USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= 0.247 USER MOD Set 2.2: A 71 ASN : amide:sc= 0.382 K(o=0.63,f=-2.4!) USER MOD Set 3.1: A 14 GLN : amide:sc= 0.903 K(o=1.9,f=-3.4) USER MOD Set 3.2: A 37 LYS NZ :NH3+ 163:sc= 1.04 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 156:sc= 0.354 (180deg=0.148) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0.677 K(o=0.68,f=-2.3!) USER MOD Single : A 4 MET CE :methyl 177:sc= -0.145 (180deg=-0.148) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot -176:sc= -0.191 USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= 0.0478 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 12 GLN : amide:sc= -0.0177 K(o=-0.018,f=-3.8!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00097) USER MOD Single : A 25 THR OG1 : rot 141:sc= 0.139 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.21) USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= 0.177 (180deg=0.104) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 1.14 (180deg=1.08) USER MOD Single : A 47 GLN : amide:sc= -0.676 K(o=-0.68,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 0.755 (180deg=0.699) USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= 1.27 (180deg=1.08) USER MOD Single : A 65 TYR OH : rot -141:sc= -0.0326 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= 1.22 (180deg=0.933) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 52:sc= 0.0478 USER MOD Single : A 79 LYS NZ :NH3+ 172:sc= 1.1 (180deg=1.05) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.410 -12.058 -2.435 1.00 10.00 N ATOM 2 CA GLY A 1 -12.348 -13.527 -2.264 1.00 10.00 C ATOM 3 C GLY A 1 -11.091 -13.931 -1.513 1.00 10.00 C ATOM 4 O GLY A 1 -10.749 -13.308 -0.507 1.00 10.00 O ATOM 0 H1 GLY A 1 -13.007 -11.829 -3.255 1.00 10.00 H new ATOM 0 H2 GLY A 1 -12.815 -11.626 -1.580 1.00 10.00 H new ATOM 0 H3 GLY A 1 -11.451 -11.686 -2.590 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -13.228 -13.872 -1.721 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -12.366 -14.012 -3.240 1.00 10.00 H new ATOM 10 N SER A 2 -10.366 -14.942 -2.007 1.00 10.00 N ATOM 11 CA SER A 2 -9.058 -15.371 -1.463 1.00 10.00 C ATOM 12 C SER A 2 -7.981 -14.275 -1.521 1.00 10.00 C ATOM 13 O SER A 2 -7.050 -14.269 -0.715 1.00 10.00 O ATOM 14 CB SER A 2 -8.547 -16.607 -2.215 1.00 10.00 C ATOM 15 OG SER A 2 -9.519 -17.644 -2.194 1.00 10.00 O ATOM 0 H SER A 2 -10.670 -15.497 -2.807 1.00 10.00 H new ATOM 0 HA SER A 2 -9.234 -15.602 -0.412 1.00 10.00 H new ATOM 0 HB2 SER A 2 -8.314 -16.341 -3.246 1.00 10.00 H new ATOM 0 HB3 SER A 2 -7.622 -16.960 -1.759 1.00 10.00 H new ATOM 0 HG SER A 2 -9.177 -18.423 -2.680 1.00 10.00 H new ATOM 21 N HIS A 3 -8.129 -13.314 -2.437 1.00 10.00 N ATOM 22 CA HIS A 3 -7.359 -12.068 -2.526 1.00 10.00 C ATOM 23 C HIS A 3 -8.315 -10.862 -2.626 1.00 10.00 C ATOM 24 O HIS A 3 -9.512 -11.016 -2.902 1.00 10.00 O ATOM 25 CB HIS A 3 -6.406 -12.122 -3.735 1.00 10.00 C ATOM 26 CG HIS A 3 -5.258 -13.105 -3.646 1.00 10.00 C ATOM 27 ND1 HIS A 3 -4.903 -13.899 -2.574 1.00 10.00 N ATOM 28 CD2 HIS A 3 -4.341 -13.349 -4.634 1.00 10.00 C ATOM 29 CE1 HIS A 3 -3.808 -14.601 -2.908 1.00 10.00 C ATOM 30 NE2 HIS A 3 -3.425 -14.302 -4.162 1.00 10.00 N ATOM 0 H HIS A 3 -8.827 -13.387 -3.177 1.00 10.00 H new ATOM 0 HA HIS A 3 -6.758 -11.951 -1.624 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -6.993 -12.362 -4.622 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -5.991 -11.126 -3.887 1.00 10.00 H new ATOM 0 HD1 HIS A 3 -5.390 -13.945 -1.679 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -4.326 -12.887 -5.610 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -3.306 -15.306 -2.261 1.00 10.00 H new ATOM 38 N MET A 4 -7.773 -9.659 -2.436 1.00 10.00 N ATOM 39 CA MET A 4 -8.432 -8.368 -2.671 1.00 10.00 C ATOM 40 C MET A 4 -7.486 -7.417 -3.416 1.00 10.00 C ATOM 41 O MET A 4 -6.266 -7.561 -3.330 1.00 10.00 O ATOM 42 CB MET A 4 -8.914 -7.754 -1.343 1.00 10.00 C ATOM 43 CG MET A 4 -7.778 -7.334 -0.395 1.00 10.00 C ATOM 44 SD MET A 4 -8.319 -6.484 1.117 1.00 10.00 S ATOM 45 CE MET A 4 -8.875 -4.894 0.446 1.00 10.00 C ATOM 0 H MET A 4 -6.817 -9.550 -2.098 1.00 10.00 H new ATOM 0 HA MET A 4 -9.310 -8.530 -3.297 1.00 10.00 H new ATOM 0 HB2 MET A 4 -9.531 -6.882 -1.561 1.00 10.00 H new ATOM 0 HB3 MET A 4 -9.551 -8.476 -0.832 1.00 10.00 H new ATOM 0 HG2 MET A 4 -7.213 -8.222 -0.113 1.00 10.00 H new ATOM 0 HG3 MET A 4 -7.095 -6.680 -0.937 1.00 10.00 H new ATOM 0 HE1 MET A 4 -9.285 -4.283 1.250 1.00 10.00 H new ATOM 0 HE2 MET A 4 -8.031 -4.376 -0.009 1.00 10.00 H new ATOM 0 HE3 MET A 4 -9.644 -5.066 -0.307 1.00 10.00 H new ATOM 55 N GLN A 5 -8.043 -6.431 -4.123 1.00 10.00 N ATOM 56 CA GLN A 5 -7.309 -5.507 -4.993 1.00 10.00 C ATOM 57 C GLN A 5 -7.402 -4.067 -4.463 1.00 10.00 C ATOM 58 O GLN A 5 -8.448 -3.659 -3.955 1.00 10.00 O ATOM 59 CB GLN A 5 -7.882 -5.650 -6.415 1.00 10.00 C ATOM 60 CG GLN A 5 -7.194 -4.769 -7.468 1.00 10.00 C ATOM 61 CD GLN A 5 -7.820 -4.951 -8.849 1.00 10.00 C ATOM 62 OE1 GLN A 5 -7.545 -5.904 -9.568 1.00 10.00 O ATOM 63 NE2 GLN A 5 -8.683 -4.054 -9.279 1.00 10.00 N ATOM 0 H GLN A 5 -9.046 -6.248 -4.106 1.00 10.00 H new ATOM 0 HA GLN A 5 -6.247 -5.750 -5.010 1.00 10.00 H new ATOM 0 HB2 GLN A 5 -7.802 -6.693 -6.723 1.00 10.00 H new ATOM 0 HB3 GLN A 5 -8.944 -5.405 -6.392 1.00 10.00 H new ATOM 0 HG2 GLN A 5 -7.265 -3.723 -7.171 1.00 10.00 H new ATOM 0 HG3 GLN A 5 -6.133 -5.016 -7.513 1.00 10.00 H new ATOM 0 HE21 GLN A 5 -8.923 -3.255 -8.692 1.00 10.00 H new ATOM 0 HE22 GLN A 5 -9.112 -4.159 -10.199 1.00 10.00 H new ATOM 72 N VAL A 6 -6.321 -3.290 -4.597 1.00 10.00 N ATOM 73 CA VAL A 6 -6.229 -1.905 -4.102 1.00 10.00 C ATOM 74 C VAL A 6 -5.618 -0.992 -5.179 1.00 10.00 C ATOM 75 O VAL A 6 -4.821 -1.434 -6.009 1.00 10.00 O ATOM 76 CB VAL A 6 -5.439 -1.852 -2.770 1.00 10.00 C ATOM 77 CG1 VAL A 6 -5.497 -0.463 -2.124 1.00 10.00 C ATOM 78 CG2 VAL A 6 -5.987 -2.832 -1.715 1.00 10.00 C ATOM 0 H VAL A 6 -5.469 -3.608 -5.060 1.00 10.00 H new ATOM 0 HA VAL A 6 -7.232 -1.534 -3.892 1.00 10.00 H new ATOM 0 HB VAL A 6 -4.419 -2.118 -3.048 1.00 10.00 H new ATOM 0 HG11 VAL A 6 -4.930 -0.471 -1.193 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -5.068 0.273 -2.804 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -6.534 -0.202 -1.915 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -5.396 -2.752 -0.803 1.00 10.00 H new ATOM 0 HG22 VAL A 6 -7.027 -2.588 -1.497 1.00 10.00 H new ATOM 0 HG23 VAL A 6 -5.927 -3.851 -2.098 1.00 10.00 H new ATOM 88 N THR A 7 -6.002 0.287 -5.175 1.00 10.00 N ATOM 89 CA THR A 7 -5.489 1.328 -6.084 1.00 10.00 C ATOM 90 C THR A 7 -4.523 2.238 -5.324 1.00 10.00 C ATOM 91 O THR A 7 -4.891 2.755 -4.270 1.00 10.00 O ATOM 92 CB THR A 7 -6.654 2.167 -6.636 1.00 10.00 C ATOM 93 OG1 THR A 7 -7.574 1.347 -7.322 1.00 10.00 O ATOM 94 CG2 THR A 7 -6.190 3.234 -7.623 1.00 10.00 C ATOM 0 H THR A 7 -6.699 0.643 -4.521 1.00 10.00 H new ATOM 0 HA THR A 7 -4.968 0.850 -6.914 1.00 10.00 H new ATOM 0 HB THR A 7 -7.112 2.645 -5.770 1.00 10.00 H new ATOM 0 HG1 THR A 7 -8.276 1.904 -7.720 1.00 10.00 H new ATOM 0 HG21 THR A 7 -7.052 3.797 -7.982 1.00 10.00 H new ATOM 0 HG22 THR A 7 -5.495 3.911 -7.127 1.00 10.00 H new ATOM 0 HG23 THR A 7 -5.691 2.757 -8.467 1.00 10.00 H new ATOM 102 N LEU A 8 -3.302 2.449 -5.825 1.00 10.00 N ATOM 103 CA LEU A 8 -2.225 3.157 -5.113 1.00 10.00 C ATOM 104 C LEU A 8 -1.737 4.385 -5.882 1.00 10.00 C ATOM 105 O LEU A 8 -1.300 4.241 -7.024 1.00 10.00 O ATOM 106 CB LEU A 8 -1.014 2.234 -4.883 1.00 10.00 C ATOM 107 CG LEU A 8 -1.278 0.878 -4.217 1.00 10.00 C ATOM 108 CD1 LEU A 8 0.055 0.314 -3.735 1.00 10.00 C ATOM 109 CD2 LEU A 8 -2.145 0.980 -2.970 1.00 10.00 C ATOM 0 H LEU A 8 -3.026 2.128 -6.753 1.00 10.00 H new ATOM 0 HA LEU A 8 -2.651 3.472 -4.160 1.00 10.00 H new ATOM 0 HB2 LEU A 8 -0.543 2.049 -5.848 1.00 10.00 H new ATOM 0 HB3 LEU A 8 -0.290 2.774 -4.273 1.00 10.00 H new ATOM 0 HG LEU A 8 -1.783 0.261 -4.960 1.00 10.00 H new ATOM 0 HD11 LEU A 8 -0.110 -0.652 -3.257 1.00 10.00 H new ATOM 0 HD12 LEU A 8 0.726 0.189 -4.585 1.00 10.00 H new ATOM 0 HD13 LEU A 8 0.503 1.002 -3.018 1.00 10.00 H new ATOM 0 HD21 LEU A 8 -2.293 -0.014 -2.548 1.00 10.00 H new ATOM 0 HD22 LEU A 8 -1.652 1.617 -2.235 1.00 10.00 H new ATOM 0 HD23 LEU A 8 -3.111 1.411 -3.233 1.00 10.00 H new ATOM 121 N LYS A 9 -1.741 5.560 -5.244 1.00 10.00 N ATOM 122 CA LYS A 9 -1.168 6.815 -5.763 1.00 10.00 C ATOM 123 C LYS A 9 0.214 7.086 -5.169 1.00 10.00 C ATOM 124 O LYS A 9 0.444 6.840 -3.983 1.00 10.00 O ATOM 125 CB LYS A 9 -2.078 8.013 -5.437 1.00 10.00 C ATOM 126 CG LYS A 9 -3.386 7.975 -6.230 1.00 10.00 C ATOM 127 CD LYS A 9 -4.103 9.328 -6.233 1.00 10.00 C ATOM 128 CE LYS A 9 -5.425 9.195 -6.999 1.00 10.00 C ATOM 129 NZ LYS A 9 -6.114 10.504 -7.140 1.00 10.00 N ATOM 0 H LYS A 9 -2.157 5.672 -4.319 1.00 10.00 H new ATOM 0 HA LYS A 9 -1.082 6.697 -6.843 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -2.301 8.018 -4.370 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -1.548 8.940 -5.656 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -3.177 7.675 -7.257 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -4.045 7.218 -5.804 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -4.292 9.655 -5.211 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -3.473 10.086 -6.699 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -5.232 8.777 -7.987 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -6.078 8.494 -6.478 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -6.709 10.493 -7.993 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -6.709 10.675 -6.304 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -5.406 11.262 -7.222 1.00 10.00 H new ATOM 143 N THR A 10 1.109 7.654 -5.974 1.00 10.00 N ATOM 144 CA THR A 10 2.488 7.999 -5.592 1.00 10.00 C ATOM 145 C THR A 10 2.676 9.505 -5.365 1.00 10.00 C ATOM 146 O THR A 10 1.894 10.330 -5.850 1.00 10.00 O ATOM 147 CB THR A 10 3.478 7.543 -6.678 1.00 10.00 C ATOM 148 OG1 THR A 10 3.261 8.257 -7.875 1.00 10.00 O ATOM 149 CG2 THR A 10 3.386 