A 61 -1.465 8.407 -9.473 1.00 0.00 C ATOM 940 CG2 ILE A 61 -0.929 6.296 -10.776 1.00 0.00 C ATOM 941 CD1 ILE A 61 -0.242 8.320 -8.559 1.00 0.00 C ATOM 0 H ILE A 61 -4.557 6.883 -8.875 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.209 7.784 -11.377 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.039 6.422 -8.970 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.218 8.986 -10.363 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.269 8.936 -8.961 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.038 6.263 -10.274 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.270 5.280 -10.974 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.831 6.835 -11.718 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.078 9.325 -8.283 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.499 7.761 -7.659 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.568 7.812 -9.082 1.00 0.00 H new ATOM 953 N GLN A 62 -3.670 5.668 -12.476 1.00 0.00 N ATOM 954 CA GLN A 62 -4.065 4.463 -13.186 1.00 0.00 C ATOM 955 C GLN A 62 -2.829 3.660 -13.597 1.00 0.00 C ATOM 956 O GLN A 62 -1.992 4.148 -14.355 1.00 0.00 O ATOM 957 CB GLN A 62 -4.928 4.801 -14.402 1.00 0.00 C ATOM 958 CG GLN A 62 -4.270 5.885 -15.259 1.00 0.00 C ATOM 959 CD GLN A 62 -4.995 7.223 -15.103 1.00 0.00 C ATOM 960 OE1 GLN A 62 -6.169 7.360 -15.405 1.00 0.00 O ATOM 961 NE2 GLN A 62 -4.232 8.198 -14.619 1.00 0.00 N ATOM 0 H GLN A 62 -3.321 6.419 -13.072 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.666 3.850 -12.515 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.085 3.904 -15.001 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.910 5.140 -14.072 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.225 5.998 -14.970 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.280 5.582 -16.306 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.256 8.014 -14.387 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.623 9.130 -14.480 1.00 0.00 H new ATOM 970 N ASN A 63 -2.754 2.443 -13.079 1.00 0.00 N ATOM 971 CA ASN A 63 -1.635 1.568 -13.382 1.00 0.00 C ATOM 972 C ASN A 63 -2.064 0.112 -13.189 1.00 0.00 C ATOM 973 O ASN A 63 -2.837 -0.195 -12.282 1.00 0.00 O ATOM 974 CB ASN A 63 -0.453 1.841 -12.450 1.00 0.00 C ATOM 975 CG ASN A 63 0.831 2.083 -13.246 1.00 0.00 C ATOM 976 OD1 ASN A 63 1.647 1.198 -13.443 1.00 0.00 O ATOM 977 ND2 ASN A 63 0.963 3.329 -13.693 1.00 0.00 N ATOM 0 H ASN A 63 -3.451 2.042 -12.451 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.331 1.754 -14.412 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.669 2.710 -11.829 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.313 0.995 -11.777 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.785 3.591 -14.236 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.242 4.022 -13.492 1.00 0.00 H new ATOM 984 N GLU A 64 -1.543 -0.745 -14.054 1.00 0.00 N ATOM 985 CA GLU A 64 -1.862 -2.161 -13.989 1.00 0.00 C ATOM 986 C GLU A 64 -0.610 -2.973 -13.650 1.00 0.00 C ATOM 987 O GLU A 64 0.471 -2.700 -14.170 1.00 0.00 O ATOM 988 CB GLU A 64 -2.489 -2.642 -15.299 1.00 0.00 C ATOM 989 CG GLU A 64 -1.443 -2.715 -16.414 1.00 0.00 C ATOM 990 CD GLU A 64 -2.106 -2.654 -17.792 1.00 0.00 C ATOM 991 OE1 GLU A 64 -2.902 -3.539 -18.136 1.00 0.00 O ATOM 992 OE2 GLU A 64 -1.766 -1.642 -18.515 1.00 0.00 O ATOM 0 H GLU A 64 -0.902 -0.486 -14.804 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.595 -2.312 -13.196 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.938 -3.624 -15.152 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.292 -1.965 -15.592 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.737 -1.891 -16.309 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.872 -3.639 -16.322 1.00 0.00 H new ATOM 1000 N PHE A 65 -0.797 -3.954 -12.780 1.00 0.00 N ATOM 1001 CA PHE A 65 0.304 -4.807 -12.365 1.00 0.00 C ATOM 1002 C PHE A 65 -0.073 -6.285 -12.485 1.00 0.00 C ATOM 1003 O PHE A 65 -1.231 -6.653 -12.289 1.00 0.00 O ATOM 1004 CB PHE A 65 0.591 -4.483 -10.898 1.00 0.00 C ATOM 1005 CG PHE A 65 1.934 -5.019 -10.395 1.00 0.00 C ATOM 1006 CD1 PHE A 65 2.072 -6.340 -10.102 1.00 0.00 C ATOM 1007 CD2 PHE A 65 2.989 -4.175 -10.242 1.00 0.00 C ATOM 1008 CE1 PHE A 65 3.317 -6.836 -9.634 1.00 0.00 C ATOM 1009 CE2 PHE A 65 4.235 -4.672 -9.775 1.00 0.00 C ATOM 1010 CZ PHE A 65 4.372 -5.992 -9.481 1.00 0.00 C ATOM 0 H PHE A 65 -1.695 -4.178 -12.351 1.00 0.00 H new ATOM 0 HA PHE A 65 1.173 -4.629 -12.998 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.570 -3.401 -10.764 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.208 -4.896 -10.282 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.235 -7.011 -10.225 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.880 -3.126 -10.476 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.426 -7.885 -9.399 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.073 -4.002 -9.654 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.319 -6.371 -9.126 1.00 0.00 H new ATOM 1020 N THR A 66 0.927 -7.093 -12.806 1.00 0.00 N ATOM 1021 CA THR A 66 0.714 -8.523 -12.954 1.00 0.00 C ATOM 1022 C THR A 66 1.559 -9.296 -11.938 1.00 0.00 C ATOM 1023 O THR A 66 2.717 -8.957 -11.703 1.00 0.00 O ATOM 1024 CB THR A 66 1.018 -8.898 -14.406 1.00 0.00 C ATOM 1025 OG1 THR A 66 -0.138 -8.475 -15.123 1.00 0.00 O ATOM 1026 CG2 THR A 66 1.057 -10.412 -14.623 1.00 0.00 C ATOM 0 H THR A 66 1.886 -6.785 -12.968 1.00 0.00 H new ATOM 0 HA THR A 66 -0.321 -8.793 -12.742 1.00 0.00 H new ATOM 0 HB THR A 66 1.973 -8.464 -14.701 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.025 -8.679 -16.075 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.276 -10.624 -15.669 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.832 -10.850 -13.994 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.091 -10.842 -14.360 1.00 0.00 H new ATOM 1034 N VAL A 67 0.944 -10.318 -11.362 1.00 0.00 N ATOM 1035 CA VAL A 67 1.624 -11.141 -10.377 1.00 0.00 C ATOM 1036 C VAL A 67 2.511 -12.161 -11.095 1.00 0.00 C ATOM 1037 O VAL A 67 2.245 -12.522 -12.239 1.00 0.00 O ATOM 1038 CB VAL A 67 0.602 -11.791 -9.442 1.00 0.00 C ATOM 1039 CG1 VAL A 67 1.224 -12.098 -8.078 1.00 0.00 C ATOM 1040 CG2 VAL A 67 -0.642 -10.913 -9.294 1.00 0.00 C ATOM 0 H VAL A 67 -0.018 -10.595 -11.559 1.00 0.00 H new ATOM 0 HA VAL A 67 2.273 -10.529 -9.751 1.00 0.00 H new ATOM 0 HB VAL A 67 0.293 -12.736 -9.888 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.476 -12.559 -7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.064 -12.781 -8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.576 -11.173 -7.622 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.352 -11.398 -8.624 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.357 -9.945 -8.881 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.104 -10.769 -10.271 1.00 0.00 H new ATOM 1050 N GLY A 68 3.547 -12.595 -10.391 1.00 0.00 N ATOM 1051 CA GLY A 68 4.474 -13.566 -10.948 1.00 0.00 C ATOM 1052 C GLY A 68 5.607 -12.871 -11.705 1.00 0.00 C ATOM 1053 O GLY A 68 6.683 -13.440 -11.880 1.00 0.00 O ATOM 0 H GLY A 68 3.765 -12.293 -9.441 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.889 -14.179 -10.148 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.941 -14.238 -11.621 1.00 0.00 H new ATOM 1057 N GLU A 69 5.326 -11.649 -12.135 1.00 0.00 N ATOM 1058 CA GLU A 69 6.308 -10.870 -12.870 1.00 0.00 C ATOM 1059 C GLU A 69 6.543 -9.525 -12.178 1.00 0.00 C ATOM 1060 O GLU A 69 5.604 -8.906 -11.680 1.00 0.00 O ATOM 1061 CB GLU A 69 5.873 -10.671 -14.323 1.00 0.00 C ATOM 1062 CG GLU A 69 6.619 -9.498 -14.962 1.00 0.00 C ATOM 1063 CD GLU A 69 6.877 -9.757 -16.449 1.00 0.00 C ATOM 1064 OE1 GLU A 69 6.039 -10.370 -17.125 1.00 0.00 O ATOM 1065 OE2 GLU A 69 7.996 -9.295 -16.896 1.00 0.00 O ATOM 0 H GLU A 69 4.432 -11.180 -11.988 1.00 0.00 H new ATOM 0 HA GLU A 69 7.248 -11.421 -12.879 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.064 -11.581 -14.892 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.799 -10.489 -14.363 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.037 -8.584 -14.844 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.567 -9.341 -14.447 1.00 0.00 H new ATOM 1073 N GLU A 70 7.802 -9.113 -12.171 1.00 0.00 N ATOM 1074 CA GLU A 70 8.173 -7.853 -11.548 1.00 0.00 C ATOM 1075 C GLU A 