USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 893 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 99 GLN : amide:sc= 0.884 K(o=1.4,f=0.56) USER MOD Set 1.2: A 100 CYS SG : rot 12:sc= 0.484 USER MOD Set 2.1: A 65 GLN :FLIP amide:sc= -0.324 F(o=0.092,f=0.65) USER MOD Set 2.2: A 86 GLN :FLIP amide:sc= 0.405 F(o=0.092,f=0.65) USER MOD Set 2.3: A 88 THR OG1 : rot 180:sc= 0.568 USER MOD Set 3.1: A 71 TYR OH : rot -165:sc= 0.677 USER MOD Set 3.2: A 85 THR OG1 : rot -94:sc= 0.629 USER MOD Set 3.3: A 105 ASN : amide:sc= -1.65! X(o=-0.34!,f=-0.61) USER MOD Set 4.1: A 10 SER OG : rot 161:sc=-0.000522 USER MOD Set 4.2: A 12 HIS : no HE2:sc= -0.747 K(o=-5.2,f=-13!) USER MOD Set 4.3: A 16 MET CE :methyl 175:sc= -3.35! (180deg=-2.87!) USER MOD Set 4.4: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 4.5: A 53 MET CE :methyl -163:sc= -0.101 (180deg=-0.54) USER MOD Set 4.6: A 57 HIS : no HD1:sc= 0.275 K(o=-5.2,f=-6.9) USER MOD Set 4.7: A 103 CYS SG : rot -150:sc= -1.29 USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0229 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 6 LYS NZ :NH3+ -113:sc= 0.123 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -95:sc= 0.551 USER MOD Single : A 13 SER OG : rot 170:sc= 0.189 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= 1.2 (180deg=0.987) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -8:sc= -2.25 USER MOD Single : A 26 THR OG1 : rot -79:sc= 0.558 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.204 F(o=-1.7,f=-0.2) USER MOD Single : A 40 SER OG : rot 180:sc= 0.1 USER MOD Single : A 42 TYR OH : rot -9:sc= 0.292 USER MOD Single : A 46 HIS :FLIP no HE2:sc= -6.52! C(o=-8.2!,f=-6.5!) USER MOD Single : A 50 SER OG : rot 77:sc= 0.202 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.0837 F(o=-0.68,f=-0.084) USER MOD Single : A 54 THR OG1 : rot 63:sc= 0.336 USER MOD Single : A 55 LYS NZ :NH3+ -134:sc= -0.18 (180deg=-0.696) USER MOD Single : A 56 SER OG : rot 73:sc= 0.991 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 59 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.018) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -174:sc= 1.37 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl -126:sc= 0 (180deg=-1.14) USER MOD Single : A 76 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0083) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.0386 F(o=-1.9!,f=-0.039) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= -0.325 USER MOD Single : A 92 ASN : amide:sc= 0.848 K(o=0.85,f=-5.6!) USER MOD Single : A 95 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.3!) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 MET CE :methyl 153:sc= -0.322 (180deg=-1.19) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -174:sc=-0.00318 (180deg=-0.0621) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.166 6.024 -17.033 1.00 8.25 N ATOM 2 CA GLY A 1 -5.847 7.348 -16.454 1.00 7.69 C ATOM 3 C GLY A 1 -6.124 7.387 -14.969 1.00 7.07 C ATOM 4 O GLY A 1 -7.034 6.707 -14.489 1.00 7.20 O ATOM 0 H1 GLY A 1 -5.284 5.528 -17.272 1.00 8.25 H new ATOM 0 H2 GLY A 1 -6.702 5.463 -16.341 1.00 8.25 H new ATOM 0 H3 GLY A 1 -6.736 6.150 -17.893 1.00 8.25 H new ATOM 0 HA2 GLY A 1 -4.798 7.582 -16.635 1.00 7.69 H new ATOM 0 HA3 GLY A 1 -6.436 8.116 -16.955 1.00 7.69 H new ATOM 10 N ALA A 2 -5.343 8.173 -14.234 1.00 6.74 N ATOM 11 CA ALA A 2 -5.532 8.309 -12.794 1.00 6.50 C ATOM 12 C ALA A 2 -6.755 9.171 -12.486 1.00 5.63 C ATOM 13 O ALA A 2 -6.629 10.346 -12.138 1.00 5.72 O ATOM 14 CB ALA A 2 -4.288 8.890 -12.138 1.00 7.23 C ATOM 0 H ALA A 2 -4.573 8.725 -14.612 1.00 6.74 H new ATOM 0 HA ALA A 2 -5.703 7.315 -12.381 1.00 6.50 H new ATOM 0 HB1 ALA A 2 -4.452 8.982 -11.064 1.00 7.23 H new ATOM 0 HB2 ALA A 2 -3.439 8.231 -12.320 1.00 7.23 H new ATOM 0 HB3 ALA A 2 -4.080 9.874 -12.559 1.00 7.23 H new ATOM 20 N MET A 3 -7.930 8.576 -12.642 1.00 5.15 N ATOM 21 CA MET A 3 -9.195 9.254 -12.387 1.00 4.60 C ATOM 22 C MET A 3 -10.336 8.251 -12.475 1.00 3.69 C ATOM 23 O MET A 3 -11.151 8.146 -11.561 1.00 3.99 O ATOM 24 CB MET A 3 -9.422 10.396 -13.382 1.00 5.41 C ATOM 25 CG MET A 3 -10.699 11.169 -13.140 1.00 6.28 C ATOM 26 SD MET A 3 -10.853 12.609 -14.214 1.00 7.11 S ATOM 27 CE MET A 3 -12.480 13.195 -13.753 1.00 7.93 C ATOM 0 H MET A 3 -8.034 7.609 -12.949 1.00 5.15 H new ATOM 0 HA MET A 3 -9.161 9.684 -11.386 1.00 4.60 H new ATOM 0 HB2 MET A 3 -8.577 11.083 -13.332 1.00 5.41 H new ATOM 0 HB3 MET A 3 -9.441 9.987 -14.392 1.00 5.41 H new ATOM 0 HG2 MET A 3 -11.553 10.510 -13.297 1.00 6.28 H new ATOM 0 HG3 MET A 3 -10.732 11.491 -12.099 1.00 6.28 H new ATOM 0 HE1 MET A 3 -12.724 14.086 -14.332 1.00 7.93 H new ATOM 0 HE2 MET A 3 -13.217 12.418 -13.955 1.00 7.93 H new ATOM 0 HE3 MET A 3 -12.491 13.439 -12.691 1.00 7.93 H new ATOM 37 N ASP A 4 -10.387 7.513 -13.583 1.00 3.10 N ATOM 38 CA ASP A 4 -11.361 6.435 -13.738 1.00 2.74 C ATOM 39 C ASP A 4 -11.035 5.334 -12.749 1.00 2.19 C ATOM 40 O ASP A 4 -11.892 4.881 -11.989 1.00 2.83 O