6.052 -6.996 1.00 10.00 C ATOM 0 H THR A 10 0.894 7.897 -6.941 1.00 10.00 H new ATOM 0 HA THR A 10 2.684 7.481 -4.653 1.00 10.00 H new ATOM 0 HB THR A 10 4.469 7.744 -6.272 1.00 10.00 H new ATOM 0 HG1 THR A 10 3.899 7.957 -8.555 1.00 10.00 H new ATOM 0 HG21 THR A 10 4.111 5.799 -7.769 1.00 10.00 H new ATOM 0 HG22 THR A 10 3.599 5.474 -6.096 1.00 10.00 H new ATOM 0 HG23 THR A 10 2.382 5.817 -7.349 1.00 10.00 H new ATOM 157 N LEU A 11 3.764 9.886 -4.682 1.00 10.00 N ATOM 158 CA LEU A 11 4.220 11.285 -4.592 1.00 10.00 C ATOM 159 C LEU A 11 4.567 11.885 -5.970 1.00 10.00 C ATOM 160 O LEU A 11 4.457 13.096 -6.173 1.00 10.00 O ATOM 161 CB LEU A 11 5.445 11.374 -3.659 1.00 10.00 C ATOM 162 CG LEU A 11 5.198 10.973 -2.192 1.00 10.00 C ATOM 163 CD1 LEU A 11 6.508 11.101 -1.413 1.00 10.00 C ATOM 164 CD2 LEU A 11 4.145 11.851 -1.511 1.00 10.00 C ATOM 0 H LEU A 11 4.357 9.231 -4.173 1.00 10.00 H new ATOM 0 HA LEU A 11 3.394 11.869 -4.186 1.00 10.00 H new ATOM 0 HB2 LEU A 11 6.233 10.738 -4.063 1.00 10.00 H new ATOM 0 HB3 LEU A 11 5.820 12.397 -3.679 1.00 10.00 H new ATOM 0 HG LEU A 11 4.830 9.947 -2.194 1.00 10.00 H new ATOM 0 HD11 LEU A 11 6.342 10.819 -0.373 1.00 10.00 H new ATOM 0 HD12 LEU A 11 7.258 10.443 -1.852 1.00 10.00 H new ATOM 0 HD13 LEU A 11 6.859 12.132 -1.458 1.00 10.00 H new ATOM 0 HD21 LEU A 11 4.011 11.524 -0.480 1.00 10.00 H new ATOM 0 HD22 LEU A 11 4.475 12.890 -1.523 1.00 10.00 H new ATOM 0 HD23 LEU A 11 3.199 11.765 -2.045 1.00 10.00 H new ATOM 176 N GLN A 12 4.946 11.035 -6.929 1.00 10.00 N ATOM 177 CA GLN A 12 5.234 11.373 -8.327 1.00 10.00 C ATOM 178 C GLN A 12 3.960 11.528 -9.194 1.00 10.00 C ATOM 179 O GLN A 12 4.064 11.696 -10.412 1.00 10.00 O ATOM 180 CB GLN A 12 6.185 10.317 -8.928 1.00 10.00 C ATOM 181 CG GLN A 12 7.573 10.228 -8.255 1.00 10.00 C ATOM 182 CD GLN A 12 7.616 9.521 -6.896 1.00 10.00 C ATOM 183 OE1 GLN A 12 6.703 8.823 -6.473 1.00 10.00 O ATOM 184 NE2 GLN A 12 8.682 9.680 -6.142 1.00 10.00 N ATOM 0 H GLN A 12 5.067 10.040 -6.741 1.00 10.00 H new ATOM 0 HA GLN A 12 5.717 12.350 -8.332 1.00 10.00 H new ATOM 0 HB2 GLN A 12 5.705 9.340 -8.866 1.00 10.00 H new ATOM 0 HB3 GLN A 12 6.325 10.537 -9.986 1.00 10.00 H new ATOM 0 HG2 GLN A 12 8.251 9.710 -8.933 1.00 10.00 H new ATOM 0 HG3 GLN A 12 7.959 11.239 -8.129 1.00 10.00 H new ATOM 0 HE21 GLN A 12 9.457 10.256 -6.470 1.00 10.00 H new ATOM 0 HE22 GLN A 12 8.733 9.227 -5.230 1.00 10.00 H new ATOM 193 N GLN A 13 2.764 11.511 -8.588 1.00 10.00 N ATOM 194 CA GLN A 13 1.465 11.764 -9.234 1.00 10.00 C ATOM 195 C GLN A 13 1.119 10.725 -10.324 1.00 10.00 C ATOM 196 O GLN A 13 0.659 11.063 -11.420 1.00 10.00 O ATOM 197 CB GLN A 13 1.365 13.229 -9.713 1.00 10.00 C ATOM 198 CG GLN A 13 1.606 14.263 -8.599 1.00 10.00 C ATOM 199 CD GLN A 13 1.752 15.670 -9.172 1.00 10.00 C ATOM 200 OE1 GLN A 13 0.828 16.476 -9.178 1.00 10.00 O ATOM 201 NE2 GLN A 13 2.916 16.018 -9.683 1.00 10.00 N ATOM 0 H GLN A 13 2.670 11.312 -7.592 1.00 10.00 H new ATOM 0 HA GLN A 13 0.690 11.628 -8.480 1.00 10.00 H new ATOM 0 HB2 GLN A 13 2.090 13.391 -10.510 1.00 10.00 H new ATOM 0 HB3 GLN A 13 0.377 13.395 -10.143 1.00 10.00 H new ATOM 0 HG2 GLN A 13 0.776 14.240 -7.892 1.00 10.00 H new ATOM 0 HG3 GLN A 13 2.506 13.999 -8.043 1.00 10.00 H new ATOM 0 HE21 GLN A 13 3.691 15.355 -9.683 1.00 10.00 H new ATOM 0 HE22 GLN A 13 3.041 16.950 -10.078 1.00 10.00 H new ATOM 210 N GLN A 14 1.335 9.444 -10.013 1.00 10.00 N ATOM 211 CA GLN A 14 1.025 8.279 -10.838 1.00 10.00 C ATOM 212 C GLN A 14 0.163 7.314 -10.006 1.00 10.00 C ATOM 213 O GLN A 14 0.264 7.307 -8.776 1.00 10.00 O ATOM 214 CB GLN A 14 2.361 7.646 -11.271 1.00 10.00 C ATOM 215 CG GLN A 14 2.203 6.463 -12.232 1.00 10.00 C ATOM 216 CD GLN A 14 3.553 5.878 -12.638 1.00 10.00 C ATOM 217 OE1 GLN A 14 4.056 4.933 -12.041 1.00 10.00 O ATOM 218 NE2 GLN A 14 4.196 6.402 -13.662 1.00 10.00 N ATOM 0 H GLN A 14 1.757 9.179 -9.123 1.00 10.00 H new ATOM 0 HA GLN A 14 0.461 8.540 -11.733 1.00 10.00 H new ATOM 0 HB2 GLN A 14 2.976 8.409 -11.747 1.00 10.00 H new ATOM 0 HB3 GLN A 14 2.898 7.312 -10.384 1.00 10.00 H new ATOM 0 HG2 GLN A 14 1.599 5.689 -11.759 1.00 10.00 H new ATOM 0 HG3 GLN A 14 1.665 6.788 -13.123 1.00 10.00 H new ATOM 0 HE21 GLN A 14 3.791 7.189 -14.170 1.00 10.00 H new ATOM 0 HE22 GLN A 14 5.098 6.021 -13.947 1.00 10.00 H new ATOM 227 N THR A 15 -0.668 6.490 -10.655 1.00 10.00 N ATOM 228 CA THR A 15 -1.560 5.541 -9.965 1.00 10.00 C ATOM 229 C THR A 15 -1.480 4.139 -10.579 1.00 10.00 C ATOM 230 O THR A 15 -1.383 4.001 -11.800 1.00 10.00 O ATOM 231 CB THR A 15 -3.027 6.024 -9.943 1.00 10.00 C ATOM 232 OG1 THR A 15 -3.139 7.430 -9.830 1.00 10.00 O ATOM 233 CG2 THR A 15 -3.795 5.433 -8.758 1.00 10.00 C ATOM 0 H THR A 15 -0.744 6.460 -11.672 1.00 10.00 H new ATOM 0 HA THR A 15 -1.208 5.491 -8.935 1.00 10.00 H new ATOM 0 HB THR A 15 -3.444 5.690 -10.893 1.00 10.00 H new ATOM 0 HG1 THR A 15 -4.086 7.683 -9.822 1.00 10.00 H new ATOM 0 HG21 THR A 15 -4.823 5.794 -8.774 1.00 10.00 H new ATOM 0 HG22 THR A 15 -3.791 4.345 -8.828 1.00 10.00 H new ATOM 0 HG23 THR A 15 -3.318 5.738 -7.827 1.00 10.00 H new ATOM 241 N PHE A 16 -1.532 3.096 -9.743 1.00 10.00 N ATOM 242 CA PHE A 16 -1.462 1.685 -10.147 1.00 10.00 C ATOM 243 C PHE A 16 -2.394 0.786 -9.323 1.00 10.00 C ATOM 244 O PHE A 16 -3.015 1.231 -8.358 1.00 10.00 O ATOM 245 CB PHE A 16 -0.005 1.185 -10.136 1.00 10.00 C ATOM 246 CG PHE A 16 0.716 1.189 -8.800 1.00 10.00 C ATOM 247 CD1 PHE A 16 1.338 2.373 -8.357 1.00 10.00 C ATOM 248 CD2 PHE A 16 0.850 0.005 -8.039 1.00 10.00 C ATOM 249 CE1 PHE A 16 2.112 2.375 -7.183 1.00 10.00 C ATOM 250 CE2 PHE A 16 1.669 0.002 -6.903 1.00 10.00 C ATOM 251 CZ PHE A 16 2.299 1.181 -6.470 1.00 10.00 C ATOM 0 H PHE A 16 -1.627 3.213 -8.734 1.00 10.00 H new ATOM 0 HA PHE A 16 -1.826 1.622 -11.172 1.00 10.00 H new ATOM 0 HB2 PHE A 16 0.006 0.166 -10.524 1.00 10.00 H new ATOM 0 HB3 PHE A 16 0.568 1.797 -10.832 1.00 10.00 H new ATOM 0 HD1 PHE A 16 1.220 3.285 -8.923 1.00 10.00 H new ATOM 0 HD2 PHE A 16 0.324 -0.892 -8.332 1.00 10.00 H new ATOM 0 HE1 PHE A 16 2.561 3.292 -6.831 1.00 10.00 H new ATOM 0 HE2 PHE A 16 1.818 -0.916 -6.354 1.00 10.00 H new ATOM 0 HZ PHE A 16 2.926 1.168 -5.590 1.00 10.00 H new ATOM 261 N LYS A 17 -2.526 -0.475 -9.742 1.00 10.00 N ATOM 262 CA LYS A 17 -3.485 -1.472 -9.247 1.00 10.00 C ATOM 263 C LYS A 17 -2.736 -2.760 -8.905 1.00 10.00 C ATOM 264 O LYS A 17 -2.027 -3.306 -9.753 1.00 10.00 O ATOM 265 CB LYS A 17 -4.541 -1.781 -10.333 1.00 10.00 C ATOM 266 CG LYS A 17 -5.306 -0.586 -10.923 1.00 10.00 C ATOM 267 CD LYS A 17 -6.201 0.107 -9.890 1.00 10.00 C ATOM 268 CE LYS A 17 -6.996 1.276 -10.495 1.00 10.00 C ATOM 269 NZ LYS A 17 -8.071 0.823 -11.417 1.00 10.00 N ATOM 0 H LYS A 17 -1.932 -0.852 -10.480 1.00 10.00 H new ATOM 0 HA LYS A 17 -3.984 -1.077 -8.362 1.00 10.00 H new ATOM 0 HB2 LYS A 17 -4.043 -2.302 -11.151 1.00 10.00 H new ATOM 0 HB3 LYS A 17 -5.269 -2.474 -9.910 1.00 10.00 H new ATOM 0 HG2 LYS A 17 -4.594 0.135 -11.323 1.00 10.00 H new ATOM 0 HG3 LYS A 17 -5.918 -0.927 -11.758 1.00 10.00 H new ATOM 0 HD2 LYS A 17 -6.894 -0.620 -9.467 1.00 10.00 H new ATOM 0 HD3 LYS A 17 -5.586 0.476 -9.069 1.00 10.00 H new ATOM 0 HE2 LYS A 17 -7.437 1.865 -9.691 1.00 10.00 H new ATOM 0 HE3 LYS A 17 -6.314 1.933 -11.034 1.00 10.00 H new ATOM 0 HZ1 LYS A 17 -8.586 1.649 -11.783 1.00 10.00 H new ATOM 0 HZ2 LYS A 17 -7.650 0.298 -12.210 1.00 10.00 H new ATOM 0 HZ3 LYS A 17 -8.730 0.204 -10.904 1.00 10.00 H new ATOM 283 N ILE A 18 -2.890 -3.238 -7.674 1.00 10.00 N ATOM 284 CA ILE A 18 -2.248 -4.452 -7.152 1.00 10.00 C ATOM 285 C ILE A 18 -3.201 -5.260 -6.261 1.00 10.00 C ATOM 286 O ILE A 18 -4.237 -4.752 -5.842 1.00 10.00 O ATOM 287 CB ILE A 18 -0.939 -4.104 -6.407 1.00 10.00 C ATOM 288 CG1 ILE A 18 -0.894 -2.786 -5.608 1.00 10.00 C ATOM 289 CG2 ILE A 18 0.245 -4.110 -7.390 1.00 10.00 C ATOM 290 CD1 ILE A 18 -1.961 -2.745 -4.519 1.00 10.00 C ATOM 0 H ILE A 18 -3.485 -2.779 -6.984 1.00 10.00 H new ATOM 0 HA ILE A 18 -1.994 -5.084 -8.003 1.00 10.00 H new ATOM 0 HB ILE A 18 -0.879 -4.888 -5.652 1.00 10.00 H new ATOM 0 HG12 ILE A 18 0.091 -2.669 -5.156 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -1.035 -1.945 -6.287 1.00 10.00 H new ATOM 0 HG21 ILE A 18 1.163 -3.864 -6.856 1.00 10.00 H new ATOM 0 HG22 ILE A 18 0.340 -5.099 -7.839 1.00 10.00 H new ATOM 0 HG23 ILE A 18 0.072 -3.372 -8.173 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -1.895 -1.800 -3.980 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -2.948 -2.835 -4.973 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -1.804 -3.570 -3.825 1.00 10.00 H new ATOM 302 N ASP A 19 -2.861 -6.513 -5.956 1.00 10.00 N ATOM 303 CA ASP A 19 -3.698 -7.434 -5.179 1.00 10.00 C ATOM 304 C ASP A 19 -2.867 -8.286 -4.204 1.00 10.00 C ATOM 305 O ASP A 19 -1.734 -8.666 -4.514 1.00 10.00 O ATOM 306 CB ASP A 19 -4.549 -8.301 -6.124 1.00 10.00 C ATOM 307 CG ASP A 19 -3.720 -9.291 -6.965 1.00 10.00 C ATOM 308 OD1 ASP A 19 -3.098 -8.873 -7.971 1.00 10.00 O ATOM 309 OD2 ASP A 19 -3.723 -10.503 -6.644 1.00 10.00 O ATOM 0 H ASP A 19 -1.976 -6.927 -6.248 1.00 10.00 H new ATOM 0 HA ASP A 19 -4.373 -6.842 -4.562 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -5.278 -8.858 -5.535 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -5.111 -7.650 -6.794 1.00 10.00 H new ATOM 314 N ILE A 20 -3.419 -8.529 -3.011 1.00 10.00 N ATOM 315 CA ILE A 20 -2.846 -9.336 -1.913 1.00 10.00 C ATOM 316 C ILE A 20 -3.962 -10.076 -1.141 1.00 10.00 C ATOM 317 O ILE A 20 -5.147 -9.796 -1.327 1.00 10.00 O ATOM 318 CB ILE A 20 -1.957 -8.487 -0.956 1.00 10.00 C ATOM 319 CG1 ILE A 20 -2.712 -7.510 -0.024 1.00 10.00 C ATOM 320 CG2 ILE A 20 -0.807 -7.767 -1.692 1.00 10.00 C ATOM 321 CD1 ILE A 20 -3.645 -6.495 -0.695 1.00 10.00 C ATOM 0 H ILE A 20 -4.332 -8.148 -2.765 1.00 10.00 H new ATOM 0 HA ILE A 20 -2.190 -10.081 -2.364 1.00 10.00 H new ATOM 0 HB ILE A 20 -1.531 -9.239 -0.292 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -3.300 -8.099 0.680 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -1.974 -6.959 0.560 