70 7.931 -6.692 -12.516 1.00 0.00 C ATOM 1076 O GLU A 70 8.356 -6.742 -13.669 1.00 0.00 O ATOM 1077 CB GLU A 70 9.629 -7.880 -11.080 1.00 0.00 C ATOM 1078 CG GLU A 70 10.155 -6.463 -10.841 1.00 0.00 C ATOM 1079 CD GLU A 70 10.954 -6.387 -9.538 1.00 0.00 C ATOM 1080 OE1 GLU A 70 10.438 -5.898 -8.523 1.00 0.00 O ATOM 1081 OE2 GLU A 70 12.152 -6.859 -9.606 1.00 0.00 O ATOM 0 H GLU A 70 8.578 -9.629 -12.586 1.00 0.00 H new ATOM 0 HA GLU A 70 7.546 -7.706 -10.669 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.709 -8.461 -10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.246 -8.379 -11.827 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.786 -6.160 -11.677 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.320 -5.763 -10.801 1.00 0.00 H new ATOM 1089 N CYS A 71 7.248 -5.675 -12.010 1.00 0.00 N ATOM 1090 CA CYS A 71 6.944 -4.504 -12.815 1.00 0.00 C ATOM 1091 C CYS A 71 7.559 -3.280 -12.133 1.00 0.00 C ATOM 1092 O CYS A 71 8.062 -3.375 -11.015 1.00 0.00 O ATOM 1093 CB CYS A 71 5.438 -4.341 -13.030 1.00 0.00 C ATOM 1094 SG CYS A 71 4.805 -5.701 -14.079 1.00 0.00 S ATOM 0 H CYS A 71 6.897 -5.638 -11.053 1.00 0.00 H new ATOM 0 HA CYS A 71 7.376 -4.620 -13.809 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.923 -4.342 -12.069 1.00 0.00 H new ATOM 0 HB3 CYS A 71 5.231 -3.380 -13.502 1.00 0.00 H new ATOM 0 HG CYS A 71 3.525 -5.555 -14.254 1.00 0.00 H new ATOM 1100 N GLU A 72 7.500 -2.159 -12.837 1.00 0.00 N ATOM 1101 CA GLU A 72 8.044 -0.918 -12.314 1.00 0.00 C ATOM 1102 C GLU A 72 6.960 0.160 -12.267 1.00 0.00 C ATOM 1103 O GLU A 72 6.364 0.491 -13.291 1.00 0.00 O ATOM 1104 CB GLU A 72 9.244 -0.453 -13.143 1.00 0.00 C ATOM 1105 CG GLU A 72 8.832 -0.163 -14.588 1.00 0.00 C ATOM 1106 CD GLU A 72 10.054 -0.123 -15.508 1.00 0.00 C ATOM 1107 OE1 GLU A 72 10.828 0.843 -15.469 1.00 0.00 O ATOM 1108 OE2 GLU A 72 10.185 -1.145 -16.285 1.00 0.00 O ATOM 0 H GLU A 72 7.084 -2.085 -13.765 1.00 0.00 H new ATOM 0 HA GLU A 72 8.394 -1.098 -11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.674 0.444 -12.696 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.019 -1.219 -13.129 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.137 -0.929 -14.933 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.305 0.790 -14.636 1.00 0.00 H new ATOM 1116 N LEU A 73 6.737 0.678 -11.068 1.00 0.00 N ATOM 1117 CA LEU A 73 5.734 1.712 -10.874 1.00 0.00 C ATOM 1118 C LEU A 73 6.409 2.977 -10.342 1.00 0.00 C ATOM 1119 O LEU A 73 7.251 2.908 -9.448 1.00 0.00 O ATOM 1120 CB LEU A 73 4.601 1.198 -9.983 1.00 0.00 C ATOM 1121 CG LEU A 73 4.859 1.245 -8.476 1.00 0.00 C ATOM 1122 CD1 LEU A 73 4.113 2.412 -7.827 1.00 0.00 C ATOM 1123 CD2 LEU A 73 4.513 -0.093 -7.819 1.00 0.00 C ATOM 0 H LEU A 73 7.234 0.401 -10.221 1.00 0.00 H new ATOM 0 HA LEU A 73 5.268 1.974 -11.824 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.705 1.781 -10.196 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.385 0.167 -10.263 1.00 0.00 H new ATOM 0 HG LEU A 73 5.924 1.416 -8.317 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.314 2.422 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.450 3.350 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.042 2.297 -7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.705 -0.033 -6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.460 -0.319 -7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.127 -0.882 -8.254 1.00 0.00 H new ATOM 1135 N GLU A 74 6.015 4.105 -10.915 1.00 0.00 N ATOM 1136 CA GLU A 74 6.571 5.385 -10.510 1.00 0.00 C ATOM 1137 C GLU A 74 5.971 5.825 -9.173 1.00 0.00 C ATOM 1138 O GLU A 74 4.784 6.136 -9.095 1.00 0.00 O ATOM 1139 CB GLU A 74 6.347 6.447 -11.589 1.00 0.00 C ATOM 1140 CG GLU A 74 7.267 7.649 -11.375 1.00 0.00 C ATOM 1141 CD GLU A 74 7.052 8.705 -12.461 1.00 0.00 C ATOM 1142 OE1 GLU A 74 7.647 8.609 -13.544 1.00 0.00 O ATOM 1143 OE2 GLU A 74 6.232 9.651 -12.148 1.00 0.00 O ATOM 0 H GLU A 74 5.317 4.159 -11.657 1.00 0.00 H new ATOM 0 HA GLU A 74 7.647 5.267 -10.382 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.530 6.015 -12.573 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.307 6.773 -11.573 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.077 8.087 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.307 7.321 -11.382 1.00 0.00 H new ATOM 1151 N THR A 75 6.819 5.838 -8.156 1.00 0.00 N ATOM 1152 CA THR A 75 6.387 6.236 -6.827 1.00 0.00 C ATOM 1153 C THR A 75 5.860 7.672 -6.845 1.00 0.00 C ATOM 1154 O THR A 75 5.647 8.246 -7.912 1.00 0.00 O ATOM 1155 CB THR A 75 7.561 6.032 -5.867 1.00 0.00 C ATOM 1156 OG1 THR A 75 8.507 7.023 -6.261 1.00 0.00 O ATOM 1157 CG2 THR A 75 8.290 4.707 -6.106 1.00 0.00 C ATOM 0 H THR A 75 7.803 5.579 -8.225 1.00 0.00 H new ATOM 0 HA THR A 75 5.555 5.622 -6.482 1.00 0.00 H new ATOM 0 HB THR A 75 7.200 6.068 -4.839 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.300 6.964 -5.689 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.114 4.612 -5.399 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.595 3.879 -5.967 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.681 4.685 -7.123 1.00 0.00 H new ATOM 1165 N MET A 76 5.663 8.211 -5.650 1.00 0.00 N ATOM 1166 CA MET A 76 5.165 9.569 -5.515 1.00 0.00 C ATOM 1167 C MET A 76 6.318 10.574 -5.468 1.00 0.00 C ATOM 1168 O MET A 76 6.091 11.783 -5.435 1.00 0.00 O ATOM 1169 CB MET A 76 4.335 9.683 -4.235 1.00 0.00 C ATOM 1170 CG MET A 76 5.235 9.716 -2.999 1.00 0.00 C ATOM 1171 SD MET A 76 4.242 9.642 -1.517 1.00 0.00 S ATOM 1172 CE MET A 76 4.026 7.876 -1.377 1.00 0.00 C ATOM 0 H MET A 76 5.839 7.732 -4.767 1.00 0.00 H new ATOM 0 HA MET A 76 4.545 9.797 -6.382 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.727 10.587 -4.271 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.648 8.840 -4.167 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.930 8.877 -3.023 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.834 10.626 -3.000 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.424 7.652 -0.497 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.522 7.499 -2.267 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.000 7.397 -1.282 1.00 0.00 H new ATOM 1182 N THR A 77 7.529 10.038 -5.466 1.00 0.00 N ATOM 1183 CA THR A 77 8.717 10.872 -5.424 1.00 0.00 C ATOM 1184 C THR A 77 9.291 11.055 -6.830 1.00 0.00 C ATOM 1185 O THR A 77 10.402 11.559 -6.991 1.00 0.00 O ATOM 1186 CB THR A 77 9.705 10.240 -4.442 1.00 0.00 C ATOM 1187 OG1 THR A 77 9.009 10.245 -3.198 1.00 0.00 O ATOM 1188 CG2 THR A 77 10.928 11.124 -4.189 1.00 0.00 C ATOM 0 H THR A 77 7.713 9.035 -5.493 1.00 0.00 H new ATOM 0 HA THR A 77 8.482 11.876 -5.070 1.00 0.00 H new ATOM 0 HB THR A 77 10.030 9.274 -4.827 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.577 9.850 -2.504 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.596 10.628 -3.485 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.453 11.296 -5.128 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.607 12.079 -3.773 1.00 0.00 H new ATOM 1196 N GLY A 78 8.509 10.635 -7.813 1.00 0.00 N ATOM 1197 CA GLY A 78 8.925 10.746 -9.201 1.00 0.00 C ATOM 1198 C GLY A 78 10.048 9.757 -9.517 1.00 0.00 C ATOM 1199 O GLY A 78 10.837 9.979 -10.434 1.00 0.00 O ATOM 0 H GLY A 78 7.589 10.217 -7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.074 10.557 -9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.263 11.762 -9.403 1.00 0.00 H new ATOM 1203 N GLU A 79 10.085 8.684 -8.740 1.00 0.00 N ATOM 1204 CA GLU A 79 11.097 7.659 -8.925 1.00 0.00 C ATOM 1205 C GLU A 79 10.464 6.381 -9.479 1.00 0.00 C ATOM 1206 O GLU A 79 9.289 6.112 -9.239 1.00 0.00 O ATOM 1207 CB GLU A 79 11.842 7.381 -7.618 1.00 0.00 C ATOM 1208 CG GLU A 79 13.311 7.792 -7.724 1.00 0.00 C ATOM 1209 CD GLU A 79 14.060 7.494 -6.424 1.00 0.00 C ATOM 1210 OE1 GLU A 79 14.312 6.321 -6.109 1.00 0.00 O ATOM 1211 OE2 GLU A 79 14.383 8.532 -5.731 1.00 0.00 O ATOM 0 H GLU A 79 9.429 8.503 -7.980 1.00 0.00 H new ATOM 0 HA GLU A 79 11.826 8.023 -9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.367 7.925 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.774 6.320 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.783 7.259 -8.550 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.379 8.856 -7.951 1.00 0.00 H new ATOM 1219 N LYS A 80 11.272 5.626 -10.210 1.00 0.00 N ATOM 1220 CA LYS A 80 10.806 4.383 -10.799 1.00 0.00 C ATOM 1221 C LYS A 80 11.456 3.204 -10.072 1.00 0.00 C ATOM 1222 O LYS A 80 12.674 3.040 -10.113 1.00 0.00 O ATOM 1223 CB LYS A 80 11.048 4.383 -12.310 1.00 0.00 C ATOM 1224 CG LYS A 80 9.917 5.103 -13.046 1.00 0.00 C ATOM 1225 CD LYS A 80 9.585 4.399 -14.364 1.00 0.00 C ATOM 1226 CE LYS A 80 8.245 3.666 -14.271 1.00 0.00 C ATOM 1227 NZ LYS A 80 7.643 3.515 -15.615 1.00 0.00 N ATOM 0 H LYS A 80 12.247 5.852 -10.407 1.00 0.00 H new ATOM 0 HA LYS A 80 9.728 4.281 -10.672 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.998 4.870 -12.530 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.125 3.357 -12.670 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.030 5.136 -12.414 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.206 6.135 -13.244 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.549 5.130 -15.172 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.375 3.690 -14.611 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.391 2.685 -13.819 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.566 4.218 -13.