ATOM 41 CB ASP A 4 -11.350 5.879 -15.161 1.00 3.07 C ATOM 42 CG ASP A 4 -11.762 6.909 -16.186 1.00 3.89 C ATOM 43 OD1 ASP A 4 -12.963 7.238 -16.256 1.00 4.39 O ATOM 44 OD2 ASP A 4 -10.882 7.410 -16.914 1.00 4.39 O ATOM 0 H ASP A 4 -9.768 7.641 -14.383 1.00 3.10 H new ATOM 0 HA ASP A 4 -12.358 6.831 -13.544 1.00 2.74 H new ATOM 0 HB2 ASP A 4 -10.350 5.515 -15.398 1.00 3.07 H new ATOM 0 HB3 ASP A 4 -12.023 5.024 -15.219 1.00 3.07 H new ATOM 49 N SER A 5 -9.789 4.903 -12.779 1.00 1.51 N ATOM 50 CA SER A 5 -9.249 4.073 -11.729 1.00 1.13 C ATOM 51 C SER A 5 -8.627 4.988 -10.683 1.00 0.89 C ATOM 52 O SER A 5 -7.910 5.933 -11.025 1.00 1.67 O ATOM 53 CB SER A 5 -8.220 3.098 -12.303 1.00 1.29 C ATOM 54 OG SER A 5 -7.363 3.751 -13.226 1.00 1.99 O ATOM 0 H SER A 5 -9.130 5.118 -13.527 1.00 1.51 H new ATOM 0 HA SER A 5 -10.034 3.475 -11.267 1.00 1.13 H new ATOM 0 HB2 SER A 5 -7.630 2.668 -11.494 1.00 1.29 H new ATOM 0 HB3 SER A 5 -8.732 2.272 -12.797 1.00 1.29 H new ATOM 0 HG SER A 5 -6.712 3.109 -13.579 1.00 1.99 H new ATOM 60 N LYS A 6 -8.894 4.727 -9.416 1.00 0.74 N ATOM 61 CA LYS A 6 -8.473 5.645 -8.373 1.00 0.49 C ATOM 62 C LYS A 6 -7.033 5.344 -7.988 1.00 0.39 C ATOM 63 O LYS A 6 -6.759 4.410 -7.243 1.00 0.48 O ATOM 64 CB LYS A 6 -9.383 5.550 -7.142 1.00 0.68 C ATOM 65 CG LYS A 6 -10.870 5.738 -7.429 1.00 0.95 C ATOM 66 CD LYS A 6 -11.538 4.425 -7.813 1.00 1.62 C ATOM 67 CE LYS A 6 -13.044 4.575 -7.976 1.00 2.01 C ATOM 68 NZ LYS A 6 -13.708 3.261 -8.201 1.00 2.61 N ATOM 0 H LYS A 6 -9.393 3.900 -9.087 1.00 0.74 H new ATOM 0 HA LYS A 6 -8.546 6.662 -8.758 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -9.238 4.576 -6.675 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -9.069 6.301 -6.417 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -11.361 6.153 -6.549 1.00 0.95 H new ATOM 0 HG3 LYS A 6 -10.997 6.461 -8.235 1.00 0.95 H new ATOM 0 HD2 LYS A 6 -11.108 4.059 -8.745 1.00 1.62 H new ATOM 0 HD3 LYS A 6 -11.329 3.676 -7.049 1.00 1.62 H new ATOM 0 HE2 LYS A 6 -13.461 5.046 -7.086 1.00 2.01 H new ATOM 0 HE3 LYS A 6 -13.255 5.238 -8.815 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 -14.096 3.229 -9.165 1.00 2.61 H new ATOM 0 HZ2 LYS A 6 -13.013 2.496 -8.082 1.00 2.61 H new ATOM 0 HZ3 LYS A 6 -14.479 3.139 -7.513 1.00 2.61 H new ATOM 82 N THR A 7 -6.117 6.143 -8.502 1.00 0.30 N ATOM 83 CA THR A 7 -4.708 5.852 -8.372 1.00 0.27 C ATOM 84 C THR A 7 -4.035 6.882 -7.483 1.00 0.21 C ATOM 85 O THR A 7 -4.105 8.081 -7.749 1.00 0.22 O ATOM 86 CB