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -0.221 -7.191 -0.976 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -0.166 -8.504 -2.175 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -1.221 -7.096 -2.445 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -4.112 -5.871 0.067 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -3.070 -5.867 -1.376 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -4.417 -7.024 -1.254 1.00 10.00 H new ATOM 333 N ASP A 21 -3.613 -11.005 -0.247 1.00 10.00 N ATOM 334 CA ASP A 21 -4.572 -11.656 0.665 1.00 10.00 C ATOM 335 C ASP A 21 -5.222 -10.641 1.643 1.00 10.00 C ATOM 336 O ASP A 21 -4.495 -9.879 2.290 1.00 10.00 O ATOM 337 CB ASP A 21 -3.854 -12.748 1.472 1.00 10.00 C ATOM 338 CG ASP A 21 -3.285 -13.876 0.597 1.00 10.00 C ATOM 339 OD1 ASP A 21 -2.132 -13.750 0.118 1.00 10.00 O ATOM 340 OD2 ASP A 21 -3.977 -14.904 0.408 1.00 10.00 O ATOM 0 H ASP A 21 -2.654 -11.332 -0.131 1.00 10.00 H new ATOM 0 HA ASP A 21 -5.364 -12.092 0.056 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -3.042 -12.295 2.041 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -4.551 -13.174 2.194 1.00 10.00 H new ATOM 345 N PRO A 22 -6.561 -10.633 1.835 1.00 10.00 N ATOM 346 CA PRO A 22 -7.237 -9.697 2.745 1.00 10.00 C ATOM 347 C PRO A 22 -6.910 -9.954 4.227 1.00 10.00 C ATOM 348 O PRO A 22 -6.920 -9.032 5.044 1.00 10.00 O ATOM 349 CB PRO A 22 -8.734 -9.876 2.469 1.00 10.00 C ATOM 350 CG PRO A 22 -8.843 -11.313 1.970 1.00 10.00 C ATOM 351 CD PRO A 22 -7.536 -11.511 1.204 1.00 10.00 C ATOM 0 HA PRO A 22 -6.900 -8.677 2.563 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -9.328 -9.719 3.369 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -9.091 -9.166 1.723 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -8.939 -12.020 2.794 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -9.712 -11.452 1.327 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -7.211 -12.551 1.250 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -7.660 -11.262 0.150 1.00 10.00 H new ATOM 359 N GLU A 23 -6.602 -11.209 4.564 1.00 10.00 N ATOM 360 CA GLU A 23 -6.189 -11.672 5.894 1.00 10.00 C ATOM 361 C GLU A 23 -4.721 -11.349 6.242 1.00 10.00 C ATOM 362 O GLU A 23 -4.318 -11.534 7.391 1.00 10.00 O ATOM 363 CB GLU A 23 -6.391 -13.198 5.978 1.00 10.00 C ATOM 364 CG GLU A 23 -7.841 -13.671 5.795 1.00 10.00 C ATOM 365 CD GLU A 23 -8.754 -13.147 6.914 1.00 10.00 C ATOM 366 OE1 GLU A 23 -8.854 -13.790 7.987 1.00 10.00 O ATOM 367 OE2 GLU A 23 -9.371 -12.068 6.747 1.00 10.00 O ATOM 0 H GLU A 23 -6.635 -11.968 3.884 1.00 10.00 H new ATOM 0 HA GLU A 23 -6.809 -11.137 6.614 1.00 10.00 H new ATOM 0 HB2 GLU A 23 -5.771 -13.674 5.219 1.00 10.00 H new ATOM 0 HB3 GLU A 23 -6.031 -13.544 6.947 1.00 10.00 H new ATOM 0 HG2 GLU A 23 -8.216 -13.331 4.830 1.00 10.00 H new ATOM 0 HG3 GLU A 23 -7.870 -14.761 5.782 1.00 10.00 H new ATOM 374 N GLU A 24 -3.904 -10.887 5.287 1.00 10.00 N ATOM 375 CA GLU A 24 -2.477 -10.619 5.500 1.00 10.00 C ATOM 376 C GLU A 24 -2.234 -9.139 5.855 1.00 10.00 C ATOM 377 O GLU A 24 -3.076 -8.279 5.586 1.00 10.00 O ATOM 378 CB GLU A 24 -1.721 -11.077 4.245 1.00 10.00 C ATOM 379 CG GLU A 24 -0.196 -11.015 4.339 1.00 10.00 C ATOM 380 CD GLU A 24 0.362 -11.868 5.492 1.00 10.00 C ATOM 381 OE1 GLU A 24 0.446 -11.349 6.630 1.00 10.00 O ATOM 382 OE2 GLU A 24 0.717 -13.051 5.268 1.00 10.00 O ATOM 0 H GLU A 24 -4.218 -10.687 4.337 1.00 10.00 H new ATOM 0 HA GLU A 24 -2.100 -11.179 6.356 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -2.013 -12.103 4.020 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -2.042 -10.462 3.404 1.00 10.00 H new ATOM 0 HG2 GLU A 24 0.236 -11.356 3.398 1.00 10.00 H new ATOM 0 HG3 GLU A 24 0.114 -9.979 4.476 1.00 10.00 H new ATOM 389 N THR A 25 -1.107 -8.831 6.504 1.00 10.00 N ATOM 390 CA THR A 25 -0.814 -7.478 7.013 1.00 10.00 C ATOM 391 C THR A 25 -0.333 -6.523 5.921 1.00 10.00 C ATOM 392 O THR A 25 0.043 -6.930 4.819 1.00 10.00 O ATOM 393 CB THR A 25 0.189 -7.486 8.179 1.00 10.00 C ATOM 394 OG1 THR A 25 1.476 -7.850 7.739 1.00 10.00 O ATOM 395 CG2 THR A 25 -0.214 -8.432 9.312 1.00 10.00 C ATOM 0 H THR A 25 -0.369 -9.509 6.694 1.00 10.00 H new ATOM 0 HA THR A 25 -1.768 -7.108 7.388 1.00 10.00 H new ATOM 0 HB THR A 25 0.191 -6.467 8.565 1.00 10.00 H new ATOM 0 HG1 THR A 25 2.146 -7.308 8.205 1.00 10.00 H new ATOM 0 HG21 THR A 25 0.534 -8.391 10.103 1.00 10.00 H new ATOM 0 HG22 THR A 25 -1.182 -8.129 9.712 1.00 10.00 H new ATOM 0 HG23 THR A 25 -0.282 -9.450 8.929 1.00 10.00 H new ATOM 403 N VAL A 26 -0.300 -5.223 6.245 1.00 10.00 N ATOM 404 CA VAL A 26 0.201 -4.158 5.350 1.00 10.00 C ATOM 405 C VAL A 26 1.636 -4.420 4.883 1.00 10.00 C ATOM 406 O VAL A 26 1.979 -4.020 3.774 1.00 10.00 O ATOM 407 CB VAL A 26 0.085 -2.777 6.025 1.00 10.00 C ATOM 408 CG1 VAL A 26 0.599 -1.608 5.175 1.00 10.00 C ATOM 409 CG2 VAL A 26 -1.385 -2.498 6.357 1.00 10.00 C ATOM 0 H VAL A 26 -0.623 -4.872 7.146 1.00 10.00 H new ATOM 0 HA VAL A 26 -0.429 -4.163 4.460 1.00 10.00 H new ATOM 0 HB VAL A 26 0.714 -2.832 6.914 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.479 -0.676 5.727 1.00 10.00 H new ATOM 0 HG12 VAL A 26 1.654 -1.761 4.946 1.00 10.00 H new ATOM 0 HG13 VAL A 26 0.030 -1.555 4.247 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.471 -1.522 6.835 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.973 -2.506 5.439 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.758 -3.267 7.034 1.00 10.00 H new ATOM 419 N LYS A 27 2.449 -5.162 5.649 1.00 10.00 N ATOM 420 CA LYS A 27 3.781 -5.633 5.237 1.00 10.00 C ATOM 421 C LYS A 27 3.771 -6.282 3.849 1.00 10.00 C ATOM 422 O LYS A 27 4.614 -5.937 3.031 1.00 10.00 O ATOM 423 CB LYS A 27 4.320 -6.599 6.304 1.00 10.00 C ATOM 424 CG LYS A 27 5.813 -6.897 6.109 1.00 10.00 C ATOM 425 CD LYS A 27 6.386 -7.766 7.237 1.00 10.00 C ATOM 426 CE LYS A 27 5.803 -9.184 7.226 1.00 10.00 C ATOM 427 NZ LYS A 27 6.410 -10.030 8.289 1.00 10.00 N ATOM 0 H LYS A 27 2.195 -5.458 6.591 1.00 10.00 H new ATOM 0 HA LYS A 27 4.442 -4.770 5.156 1.00 10.00 H new ATOM 0 HB2 LYS A 27 4.162 -6.170 7.294 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.756 -7.531 6.267 1.00 10.00 H new ATOM 0 HG2 LYS A 27 5.959 -7.402 5.154 1.00 10.00 H new ATOM 0 HG3 LYS A 27 6.365 -5.958 6.060 1.00 10.00 H new ATOM 0 HD2 LYS A 27 7.470 -7.820 7.138 1.00 10.00 H new ATOM 0 HD3 LYS A 27 6.177 -7.296 8.198 1.00 10.00 H new ATOM 0 HE2 LYS A 27 4.724 -9.136 7.369 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.975 -9.642 6.252 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 5.994 -10.983 8.254 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 7.437 -10.095 8.137 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 6.224 -9.605 9.220 1.00 10.00 H new ATOM 441 N ALA A 28 2.800 -7.142 3.538 1.00 10.00 N ATOM 442 CA ALA A 28 2.704 -7.805 2.233 1.00 10.00 C ATOM 443 C ALA A 28 2.409 -6.826 1.077 1.00 10.00 C ATOM 444 O ALA A 28 3.102 -6.834 0.057 1.00 10.00 O ATOM 445 CB ALA A 28 1.634 -8.895 2.344 1.00 10.00 C ATOM 0 H ALA A 28 2.055 -7.400 4.185 1.00 10.00 H new ATOM 0 HA ALA A 28 3.670 -8.244 1.983 1.00 10.00 H new ATOM 0 HB1 ALA A 28 1.537 -9.409 1.388 1.00 10.00 H new ATOM 0 HB2 ALA A 28 1.923 -9.611 3.113 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.679 -8.442 2.610 1.00 10.00 H new ATOM 451 N LEU A 29 1.428 -5.935 1.262 1.00 10.00 N ATOM 452 CA LEU A 29 1.083 -4.834 0.359 1.00 10.00 C ATOM 453 C LEU A 29 2.275 -3.877 0.151 1.00 10.00 C ATOM 454 O LEU A 29 2.489 -3.366 -0.945 1.00 10.00 O ATOM 455 CB LEU A 29 -0.161 -4.148 0.977 1.00 10.00 C ATOM 456 CG LEU A 29 -0.424 -2.700 0.545 1.00 10.00 C ATOM 457 CD1 LEU A 29 -0.775 -2.578 -0.939 1.00 10.00 C ATOM 458 CD2 LEU A 29 -1.580 -2.089 1.339 1.00 10.00 C ATOM 0 H LEU A 29 0.826 -5.965 2.085 1.00 10.00 H new ATOM 0 HA LEU A 29 0.849 -5.189 -0.645 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.039 -4.744 0.728 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -0.059 -4.168 2.062 1.00 10.00 H new ATOM 0 HG LEU A 29 0.507 -2.168 0.739 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -0.950 -1.531 -1.187 1.00 10.00 H new ATOM 0 HD12 LEU A 29 0.050 -2.960 -1.541 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.675 -3.156 -1.149 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -1.744 -1.062 1.012 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -2.485 -2.672 1.171 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -1.336 -2.096 2.401 1.00 10.00 H new ATOM 470 N LYS A 30 3.050 -3.616 1.202 1.00 10.00 N ATOM 471 CA LYS A 30 4.183 -2.689 1.205 1.00 10.00 C ATOM 472 C LYS A 30 5.474 -3.275 0.630 1.00 10.00 C ATOM 473 O LYS A 30 6.173 -2.592 -0.116 1.00 10.00 O ATOM 474 CB LYS A 30 4.267 -2.147 2.645 1.00 10.00 C ATOM 475 CG LYS A 30 5.384 -1.146 2.960 1.00 10.00 C ATOM 476 CD LYS A 30 6.698 -1.789 3.431 1.00 10.00 C ATOM 477 CE LYS A 30 6.568 -2.638 4.711 1.00 10.00 C ATOM 478 NZ LYS A 30 6.176 -1.838 5.899 1.00 10.00 N ATOM 0 H LYS A 30 2.902 -4.060 2.108 1.00 10.00 H new ATOM 0 HA LYS A 30 4.028 -1.862 0.512 1.00 10.00 H new ATOM 0 HB2 LYS A 30 3.314 -1.674 2.882 1.00 10.00 H new ATOM 0 HB3 LYS A 30 4.377 -2.997 3.318 1.00 10.00 H new ATOM 0 HG2 LYS A 30 5.584 -0.551 2.069 1.00 10.00 H new ATOM 0 HG3 LYS A 30 5.033 -0.459 3.730 1.00 10.00 H new ATOM 0 HD2 LYS A 30 7.088 -2.418 2.631 1.00 10.00 H new ATOM 0 HD3 LYS A 30 7.432 -1.002 3.605 1.00 10.00 H new ATOM 0 HE2 LYS A 30 5.828 -3.422 4.547 1.00 10.00 H new ATOM 0 HE3 LYS A 30 7.518 -3.133 4.910 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 5.875 -2.476 6.663 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 6.988 -1.272 6.220 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 5.391 -1.205 5.647 1.00 10.00 H new ATOM 492 N GLU A 31 5.777 -4.541 0.905 1.00 10.00 N ATOM 493 CA GLU A 31 6.907 -5.252 0.295 1.00 10.00 C ATOM 494 C GLU A 31 6.722 -5.439 -1.214 1.00 10.00 C ATOM 495 O GLU A 31 7.673 -5.232 -1.971 1.00 10.00 O ATOM 496 CB GLU A 31 7.121 -6.624 0.957 1.00 10.00 C ATOM 497 CG GLU A 31 7.768 -6.518 2.346 