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.734 3.016 -15.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.486 4.454 -16.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.285 2.969 -16.224 1.00 0.00 H new ATOM 1240 N VAL A 81 10.613 2.413 -9.424 1.00 0.00 N ATOM 1241 CA VAL A 81 11.090 1.254 -8.688 1.00 0.00 C ATOM 1242 C VAL A 81 10.434 -0.007 -9.253 1.00 0.00 C ATOM 1243 O VAL A 81 9.282 0.028 -9.684 1.00 0.00 O ATOM 1244 CB VAL A 81 10.835 1.443 -7.192 1.00 0.00 C ATOM 1245 CG1 VAL A 81 11.587 2.663 -6.657 1.00 0.00 C ATOM 1246 CG2 VAL A 81 9.337 1.550 -6.900 1.00 0.00 C ATOM 0 H VAL A 81 9.603 2.552 -9.393 1.00 0.00 H new ATOM 0 HA VAL A 81 12.168 1.141 -8.808 1.00 0.00 H new ATOM 0 HB VAL A 81 11.215 0.562 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.388 2.774 -5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.657 2.529 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.252 3.557 -7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.184 1.684 -5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.922 2.404 -7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.837 0.639 -7.227 1.00 0.00 H new ATOM 1256 N LYS A 82 11.194 -1.092 -9.231 1.00 0.00 N ATOM 1257 CA LYS A 82 10.701 -2.362 -9.736 1.00 0.00 C ATOM 1258 C LYS A 82 10.205 -3.212 -8.565 1.00 0.00 C ATOM 1259 O LYS A 82 11.001 -3.674 -7.748 1.00 0.00 O ATOM 1260 CB LYS A 82 11.768 -3.051 -10.588 1.00 0.00 C ATOM 1261 CG LYS A 82 13.071 -3.221 -9.805 1.00 0.00 C ATOM 1262 CD LYS A 82 14.133 -2.231 -10.287 1.00 0.00 C ATOM 1263 CE LYS A 82 15.505 -2.904 -10.384 1.00 0.00 C ATOM 1264 NZ LYS A 82 15.724 -3.437 -11.747 1.00 0.00 N ATOM 0 H LYS A 82 12.148 -1.118 -8.871 1.00 0.00 H new ATOM 0 HA LYS A 82 9.851 -2.204 -10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.405 -4.026 -10.913 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.954 -2.465 -11.488 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.883 -3.069 -8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.439 -4.240 -9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.849 -1.833 -11.261 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.186 -1.386 -9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.287 -2.186 -10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.573 -3.712 -9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.659 -3.890 -11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.988 -4.137 -11.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.680 -2.659 -12.435 1.00 0.00 H new ATOM 1277 N THR A 83 8.894 -3.395 -8.520 1.00 0.00 N ATOM 1278 CA THR A 83 8.283 -4.181 -7.463 1.00 0.00 C ATOM 1279 C THR A 83 7.839 -5.544 -8.000 1.00 0.00 C ATOM 1280 O THR A 83 7.558 -5.684 -9.189 1.00 0.00 O ATOM 1281 CB THR A 83 7.137 -3.362 -6.865 1.00 0.00 C ATOM 1282 OG1 THR A 83 6.575 -2.683 -7.984 1.00 0.00 O ATOM 1283 CG2 THR A 83 7.635 -2.235 -5.957 1.00 0.00 C ATOM 0 H THR A 83 8.237 -3.012 -9.200 1.00 0.00 H new ATOM 0 HA THR A 83 8.997 -4.396 -6.668 1.00 0.00 H new ATOM 0 HB THR A 83 6.477 -4.020 -6.299 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.623 -2.904 -8.056 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.782 -1.685 -5.559 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.210 -2.658 -5.134 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.268 -1.558 -6.531 1.00 0.00 H new ATOM 1291 N VAL A 84 7.791 -6.513 -7.098 1.00 0.00 N ATOM 1292 CA VAL A 84 7.386 -7.859 -7.465 1.00 0.00 C ATOM 1293 C VAL A 84 6.272 -8.327 -6.528 1.00 0.00 C ATOM 1294 O VAL A 84 6.250 -7.962 -5.353 1.00 0.00 O ATOM 1295 CB VAL A 84 8.601 -8.790 -7.462 1.00 0.00 C ATOM 1296 CG1 VAL A 84 8.933 -9.252 -6.042 1.00 0.00 C ATOM 1297 CG2 VAL A 84 8.378 -9.986 -8.390 1.00 0.00 C ATOM 0 H VAL A 84 8.026 -6.392 -6.113 1.00 0.00 H new ATOM 0 HA VAL A 84 6.984 -7.873 -8.478 1.00 0.00 H new ATOM 0 HB VAL A 84 9.455 -8.228 -7.840 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.800 -9.912 -6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.155 -8.385 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.081 -9.788 -5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.256 -10.631 -8.369 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.506 -10.548 -8.056 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.212 -9.631 -9.407 1.00 0.00 H new ATOM 1307 N VAL A 85 5.373 -9.127 -7.081 1.00 0.00 N ATOM 1308 CA VAL A 85 4.259 -9.649 -6.308 1.00 0.00 C ATOM 1309 C VAL A 85 4.326 -11.177 -6.292 1.00 0.00 C ATOM 1310 O VAL A 85 4.244 -11.817 -7.340 1.00 0.00 O ATOM 1311 CB VAL A 85 2.939 -9.114 -6.867 1.00 0.00 C ATOM 1312 CG1 VAL A 85 1.750 -9.634 -6.057 1.00 0.00 C ATOM 1313 CG2 VAL A 85 2.944 -7.585 -6.916 1.00 0.00 C ATOM 0 H VAL A 85 5.393 -9.427 -8.056 1.00 0.00 H new ATOM 0 HA VAL A 85 4.320 -9.311 -5.274 1.00 0.00 H new ATOM 0 HB VAL A 85 2.834 -9.481 -7.888 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.824 -9.239 -6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.731 -10.723 -6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.847 -9.311 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.994 -7.231 -7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.083 -7.189 -5.910 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.758 -7.244 -7.556 1.00 0.00 H new ATOM 1323 N GLN A 86 4.473 -11.720 -5.092 1.00 0.00 N ATOM 1324 CA GLN A 86 4.552 -13.160 -4.926 1.00 0.00 C ATOM 1325 C GLN A 86 3.367 -13.665 -4.098 1.00 0.00 C ATOM 1326 O GLN A 86 2.895 -12.972 -3.198 1.00 0.00 O ATOM 1327 CB GLN A 86 5.881 -13.567 -4.286 1.00 0.00 C ATOM 1328 CG GLN A 86 6.304 -14.966 -4.741 1.00 0.00 C ATOM 1329 CD GLN A 86 7.670 -15.340 -4.163 1.00 0.00 C ATOM 1330 OE1 GLN A 86 8.185 -14.705 -3.258 1.00 0.00 O ATOM 1331 NE2 GLN A 86 8.225 -16.405 -4.734 1.00 0.00 N ATOM 0 H GLN A 86 4.539 -11.187 -4.225 1.00 0.00 H new ATOM 0 HA GLN A 86 4.505 -13.622 -5.912 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.653 -12.845 -4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.787 -13.547 -3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.559 -15.696 -4.425 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.343 -15.002 -5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.739 -16.891 -5.488 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.137 -16.736 -4.418 1.00 0.00 H new ATOM 1340 N LEU A 87 2.923 -14.867 -4.432 1.00 0.00 N ATOM 1341 CA LEU A 87 1.803 -15.472 -3.731 1.00 0.00 C ATOM 1342 C LEU A 87 2.255 -16.790 -3.099 1.00 0.00 C ATOM 1343 O LEU A 87 2.915 -17.600 -3.748 1.00 0.00 O ATOM 1344 CB LEU A 87 0.601 -15.620 -4.667 1.00 0.00 C ATOM 1345 CG LEU A 87 0.478 -16.962 -5.392 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -0.066 -18.043 -4.455 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -0.368 -16.823 -6.660 1.00 0.00 C ATOM 0 H LEU A 87 3.318 -15.439 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 87 1.468 -14.826 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.308 -15.458 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.648 -14.828 -5.415 1.00 0.00 H new ATOM 0 HG LEU A 87 1.474 -17.277 -5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.144 -18.987 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.609 -18.164 -3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.052 -17.749 -4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.440 -17.790 -7.157 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.367 -16.476 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.100 -16.104 -7.332 1.00 0.00 H new ATOM 1359 N GLU A 88 1.883 -16.963 -1.838 1.00 0.00 N ATOM 1360 CA GLU A 88 2.242 -18.168 -1.111 1.00 0.00 C ATOM 1361 C GLU A 88 1.148 -18.524 -0.101 1.00 0.00 C ATOM 1362 O GLU A 88 1.111 -17.974 0.998 1.00 0.00 O ATOM 1363 CB GLU A 88 3.596 -18.008 -0.418 1.00 0.00 C ATOM 1364 CG GLU A 88 4.536 -19.159 -0.779 1.00 0.00 C ATOM 1365 CD GLU A 88 5.835 -19.080 0.027 1.00 0.00 C ATOM 1366 OE1 GLU A 88 5.794 -18.863 1.247 1.00 0.00 O ATOM 1367 OE2 GLU A 88 6.913 -19.257 -0.658 1.00 0.00 O ATOM 0 H GLU A 88 1.337 -16.288 -1.302 1.00 0.00 H new ATOM 0 HA GLU A 88 2.331 -18.987 -1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.048 -17.060 -0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.454 -17.975 0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.042 -20.111 -0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.763 -19.128 -1.845 1.00 0.00 H new ATOM 1375 N GLY A 89 0.284 -19.442 -0.511 1.00 0.00 N ATOM 1376 CA GLY A 89 -0.807 -19.877 0.344 1.00 0.00 C ATOM 1377 C GLY A 89 -2.147 -19.787 -0.389 1.00 0.00 C ATOM 1378 O GLY A 89 -2.214 -20.008 -1.597 1.00 0.00 O ATOM 0 H GLY A 89 0.318 -19.896 -1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.633 -20.903 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.838 -19.261 1.242 1.00 0.00 H new ATOM 1382 N ASP A 90 -3.180 -19.460 0.373 1.00 0.00 N ATOM 1383 CA ASP A 90 -4.515 -19.338 -0.188 1.00 0.00 C ATOM 1384 C ASP A 90 -4.921 -17.863 -0.212 1.00 0.00 C ATOM 1385 O ASP A 90 -5.790 -17.467 -0.986 1.00 0.00 O ATOM 1386 CB ASP A 90 -5.540 -20.097 0.657 1.00 0.00 C ATOM 1387 CG ASP A 90 -5.380 -21.619 0.656 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -4.969 -22.217 1.661 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -5.701 -22.199 -0.450 1.00 0.00 O ATOM 0 H ASP A 90 -3.120 -19.276 1.374 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.497 -19.757 -1.194 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.476 -19.741 1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.539 -19.852 0.296 1.00 0.00 H new ATOM 1395 N ASN A 91 -4.271 -17.090 0.646 1.00 0.00 N ATOM 1396 CA ASN A 91 -4.553 -15.667 0.735 1.00 0.00 C ATOM 1397 C ASN A 91 -3.358 -14.953 1.370 1.00 0.00 C ATOM 1398 O ASN A 91 -3.452 -14.456 2.491 1.00 0.00 O ATOM 1399 CB ASN A 91 -5.781 -15.402 1.607 1.00 0.00 C ATOM 1400 CG ASN A 91 -7.067 -15.480 0.781 1.00 0.00 C ATOM 1401 OD1 ASN A 91 -7.053 -15.477 -0.438 1.00 0.00 O ATOM 1402 ND2 ASN A 91 -8.175 -15.551 1.513 1.00 0.00 N ATOM 0 H ASN A 91 -3.550 -17.422 1.286 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.741 -15.297 -0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.820 -16.130 2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.699 -14.417 2.067 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.085 -15.608 1.056 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.115 -15.549 2.531 1.00 0.00 H new ATOM 1409 N LYS A 92 -2.263 -14.924 0.625 1.00 0.00 N ATOM 1410 CA LYS A 92 -1.051 -14.279 1.102 1.00 0.00 C ATOM 1411 C LYS A 92 -0.299 -13.675 -0.085 1.00 0.00 C ATOM 1412 O LYS A 92 -0.030 -14.362 -1.069 1.00 0.00 O ATOM 1413 CB LYS A 92 -0.213 -15.257 1.928 1.00 0.00 C ATOM 1414 CG LYS A 92 0.668 -14.512 2.934 1.00 0.00 C ATOM 1415 CD LYS A 92 1.273 -15.478 3.954 1.00 0.00 C ATOM 1416 CE LYS A 92 2.771 -15.221 4.131 1.00 0.00 C ATOM 1417 NZ LYS A 92 3.436 -16.410 4.709 1.00 0.00 N ATOM 0 H LYS A 92 -2.189 -15.336 -0.305 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.296 -13.458 1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.870 -15.948 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.412 -15.855 1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.465 -13.988 2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.077 -13.756 3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.765 -15.366 4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.113 -16.505 3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.220 -14.978 3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.924 -14.360 4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.452 -16.219 4.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.018 -16.625 5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.306 -17.223 4.074 1.00 0.00 H new ATOM 1430 N LEU A 93 0.020 -12.396 0.047 1.00 0.00 N ATOM 1431 CA LEU A 93 0.736 -11.691 -1.003 1.00 0.00 C ATOM 1432 C LEU A 93 2.073 -11.187 -0.454 1.00 0.00 C ATOM 1433 O LEU A 93 2.109 -10.495 0.563 1.00 0.00 O ATOM 1434 CB LEU A 93 -0.139 -10.587 -1.600 1.00 0.00 C ATOM 1435 CG LEU A 93 0.262 -10.092 -2.992 1.00 0.00 C ATOM 1436 CD1 LEU A 93 -0.973 -9.808 -3.849 1.00 0.00 C ATOM 1437 CD2 LEU A 93 1.186 -8.876 -2.895 1.00 0.00 C ATOM 0 H LEU A 93 -0.204 -11.829 0.865 1.00 0.00 H new ATOM 0 HA LEU A 93 0.964 -12.366 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.166 -10.950 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.132 -9.737 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 93 0.823 -10.884 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.661 -9.458 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.558 -10.721 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.582 -9.042 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.456 -8.544 -3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.672 -8.070 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.088 -9.147 -2.347 1.00 0.00 H new ATOM 1449 N VAL A 94 3.137 -11.554 -1.151 1.00 0.00 N ATOM 1450 CA VAL A 94 4.473 -11.148 -0.745 1.00 0.00 C ATOM 1451 C VAL A 94 5.110 -10.319 -1.862 1.00 0.00 C ATOM 1452 O VAL A 94 5.330 -10.820 -2.964 1.00 0.00 O ATOM 1453 CB VAL A 94 5.301 -12.377 -0.365 1.00 0.00 C ATOM 1454 CG1 VAL A 94 6.641 -11.967 0.248 1.00 0.00 C ATOM 1455 CG2 VAL A 94 4.521 -13.292 0.581 1.00 0.00 C ATOM 0 H VAL A 94 3.103 -12.128 -1.994 1.00 0.00 H new ATOM 0 HA VAL A 94 4.428 -10.517 0.143 1.00 0.00 H new ATOM 0 HB VAL A 94 5.508 -12.937 -1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.210 -12.859 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.205 -11.375 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.464 -11.374 1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.132 -14.158 0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.269 -12.746 1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.605 -13.625 0.092 1.00 0.00 H new ATOM 1465 N THR A 95 5.390 -9.065 -1.540 1.00 0.00 N ATOM 1466 CA THR A 95 5.998 -8.162 -2.502 1.00 0.00 C ATOM 1467 C THR A 95 7.152 -7.393 -1.857 1.00 0.00 C ATOM 1468 O THR A 95 7.112 -7.092 -0.665 1.00 0.00 O ATOM 1469 CB THR A 95 4.899 -7.255 -3.060 1.00 0.00 C ATOM 1470 OG1 THR A 95 5.511 -5.969 -3.126 1.00 0.00 O ATOM 1471 CG2 THR A 95 3.741 -7.067 -2.076 1.00 0.00 C ATOM 0 H THR A 95 5.207 -8.653 -0.625 1.00 0.00 H new ATOM 0 HA THR A 95 6.440 -8.710 -3.334 1.00 0.00 H new ATOM 0 HB THR A 95 4.520 -7.674 -3.992 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.869 -5.319 -3.479 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.988 -6.416 -2.520 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.295 -8.035 -1.850 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.114 -6.616 -1.157 1.00 0.00 H new ATOM 1479 N THR A 96 8.153 -7.096 -2.673 1.00 0.00 N ATOM 1480 CA THR A 96 9.316 -6.367 -2.196 1.00 0.00 C ATOM 1481 C THR A 96 9.496 -5.071 -2.989 1.00 0.00 C ATOM 1482 O THR A 96 9.001 -4.952 -4.108 1.00 0.00 O ATOM 1483 CB THR A 96 10.525 -7.302 -2.277 1.00 0.00 C ATOM 1484 OG1 THR A 96 9.997 -8.583 -1.945 1.00 0.00 O ATOM 1485 CG2 THR A 96 11.553 -7.026 -1.179 1.00 0.00 C ATOM 0 H THR A 96 8.183 -7.347 -3.661 1.00 0.00 H new ATOM 0 HA THR A 96 9.192 -6.060 -1.157 1.00 0.00 H new ATOM 0 HB THR A 96 11.000 -7.197 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.714 -9.250 -1.975 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.390 -7.717 -1.282 