THR A 7 -4.035 5.851 -9.759 1.00 0.33 C ATOM 87 OG1 THR A 7 -4.742 4.974 -10.646 1.00 0.43 O ATOM 88 CG2 THR A 7 -2.581 5.420 -9.670 1.00 0.34 C ATOM 0 H THR A 7 -6.327 7.000 -9.014 1.00 0.30 H new ATOM 0 HA THR A 7 -4.601 4.866 -7.919 1.00 0.27 H new ATOM 0 HB THR A 7 -4.066 6.870 -10.146 1.00 0.33 H new ATOM 0 HG1 THR A 7 -4.310 4.094 -10.649 1.00 0.43 H new ATOM 0 HG21 THR A 7 -2.137 5.430 -10.665 1.00 0.34 H new ATOM 0 HG22 THR A 7 -2.037 6.107 -9.023 1.00 0.34 H new ATOM 0 HG23 THR A 7 -2.525 4.412 -9.258 1.00 0.34 H new ATOM 96 N PHE A 8 -3.388 6.418 -6.430 1.00 0.19 N ATOM 97 CA PHE A 8 -2.667 7.317 -5.555 1.00 0.18 C ATOM 98 C PHE A 8 -1.252 6.807 -5.300 1.00 0.19 C ATOM 99 O PHE A 8 -1.037 5.611 -5.077 1.00 0.22 O ATOM 100 CB PHE A 8 -3.450 7.524 -4.246 1.00 0.21 C ATOM 101 CG PHE A 8 -3.132 6.559 -3.132 1.00 0.23 C ATOM 102 CD1 PHE A 8 -3.697 5.293 -3.115 1.00 0.30 C ATOM 103 CD2 PHE A 8 -2.252 6.907 -2.118 1.00 0.27 C ATOM 104 CE1 PHE A 8 -3.396 4.396 -2.110 1.00 0.38 C ATOM 105 CE2 PHE A 8 -1.945 6.011 -1.110 1.00 0.36 C ATOM 106 CZ PHE A 8 -2.572 4.804 -1.047 1.00 0.40 C ATOM 0 H PHE A 8 -3.348 5.434 -6.163 1.00 0.19 H new ATOM 0 HA PHE A 8 -2.573 8.287 -6.043 1.00 0.18 H new ATOM 0 HB2 PHE A 8 -3.263 8.537 -3.889 1.00 0.21 H new ATOM 0 HB3 PHE A 8 -4.515 7.456 -4.467 1.00 0.21 H new ATOM 0 HD1 PHE A 8 -4.382 5.005 -3.899 1.00 0.30 H new ATOM 0 HD2 PHE A 8 -1.801 7.889 -2.115 1.00 0.27 H new ATOM 0 HE1 PHE A 8 -3.790 3.391 -2.140 1.00 0.38 H new ATOM 0 HE2 PHE A 8 -1.204 6.270 -0.369 1.00 0.36 H new ATOM 0 HZ PHE A 8 -2.437 4.165 -0.187 1.00 0.40 H new ATOM 116 N LEU A 9 -0.288 7.713 -5.387 1.00 0.18 N ATOM 117 CA LEU A 9 1.108 7.382 -5.142 1.00 0.20 C ATOM 118 C LEU A 9 1.318 7.114 -3.654 1.00 0.20 C ATOM 119 O LEU A 9 0.777 7.820 -2.803 1.00 0.33 O ATOM 120 CB LEU A 9 2.006 8.535 -5.631 1.00 0.22 C ATOM 121 CG LEU A 9 3.492 8.204 -5.862 1.00 0.27 C ATOM 122 CD1 LEU A 9 4.262 8.131 -4.553 1.00 0.30 C ATOM 123 CD2 LEU A 9 3.632 6.900 -6.633 1.00 0.37 C ATOM 0 H LEU A 9 -0.450 8.691 -5.628 1.00 0.18 H new ATOM 0 HA LEU A 9 1.377 6.481 -5.693 1.00 0.20 H new ATOM 0 HB2 LEU A 9 1.593 8.915 -6.565 1.00 0.22 H new ATOM 0 HB3 LEU A 9 1.947 9.344 -4.903 1.00 0.22 H new ATOM 0 HG LEU A 9 3.922 9.013 -6.453 1.00 0.27 H new ATOM 0 HD11 LEU A 9 5.306 7.895 -4.758 1.00 0.30 H new ATOM 0 HD12 LEU A 9 4.200 9.091 -4.041 1.00 0.30 H new ATOM 0 HD13 LEU A 9 3.832 7.354 -3.921 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.688 6.681 -6.788 