1.00 10.00 C ATOM 498 CD GLU A 31 8.100 -7.912 2.923 1.00 10.00 C ATOM 499 OE1 GLU A 31 7.191 -8.769 3.045 1.00 10.00 O ATOM 500 OE2 GLU A 31 9.283 -8.163 3.261 1.00 10.00 O ATOM 0 H GLU A 31 5.244 -5.110 1.562 1.00 10.00 H new ATOM 0 HA GLU A 31 7.788 -4.631 0.458 1.00 10.00 H new ATOM 0 HB2 GLU A 31 6.162 -7.134 1.046 1.00 10.00 H new ATOM 0 HB3 GLU A 31 7.750 -7.239 0.314 1.00 10.00 H new ATOM 0 HG2 GLU A 31 8.679 -5.924 2.280 1.00 10.00 H new ATOM 0 HG3 GLU A 31 7.094 -5.994 3.023 1.00 10.00 H new ATOM 507 N LYS A 32 5.515 -5.800 -1.677 1.00 10.00 N ATOM 508 CA LYS A 32 5.303 -6.165 -3.084 1.00 10.00 C ATOM 509 C LYS A 32 5.512 -5.011 -4.074 1.00 10.00 C ATOM 510 O LYS A 32 5.926 -5.262 -5.204 1.00 10.00 O ATOM 511 CB LYS A 32 3.941 -6.858 -3.226 1.00 10.00 C ATOM 512 CG LYS A 32 2.726 -5.912 -3.175 1.00 10.00 C ATOM 513 CD LYS A 32 2.128 -5.538 -4.548 1.00 10.00 C ATOM 514 CE LYS A 32 1.834 -6.717 -5.501 1.00 10.00 C ATOM 515 NZ LYS A 32 1.028 -7.808 -4.884 1.00 10.00 N ATOM 0 H LYS A 32 4.675 -5.846 -1.100 1.00 10.00 H new ATOM 0 HA LYS A 32 6.084 -6.871 -3.367 1.00 10.00 H new ATOM 0 HB2 LYS A 32 3.922 -7.400 -4.171 1.00 10.00 H new ATOM 0 HB3 LYS A 32 3.841 -7.598 -2.432 1.00 10.00 H new ATOM 0 HG2 LYS A 32 1.947 -6.379 -2.572 1.00 10.00 H new ATOM 0 HG3 LYS A 32 3.020 -4.996 -2.663 1.00 10.00 H new ATOM 0 HD2 LYS A 32 1.200 -4.991 -4.381 1.00 10.00 H new ATOM 0 HD3 LYS A 32 2.815 -4.855 -5.048 1.00 10.00 H new ATOM 0 HE2 LYS A 32 1.306 -6.340 -6.377 1.00 10.00 H new ATOM 0 HE3 LYS A 32 2.779 -7.131 -5.852 1.00 10.00 H new ATOM 0 HZ1 LYS A 32 1.029 -8.637 -5.511 1.00 10.00 H new ATOM 0 HZ2 LYS A 32 1.441 -8.068 -3.966 1.00 10.00 H new ATOM 0 HZ3 LYS A 32 0.051 -7.481 -4.744 1.00 10.00 H new ATOM 529 N ILE A 33 5.267 -3.757 -3.674 1.00 10.00 N ATOM 530 CA ILE A 33 5.422 -2.592 -4.566 1.00 10.00 C ATOM 531 C ILE A 33 6.875 -2.125 -4.713 1.00 10.00 C ATOM 532 O ILE A 33 7.203 -1.487 -5.712 1.00 10.00 O ATOM 533 CB ILE A 33 4.453 -1.442 -4.216 1.00 10.00 C ATOM 534 CG1 ILE A 33 4.777 -0.623 -2.947 1.00 10.00 C ATOM 535 CG2 ILE A 33 3.023 -1.993 -4.133 1.00 10.00 C ATOM 536 CD1 ILE A 33 5.742 0.538 -3.215 1.00 10.00 C ATOM 0 H ILE A 33 4.958 -3.518 -2.732 1.00 10.00 H new ATOM 0 HA ILE A 33 5.132 -2.942 -5.557 1.00 10.00 H new ATOM 0 HB ILE A 33 4.571 -0.724 -5.028 1.00 10.00 H new ATOM 0 HG12 ILE A 33 3.851 -0.229 -2.529 1.00 10.00 H new ATOM 0 HG13 ILE A 33 5.211 -1.283 -2.196 1.00 10.00 H new ATOM 0 HG21 ILE A 33 2.335 -1.184 -3.886 1.00 10.00 H new ATOM 0 HG22 ILE A 33 2.744 -2.426 -5.093 1.00 10.00 H new ATOM 0 HG23 ILE A 33 2.973 -2.760 -3.361 1.00 10.00 H new ATOM 0 HD11 ILE A 33 5.931 1.076 -2.286 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.681 0.147 -3.606 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.300 1.217 -3.944 1.00 10.00 H new ATOM 548 N GLU A 34 7.780 -2.506 -3.804 1.00 10.00 N ATOM 549 CA GLU A 34 9.228 -2.349 -4.035 1.00 10.00 C ATOM 550 C GLU A 34 9.678 -3.134 -5.286 1.00 10.00 C ATOM 551 O GLU A 34 10.530 -2.658 -6.038 1.00 10.00 O ATOM 552 CB GLU A 34 10.024 -2.783 -2.791 1.00 10.00 C ATOM 553 CG GLU A 34 11.510 -2.396 -2.866 1.00 10.00 C ATOM 554 CD GLU A 34 12.302 -2.964 -1.678 1.00 10.00 C ATOM 555 OE1 GLU A 34 12.685 -4.157 -1.710 1.00 10.00 O ATOM 556 OE2 GLU A 34 12.606 -2.215 -0.717 1.00 10.00 O ATOM 0 H GLU A 34 7.541 -2.924 -2.905 1.00 10.00 H new ATOM 0 HA GLU A 34 9.432 -1.294 -4.217 1.00 10.00 H new ATOM 0 HB2 GLU A 34 9.580 -2.329 -1.905 1.00 10.00 H new ATOM 0 HB3 GLU A 34 9.941 -3.863 -2.671 1.00 10.00 H new ATOM 0 HG2 GLU A 34 11.936 -2.766 -3.799 1.00 10.00 H new ATOM 0 HG3 GLU A 34 11.604 -1.310 -2.881 1.00 10.00 H new ATOM 563 N SER A 35 9.054 -4.282 -5.581 1.00 10.00 N ATOM 564 CA SER A 35 9.293 -5.047 -6.822 1.00 10.00 C ATOM 565 C SER A 35 8.695 -4.393 -8.082 1.00 10.00 C ATOM 566 O SER A 35 9.082 -4.743 -9.198 1.00 10.00 O ATOM 567 CB SER A 35 8.742 -6.474 -6.700 1.00 10.00 C ATOM 568 OG SER A 35 9.295 -7.139 -5.570 1.00 10.00 O ATOM 0 H SER A 35 8.364 -4.712 -4.965 1.00 10.00 H new ATOM 0 HA SER A 35 10.376 -5.062 -6.943 1.00 10.00 H new ATOM 0 HB2 SER A 35 7.656 -6.442 -6.612 1.00 10.00 H new ATOM 0 HB3 SER A 35 8.972 -7.035 -7.606 1.00 10.00 H new ATOM 0 HG SER A 35 8.928 -8.046 -5.512 1.00 10.00 H new ATOM 574 N GLU A 36 7.772 -3.433 -7.930 1.00 10.00 N ATOM 575 CA GLU A 36 7.091 -2.736 -9.035 1.00 10.00 C ATOM 576 C GLU A 36 7.685 -1.348 -9.336 1.00 10.00 C ATOM 577 O GLU A 36 7.721 -0.936 -10.498 1.00 10.00 O ATOM 578 CB GLU A 36 5.599 -2.565 -8.697 1.00 10.00 C ATOM 579 CG GLU A 36 4.826 -3.881 -8.529 1.00 10.00 C ATOM 580 CD GLU A 36 4.859 -4.756 -9.800 1.00 10.00 C ATOM 581 OE1 GLU A 36 4.368 -4.309 -10.865 1.00 10.00 O ATOM 582 OE2 GLU A 36 5.365 -5.903 -9.741 1.00 10.00 O ATOM 0 H GLU A 36 7.469 -3.110 -7.011 1.00 10.00 H new ATOM 0 HA GLU A 36 7.230 -3.354 -9.922 1.00 10.00 H new ATOM 0 HB2 GLU A 36 5.513 -1.988 -7.776 1.00 10.00 H new ATOM 0 HB3 GLU A 36 5.126 -1.979 -9.486 1.00 10.00 H new ATOM 0 HG2 GLU A 36 5.248 -4.442 -7.695 1.00 10.00 H new ATOM 0 HG3 GLU A 36 3.790 -3.659 -8.272 1.00 10.00 H new ATOM 589 N LYS A 37 8.165 -0.635 -8.303 1.00 10.00 N ATOM 590 CA LYS A 37 8.637 0.765 -8.378 1.00 10.00 C ATOM 591 C LYS A 37 10.105 0.949 -7.959 1.00 10.00 C ATOM 592 O LYS A 37 10.694 1.992 -8.245 1.00 10.00 O ATOM 593 CB LYS A 37 7.704 1.667 -7.545 1.00 10.00 C ATOM 594 CG LYS A 37 6.211 1.614 -7.921 1.00 10.00 C ATOM 595 CD LYS A 37 5.933 2.063 -9.365 1.00 10.00 C ATOM 596 CE LYS A 37 4.440 1.935 -9.679 1.00 10.00 C ATOM 597 NZ LYS A 37 4.149 2.261 -11.098 1.00 10.00 N ATOM 0 H LYS A 37 8.239 -1.025 -7.363 1.00 10.00 H new ATOM 0 HA LYS A 37 8.600 1.059 -9.427 1.00 10.00 H new ATOM 0 HB2 LYS A 37 7.805 1.392 -6.495 1.00 10.00 H new ATOM 0 HB3 LYS A 37 8.047 2.697 -7.639 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.845 0.596 -7.787 1.00 10.00 H new ATOM 0 HG3 LYS A 37 5.648 2.247 -7.236 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.254 3.096 -9.501 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.512 1.456 -10.061 1.00 10.00 H new ATOM 0 HE2 LYS A 37 4.108 0.919 -9.463 1.00 10.00 H new ATOM 0 HE3 LYS A 37 3.873 2.601 -9.029 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 3.209 1.896 -11.352 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 4.167 3.293 -11.228 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 4.867 1.823 -11.709 1.00 10.00 H new ATOM 611 N GLY A 38 10.708 -0.069 -7.343 1.00 10.00 N ATOM 612 CA GLY A 38 12.142 -0.170 -7.056 1.00 10.00 C ATOM 613 C GLY A 38 12.554 0.326 -5.665 1.00 10.00 C ATOM 614 O GLY A 38 11.995 1.289 -5.131 1.00 10.00 O ATOM 0 H GLY A 38 10.188 -0.883 -7.015 1.00 10.00 H new ATOM 0 HA2 GLY A 38 12.447 -1.211 -7.160 1.00 10.00 H new ATOM 0 HA3 GLY A 38 12.690 0.399 -7.807 1.00 10.00 H new ATOM 618 N LYS A 39 13.618 -0.284 -5.123 1.00 10.00 N ATOM 619 CA LYS A 39 14.367 0.152 -3.928 1.00 10.00 C ATOM 620 C LYS A 39 14.774 1.634 -3.984 1.00 10.00 C ATOM 621 O LYS A 39 14.796 2.314 -2.963 1.00 10.00 O ATOM 622 CB LYS A 39 15.609 -0.761 -3.834 1.00 10.00 C ATOM 623 CG LYS A 39 16.489 -0.558 -2.590 1.00 10.00 C ATOM 624 CD LYS A 39 15.865 -1.083 -1.289 1.00 10.00 C ATOM 625 CE LYS A 39 15.877 -2.617 -1.253 1.00 10.00 C ATOM 626 NZ LYS A 39 15.151 -3.138 -0.069 1.00 10.00 N ATOM 0 H LYS A 39 14.002 -1.139 -5.525 1.00 10.00 H new ATOM 0 HA LYS A 39 13.735 0.065 -3.044 1.00 10.00 H new ATOM 0 HB2 LYS A 39 15.277 -1.799 -3.857 1.00 10.00 H new ATOM 0 HB3 LYS A 39 16.222 -0.602 -4.721 1.00 10.00 H new ATOM 0 HG2 LYS A 39 17.445 -1.057 -2.749 1.00 10.00 H new ATOM 0 HG3 LYS A 39 16.699 0.505 -2.476 1.00 10.00 H new ATOM 0 HD2 LYS A 39 16.415 -0.691 -0.434 1.00 10.00 H new ATOM 0 HD3 LYS A 39 14.840 -0.722 -1.201 1.00 10.00 H new ATOM 0 HE2 LYS A 39 15.420 -3.007 -2.162 1.00 10.00 H new ATOM 0 HE3 LYS A 39 16.907 -2.974 -1.236 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 15.163 -4.178 -0.084 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.613 -2.799 0.799 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.167 -2.803 -0.090 1.00 10.00 H new ATOM 640 N ASP A 40 15.060 2.137 -5.184 1.00 10.00 N ATOM 641 CA ASP A 40 15.463 3.527 -5.442 1.00 10.00 C ATOM 642 C ASP A 40 14.361 4.569 -5.162 1.00 10.00 C ATOM 643 O ASP A 40 14.677 5.740 -4.933 1.00 10.00 O ATOM 644 CB ASP A 40 15.930 3.653 -6.900 1.00 10.00 C ATOM 645 CG ASP A 40 17.182 2.810 -7.185 1.00 10.00 C ATOM 646 OD1 ASP A 40 18.311 3.280 -6.898 1.00 10.00 O ATOM 647 OD2 ASP A 40 17.043 1.674 -7.698 1.00 10.00 O ATOM 0 H ASP A 40 15.018 1.574 -6.033 1.00 10.00 H new ATOM 0 HA ASP A 40 16.270 3.749 -4.744 1.00 10.00 H new ATOM 0 HB2 ASP A 40 15.125 3.341 -7.565 1.00 10.00 H new ATOM 0 HB3 ASP A 40 16.140 4.699 -7.123 1.00 10.00 H new ATOM 652 N ALA A 41 13.084 4.168 -5.146 1.00 10.00 N ATOM 653 CA ALA A 41 11.936 5.079 -5.042 1.00 10.00 C ATOM 654 C ALA A 41 10.959 4.733 -3.903 1.00 10.00 C ATOM 655 O ALA A 41 10.364 5.644 -3.331 1.00 10.00 O ATOM 656 CB ALA A 41 11.220 5.104 -6.398 1.00 10.00 C ATOM 0 H ALA A 41 12.814 3.186 -5.206 1.00 10.00 H new ATOM 0 HA ALA A 41 12.318 6.067 -4.785 1.00 10.00 H new ATOM 0 HB1 ALA A 41 10.363 5.775 -6.344 1.00 10.00 H new ATOM 0 HB2 ALA A 41 11.908 5.455 -7.167 1.00 10.00 H new ATOM 0 HB3 ALA A 41 10.879 4.099 -6.648 1.00 10.00 H new ATOM 662 N PHE A 42 10.832 3.452 -3.537 1.00 10.00 N ATOM 663 CA PHE A 42 9.968 2.967 -2.451 1.00 10.00 C ATOM 664 C PHE A 42 10.654 1.847 -1.635 1.00 10.00 C ATOM 665 O PHE A 42 10.190 0.702 -1.636 1.00 10.00 O ATOM 666 CB PHE A 42 8.601 2.544 -3.018 1.00 10.00 C ATOM 667 CG PHE A 42 7.754 3.705 -3.502 1.00 10.00 C ATOM 668 CD1 PHE A 42 6.966 4.427 -2.585 1.00 10.00 C ATOM 669 CD2 PHE A 42 7.787 4.094 -4.854 1.00 10.00 C ATOM 670 CE1 PHE A 42 6.240 5.552 -3.014 1.00 10.00 C ATOM 671 CE2 PHE A 42 7.052 5.212 -5.286 1.00 10.00 C ATOM 672 CZ PHE A 42 6.285 5.946 -4.363 1.00 10.00 C ATOM 0 H PHE A 42 11.342 2.701 -4.001 1.00 10.00 H new ATOM 0 HA PHE A 42 9.794 3.781 -1.747 1.00 10.00 H new ATOM 0 HB2 PHE A 42 8.759 1.852 -3.845 1.00 