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.915 -6.002 -1.268 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.088 -7.163 -0.203 1.00 0.00 H new ATOM 1493 N PHE A 97 10.204 -4.134 -2.376 1.00 0.00 N ATOM 1494 CA PHE A 97 10.454 -2.851 -3.011 1.00 0.00 C ATOM 1495 C PHE A 97 11.935 -2.691 -3.358 1.00 0.00 C ATOM 1496 O PHE A 97 12.761 -3.515 -2.967 1.00 0.00 O ATOM 1497 CB PHE A 97 10.057 -1.769 -2.004 1.00 0.00 C ATOM 1498 CG PHE A 97 9.127 -0.698 -2.576 1.00 0.00 C ATOM 1499 CD1 PHE A 97 7.855 -1.021 -2.933 1.00 0.00 C ATOM 1500 CD2 PHE A 97 9.572 0.579 -2.728 1.00 0.00 C ATOM 1501 CE1 PHE A 97 6.992 -0.027 -3.463 1.00 0.00 C ATOM 1502 CE2 PHE A 97 8.709 1.573 -3.259 1.00 0.00 C ATOM 1503 CZ PHE A 97 7.437 1.250 -3.615 1.00 0.00 C ATOM 0 H PHE A 97 10.612 -4.237 -1.447 1.00 0.00 H new ATOM 0 HA PHE A 97 9.882 -2.775 -3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 97 9.569 -2.242 -1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 97 10.960 -1.288 -1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 97 7.502 -2.034 -2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 97 10.582 0.836 -2.445 1.00 0.00 H new ATOM 0 HE1 PHE A 97 5.982 -0.284 -3.746 1.00 0.00 H new ATOM 0 HE2 PHE A 97 9.063 2.586 -3.380 1.00 0.00 H new ATOM 0 HZ PHE A 97 6.780 2.007 -4.018 1.00 0.00 H new ATOM 1513 N LYS A 98 12.227 -1.625 -4.089 1.00 0.00 N ATOM 1514 CA LYS A 98 13.595 -1.346 -4.492 1.00 0.00 C ATOM 1515 C LYS A 98 14.550 -1.784 -3.380 1.00 0.00 C ATOM 1516 O LYS A 98 15.578 -2.405 -3.649 1.00 0.00 O ATOM 1517 CB LYS A 98 13.747 0.124 -4.889 1.00 0.00 C ATOM 1518 CG LYS A 98 13.227 1.047 -3.785 1.00 0.00 C ATOM 1519 CD LYS A 98 14.326 1.359 -2.768 1.00 0.00 C ATOM 1520 CE LYS A 98 14.410 2.861 -2.494 1.00 0.00 C ATOM 1521 NZ LYS A 98 14.324 3.129 -1.042 1.00 0.00 N ATOM 0 H LYS A 98 11.540 -0.944 -4.413 1.00 0.00 H new ATOM 0 HA LYS A 98 13.855 -1.921 -5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 98 14.796 0.344 -5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.201 0.313 -5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.860 1.974 -4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.383 0.577 -3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.127 0.827 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 98 15.285 1.000 -3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.346 3.257 -2.888 1.00 0.00 H new ATOM 0 HE3 LYS A 98 13.602 3.377 -3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.383 4.154 -0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.420 2.769 -0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.109 2.653 -0.554 1.00 0.00 H new ATOM 1534 N ASN A 99 14.176 -1.446 -2.155 1.00 0.00 N ATOM 1535 CA ASN A 99 14.987 -1.797 -1.002 1.00 0.00 C ATOM 1536 C ASN A 99 14.117 -1.765 0.256 1.00 0.00 C ATOM 1537 O ASN A 99 14.566 -1.329 1.315 1.00 0.00 O ATOM 1538 CB ASN A 99 16.132 -0.802 -0.809 1.00 0.00 C ATOM 1539 CG ASN A 99 17.451 -1.528 -0.541 1.00 0.00 C ATOM 1540 OD1 ASN A 99 17.486 -2.694 -0.183 1.00 0.00 O ATOM 1541 ND2 ASN A 99 18.532 -0.777 -0.733 1.00 0.00 N ATOM 0 H ASN A 99 13.322 -0.933 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 99 15.399 -2.792 -1.171 1.00 0.00 H new ATOM 0 HB2 ASN A 99 16.230 -0.179 -1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 99 15.904 -0.137 0.024 1.00 0.00 H new ATOM 0 HD21 ASN A 99 19.460 -1.171 -0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 99 18.433 0.193 -1.033 1.00 0.00 H new ATOM 1548 N ILE A 100 12.887 -2.232 0.098 1.00 0.00 N ATOM 1549 CA ILE A 100 11.949 -2.263 1.209 1.00 0.00 C ATOM 1550 C ILE A 100 11.213 -3.605 1.211 1.00 0.00 C ATOM 1551 O ILE A 100 10.543 -3.951 0.241 1.00 0.00 O ATOM 1552 CB ILE A 100 11.018 -1.050 1.157 1.00 0.00 C ATOM 1553 CG1 ILE A 100 11.816 0.247 1.008 1.00 0.00 C ATOM 1554 CG2 ILE A 100 10.093 -1.017 2.375 1.00 0.00 C ATOM 1555 CD1 ILE A 100 10.914 1.394 0.545 1.00 0.00 C ATOM 0 H ILE A 100 12.518 -2.592 -0.782 1.00 0.00 H new ATOM 0 HA ILE A 100 12.479 -2.188 2.159 1.00 0.00 H new ATOM 0 HB ILE A 100 10.385 -1.142 0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 100 12.279 0.505 1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 100 12.623 0.101 0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.442 -0.145 2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.486 -1.922 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.691 -0.960 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 100 11.505 2.305 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 100 10.472 1.143 -0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 100 10.122 1.553 1.277 1.00 0.00 H new ATOM 1567 N LYS A 101 11.362 -4.322 2.316 1.00 0.00 N ATOM 1568 CA LYS A 101 10.719 -5.617 2.459 1.00 0.00 C ATOM 1569 C LYS A 101 9.292 -5.420 2.971 1.00 0.00 C ATOM 1570 O LYS A 101 9.088 -4.892 4.063 1.00 0.00 O ATOM 1571 CB LYS A 101 11.566 -6.541 3.337 1.00 0.00 C ATOM 1572 CG LYS A 101 11.331 -6.252 4.822 1.00 0.00 C ATOM 1573 CD LYS A 101 12.506 -6.747 5.668 1.00 0.00 C ATOM 1574 CE LYS A 101 12.076 -6.986 7.116 1.00 0.00 C ATOM 1575 NZ LYS A 101 13.060 -7.842 7.815 1.00 0.00 N ATOM 0 H LYS A 101 11.918 -4.031 3.120 1.00 0.00 H new ATOM 0 HA LYS A 101 10.644 -6.114 1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.319 -7.581 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.621 -6.408 3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.196 -5.181 4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.412 -6.737 5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.900 -7.671 5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.313 -6.014 5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.981 -6.032 7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.094 -7.459 7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.752 -7.994 8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.131 -8.758 7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.990 -7.376 7.812 1.00 0.00 H new ATOM 1588 N SER A 102 8.340 -5.854 2.157 1.00 0.00 N ATOM 1589 CA SER A 102 6.937 -5.732 2.515 1.00 0.00 C ATOM 1590 C SER A 102 6.281 -7.113 2.540 1.00 0.00 C ATOM 1591 O SER A 102 6.496 -7.924 1.640 1.00 0.00 O ATOM 1592 CB SER A 102 6.199 -4.810 1.541 1.00 0.00 C ATOM 1593 OG SER A 102 6.142 -3.468 2.015 1.00 0.00 O ATOM 0 H SER A 102 8.513 -6.290 1.251 1.00 0.00 H new ATOM 0 HA SER A 102 6.875 -5.290 3.510 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.699 -4.831 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.187 -5.183 1.386 1.00 0.00 H new ATOM 0 HG SER A 102 6.083 -3.469 2.993 1.00 0.00 H new ATOM 1599 N VAL A 103 5.492 -7.340 3.580 1.00 0.00 N ATOM 1600 CA VAL A 103 4.803 -8.609 3.735 1.00 0.00 C ATOM 1601 C VAL A 103 3.299 -8.357 3.852 1.00 0.00 C ATOM 1602 O VAL A 103 2.852 -7.652 4.756 1.00 0.00 O ATOM 1603 CB VAL A 103 5.376 -9.375 4.929 1.00 0.00 C ATOM 1604 CG1 VAL A 103 4.531 -10.610 5.246 1.00 0.00 C ATOM 1605 CG2 VAL A 103 6.838 -9.757 4.685 1.00 0.00 C ATOM 0 H VAL A 103 5.315 -6.665 4.324 1.00 0.00 H new ATOM 0 HA VAL A 103 4.960 -9.238 2.858 1.00 0.00 H new ATOM 0 HB VAL A 103 5.343 -8.716 5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.961 -11.136 6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.513 -10.303 5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.516 -11.273 4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.221 -10.300 5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.906 -10.389 3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.429 -8.854 4.533 1.00 0.00 H new ATOM 1615 N THR A 104 2.557 -8.947 2.926 1.00 0.00 N ATOM 1616 CA THR A 104 1.112 -8.795 2.914 1.00 0.00 C ATOM 1617 C THR A 104 0.436 -10.100 3.340 1.00 0.00 C ATOM 1618 O THR A 104 0.862 -11.183 2.941 1.00 0.00 O ATOM 1619 CB THR A 104 0.697 -8.322 1.520 1.00 0.00 C ATOM 1620 OG1 THR A 104 1.906 -7.829 0.947 1.00 0.00 O ATOM 1621 CG2 THR A 104 -0.219 -7.098 1.565 1.00 0.00 C ATOM 0 H THR A 104 2.930 -9.532 2.178 1.00 0.00 H new ATOM 0 HA THR A 104 0.787 -8.046 3.636 1.00 0.00 H new ATOM 0 HB THR A 104 0.192 -9.134 0.997 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.395 -8.568 0.528 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.483 -6.804 0.549 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.125 -7.342 