10.00 H new ATOM 0 HB3 PHE A 42 8.051 2.001 -2.249 1.00 10.00 H new ATOM 0 HD1 PHE A 42 6.919 4.116 -1.552 1.00 10.00 H new ATOM 0 HD2 PHE A 42 8.379 3.532 -5.562 1.00 10.00 H new ATOM 0 HE1 PHE A 42 5.648 6.114 -2.307 1.00 10.00 H new ATOM 0 HE2 PHE A 42 7.076 5.507 -6.325 1.00 10.00 H new ATOM 0 HZ PHE A 42 5.730 6.813 -4.691 1.00 10.00 H new ATOM 682 N PRO A 43 11.772 2.140 -0.940 1.00 10.00 N ATOM 683 CA PRO A 43 12.463 1.159 -0.107 1.00 10.00 C ATOM 684 C PRO A 43 11.589 0.734 1.081 1.00 10.00 C ATOM 685 O PRO A 43 11.073 1.584 1.807 1.00 10.00 O ATOM 686 CB PRO A 43 13.760 1.835 0.347 1.00 10.00 C ATOM 687 CG PRO A 43 13.403 3.316 0.336 1.00 10.00 C ATOM 688 CD PRO A 43 12.403 3.447 -0.811 1.00 10.00 C ATOM 0 HA PRO A 43 12.678 0.242 -0.656 1.00 10.00 H new ATOM 0 HB2 PRO A 43 14.062 1.501 1.340 1.00 10.00 H new ATOM 0 HB3 PRO A 43 14.587 1.615 -0.329 1.00 10.00 H new ATOM 0 HG2 PRO A 43 12.966 3.628 1.284 1.00 10.00 H new ATOM 0 HG3 PRO A 43 14.283 3.937 0.171 1.00 10.00 H new ATOM 0 HD2 PRO A 43 11.663 4.219 -0.598 1.00 10.00 H new ATOM 0 HD3 PRO A 43 12.904 3.732 -1.736 1.00 10.00 H new ATOM 696 N VAL A 44 11.447 -0.571 1.324 1.00 10.00 N ATOM 697 CA VAL A 44 10.668 -1.136 2.454 1.00 10.00 C ATOM 698 C VAL A 44 11.090 -0.560 3.814 1.00 10.00 C ATOM 699 O VAL A 44 10.242 -0.298 4.666 1.00 10.00 O ATOM 700 CB VAL A 44 10.760 -2.678 2.436 1.00 10.00 C ATOM 701 CG1 VAL A 44 10.210 -3.349 3.701 1.00 10.00 C ATOM 702 CG2 VAL A 44 9.948 -3.217 1.255 1.00 10.00 C ATOM 0 H VAL A 44 11.874 -1.287 0.736 1.00 10.00 H new ATOM 0 HA VAL A 44 9.627 -0.842 2.318 1.00 10.00 H new ATOM 0 HB VAL A 44 11.822 -2.912 2.363 1.00 10.00 H new ATOM 0 HG11 VAL A 44 10.310 -4.431 3.612 1.00 10.00 H new ATOM 0 HG12 VAL A 44 10.771 -3.003 4.569 1.00 10.00 H new ATOM 0 HG13 VAL A 44 9.158 -3.091 3.822 1.00 10.00 H new ATOM 0 HG21 VAL A 44 10.010 -4.305 1.238 1.00 10.00 H new ATOM 0 HG22 VAL A 44 8.906 -2.914 1.361 1.00 10.00 H new ATOM 0 HG23 VAL A 44 10.349 -2.816 0.324 1.00 10.00 H new ATOM 712 N ALA A 45 12.388 -0.297 3.993 1.00 10.00 N ATOM 713 CA ALA A 45 12.967 0.315 5.191 1.00 10.00 C ATOM 714 C ALA A 45 12.616 1.808 5.403 1.00 10.00 C ATOM 715 O ALA A 45 12.908 2.355 6.470 1.00 10.00 O ATOM 716 CB ALA A 45 14.485 0.145 5.087 1.00 10.00 C ATOM 0 H ALA A 45 13.088 -0.512 3.283 1.00 10.00 H new ATOM 0 HA ALA A 45 12.539 -0.189 6.058 1.00 10.00 H new ATOM 0 HB1 ALA A 45 14.961 0.588 5.962 1.00 10.00 H new ATOM 0 HB2 ALA A 45 14.730 -0.916 5.039 1.00 10.00 H new ATOM 0 HB3 ALA A 45 14.846 0.642 4.187 1.00 10.00 H new ATOM 722 N GLY A 46 12.020 2.477 4.407 1.00 10.00 N ATOM 723 CA GLY A 46 11.826 3.933 4.384 1.00 10.00 C ATOM 724 C GLY A 46 10.534 4.402 3.709 1.00 10.00 C ATOM 725 O GLY A 46 10.451 5.577 3.346 1.00 10.00 O ATOM 0 H GLY A 46 11.652 2.011 3.578 1.00 10.00 H new ATOM 0 HA2 GLY A 46 11.837 4.302 5.409 1.00 10.00 H new ATOM 0 HA3 GLY A 46 12.673 4.389 3.871 1.00 10.00 H new ATOM 729 N GLN A 47 9.530 3.527 3.553 1.00 10.00 N ATOM 730 CA GLN A 47 8.206 3.899 3.016 1.00 10.00 C ATOM 731 C GLN A 47 7.059 3.773 4.038 1.00 10.00 C ATOM 732 O GLN A 47 7.151 3.031 5.020 1.00 10.00 O ATOM 733 CB GLN A 47 7.911 3.169 1.692 1.00 10.00 C ATOM 734 CG GLN A 47 7.620 1.671 1.840 1.00 10.00 C ATOM 735 CD GLN A 47 6.956 1.098 0.591 1.00 10.00 C ATOM 736 OE1 GLN A 47 5.808 1.387 0.288 1.00 10.00 O ATOM 737 NE2 GLN A 47 7.616 0.242 -0.154 1.00 10.00 N ATOM 0 H GLN A 47 9.610 2.539 3.795 1.00 10.00 H new ATOM 0 HA GLN A 47 8.257 4.965 2.795 1.00 10.00 H new ATOM 0 HB2 GLN A 47 7.057 3.646 1.212 1.00 10.00 H new ATOM 0 HB3 GLN A 47 8.763 3.296 1.025 1.00 10.00 H new ATOM 0 HG2 GLN A 47 8.550 1.137 2.035 1.00 10.00 H new ATOM 0 HG3 GLN A 47 6.973 1.510 2.702 1.00 10.00 H new ATOM 0 HE21 GLN A 47 8.575 -0.009 0.086 1.00 10.00 H new ATOM 0 HE22 GLN A 47 7.170 -0.172 -0.973 1.00 10.00 H new ATOM 746 N LYS A 48 5.973 4.511 3.779 1.00 10.00 N ATOM 747 CA LYS A 48 4.779 4.722 4.617 1.00 10.00 C ATOM 748 C LYS A 48 3.515 4.719 3.739 1.00 10.00 C ATOM 749 O LYS A 48 3.596 4.946 2.530 1.00 10.00 O ATOM 750 CB LYS A 48 4.874 6.083 5.345 1.00 10.00 C ATOM 751 CG LYS A 48 6.191 6.419 6.063 1.00 10.00 C ATOM 752 CD LYS A 48 6.454 5.554 7.303 1.00 10.00 C ATOM 753 CE LYS A 48 7.818 5.926 7.898 1.00 10.00 C ATOM 754 NZ LYS A 48 8.130 5.121 9.107 1.00 10.00 N ATOM 0 H LYS A 48 5.897 5.023 2.900 1.00 10.00 H new ATOM 0 HA LYS A 48 4.724 3.917 5.349 1.00 10.00 H new ATOM 0 HB2 LYS A 48 4.681 6.868 4.614 1.00 10.00 H new ATOM 0 HB3 LYS A 48 4.071 6.127 6.080 1.00 10.00 H new ATOM 0 HG2 LYS A 48 7.018 6.297 5.363 1.00 10.00 H new ATOM 0 HG3 LYS A 48 6.176 7.468 6.359 1.00 10.00 H new ATOM 0 HD2 LYS A 48 5.668 5.708 8.042 1.00 10.00 H new ATOM 0 HD3 LYS A 48 6.437 4.498 7.034 1.00 10.00 H new ATOM 0 HE2 LYS A 48 8.595 5.773 7.149 1.00 10.00 H new ATOM 0 HE3 LYS A 48 7.826 6.985 8.154 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 9.059 5.401 9.480 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 7.402 5.286 9.831 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 8.147 4.112 8.857 1.00 10.00 H new ATOM 768 N LEU A 49 2.346 4.492 4.341 1.00 10.00 N ATOM 769 CA LEU A 49 1.056 4.380 3.646 1.00 10.00 C ATOM 770 C LEU A 49 -0.101 5.063 4.401 1.00 10.00 C ATOM 771 O LEU A 49 -0.177 5.016 5.631 1.00 10.00 O ATOM 772 CB LEU A 49 0.708 2.897 3.402 1.00 10.00 C ATOM 773 CG LEU A 49 1.541 2.192 2.316 1.00 10.00 C ATOM 774 CD1 LEU A 49 2.740 1.425 2.886 1.00 10.00 C ATOM 775 CD2 LEU A 49 0.687 1.166 1.567 1.00 10.00 C ATOM 0 H LEU A 49 2.265 4.378 5.351 1.00 10.00 H new ATOM 0 HA LEU A 49 1.172 4.902 2.696 1.00 10.00 H new ATOM 0 HB2 LEU A 49 0.830 2.354 4.339 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -0.345 2.829 3.129 1.00 10.00 H new ATOM 0 HG LEU A 49 1.895 2.987 1.660 1.00 10.00 H new ATOM 0 HD11 LEU A 49 3.288 0.950 2.072 1.00 10.00 H new ATOM 0 HD12 LEU A 49 3.398 2.117 3.411 1.00 10.00 H new ATOM 0 HD13 LEU A 49 2.387 0.662 3.580 1.00 10.00 H new ATOM 0 HD21 LEU A 49 1.292 0.677 0.803 1.00 10.00 H new ATOM 0 HD22 LEU A 49 0.316 0.419 2.269 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -0.156 1.670 1.095 1.00 10.00 H new ATOM 787 N ILE A 50 -1.043 5.625 3.636 1.00 10.00 N ATOM 788 CA ILE A 50 -2.284 6.278 4.108 1.00 10.00 C ATOM 789 C ILE A 50 -3.464 5.807 3.253 1.00 10.00 C ATOM 790 O ILE A 50 -3.333 5.760 2.033 1.00 10.00 O ATOM 791 CB ILE A 50 -2.157 7.820 3.992 1.00 10.00 C ATOM 792 CG1 ILE A 50 -1.121 8.429 4.959 1.00 10.00 C ATOM 793 CG2 ILE A 50 -3.511 8.536 4.186 1.00 10.00 C ATOM 794 CD1 ILE A 50 -1.505 8.334 6.439 1.00 10.00 C ATOM 0 H ILE A 50 -0.963 5.641 2.619 1.00 10.00 H new ATOM 0 HA ILE A 50 -2.448 6.010 5.152 1.00 10.00 H new ATOM 0 HB ILE A 50 -1.804 7.986 2.974 1.00 10.00 H new ATOM 0 HG12 ILE A 50 -0.165 7.927 4.811 1.00 10.00 H new ATOM 0 HG13 ILE A 50 -0.974 9.478 4.701 1.00 10.00 H new ATOM 0 HG21 ILE A 50 -3.369 9.613 4.096 1.00 10.00 H new ATOM 0 HG22 ILE A 50 -4.214 8.197 3.425 1.00 10.00 H new ATOM 0 HG23 ILE A 50 -3.907 8.304 5.175 1.00 10.00 H new ATOM 0 HD11 ILE A 50 -0.722 8.786 7.048 1.00 10.00 H new ATOM 0 HD12 ILE A 50 -2.444 8.862 6.606 1.00 10.00 H new ATOM 0 HD13 ILE A 50 -1.623 7.287 6.718 1.00 10.00 H new ATOM 806 N TYR A 51 -4.637 5.544 3.847 1.00 10.00 N ATOM 807 CA TYR A 51 -5.839 5.206 3.060 1.00 10.00 C ATOM 808 C TYR A 51 -6.784 6.402 2.880 1.00 10.00 C ATOM 809 O TYR A 51 -7.004 6.868 1.763 1.00 10.00 O ATOM 810 CB TYR A 51 -6.533 3.981 3.678 1.00 10.00 C ATOM 811 CG TYR A 51 -7.864 3.579 3.058 1.00 10.00 C ATOM 812 CD1 TYR A 51 -8.065 3.645 1.665 1.00 10.00 C ATOM 813 CD2 TYR A 51 -8.904 3.106 3.882 1.00 10.00 C ATOM 814 CE1 TYR A 51 -9.292 3.254 1.103 1.00 10.00 C ATOM 815 CE2 TYR A 51 -10.137 2.711 3.326 1.00 10.00 C ATOM 816 CZ TYR A 51 -10.336 2.794 1.931 1.00 10.00 C ATOM 817 OH TYR A 51 -11.522 2.420 1.373 1.00 10.00 O ATOM 0 H TYR A 51 -4.782 5.557 4.857 1.00 10.00 H new ATOM 0 HA TYR A 51 -5.527 4.945 2.049 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -5.853 3.132 3.610 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -6.694 4.177 4.738 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -7.270 3.999 1.025 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -8.755 3.046 4.950 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -9.436 3.306 0.034 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -10.927 2.346 3.965 1.00 10.00 H new ATOM 0 HH TYR A 51 -12.137 2.127 2.077 1.00 10.00 H new ATOM 827 N ALA A 52 -7.293 6.933 3.990 1.00 10.00 N ATOM 828 CA ALA A 52 -8.313 7.990 4.025 1.00 10.00 C ATOM 829 C ALA A 52 -8.058 9.027 5.147 1.00 10.00 C ATOM 830 O ALA A 52 -8.991 9.636 5.674 1.00 10.00 O ATOM 831 CB ALA A 52 -9.684 7.301 4.141 1.00 10.00 C ATOM 0 H ALA A 52 -7.001 6.633 4.920 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.275 8.578 3.108 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -10.469 8.056 4.170 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -9.838 6.650 3.280 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.717 6.708 5.055 1.00 10.00 H new ATOM 837 N GLY A 53 -6.792 9.173 5.564 1.00 10.00 N ATOM 838 CA GLY A 53 -6.384 9.953 6.749 1.00 10.00 C ATOM 839 C GLY A 53 -6.048 9.082 7.970 1.00 10.00 C ATOM 840 O GLY A 53 -5.727 9.607 9.040 1.00 10.00 O ATOM 0 H GLY A 53 -6.004 8.744 5.079 1.00 10.00 H new ATOM 0 HA2 GLY A 53 -5.514 10.558 6.494 1.00 10.00 H new ATOM 0 HA3 GLY A 53 -7.186 10.643 7.014 1.00 10.00 H new ATOM 844 N LYS A 54 -6.100 7.753 7.803 1.00 10.00 N ATOM 845 CA LYS A 54 -5.664 6.728 8.764 1.00 10.00 C ATOM 846 C LYS A 54 -4.307 6.161 8.347 1.00 10.00 C ATOM 847 O LYS A 54 -3.980 6.162 7.157 1.00 10.00 O ATOM 848 CB LYS A 54 -6.735 5.623 8.888 1.00 10.00 C ATOM 849 CG LYS A 54 -6.893 4.712 7.654 1.00 10.00 C ATOM 850 CD LYS A 54 -7.928 3.592 7.860 1.00 10.00 C ATOM 851 CE LYS A 54 -9.372 4.112 7.815 1.00 10.00 C ATOM 852 NZ LYS A 54 -10.361 3.011 7.975 1.00 10.00 N ATOM 0 H LYS A 54 -6.468 7.341 6.946 1.00 10.00 H new ATOM 0 HA LYS A 54 -5.545 7.182 9.748 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -6.492 