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.298 -6.275 2.058 1.00 0.00 H new ATOM 1629 N GLU A 105 -0.607 -9.954 4.144 1.00 0.00 N ATOM 1630 CA GLU A 105 -1.347 -11.107 4.629 1.00 0.00 C ATOM 1631 C GLU A 105 -2.835 -10.771 4.746 1.00 0.00 C ATOM 1632 O GLU A 105 -3.209 -9.601 4.799 1.00 0.00 O ATOM 1633 CB GLU A 105 -0.787 -11.594 5.966 1.00 0.00 C ATOM 1634 CG GLU A 105 -1.054 -13.089 6.159 1.00 0.00 C ATOM 1635 CD GLU A 105 -0.064 -13.699 7.154 1.00 0.00 C ATOM 1636 OE1 GLU A 105 1.016 -13.131 7.381 1.00 0.00 O ATOM 1637 OE2 GLU A 105 -0.449 -14.801 7.701 1.00 0.00 O ATOM 0 H GLU A 105 -0.957 -9.054 4.472 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.234 -11.917 3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.286 -11.404 6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -1.241 -11.031 6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.073 -13.237 6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -0.975 -13.603 5.201 1.00 0.00 H new ATOM 1645 N LEU A 106 -3.644 -11.820 4.782 1.00 0.00 N ATOM 1646 CA LEU A 106 -5.082 -11.652 4.891 1.00 0.00 C ATOM 1647 C LEU A 106 -5.573 -12.314 6.180 1.00 0.00 C ATOM 1648 O LEU A 106 -5.374 -13.512 6.382 1.00 0.00 O ATOM 1649 CB LEU A 106 -5.781 -12.168 3.631 1.00 0.00 C ATOM 1650 CG LEU A 106 -6.314 -11.099 2.674 1.00 0.00 C ATOM 1651 CD1 LEU A 106 -5.884 -11.389 1.235 1.00 0.00 C ATOM 1652 CD2 LEU A 106 -7.832 -10.959 2.802 1.00 0.00 C ATOM 0 H LEU A 106 -3.330 -12.789 4.738 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.336 -10.594 4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.081 -12.800 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.613 -12.803 3.935 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.877 -10.140 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.276 -10.615 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.796 -11.400 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.274 -12.359 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.186 -10.193 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.307 -11.911 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.086 -10.673 3.823 1.00 0.00 H new ATOM 1664 N ASN A 107 -6.204 -11.507 7.021 1.00 0.00 N ATOM 1665 CA ASN A 107 -6.724 -12.001 8.284 1.00 0.00 C ATOM 1666 C ASN A 107 -8.113 -11.406 8.527 1.00 0.00 C ATOM 1667 O ASN A 107 -8.235 -10.288 9.024 1.00 0.00 O ATOM 1668 CB ASN A 107 -5.823 -11.587 9.449 1.00 0.00 C ATOM 1669 CG ASN A 107 -4.487 -12.332 9.401 1.00 0.00 C ATOM 1670 OD1 ASN A 107 -3.826 -12.407 8.380 1.00 0.00 O ATOM 1671 ND2 ASN A 107 -4.130 -12.876 10.561 1.00 0.00 N ATOM 0 H ASN A 107 -6.367 -10.514 6.852 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.767 -13.089 8.229 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.646 -10.512 9.412 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.326 -11.795 10.394 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -3.255 -13.394 10.633 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -4.732 -12.775 11.378 1.00 0.00 H new ATOM 1678 N GLY A 108 -9.124 -12.181 8.164 1.00 0.00 N ATOM 1679 CA GLY A 108 -10.500 -11.745 8.335 1.00 0.00 C ATOM 1680 C GLY A 108 -10.768 -10.458 7.554 1.00 0.00 C ATOM 1681 O GLY A 108 -10.699 -10.446 6.325 1.00 0.00 O ATOM 0 H GLY A 108 -9.018 -13.108 7.752 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.178 -12.528 7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -10.705 -11.582 9.393 1.00 0.00 H new ATOM 1685 N ASP A 109 -11.069 -9.404 8.298 1.00 0.00 N ATOM 1686 CA ASP A 109 -11.348 -8.114 7.690 1.00 0.00 C ATOM 1687 C ASP A 109 -10.247 -7.123 8.077 1.00 0.00 C ATOM 1688 O ASP A 109 -10.414 -5.915 7.926 1.00 0.00 O ATOM 1689 CB ASP A 109 -12.683 -7.550 8.181 1.00 0.00 C ATOM 1690 CG ASP A 109 -13.915 -8.365 7.781 1.00 0.00 C ATOM 1691 OD1 ASP A 109 -14.644 -8.001 6.846 1.00 0.00 O ATOM 1692 OD2 ASP A 109 -14.118 -9.427 8.482 1.00 0.00 O ATOM 0 H ASP A 109 -11.126 -9.417 9.316 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.390 -8.254 6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.652 -7.477 9.268 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.796 -6.536 7.796 1.00 0.00 H new ATOM 1698 N ILE A 110 -9.146 -7.673 8.566 1.00 0.00 N ATOM 1699 CA ILE A 110 -8.018 -6.854 8.975 1.00 0.00 C ATOM 1700 C ILE A 110 -6.801 -7.205 8.116 1.00 0.00 C ATOM 1701 O ILE A 110 -6.451 -8.376 7.979 1.00 0.00 O ATOM 1702 CB ILE A 110 -7.770 -6.995 10.478 1.00 0.00 C ATOM 1703 CG1 ILE A 110 -9.005 -6.573 11.279 1.00 0.00 C ATOM 1704 CG2 ILE A 110 -6.520 -6.222 10.902 1.00 0.00 C ATOM 1705 CD1 ILE A 110 -9.180 -5.053 11.256 1.00 0.00 C ATOM 0 H ILE A 110 -9.011 -8.677 8.688 1.00 0.00 H new ATOM 0 HA ILE A 110 -8.234 -5.799 8.809 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.588 -8.047 10.698 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.893 -7.051 10.865 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.910 -6.916 12.309 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.366 -6.339 11.975 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.653 -6.610 10.367 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -6.648 -5.165 10.667 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.064 -4.780 11.832 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.301 -4.579 11.693 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.300 -4.716 10.226 1.00 0.00 H new ATOM 1717 N ILE A 111 -6.190 -6.169 7.561 1.00 0.00 N ATOM 1718 CA ILE A 111 -5.020 -6.353 6.720 1.00 0.00 C ATOM 1719 C ILE A 111 -3.800 -5.737 7.409 1.00 0.00 C ATOM 1720 O ILE A 111 -3.813 -4.561 7.767 1.00 0.00 O ATOM 1721 CB ILE A 111 -5.277 -5.800 5.316 1.00 0.00 C ATOM 1722 CG1 ILE A 111 -6.367 -6.603 4.602 1.00 0.00 C ATOM 1723 CG2 ILE A 111 -3.982 -5.742 4.504 1.00 0.00 C ATOM 1724 CD1 ILE A 111 -7.021 -5.775 3.495 1.00 0.00 C ATOM 0 H ILE A 111 -6.483 -5.199 7.677 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.810 -7.414 6.587 1.00 0.00 H new ATOM 0 HB ILE A 111 -5.642 -4.777 5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.936 -7.510 4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -7.123 -6.916 5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.193 -5.346 3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.265 -5.094 5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.564 -6.745 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.792 -6.369 3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.472 -4.881 3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.266 -5.484 2.764 1.00 0.00 H new ATOM 1736 N THR A 112 -2.776 -6.561 7.573 1.00 0.00 N ATOM 1737 CA THR A 112 -1.550 -6.112 8.212 1.00 0.00 C ATOM 1738 C THR A 112 -0.448 -5.911 7.170 1.00 0.00 C ATOM 1739 O THR A 112 -0.071 -6.851 6.472 1.00 0.00 O ATOM 1740 CB THR A 112 -1.184 -7.128 9.297 1.00 0.00 C ATOM 1741 OG1 THR A 112 -2.201 -6.966 10.281 1.00 0.00 O ATOM 1742 CG2 THR A 112 0.107 -6.760 10.031 1.00 0.00 C ATOM 0 H THR A 112 -2.770 -7.536 7.275 1.00 0.00 H new ATOM 0 HA THR A 112 -1.684 -5.140 8.688 1.00 0.00 H new ATOM 0 HB THR A 112 -1.078 -8.116 8.849 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.042 -7.589 11.021 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.321 -7.513 10.790 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.931 -6.718 9.319 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.010 -5.787 10.508 1.00 0.00 H new ATOM 1750 N ASN A 113 0.039 -4.681 7.100 1.00 0.00 N ATOM 1751 CA ASN A 113 1.091 -4.345 6.156 1.00 0.00 C ATOM 1752 C ASN A 113 2.393 -4.093 6.918 1.00 0.00 C ATOM 1753 O ASN A 113 2.382 -3.488 7.989 1.00 0.00 O ATOM 1754 CB ASN A 113 0.746 -3.076 5.376 1.00 0.00 C ATOM 1755 CG ASN A 113 -0.163 -3.392 4.187 1.00 0.00 C ATOM 1756 OD1 ASN A 113 -1.378 -3.428 4.294 1.00 0.00 O ATOM 1757 ND2 ASN A 113 0.489 -3.618 3.051 1.00 0.00 N ATOM 0 H ASN A 113 -0.276 -3.905 7.682 1.00 0.00 H new ATOM 0 HA ASN A 113 1.198 -5.177 5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.252 -2.362 6.036 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.662 -2.602 5.022 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.029 -3.837 2.200 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.508 -3.572 3.030 1.00 0.00 H new ATOM 1764 N THR A 114 3.483 -4.570 6.336 1.00 0.00 N ATOM 1765 CA THR A 114 4.792 -4.404 6.947 1.00 0.00 C ATOM 1766 C THR A 114 5.688 -3.538 6.061 1.00 0.00 C ATOM 1767 O THR A 114 5.834 -3.805 4.869 1.00 0.00 O ATOM 1768 CB THR A 114 5.367 -5.795 7.219 1.00 0.00 C ATOM 1769 OG1 THR A 114 4.856 -6.595 6.157 1.00 0.00 O ATOM 1770 CG2 THR A 114 4.784 -6.434 8.480 1.00 0.00 C ATOM 0 H THR A 114 3.487 -5.072 5.448 1.00 0.00 H new ATOM 0 HA THR A 114 4.721 -3.875 7.897 1.00 0.00 H new ATOM 0 HB THR A 114 6.451 -5.727 7.315 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.086 -7.111 6.477 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.226 -7.420 8.626 1.00 0.00 H new ATOM 0 HG22 THR A 114 5.006 -5.805 9.342 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.704 -6.533 8.372 1.00 0.00 H new ATOM 1778 N MET A 115 6.266 -2.516 6.676 1.00 0.00 N ATOM 1779 CA MET A 115 7.145 -1.609 5.958 1.00 0.00 C ATOM 1780 C MET A 115 8.272 -1.106 6.863 1.00 0.00 C ATOM 1781 O MET A 115 8.052 -0.840 8.044 1.00 0.00 O ATOM 1782 CB MET A 115 6.336 -0.419 5.439 1.00 0.00 C ATOM 1783 CG MET A 115 5.842 -0.672 4.012 1.00 0.00 C ATOM 1784 SD MET A 115 4.334 0.237 3.719 1.00 0.00 S ATOM 1785 CE MET A 115 4.156 -0.020 1.961 1.00 0.00 C ATOM 0 H MET A 115 6.142 -2.296 7.664 1.00 0.00 H new ATOM 0 HA MET A 115 7.590 -2.149 5.122 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.485 -0.239 6.096 1.00 0.00 H new ATOM 0 HB3 MET A 115 6.951 0.481 5.461 1.00 0.00 H new ATOM 0 HG2 MET A 115 6.605 -0.368 3.295 1.00 0.00 H new ATOM 0 HG3 MET A 115 5.669 -1.738 3.862 1.00 0.00 H new ATOM 0 HE1 MET A 115 3.256 0.485 1.609 1.00 0.00 H new ATOM 0 HE2 MET A 115 5.026 0.386 1.444 1.00 0.00 H new ATOM 0 HE3 MET A 115 4.077 -1.088 1.756 1.00 0.00 H new ATOM 1795 N THR A 116 9.452 -0.989 6.273 1.00 0.00 N ATOM 1796 CA THR A 116 10.614 -0.522 7.011 1.00 0.00 C ATOM 1797 C THR A 116 11.249 0.677 6.303 1.00 0.00 C ATOM 1798 O THR A 116 11.739 0.550 5.182 1.00 0.00 O ATOM 1799 CB THR A 116 11.571 -1.703 7.185 1.00 0.00 C ATOM 1800 OG1 THR A 116 12.712 -1.135 7.820 1.00 0.00 O ATOM 1801 CG2 THR A 116 12.107 -2.222 5.849 1.00 0.00 C ATOM 0 H THR A 116 9.629 -1.209 5.293 1.00 0.00 H new ATOM 0 HA THR A 116 10.335 -0.164 8.002 1.00 0.00 H new ATOM 0 HB THR A 116 11.060 -2.510 7.710 1.00 0.00 H new ATOM 0 HG1 THR A 116 13.383 -1.833 7.972 1.00 0.00 H new ATOM 0 HG21 THR A 116 12.781 -3.060 6.028 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.275 -2.552 5.227 1.00 0.00 H new ATOM 0 HG23 THR A 116 12.647 -1.424 5.339 1.00 0.00 H new ATOM 1809 N LEU A 117 11.219 1.810 6.987 1.00 0.00 N ATOM 1810 CA LEU A 117 11.786 3.031 6.437 1.00 0.00 C ATOM 1811 C LEU A 117 12.426 3.844 7.565 1.00 0.00 C ATOM 1812 O LEU A 117 11.852 3.973 8.644 1.00 0.00 O ATOM 1813 CB LEU A 117 10.730 3.803 5.644 1.00 0.00 C ATOM 1814 CG LEU A 117 10.792 3.657 4.123 1.00 0.00 C ATOM 1815 CD1 LEU A 117 9.556 2.928 3.592 1.00 0.00 C ATOM 1816 CD2 LEU A 117 10.990 5.015 3.450 1.00 0.00 C ATOM 0 H LEU A 117 10.811 1.910 7.917 1.00 0.00 H new ATOM 0 HA LEU A 117 12.577 2.797 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 117 9.745 3.480 5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.820 4.861 5.891 1.00 0.00 H new ATOM 0 HG LEU A 117 11.659 3.045 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.625 2.837 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.501 1.934 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.661 3.492 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 117 11.031 4.883 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 117 10.158 5.672 3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 117 11.923 5.460 3.796 1.00 0.00 H new ATOM 1828 N GLY A 118 13.607 4.369 7.274 1.00 0.00 N ATOM 1829 CA GLY A 118 14.332 5.166 8.251 1.00 0.00 C ATOM 1830 C GLY A 118 14.508 4.399 9.562 1.00 0.00 C ATOM 1831 O GLY A 118 14.593 5.001 10.631 1.00 0.00 O ATOM 0 H GLY A 118 14.080 4.259 6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 118 15.309 5.438 7.851 1.00 0.00 H new ATOM 0 HA3 GLY A 118 13.794 6.095 8.439 1.00 0.00 H new ATOM 1835 N ASP A 119 14.559 3.081 9.437 1.00 0.00 N ATOM 1836 CA ASP A 119 14.725 2.224 10.600 1.00 0.00 C ATOM 1837 C ASP A 119 13.424 2.209 11.405 1.00 0.00 C ATOM 1838 O ASP A 119 13.373 1.644 12.496 1.00 0.00 O ATOM 1839 CB ASP A 119 15.840 2.742 11.510 1.00 0.00 C ATOM 1840 CG ASP A 119 16.807 1.671 12.020 1.00 0.00 C ATOM 1841 OD1 ASP A 119 16.511 0.468 11.973 1.00 0.00 O ATOM 1842 OD2 ASP A 119 17.922 2.122 12.488 1.00 0.00 O ATOM 0 H ASP A 119 14.488 2.585 8.548 1.00 0.00 H new ATOM 0 HA ASP A 119 14.982 1.224 10.250 1.00 0.00 H new ATOM 0 HB2 ASP A 119 16.410 3.497 10.968 1.00 0.00 H new ATOM 0 HB3 ASP A 119 15.387 3.240 12.368 1.00 0.00 H new ATOM 1848 N ILE A 120 12.407 2.839 10.838 1.00 0.00 N ATOM 1849 CA ILE A 120 11.110 2.904 11.490 1.00 0.00 C ATOM 1850 C ILE A 120 10.143 1.947 10.791 1.00 0.00 C ATOM 1851 O ILE A 120 9.924 2.050 9.585 1.00 0.00 O ATOM 1852 CB ILE A 120 10.611 4.350 11.546 1.00 0.00 C ATOM 1853 CG1 ILE A 120 11.615 5.249 12.272 1.00 0.00 C ATOM 1854 CG2 ILE A 120 9.217 4.425 12.171 1.00 0.00 C ATOM 1855 CD1 ILE A 120 11.601 6.665 11.694 1.00 0.00 C ATOM 0 H ILE A 120 12.454 3.309 9.934 1.00 0.00 H new ATOM 0 HA ILE A 120 11.188 2.577 12.527 1.00 0.00 H new ATOM 0 HB ILE A 120 10.526 4.722 10.525 1.00 0.00 H new ATOM 0 HG12 ILE A 120 11.375 5.284 13.335 1.00 0.00 H new ATOM 0 HG13 ILE A 120 12.616 4.827 12.185 1.00 0.00 H new ATOM 0 HG21 ILE A 120 8.886 5.463 12.199 1.00 0.00 H new ATOM 0 HG22 ILE A 120 8.519 3.837 11.575 1.00 0.00 H new ATOM 0 HG23 ILE A 120 9.251 4.028 13.185 1.00 0.00 H new ATOM 0 HD11 ILE A 120 12.323 7.283 12.228 1.00 0.00 H new ATOM 0 HD12 ILE A 120 11.865 6.629 10.637 1.00 0.00 H new ATOM 0 HD13 ILE A 120 10.605 7.093 11.805 1.00 0.00 H new ATOM 1867 N VAL A 121 9.589 1.037 11.578 1.00 0.00 N ATOM 1868 CA VAL A 121 8.650 0.062 11.050 1.00 0.00 C ATOM 1869 C VAL A 121 7.290 0.251 11.726 1.00 0.00 C ATOM 1870 O VAL A 121 7.208 0.333 12.951 1.00 0.00 O ATOM 1871 CB VAL A 121 9.211 -1.351 11.221 1.00 0.00 C ATOM 1872 CG1 VAL A 121 9.215 -1.764 12.694 1.00 0.00 C ATOM 1873 CG2 VAL A 121 8.432 -2.357 10.372 1.00 0.00 C ATOM 0 H VAL A 121 9.772 0.954 12.578 1.00 0.00 H new ATOM 0 HA VAL A 121 8.505 0.213 9.980 1.00 0.00 H new ATOM 0 HB VAL A 121 10.243 -1.346 10.871 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.618 -2.772 12.788 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.833 -1.071 13.264 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.196 -1.743 13.080 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.851 -3.353 10.512 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.386 -2.358 10.677 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.503 -2.078 9.321 1.00 0.00 H new ATOM 1883 N PHE A 122 6.257 0.315 10.898 1.00 0.00 N ATOM 1884 CA PHE A 122 4.906 0.493 11.401 1.00 0.00 C ATOM 1885 C PHE A 122 3.923 -0.423 10.668 1.00 0.00 C ATOM 1886 O PHE A 122 4.158 -0.799 9.521 1.00 0.00 O ATOM 1887 CB PHE A 122 4.520 1.950 11.139 1.00 0.00 C ATOM 1888 CG PHE A 122 3.905 2.192 9.758 1.00 0.00 C ATOM 1889 CD1 PHE A 122 4.649 1.988 8.638 1.00 0.00 C ATOM 1890 CD2 PHE A 122 2.616 2.611 9.652 1.00 0.00 C ATOM 1891 CE1 PHE A 122 4.080 2.213 7.357 1.00 0.00 C ATOM 1892 CE2 PHE A 122 2.046 2.835 8.371 1.00 0.00 C ATOM 1893 CZ PHE A 122 2.790 2.632 7.250 1.00 0.00 C ATOM 0 H PHE A 122 6.329 0.247 9.883 1.00 0.00 H new ATOM 0 HA PHE A 122 4.868 0.247 12.462 1.00 0.00 H new ATOM 0 HB2 PHE A 122 3.811 2.270 11.902 1.00 0.00 H new ATOM 0 HB3 PHE A 122 5.407 2.575 11.245 1.00 0.00 H new ATOM 0 HD1 PHE A 122 5.673 1.655 8.723 1.00 0.00 H new ATOM 0 HD2 PHE A 122 2.026 2.773 10.542 1.00 0.00 H new ATOM 0 HE1 PHE A 122 4.671 2.052 6.468 1.00 0.00 H new ATOM 0 HE2 PHE A 122 1.022 3.167 8.286 1.00 0.00 H new ATOM 0 HZ PHE A 122 2.357 2.803 6.276 1.00 0.00 H new ATOM 1903 N LYS A 123 2.844 -0.755 11.361 1.00 0.00 N ATOM 1904 CA LYS A 123 1.825 -1.619 10.790 1.00 0.00 C ATOM 1905 C LYS A 123 0.540 -0.815 10.579 1.00 0.00 C ATOM 1906 O LYS A 123 0.292 0.162 11.284 1.00 0.00 O ATOM 1907 CB LYS A 123 1.635 -2.866 11.655 1.00 0.00 C ATOM 1908 CG LYS A 123 2.874 -3.763 11.606 1.00 0.00 C ATOM 1909 CD LYS A 123 2.694 -4.999 12.489 1.00 0.00 C ATOM 1910 CE LYS A 123 3.111 -4.706 13.931 1.00 0.00 C ATOM 1911 NZ LYS A 123 3.014 -5.930 14.758 1.00 0.00 N ATOM 0 H LYS A 123 2.653 -0.441 12.313 1.00 0.00 H new ATOM 0 HA LYS A 123 2.138 -1.982 9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 123 1.436 -2.571 12.685 1.00 0.00 H new ATOM 0 HB3 LYS A 123 0.764 -3.423 11.309 1.00 0.00 H new ATOM 0 HG2 LYS A 123 3.063 -4.071 10.578 1.00 0.00 H new ATOM 0 HG3 LYS A 123 3.747 -3.200 11.936 1.00 0.00 H new ATOM 0 HD2 LYS A 123 1.652 -5.319 12.465 1.00 0.00 H new ATOM 0 HD3 LYS A 123 3.289 -5.822 12.094 1.00 0.00 H new ATOM 0 HE2 LYS A 123 4.133 -4.327 13.950 1.00 0.00 H new ATOM 0 HE3 LYS A 123 2.474 -3.926 14.