5.000 9.749 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -7.696 6.094 9.096 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -7.188 5.318 6.797 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -5.928 4.267 7.412 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -7.795 2.832 7.090 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -7.749 3.108 8.820 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -9.518 4.849 8.605 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -9.545 4.622 6.867 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -11.318 3.374 7.788 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -10.143 2.248 7.303 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -10.315 2.641 8.946 1.00 10.00 H new ATOM 866 N ILE A 55 -3.558 5.619 9.304 1.00 10.00 N ATOM 867 CA ILE A 55 -2.202 5.103 9.075 1.00 10.00 C ATOM 868 C ILE A 55 -2.291 3.580 8.917 1.00 10.00 C ATOM 869 O ILE A 55 -2.665 2.868 9.853 1.00 10.00 O ATOM 870 CB ILE A 55 -1.239 5.463 10.237 1.00 10.00 C ATOM 871 CG1 ILE A 55 -1.390 6.886 10.829 1.00 10.00 C ATOM 872 CG2 ILE A 55 0.210 5.222 9.780 1.00 10.00 C ATOM 873 CD1 ILE A 55 -1.259 8.048 9.843 1.00 10.00 C ATOM 0 H ILE A 55 -3.873 5.523 10.269 1.00 10.00 H new ATOM 0 HA ILE A 55 -1.797 5.563 8.174 1.00 10.00 H new ATOM 0 HB ILE A 55 -1.517 4.805 11.061 1.00 10.00 H new ATOM 0 HG12 ILE A 55 -2.365 6.954 11.311 1.00 10.00 H new ATOM 0 HG13 ILE A 55 -0.640 7.013 11.609 1.00 10.00 H new ATOM 0 HG21 ILE A 55 0.894 5.473 10.591 1.00 10.00 H new ATOM 0 HG22 ILE A 55 0.337 4.174 9.510 1.00 10.00 H new ATOM 0 HG23 ILE A 55 0.428 5.849 8.915 1.00 10.00 H new ATOM 0 HD11 ILE A 55 -1.383 8.992 10.374 1.00 10.00 H new ATOM 0 HD12 ILE A 55 -0.274 8.021 9.377 1.00 10.00 H new ATOM 0 HD13 ILE A 55 -2.026 7.961 9.074 1.00 10.00 H new ATOM 885 N LEU A 56 -1.972 3.074 7.723 1.00 10.00 N ATOM 886 CA LEU A 56 -1.880 1.631 7.479 1.00 10.00 C ATOM 887 C LEU A 56 -0.634 1.069 8.194 1.00 10.00 C ATOM 888 O LEU A 56 0.461 1.626 8.075 1.00 10.00 O ATOM 889 CB LEU A 56 -1.882 1.365 5.959 1.00 10.00 C ATOM 890 CG LEU A 56 -3.134 1.843 5.195 1.00 10.00 C ATOM 891 CD1 LEU A 56 -3.091 1.324 3.757 1.00 10.00 C ATOM 892 CD2 LEU A 56 -4.436 1.345 5.823 1.00 10.00 C ATOM 0 H LEU A 56 -1.771 3.647 6.904 1.00 10.00 H new ATOM 0 HA LEU A 56 -2.744 1.111 7.892 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -1.007 1.848 5.524 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -1.768 0.293 5.797 1.00 10.00 H new ATOM 0 HG LEU A 56 -3.121 2.932 5.233 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -3.977 1.664 3.221 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -2.198 1.703 3.260 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -3.067 0.234 3.764 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -5.283 1.712 5.244 1.00 10.00 H new ATOM 0 HD22 LEU A 56 -4.444 0.255 5.827 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -4.510 1.712 6.847 1.00 10.00 H new ATOM 904 N ASN A 57 -0.801 -0.012 8.960 1.00 10.00 N ATOM 905 CA ASN A 57 0.150 -0.487 9.971 1.00 10.00 C ATOM 906 C ASN A 57 0.661 -1.918 9.690 1.00 10.00 C ATOM 907 O ASN A 57 -0.089 -2.834 9.354 1.00 10.00 O ATOM 908 CB ASN A 57 -0.532 -0.365 11.349 1.00 10.00 C ATOM 909 CG ASN A 57 0.315 -0.958 12.462 1.00 10.00 C ATOM 910 OD1 ASN A 57 1.418 -0.509 12.736 1.00 10.00 O ATOM 911 ND2 ASN A 57 -0.142 -2.008 13.110 1.00 10.00 N ATOM 0 H ASN A 57 -1.630 -0.602 8.892 1.00 10.00 H new ATOM 0 HA ASN A 57 1.047 0.131 9.944 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -0.728 0.685 11.564 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.498 -0.870 11.321 1.00 10.00 H new ATOM 0 HD21 ASN A 57 0.424 -2.444 13.838 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -1.062 -2.386 12.884 1.00 10.00 H new ATOM 918 N ASP A 58 1.969 -2.112 9.863 1.00 10.00 N ATOM 919 CA ASP A 58 2.731 -3.303 9.455 1.00 10.00 C ATOM 920 C ASP A 58 2.302 -4.633 10.118 1.00 10.00 C ATOM 921 O ASP A 58 2.643 -5.706 9.625 1.00 10.00 O ATOM 922 CB ASP A 58 4.206 -2.998 9.768 1.00 10.00 C ATOM 923 CG ASP A 58 5.193 -3.908 9.027 1.00 10.00 C ATOM 924 OD1 ASP A 58 5.401 -3.668 7.813 1.00 10.00 O ATOM 925 OD2 ASP A 58 5.814 -4.792 9.663 1.00 10.00 O ATOM 0 H ASP A 58 2.559 -1.412 10.313 1.00 10.00 H new ATOM 0 HA ASP A 58 2.540 -3.475 8.396 1.00 10.00 H new ATOM 0 HB2 ASP A 58 4.417 -1.961 9.508 1.00 10.00 H new ATOM 0 HB3 ASP A 58 4.369 -3.097 10.841 1.00 10.00 H new ATOM 930 N ASP A 59 1.533 -4.572 11.211 1.00 10.00 N ATOM 931 CA ASP A 59 1.221 -5.706 12.097 1.00 10.00 C ATOM 932 C ASP A 59 -0.287 -6.052 12.163 1.00 10.00 C ATOM 933 O ASP A 59 -0.684 -6.941 12.921 1.00 10.00 O ATOM 934 CB ASP A 59 1.811 -5.389 13.484 1.00 10.00 C ATOM 935 CG ASP A 59 1.848 -6.604 14.431 1.00 10.00 C ATOM 936 OD1 ASP A 59 2.443 -7.646 14.065 1.00 10.00 O ATOM 937 OD2 ASP A 59 1.336 -6.501 15.573 1.00 10.00 O ATOM 0 H ASP A 59 1.094 -3.703 11.516 1.00 10.00 H new ATOM 0 HA ASP A 59 1.675 -6.608 11.688 1.00 10.00 H new ATOM 0 HB2 ASP A 59 2.823 -5.005 13.360 1.00 10.00 H new ATOM 0 HB3 ASP A 59 1.224 -4.596 13.947 1.00 10.00 H new ATOM 942 N THR A 60 -1.130 -5.400 11.349 1.00 10.00 N ATOM 943 CA THR A 60 -2.592 -5.604 11.317 1.00 10.00 C ATOM 944 C THR A 60 -3.073 -5.858 9.881 1.00 10.00 C ATOM 945 O THR A 60 -2.554 -5.278 8.923 1.00 10.00 O ATOM 946 CB THR A 60 -3.325 -4.407 11.954 1.00 10.00 C ATOM 947 OG1 THR A 60 -2.843 -4.156 13.261 1.00 10.00 O ATOM 948 CG2 THR A 60 -4.832 -4.618 12.054 1.00 10.00 C ATOM 0 H THR A 60 -0.811 -4.700 10.679 1.00 10.00 H new ATOM 0 HA THR A 60 -2.830 -6.489 11.908 1.00 10.00 H new ATOM 0 HB THR A 60 -3.128 -3.562 11.294 1.00 10.00 H new ATOM 0 HG1 THR A 60 -3.321 -3.391 13.645 1.00 10.00 H new ATOM 0 HG21 THR A 60 -5.293 -3.742 12.510 1.00 10.00 H new ATOM 0 HG22 THR A 60 -5.245 -4.767 11.057 1.00 10.00 H new ATOM 0 HG23 THR A 60 -5.037 -5.496 12.667 1.00 10.00 H new ATOM 956 N ALA A 61 -4.034 -6.776 9.725 1.00 10.00 N ATOM 957 CA ALA A 61 -4.514 -7.290 8.441 1.00 10.00 C ATOM 958 C ALA A 61 -5.291 -6.267 7.587 1.00 10.00 C ATOM 959 O ALA A 61 -6.072 -5.467 8.106 1.00 10.00 O ATOM 960 CB ALA A 61 -5.374 -8.525 8.718 1.00 10.00 C ATOM 0 H ALA A 61 -4.515 -7.196 10.520 1.00 10.00 H new ATOM 0 HA ALA A 61 -3.637 -7.536 7.842 1.00 10.00 H new ATOM 0 HB1 ALA A 61 -5.745 -8.929 7.776 1.00 10.00 H new ATOM 0 HB2 ALA A 61 -4.773 -9.280 9.225 1.00 10.00 H new ATOM 0 HB3 ALA A 61 -6.217 -8.247 9.351 1.00 10.00 H new ATOM 966 N LEU A 62 -5.139 -6.358 6.261 1.00 10.00 N ATOM 967 CA LEU A 62 -5.751 -5.505 5.238 1.00 10.00 C ATOM 968 C LEU A 62 -7.250 -5.213 5.418 1.00 10.00 C ATOM 969 O LEU A 62 -7.674 -4.060 5.296 1.00 10.00 O ATOM 970 CB LEU A 62 -5.485 -6.192 3.886 1.00 10.00 C ATOM 971 CG LEU A 62 -4.392 -5.556 3.023 1.00 10.00 C ATOM 972 CD1 LEU A 62 -4.907 -4.268 2.383 1.00 10.00 C ATOM 973 CD2 LEU A 62 -3.070 -5.263 3.734 1.00 10.00 C ATOM 0 H LEU A 62 -4.546 -7.077 5.848 1.00 10.00 H new ATOM 0 HA LEU A 62 -5.298 -4.517 5.312 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -5.215 -7.231 4.074 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -6.414 -6.202 3.315 1.00 10.00 H new ATOM 0 HG LEU A 62 -4.163 -6.315 2.275 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -4.120 -3.826 1.772 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -5.770 -4.493 1.756 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -5.199 -3.565 3.163 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -2.370 -4.814 3.030 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -3.246 -4.573 4.560 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -2.651 -6.192 4.120 1.00 10.00 H new ATOM 985 N LYS A 63 -8.066 -6.229 5.721 1.00 10.00 N ATOM 986 CA LYS A 63 -9.522 -6.051 5.878 1.00 10.00 C ATOM 987 C LYS A 63 -9.953 -5.228 7.101 1.00 10.00 C ATOM 988 O LYS A 63 -11.043 -4.658 7.087 1.00 10.00 O ATOM 989 CB LYS A 63 -10.246 -7.406 5.786 1.00 10.00 C ATOM 990 CG LYS A 63 -10.359 -8.236 7.076 1.00 10.00 C ATOM 991 CD LYS A 63 -9.021 -8.601 7.741 1.00 10.00 C ATOM 992 CE LYS A 63 -9.203 -9.333 9.082 1.00 10.00 C ATOM 993 NZ LYS A 63 -10.030 -10.561 8.961 1.00 10.00 N ATOM 0 H LYS A 63 -7.746 -7.187 5.864 1.00 10.00 H new ATOM 0 HA LYS A 63 -9.836 -5.431 5.038 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -11.254 -7.225 5.412 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -9.733 -8.012 5.039 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -10.963 -7.681 7.794 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -10.897 -9.157 6.850 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -8.444 -9.230 7.064 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -8.441 -7.692 7.904 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -8.224 -9.598 9.482 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -9.668 -8.657 9.799 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -9.764 -11.234 9.708 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -11.035 -10.314 9.060 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -9.871 -10.997 8.030 1.00 10.00 H new ATOM 1007 N GLU A 64 -9.113 -5.102 8.134 1.00 10.00 N ATOM 1008 CA GLU A 64 -9.428 -4.328 9.351 1.00 10.00 C ATOM 1009 C GLU A 64 -9.506 -2.816 9.082 1.00 10.00 C ATOM 1010 O GLU A 64 -10.228 -2.095 9.772 1.00 10.00 O ATOM 1011 CB GLU A 64 -8.376 -4.584 10.445 1.00 10.00 C ATOM 1012 CG GLU A 64 -8.341 -6.028 10.966 1.00 10.00 C ATOM 1013 CD GLU A 64 -9.619 -6.383 11.748 1.00 10.00 C ATOM 1014 OE1 GLU A 64 -9.685 -6.109 12.972 1.00 10.00 O ATOM 1015 OE2 GLU A 64 -10.567 -6.943 11.147 1.00 10.00 O ATOM 0 H GLU A 64 -8.189 -5.534 8.154 1.00 10.00 H new ATOM 0 HA GLU A 64 -10.408 -4.667 9.685 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.392 -4.328 10.052 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -8.569 -3.913 11.282 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -8.225 -6.715 10.127 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -7.472 -6.162 11.610 1.00 10.00 H new ATOM 1022 N TYR A 65 -8.800 -2.342 8.051 1.00 10.00 N ATOM 1023 CA TYR A 65 -8.830 -0.935 7.610 1.00 10.00 C ATOM 1024 C TYR A 65 -10.030 -0.609 6.700 1.00 10.00 C ATOM 1025 O TYR A 65 -10.259 0.564 6.386 1.00 10.00 O ATOM 1026 CB TYR A 65 -7.529 -0.591 6.875 1.00 10.00 C ATOM 1027 CG TYR A 65 -6.275 -0.969 7.626 1.00 10.00 C ATOM 1028 CD1 TYR A 65 -5.788 -0.170 8.681 1.00 10.00 C ATOM 1029 CD2 TYR A 65 -5.597 -2.145 7.261 1.00 10.00 C ATOM 1030 CE1 TYR A 65 -4.616 -0.548 9.355 1.00 10.00 C ATOM 1031 CE2 TYR A 65 -4.441 -2.536 7.943 1.00 10.00 C ATOM 1032 CZ TYR A 65 -3.943 -1.724 8.974 1.00 10.00 C ATOM 1033 OH TYR A 65 -2.787 -2.055 9.584 1.00 10.00 O ATOM 0 H TYR A 65 -8.182 -2.928 7.489 1.00 10.00 H new ATOM 0 HA TYR A 65 -8.935 -0.330 8.510 1.00 10.00 H new ATOM 0 HB2 TYR A 65 -7.526 -1.096 5.909 1.00 10.00 H new ATOM 0 HB3 TYR A 65 -7.510 0.480 6.675 1.00 10.00 H new ATOM 0 HD1 TYR A 65 -6.314 0.728 8.969 1.00 10.00 H new ATOM 0 HD2 TYR A 65 -5.971 -2.750 6.449 1.00 10.00 H new ATOM 0 HE1 TYR A 65 -4.233 0.060 10.161 1.00 10.00 H new ATOM 0 HE2 TYR A 65 -3.936 -3.454 7.679 1.00 10.00 H new ATOM 0 HH TYR A 65 -2.165 -2.430 8.926 1.00 10.00 H new ATOM 1043 N LYS A 66 -10.790 -1.637 6.288 1.00 10.00 N ATOM 1044 CA LYS A 66 -11.931 -1.596 5.352 1.00 10.00 C ATOM 1045 C LYS A 66 -11.603 -0.933 4.003 1.00 10.00 C ATOM 1046 O LYS A 66 -12.364 -0.101 3.500 1.00 10.00 O ATOM 1047 CB LYS A 66 -13.183 -1.029 6.056 1.00 10.00 C ATOM 1048 CG LYS A 66 -13.577 -1.849 7.296 1.00 10.00 C ATOM 1049 CD LYS A 66 -14.878 -1.322 7.921 1.00 10.00 C ATOM 1050 CE LYS A 66 -15.247 -2.062 9.215 1.00 10.00 C ATOM 1051 NZ LYS A 66 -15.631 -3.479 8.972 1.00 10.00 N ATOM 0 H LYS A 66 -10.613 -2.585 6.622 1.00 10.00 H new ATOM 0 HA LYS A 66 -12.164 -2.622 5.068 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -12.995 0.003 6.351 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -14.016 -1.013 5.354 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -13.702 -2.896 7.018 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -12.774 -1.808 8.032 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -14.772 -0.258 8.132 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -15.691 -1.425 7.202 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -14.401 -2.031 9.901 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -16.072 -1.544 9.703 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -15.871 -3.934 9.876 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -16.455 -3.512 8.339 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -14.836 -3.983 8.531 1.00 10.00 H new ATOM 1065 N ILE A 67 -10.453 -1.292 3.419 1.00 10.00 N ATOM 1066 CA ILE A 67 -10.061 -0.862 2.064 1.00 10.00 C ATOM 1067 C ILE A 67 -10.985 -1.515 1.021 1.00 10.00 C ATOM 1068 O ILE A 67 -11.442 -2.646 1.205 1.00 10.00 O ATOM 1069 CB ILE A 67 -8.564 -1.133 1.784 1.00 10.00 C ATOM 1070 CG1 ILE A 67 -7.713 -0.611 2.966 1.00 10.00 C ATOM 1071 CG2 ILE A 67 -8.136 -0.486 0.452 1.00 10.00 C ATOM 1072 CD1 ILE A 67 -6.205 -0.549 2.729 1.00 10.00 C ATOM 0 H ILE A 67 -9.763 -1.891 3.872 1.00 10.00 H new ATOM 0 HA ILE A 67 -10.184 0.219 1.991 1.00 10.00 H new ATOM 0 HB ILE A 67 -8.403 -2.207 1.691 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -8.062 0.389 3.225 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -7.899 -1.248 3.831 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -7.080 -0.688 0.272 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -8.729 -0.903 -0.362 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -8.296 0.591 0.503 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.711 -0.169 3.623 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -5.831 -1.548 2.505 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -5.996 0.114 1.890 1.00 10.00 H new ATOM 1084 N ASP A 68 -11.253 -0.815 -0.083 1.00 10.00 N ATOM 1085 CA ASP A 68 -12.161 -1.248 -1.148 1.00 10.00 C ATOM 1086 C ASP A 68 -11.560 -0.996 -2.542 1.00 10.00 C ATOM 1087 O ASP A 68 -10.923 0.032 -2.777 1.00 10.00 O ATOM 1088 CB ASP A 68 -13.499 -0.518 -0.967 1.00 10.00 C ATOM 1089 CG ASP A 68 -14.552 -1.025 -1.959 1.00 10.00 C ATOM 1090 OD1 ASP A 68 -14.582 -0.517 -3.100 1.00 10.00 O ATOM 1091 OD2 ASP A 68 -15.330 -1.943 -1.605 1.00 10.00 O ATOM 0 H ASP A 68 -10.832 0.096 -0.267 1.00 10.00 H new ATOM 0 HA ASP A 68 -12.321 -2.324 -1.078 1.00 10.00 H new ATOM 0 HB2 ASP A 68 -13.858 -0.661 0.052 1.00 10.00 H new ATOM 0 HB3 ASP A 68 -13.352 0.553 -1.106 1.00 10.00 H new ATOM 1096 N GLU A 69 -11.764 -1.931 -3.476 1.00 10.00 N ATOM 1097 CA GLU A 69 -11.211 -1.879 -4.841 1.00 10.00 C ATOM 1098 C GLU A 69 -11.681 -0.684 -5.697 1.00 10.00 C ATOM 1099 O GLU A 69 -11.071 -0.402 -6.733 1.00 10.00 O ATOM 1100 CB GLU A 69 -11.477 -3.206 -5.579 1.00 10.00 C ATOM 1101 CG GLU A 69 -12.967 -3.520 -5.781 1.00 10.00 C ATOM 1102 CD GLU A 69 -13.159 -4.606 -6.854 1.00 10.00 C ATOM 1103 OE1 GLU A 69 -13.118 -5.816 -6.522 1.00 10.00 O ATOM 1104 OE2 GLU A 69 -13.364 -4.245 -8.040 1.00 10.00 O ATOM 0 H GLU A 69 -12.329 -2.763 -3.305 1.00 10.00 H new ATOM 0 HA GLU A 69 -10.140 -1.726 -4.706 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -10.988 -3.173 -6.553 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -11.017 -4.020 -5.019 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -13.404 -3.853 -4.839 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -13.497 -2.614 -6.076 1.00 10.00 H new ATOM 1111 N LYS A 70 -12.732 0.036 -5.274 1.00 10.00 N ATOM 1112 CA LYS A 70 -13.248 1.250 -5.939 1.00 10.00 C ATOM 1113 C LYS A 70 -12.765 2.543 -5.258 1.00 10.00 C ATOM 1114 O LYS A 70 -13.128 3.639 -5.696 1.00 10.00 O ATOM 1115 CB LYS A 70 -14.790 1.219 -6.018 1.00 10.00 C ATOM 1116 CG LYS A 70 -15.430 -0.074 -6.558 1.00 10.00 C ATOM 1117 CD LYS A 70 -14.867 -0.558 -7.901 1.00 10.00 C ATOM 1118 CE LYS A 70 -15.719 -1.729 -8.411 1.00 10.00 C ATOM 1119 NZ LYS A 70 -15.019 -2.512 -9.460 1.00 10.00 N ATOM 0 H LYS A 70 -13.262 -0.214 -4.439 1.00 10.00 H new ATOM 0 HA LYS A 70 -12.844 1.252 -6.952 1.00 10.00 H new ATOM 0 HB2 LYS A 70 -15.185 1.403 -5.019 1.00 10.00 H new ATOM 0 HB3 LYS A 70 -15.115 2.048 -6.647 1.00 10.00 H new ATOM 0 HG2 LYS A 70 -15.298 -0.864 -5.819 1.00 10.00 H new ATOM 0 HG3 LYS A 70 -16.503 0.086 -6.666 1.00 10.00 H new ATOM 0 HD2 LYS A 70 -14.874 0.256 -8.626 1.00 10.00 H new ATOM 0 HD3 LYS A 70 -13.830 -0.871 -7.783 1.00 10.00 H new ATOM 0 HE2 LYS A 70 -15.971 -2.384 -7.577 1.00 10.00 H new ATOM 0 HE3 LYS A 70 -16.658 -1.347 -8.810 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 -15.706 -3.109 -9.964 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 -14.566 -1.862 -10.134 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 -14.295 -3.114 -9.019 1.00 10.00 H new ATOM 1133 N ASN A 71 -11.926 2.432 -4.225 1.00 10.00 N ATOM 1134 CA ASN A 71 -11.239 3.543 -3.556 1.00 10.00 C ATOM 1135 C ASN A 71 -9.705 3.385 -3.679 1.00 10.00 C ATOM 1136 O ASN A 71 -9.216 2.383 -4.210 1.00 10.00 O ATOM 1137 CB ASN A 71 -11.737 3.613 -2.095 1.00 10.00 C ATOM 1138 CG ASN A 71 -11.501 4.959 -1.423 1.00 10.00 C ATOM 1139 OD1 ASN A 71 -11.121 5.947 -2.036 1.00 10.00 O ATOM 1140 ND2 ASN A 71 -11.717 5.041 -0.133 1.00 10.00 N ATOM 0 H ASN A 71 -11.696 1.527 -3.813 1.00 10.00 H new ATOM 0 HA ASN A 71 -11.474 4.493 -4.035 1.00 10.00 H new ATOM 0 HB2 ASN A 71 -12.804 3.391 -2.075 1.00 10.00 H new ATOM 0 HB3 ASN A 71 -11.239 2.837 -1.515 1.00 10.00 H new ATOM 0 HD21 ASN A 71 -11.568 5.925 0.354 1.00 10.00 H new ATOM 0 HD22 ASN A 71 -12.034 4.221 0.384 1.00 10.00 H new ATOM 1147 N PHE A 72 -8.935 4.368 -3.203 1.00 10.00 N ATOM 1148 CA PHE A 72 -7.474 4.403 -3.349 1.00 10.00 C ATOM 1149 C PHE A 72 -6.720 4.794 -2.068 1.00 10.00 C ATOM 1150 O PHE A 72 -7.276 5.360 -1.128 1.00 10.00 O ATOM 1151 CB PHE A 72 -7.070 5.271 -4.554 1.00 10.00 C ATOM 1152 CG PHE A 72 -7.216 6.766 -4.367 1.00 10.00 C ATOM 1153 CD1 PHE A 72 -6.177 7.499 -3.765 1.00 10.00 C ATOM 1154 CD2 PHE A 72 -8.369 7.429 -4.824 1.00 10.00 C ATOM 1155 CE1 PHE A 72 -6.301 8.887 -3.597 1.00 10.00 C ATOM 1156 CE2 PHE A 72 -8.486 8.822 -4.668 1.00 10.00 C ATOM 1157 CZ PHE A 72 -7.458 9.551 -4.041 1.00 10.00 C ATOM 0 H PHE A 72 -9.311 5.171 -2.700 1.00 10.00 H new ATOM 0 HA PHE A 72 -7.162 3.377 -3.543 1.00 10.00 H new ATOM 0 HB2 PHE A 72 -6.031 5.055 -4.802 1.00 10.00 H new ATOM 0 HB3 PHE A 72 -7.671 4.971 -5.412 1.00 10.00 H new ATOM 0 HD1 PHE A 72 -5.283 6.993 -3.432 1.00 10.00 H new ATOM 0 HD2 PHE A 72 -9.164 6.869 -5.294 1.00 10.00 H new ATOM 0 HE1 PHE A 72 -5.506 9.446 -3.126 1.00 10.00 H new ATOM 0 HE2 PHE A 72 -9.366 9.333 -5.030 1.00 10.00 H new ATOM 0 HZ PHE A 72 -7.558 10.617 -3.901 1.00 10.00 H new ATOM 1167 N VAL A 73 -5.433 4.452 -2.064 1.00 10.00 N ATOM 1168 CA VAL A 73 -4.441 4.532 -0.981 1.00 10.00 C ATOM 1169 C VAL A 73 -3.243 5.334 -1.507 1.00 10.00 C ATOM 1170 O VAL A 73 -2.968 5.325 -2.705 1.00 10.00 O ATOM 1171 CB VAL A 73 -4.017 3.095 -0.589 1.00 10.00 C ATOM 1172 CG1 VAL A 73 -2.744 2.960 0.261 1.00 10.00 C ATOM 1173 CG2 VAL A 73 -5.128 2.361 0.166 1.00 10.00 C ATOM 0 H VAL A 73 -5.009 4.070 -2.909 1.00 10.00 H new ATOM 0 HA VAL A 73 -4.848 5.024 -0.097 1.00 10.00 H new ATOM 0 HB VAL A 73 -3.807 2.652 -1.563 1.00 10.00 H new ATOM 0 HG11 VAL A 73 -2.555 1.907 0.468 1.00 10.00 H new ATOM 0 HG12 VAL A 73 -1.898 3.381 -0.282 1.00 10.00 H new ATOM 0 HG13 VAL A 73 -2.875 3.497 1.201 1.00 10.00 H new ATOM 0 HG21 VAL A 73 -4.791 1.357 0.423 1.00 10.00 H new ATOM 0 HG22 VAL A 73 -5.370 2.907 1.078 1.00 10.00 H new ATOM 0 HG23 VAL A 73 -6.015 2.296 -0.464 1.00 10.00 H new ATOM 1183 N VAL A 74 -2.522 6.035 -0.638 1.00 10.00 N ATOM 1184 CA VAL A 74 -1.308 6.795 -0.984 1.00 10.00 C ATOM 1185 C VAL A 74 -0.075 6.105 -0.395 1.00 10.00 C ATOM 1186 O VAL A 74 -0.039 5.810 0.801 1.00 10.00 O ATOM 1187 CB VAL A 74 -1.409 8.255 -0.493 1.00 10.00 C ATOM 1188 CG1 VAL A 74 -0.180 9.076 -0.910 1.00 10.00 C ATOM 1189 CG2 VAL A 74 -2.650 8.958 -1.062 1.00 10.00 C ATOM 0 H VAL A 74 -2.764 6.097 0.351 1.00 10.00 H new ATOM 0 HA VAL A 74 -1.211 6.819 -2.069 1.00 10.00 H new ATOM 0 HB VAL A 74 -1.474 8.202 0.594 1.00 10.00 H new ATOM 0 HG11 VAL