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 3.301 -5.713 15.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 2.033 -6.275 14.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 3.640 -6.663 14.368 1.00 0.00 H new ATOM 1924 N ARG A 124 -0.242 -1.257 9.605 1.00 0.00 N ATOM 1925 CA ARG A 124 -1.496 -0.590 9.293 1.00 0.00 C ATOM 1926 C ARG A 124 -2.667 -1.562 9.451 1.00 0.00 C ATOM 1927 O ARG A 124 -2.575 -2.722 9.051 1.00 0.00 O ATOM 1928 CB ARG A 124 -1.486 -0.042 7.864 1.00 0.00 C ATOM 1929 CG ARG A 124 -1.354 1.482 7.864 1.00 0.00 C ATOM 1930 CD ARG A 124 -2.346 2.118 6.887 1.00 0.00 C ATOM 1931 NE ARG A 124 -1.802 2.069 5.511 1.00 0.00 N ATOM 1932 CZ ARG A 124 -2.197 2.888 4.512 1.00 0.00 C ATOM 1933 NH1 ARG A 124 -3.143 3.826 4.728 1.00 0.00 N ATOM 1934 NH2 ARG A 124 -1.643 2.756 3.321 1.00 0.00 N ATOM 0 H ARG A 124 -0.033 -2.067 9.022 1.00 0.00 H new ATOM 0 HA ARG A 124 -1.613 0.241 9.989 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -0.659 -0.483 7.307 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.404 -0.331 7.353 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -1.531 1.866 8.869 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -0.337 1.763 7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -3.299 1.591 6.929 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -2.540 3.152 7.174 1.00 0.00 H new ATOM 0 HE ARG A 124 -1.085 1.374 5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -3.566 3.921 5.651 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -3.435 4.440 3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -0.929 2.044 3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -1.929 3.366 2.555 1.00 0.00 H new ATOM 1947 N ILE A 125 -3.742 -1.053 10.033 1.00 0.00 N ATOM 1948 CA ILE A 125 -4.930 -1.861 10.249 1.00 0.00 C ATOM 1949 C ILE A 125 -6.129 -1.186 9.580 1.00 0.00 C ATOM 1950 O ILE A 125 -6.293 0.030 9.674 1.00 0.00 O ATOM 1951 CB ILE A 125 -5.130 -2.133 11.741 1.00 0.00 C ATOM 1952 CG1 ILE A 125 -3.911 -2.839 12.338 1.00 0.00 C ATOM 1953 CG2 ILE A 125 -6.423 -2.913 11.988 1.00 0.00 C ATOM 1954 CD1 ILE A 125 -3.451 -2.147 13.623 1.00 0.00 C ATOM 0 H ILE A 125 -3.816 -0.090 10.362 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.814 -2.840 9.784 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.230 -1.176 12.252 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -4.156 -3.880 12.549 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.098 -2.844 11.612 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.541 -3.093 13.057 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.272 -2.336 11.621 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -6.379 -3.867 11.462 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.583 -2.669 14.027 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.183 -1.113 13.404 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.258 -2.165 14.355 1.00 0.00 H new ATOM 1966 N SER A 126 -6.937 -2.004 8.921 1.00 0.00 N ATOM 1967 CA SER A 126 -8.116 -1.500 8.237 1.00 0.00 C ATOM 1968 C SER A 126 -9.238 -2.539 8.296 1.00 0.00 C ATOM 1969 O SER A 126 -9.010 -3.719 8.038 1.00 0.00 O ATOM 1970 CB SER A 126 -7.799 -1.141 6.784 1.00 0.00 C ATOM 1971 OG SER A 126 -7.587 -2.301 5.983 1.00 0.00 O ATOM 0 H SER A 126 -6.798 -3.012 8.846 1.00 0.00 H new ATOM 0 HA SER A 126 -8.444 -0.592 8.743 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.620 -0.557 6.367 1.00 0.00 H new ATOM 0 HB3 SER A 126 -6.911 -0.510 6.752 1.00 0.00 H new ATOM 0 HG SER A 126 -7.389 -2.031 5.062 1.00 0.00 H new ATOM 1977 N LYS A 127 -10.426 -2.061 8.637 1.00 0.00 N ATOM 1978 CA LYS A 127 -11.584 -2.933 8.732 1.00 0.00 C ATOM 1979 C LYS A 127 -12.417 -2.811 7.455 1.00 0.00 C ATOM 1980 O LYS A 127 -12.257 -1.856 6.695 1.00 0.00 O ATOM 1981 CB LYS A 127 -12.373 -2.639 10.011 1.00 0.00 C ATOM 1982 CG LYS A 127 -13.157 -3.871 10.466 1.00 0.00 C ATOM 1983 CD LYS A 127 -13.659 -3.701 11.902 1.00 0.00 C ATOM 1984 CE LYS A 127 -14.826 -2.713 11.960 1.00 0.00 C ATOM 1985 NZ LYS A 127 -15.470 -2.750 13.293 1.00 0.00 N ATOM 0 H LYS A 127 -10.611 -1.081 8.851 1.00 0.00 H new ATOM 0 HA LYS A 127 -11.270 -3.974 8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -11.690 -2.326 10.800 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -13.059 -1.810 9.837 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -14.003 -4.036 9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.523 -4.755 10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -13.975 -4.666 12.298 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.846 -3.347 12.536 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -14.468 -1.705 11.750 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -15.557 -2.958 11.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -16.260 -2.074 13.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -15.829 -3.708 13.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -14.774 -2.494 14.022 1.00 0.00 H new ATOM 1998 N ARG A 128 -13.287 -3.790 7.257 1.00 0.00 N ATOM 1999 CA ARG A 128 -14.144 -3.803 6.084 1.00 0.00 C ATOM 2000 C ARG A 128 -15.285 -2.797 6.249 1.00 0.00 C ATOM 2001 O ARG A 128 -16.270 -3.076 6.930 1.00 0.00 O ATOM 2002 CB ARG A 128 -14.733 -5.196 5.848 1.00 0.00 C ATOM 2003 CG ARG A 128 -15.612 -5.215 4.596 1.00 0.00 C ATOM 2004 CD ARG A 128 -15.823 -6.646 4.096 1.00 0.00 C ATOM 2005 NE ARG A 128 -15.628 -6.703 2.631 1.00 0.00 N ATOM 2006 CZ ARG A 128 -15.359 -7.836 1.947 1.00 0.00 C ATOM 2007 NH1 ARG A 128 -15.250 -9.016 2.593 1.00 0.00 N ATOM 2008 NH2 ARG A 128 -15.204 -7.772 0.638 1.00 0.00 N ATOM 0 H ARG A 128 -13.417 -4.580 7.889 1.00 0.00 H new ATOM 0 HA ARG A 128 -13.533 -3.528 5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -13.927 -5.922 5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -15.322 -5.497 6.714 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -16.576 -4.757 4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -15.148 -4.617 3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -15.124 -7.320 4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -16.827 -6.985 4.351 1.00 0.00 H new ATOM 0 HE ARG A 128 -15.701 -5.832 2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -15.371 -9.056 3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -15.047 -9.867 2.069 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -15.288 -6.876 0.158 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -15.000 -8.618 0.107 1.00 0.00 H new ATOM 2021 N ILE A 129 -15.113 -1.647 5.613 1.00 0.00 N ATOM 2022 CA ILE A 129 -16.116 -0.597 5.680 1.00 0.00 C ATOM 2023 C ILE A 129 -16.638 -0.488 7.114 1.00 0.00 C ATOM 2024 O ILE A 129 -15.885 -0.165 8.030 1.00 0.00 O ATOM 2025 CB ILE A 129 -17.213 -0.838 4.642 1.00 0.00 C ATOM 2026 CG1 ILE A 129 -16.670 -0.672 3.222 1.00 0.00 C ATOM 2027 CG2 ILE A 129 -18.422 0.064 4.903 1.00 0.00 C ATOM 2028 CD1 ILE A 129 -17.514 -1.458 2.216 1.00 0.00 C ATOM 0 H ILE A 129 -14.294 -1.419 5.049 1.00 0.00 H new ATOM 0 HA ILE A 129 -15.676 0.368 5.427 1.00 0.00 H new ATOM 0 HB ILE A 129 -17.554 -1.869 4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -16.666 0.384 2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -15.636 -1.016 3.182 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -19.188 -0.127 4.151 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -18.826 -0.146 5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -18.115 1.108 4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -17.106 -1.323 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -17.496 -2.517 2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -18.542 -1.095 2.241 1.00 0.00 H new