A 74 -0.285 10.099 -0.547 1.00 10.00 H new ATOM 0 HG12 VAL A 74 0.718 8.630 -0.482 1.00 10.00 H new ATOM 0 HG13 VAL A 74 -0.099 9.083 -1.997 1.00 10.00 H new ATOM 0 HG21 VAL A 74 -2.688 9.984 -0.695 1.00 10.00 H new ATOM 0 HG22 VAL A 74 -2.598 8.964 -2.151 1.00 10.00 H new ATOM 0 HG23 VAL A 74 -3.547 8.426 -0.745 1.00 10.00 H new ATOM 1199 N VAL A 75 0.944 5.875 -1.230 1.00 10.00 N ATOM 1200 CA VAL A 75 2.296 5.433 -0.833 1.00 10.00 C ATOM 1201 C VAL A 75 3.250 6.636 -0.810 1.00 10.00 C ATOM 1202 O VAL A 75 3.293 7.427 -1.754 1.00 10.00 O ATOM 1203 CB VAL A 75 2.854 4.320 -1.758 1.00 10.00 C ATOM 1204 CG1 VAL A 75 2.159 2.980 -1.501 1.00 10.00 C ATOM 1205 CG2 VAL A 75 2.747 4.597 -3.264 1.00 10.00 C ATOM 0 H VAL A 75 0.852 5.994 -2.239 1.00 10.00 H new ATOM 0 HA VAL A 75 2.219 5.004 0.166 1.00 10.00 H new ATOM 0 HB VAL A 75 3.912 4.293 -1.498 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.573 2.222 -2.166 1.00 10.00 H new ATOM 0 HG12 VAL A 75 2.318 2.681 -0.465 1.00 10.00 H new ATOM 0 HG13 VAL A 75 1.090 3.082 -1.689 1.00 10.00 H new ATOM 0 HG21 VAL A 75 3.165 3.757 -3.819 1.00 10.00 H new ATOM 0 HG22 VAL A 75 1.700 4.726 -3.537 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.300 5.504 -3.507 1.00 10.00 H new ATOM 1215 N MET A 76 4.009 6.792 0.279 1.00 10.00 N ATOM 1216 CA MET A 76 4.956 7.902 0.489 1.00 10.00 C ATOM 1217 C MET A 76 6.251 7.421 1.167 1.00 10.00 C ATOM 1218 O MET A 76 6.301 6.298 1.663 1.00 10.00 O ATOM 1219 CB MET A 76 4.256 9.042 1.254 1.00 10.00 C ATOM 1220 CG MET A 76 3.872 8.672 2.689 1.00 10.00 C ATOM 1221 SD MET A 76 2.814 9.891 3.514 1.00 10.00 S ATOM 1222 CE MET A 76 2.662 9.103 5.141 1.00 10.00 C ATOM 0 H MET A 76 3.985 6.137 1.060 1.00 10.00 H new ATOM 0 HA MET A 76 5.266 8.298 -0.478 1.00 10.00 H new ATOM 0 HB2 MET A 76 4.913 9.911 1.275 1.00 10.00 H new ATOM 0 HB3 MET A 76 3.358 9.335 0.710 1.00 10.00 H new ATOM 0 HG2 MET A 76 3.359 7.710 2.679 1.00 10.00 H new ATOM 0 HG3 MET A 76 4.782 8.542 3.275 1.00 10.00 H new ATOM 0 HE1 MET A 76 2.038 9.720 5.787 1.00 10.00 H new ATOM 0 HE2 MET A 76 2.206 8.119 5.028 1.00 10.00 H new ATOM 0 HE3 MET A 76 3.651 8.995 5.587 1.00 10.00 H new ATOM 1232 N VAL A 77 7.311 8.235 1.190 1.00 10.00 N ATOM 1233 CA VAL A 77 8.611 7.882 1.783 1.00 10.00 C ATOM 1234 C VAL A 77 9.102 8.895 2.815 1.00 10.00 C ATOM 1235 O VAL A 77 8.691 10.058 2.821 1.00 10.00 O ATOM 1236 CB VAL A 77 9.693 7.676 0.709 1.00 10.00 C ATOM 1237 CG1 VAL A 77 9.364 6.499 -0.209 1.00 10.00 C ATOM 1238 CG2 VAL A 77 9.982 8.939 -0.113 1.00 10.00 C ATOM 0 H VAL A 77 7.293 9.174 0.791 1.00 10.00 H new ATOM 0 HA VAL A 77 8.438 6.940 2.304 1.00 10.00 H new ATOM 0 HB VAL A 77 10.606 7.442 1.257 1.00 10.00 H new ATOM 0 HG11 VAL A 77 10.152 6.387 -0.953 1.00 10.00 H new ATOM 0 HG12 VAL A 77 9.290 5.586 0.382 1.00 10.00 H new ATOM 0 HG13 VAL A 77 8.414 6.684 -0.711 1.00 10.00 H new ATOM 0 HG21 VAL A 77 10.754 8.724 -0.852 1.00 10.00 H new ATOM 0 HG22 VAL A 77 9.072 9.258 -0.622 1.00 10.00 H new ATOM 0 HG23 VAL A 77 10.325 9.734 0.549 1.00 10.00 H new ATOM 1248 N THR A 78 10.032 8.447 3.658 1.00 10.00 N ATOM 1249 CA THR A 78 10.768 9.263 4.631 1.00 10.00 C ATOM 1250 C THR A 78 12.254 8.883 4.592 1.00 10.00 C ATOM 1251 O THR A 78 12.806 8.268 5.509 1.00 10.00 O ATOM 1252 CB THR A 78 10.175 9.143 6.052 1.00 10.00 C ATOM 1253 OG1 THR A 78 10.046 7.793 6.460 1.00 10.00 O ATOM 1254 CG2 THR A 78 8.781 9.763 6.162 1.00 10.00 C ATOM 0 H THR A 78 10.307 7.465 3.685 1.00 10.00 H new ATOM 0 HA THR A 78 10.669 10.313 4.355 1.00 10.00 H new ATOM 0 HB THR A 78 10.879 9.678 6.689 1.00 10.00 H new ATOM 0 HG1 THR A 78 10.900 7.329 6.331 1.00 10.00 H new ATOM 0 HG21 THR A 78 8.412 9.650 7.182 1.00 10.00 H new ATOM 0 HG22 THR A 78 8.833 10.822 5.910 1.00 10.00 H new ATOM 0 HG23 THR A 78 8.103 9.259 5.473 1.00 10.00 H new ATOM 1262 N LYS A 79 12.903 9.237 3.475 1.00 10.00 N ATOM 1263 CA LYS A 79 14.335 9.013 3.208 1.00 10.00 C ATOM 1264 C LYS A 79 15.249 9.788 4.185 1.00 10.00 C ATOM 1265 O LYS A 79 14.829 10.821 4.716 1.00 10.00 O ATOM 1266 CB LYS A 79 14.627 9.395 1.744 1.00 10.00 C ATOM 1267 CG LYS A 79 14.189 8.296 0.762 1.00 10.00 C ATOM 1268 CD LYS A 79 14.609 8.658 -0.669 1.00 10.00 C ATOM 1269 CE LYS A 79 14.302 7.516 -1.647 1.00 10.00 C ATOM 1270 NZ LYS A 79 14.789 7.836 -3.016 1.00 10.00 N ATOM 0 H LYS A 79 12.430 9.705 2.702 1.00 10.00 H new ATOM 0 HA LYS A 79 14.559 7.958 3.368 1.00 10.00 H new ATOM 0 HB2 LYS A 79 14.110 10.324 1.502 1.00 10.00 H new ATOM 0 HB3 LYS A 79 15.694 9.583 1.625 1.00 10.00 H new ATOM 0 HG2 LYS A 79 14.636 7.344 1.049 1.00 10.00 H new ATOM 0 HG3 LYS A 79 13.108 8.168 0.809 1.00 10.00 H new ATOM 0 HD2 LYS A 79 14.087 9.561 -0.986 1.00 10.00 H new ATOM 0 HD3 LYS A 79 15.676 8.882 -0.691 1.00 10.00 H new ATOM 0 HE2 LYS A 79 14.772 6.597 -1.296 1.00 10.00 H new ATOM 0 HE3 LYS A 79 13.227 7.335 -1.673 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 14.692 6.998 -3.624 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 14.227 8.617 -3.411 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 15.789 8.117 -2.972 1.00 10.00 H new ATOM 1284 N PRO A 80 16.510 9.351 4.389 1.00 10.00 N ATOM 1285 CA PRO A 80 17.461 9.990 5.313 1.00 10.00 C ATOM 1286 C PRO A 80 18.064 11.322 4.813 1.00 10.00 C ATOM 1287 O PRO A 80 18.813 11.968 5.552 1.00 10.00 O ATOM 1288 CB PRO A 80 18.550 8.934 5.545 1.00 10.00 C ATOM 1289 CG PRO A 80 18.571 8.157 4.232 1.00 10.00 C ATOM 1290 CD PRO A 80 17.097 8.133 3.837 1.00 10.00 C ATOM 0 HA PRO A 80 16.944 10.287 6.225 1.00 10.00 H new ATOM 0 HB2 PRO A 80 19.516 9.392 5.757 1.00 10.00 H new ATOM 0 HB3 PRO A 80 18.311 8.289 6.390 1.00 10.00 H new ATOM 0 HG2 PRO A 80 19.185 8.651 3.478 1.00 10.00 H new ATOM 0 HG3 PRO A 80 18.972 7.152 4.362 1.00 10.00 H new ATOM 0 HD2 PRO A 80 16.984 8.103 2.753 1.00 10.00 H new ATOM 0 HD3 PRO A 80 16.602 7.247 4.234 1.00 10.00 H new ATOM 1298 N LYS A 81 17.761 11.741 3.574 1.00 10.00 N ATOM 1299 CA LYS A 81 18.185 13.024 2.976 1.00 10.00 C ATOM 1300 C LYS A 81 17.730 14.261 3.770 1.00 10.00 C ATOM 1301 O LYS A 81 16.794 14.198 4.572 1.00 10.00 O ATOM 1302 CB LYS A 81 17.727 13.085 1.502 1.00 10.00 C ATOM 1303 CG LYS A 81 16.206 13.247 1.321 1.00 10.00 C ATOM 1304 CD LYS A 81 15.824 13.269 -0.166 1.00 10.00 C ATOM 1305 CE LYS A 81 14.322 13.540 -0.322 1.00 10.00 C ATOM 1306 NZ LYS A 81 13.925 13.627 -1.753 1.00 10.00 N ATOM 0 H LYS A 81 17.195 11.180 2.937 1.00 10.00 H new ATOM 0 HA LYS A 81 19.274 13.055 3.017 1.00 10.00 H new ATOM 0 HB2 LYS A 81 18.231 13.917 1.011 1.00 10.00 H new ATOM 0 HB3 LYS A 81 18.047 12.174 0.996 1.00 10.00 H new ATOM 0 HG2 LYS A 81 15.688 12.428 1.820 1.00 10.00 H new ATOM 0 HG3 LYS A 81 15.876 14.170 1.798 1.00 10.00 H new ATOM 0 HD2 LYS A 81 16.396 14.038 -0.685 1.00 10.00 H new ATOM 0 HD3 LYS A 81 16.079 12.316 -0.629 1.00 10.00 H new ATOM 0 HE2 LYS A 81 13.756 12.746 0.165 1.00 10.00 H new ATOM 0 HE3 LYS A 81 14.065 14.471 0.184 1.00 10.00 H new ATOM 0 HZ1 LYS A 81 12.904 13.811 -1.819 1.00 10.00 H new ATOM 0 HZ2 LYS A 81 14.447 14.401 -2.212 1.00 10.00 H new ATOM 0 HZ3 LYS A 81 14.147 12.730 -2.230 1.00 10.00 H new ATOM 1320 N ALA A 82 18.344 15.408 3.472 1.00 10.00 N ATOM 1321 CA ALA A 82 17.985 16.717 4.020 1.00 10.00 C ATOM 1322 C ALA A 82 17.742 17.715 2.873 1.00 10.00 C ATOM 1323 O ALA A 82 18.676 18.265 2.284 1.00 10.00 O ATOM 1324 CB ALA A 82 19.088 17.165 4.992 1.00 10.00 C ATOM 0 H ALA A 82 19.129 15.452 2.822 1.00 10.00 H new ATOM 0 HA ALA A 82 17.053 16.664 4.583 1.00 10.00 H new ATOM 0 HB1 ALA A 82 18.833 18.140 5.408 1.00 10.00 H new ATOM 0 HB2 ALA A 82 19.178 16.438 5.800 1.00 10.00 H new ATOM 0 HB3 ALA A 82 20.036 17.235 4.459 1.00 10.00 H new ATOM 1330 N VAL A 83 16.460 17.920 2.552 1.00 10.00 N ATOM 1331 CA VAL A 83 15.957 18.781 1.462 1.00 10.00 C ATOM 1332 C VAL A 83 14.703 19.533 1.939 1.00 10.00 C ATOM 1333 O VAL A 83 13.893 18.976 2.685 1.00 10.00 O ATOM 1334 CB VAL A 83 15.632 17.937 0.203 1.00 10.00 C ATOM 1335 CG1 VAL A 83 15.168 18.801 -0.980 1.00 10.00 C ATOM 1336 CG2 VAL A 83 16.844 17.130 -0.290 1.00 10.00 C ATOM 0 H VAL A 83 15.703 17.470 3.067 1.00 10.00 H new ATOM 0 HA VAL A 83 16.730 19.502 1.196 1.00 10.00 H new ATOM 0 HB VAL A 83 14.832 17.269 0.523 1.00 10.00 H new ATOM 0 HG11 VAL A 83 14.953 18.161 -1.836 1.00 10.00 H new ATOM 0 HG12 VAL A 83 14.267 19.347 -0.700 1.00 10.00 H new ATOM 0 HG13 VAL A 83 15.954 19.509 -1.244 1.00 10.00 H new ATOM 0 HG21 VAL A 83 16.564 16.556 -1.173 1.00 10.00 H new ATOM 0 HG22 VAL A 83 17.657 17.811 -0.542 1.00 10.00 H new ATOM 0 HG23 VAL A 83 17.172 16.449 0.496 1.00 10.00 H new ATOM 1346 N SER A 84 14.525 20.779 1.485 1.00 10.00 N ATOM 1347 CA SER A 84 13.398 21.658 1.844 1.00 10.00 C ATOM 1348 C SER A 84 12.748 22.266 0.589 1.00 10.00 C ATOM 1349 O SER A 84 13.452 22.816 -0.261 1.00 10.00 O ATOM 1350 CB SER A 84 13.886 22.792 2.760 1.00 10.00 C ATOM 1351 OG SER A 84 14.392 22.276 3.984 1.00 10.00 O ATOM 0 H SER A 84 15.179 21.220 0.838 1.00 10.00 H new ATOM 0 HA SER A 84 12.655 21.054 2.366 1.00 10.00 H new ATOM 0 HB2 SER A 84 14.663 23.364 2.254 1.00 10.00 H new ATOM 0 HB3 SER A 84 13.065 23.479 2.963 1.00 10.00 H new ATOM 0 HG SER A 84 14.698 23.016 4.549 1.00 10.00 H new ATOM 1357 N THR A 85 11.420 22.228 0.415 1.00 10.00 N ATOM 1358 CA THR A 85 10.385 21.548 1.230 1.00 10.00 C ATOM 1359 C THR A 85 9.162 21.172 0.377 1.00 10.00 C ATOM 1360 O THR A 85 8.640 20.045 0.545 1.00 10.00 O ATOM 1361 CB THR A 85 9.992 22.405 2.448 1.00 10.00 C ATOM 1362 OG1 THR A 85 9.136 21.679 3.302 1.00 10.00 O ATOM 1363 CG2 THR A 85 9.315 23.738 2.115 1.00 10.00 C ATOM 1364 OXT THR A 85 8.773 21.960 -0.518 1.00 10.00 O ATOM 0 H THR A 85 10.995 22.717 -0.373 1.00 10.00 H new ATOM 0 HA THR A 85 10.810 20.618 1.608 1.00 10.00 H new ATOM 0 HB THR A 85 10.940 22.645 2.929 1.00 10.00 H new ATOM 0 HG1 THR A 85 8.895 22.234 4.073 1.00 10.00 H new ATOM 0 HG21 THR A 85 9.078 24.266 3.038 1.00 10.00 H new ATOM 0 HG22 THR A 85 9.988 24.347 1.511 1.00 10.00 H new ATOM 0 HG23 THR A 85 8.397 23.551 1.558 1.00 10.00 H new TER 1372 THR A 85