1.00 0.37 H new ATOM 0 HD22 LEU A 9 3.173 6.091 -6.065 1.00 0.37 H new ATOM 0 HD23 LEU A 9 3.135 6.993 -7.599 1.00 0.37 H new ATOM 135 N SER A 10 2.091 6.094 -3.345 1.00 0.32 N ATOM 136 CA SER A 10 2.328 5.722 -1.968 1.00 0.32 C ATOM 137 C SER A 10 3.785 5.352 -1.760 1.00 0.28 C ATOM 138 O SER A 10 4.484 4.959 -2.700 1.00 0.29 O ATOM 139 CB SER A 10 1.425 4.553 -1.571 1.00 0.41 C ATOM 140 OG SER A 10 1.681 4.127 -0.246 1.00 1.10 O ATOM 0 H SER A 10 2.566 5.507 -4.031 1.00 0.32 H new ATOM 0 HA SER A 10 2.093 6.578 -1.335 1.00 0.32 H new ATOM 0 HB2 SER A 10 0.381 4.851 -1.663 1.00 0.41 H new ATOM 0 HB3 SER A 10 1.581 3.722 -2.258 1.00 0.41 H new ATOM 0 HG SER A 10 0.920 3.605 0.083 1.00 1.10 H new ATOM 146 N ARG A 11 4.227 5.468 -0.523 1.00 0.28 N ATOM 147 CA ARG A 11 5.581 5.106 -0.165 1.00 0.30 C ATOM 148 C ARG A 11 5.567 4.213 1.055 1.00 0.21 C ATOM 149 O ARG A 11 4.938 4.526 2.068 1.00 0.21 O ATOM 150 CB ARG A 11 6.441 6.339 0.104 1.00 0.51 C ATOM 151 CG ARG A 11 6.648 7.217 -1.119 1.00 0.99 C ATOM 152 CD ARG A 11 8.000 6.955 -1.758 1.00 1.00 C ATOM 153 NE ARG A 11 9.094 7.468 -0.930 1.00 1.28 N ATOM 154 CZ ARG A 11 10.317 7.742 -1.384 1.00 1.70 C ATOM 155 NH1 ARG A 11 10.614 7.551 -2.665 1.00 1.99 N ATOM 156 NH2 ARG A 11 11.239 8.220 -0.552 1.00 2.46 N ATOM 0 H ARG A 11 3.663 5.812 0.254 1.00 0.28 H new ATOM 0 HA ARG A 11 6.019 4.571 -1.008 1.00 0.30 H new ATOM 0 HB2 ARG A 11 5.975 6.932 0.891 1.00 0.51 H new ATOM 0 HB3 ARG A 11 7.413 6.019 0.479 1.00 0.51 H new ATOM 0 HG2 ARG A 11 5.857 7.028 -1.844 1.00 0.99 H new ATOM 0 HG3 ARG A 11 6.574 8.266 -0.834 1.00 0.99 H new ATOM 0 HD2 ARG A 11 8.130 5.884 -1.911 1.00 1.00 H new ATOM 0 HD3 ARG A 11 8.036 7.424 -2.741 1.00 1.00 H new ATOM 0 HE ARG A 11 8.908 7.626 0.060 1.00 1.28 H new ATOM 0 HH11 ARG A 11 9.905 7.193 -3.305 1.00 1.99 H new ATOM 0 HH12 ARG A 11 11.551 7.762 -3.008 1.00 1.99 H new ATOM 0 HH21 ARG A 11 11.009 8.376 0.429 1.00 2.46 H new ATOM 0 HH22 ARG A 11 12.176 8.431 -0.896 1.00 2.46 H new ATOM 170 N HIS A 12 6.221 3.084 0.934 1.00 0.25 N ATOM 171 CA HIS A 12 6.407 2.185 2.051 1.00 0.32 C ATOM 172 C HIS A 12 7.862 2.286 2.480 1.00 0.32 C ATOM 173 O HIS A 12 8.714 2.626 1.673 1.00 0.36 O ATOM 174 CB HIS A 12 6.078 0.737 1.656 1.00 0.36 C ATOM 175 CG HIS A 12 4.672 0.494 1.159 1.00 0.41 C ATOM 176 ND1 HIS A 12 4.077 -0.751 1.205 1.00 0.89 N ATOM 177 CD2 HIS A 12 3.760 1.315 0.571 1.00 0.41 C ATOM 178 CE1 HIS A 12 2.873 -0.688 0.675 1.00 0.86 C ATOM 179 NE2 HIS A 12 2.654 0.553 0.284 1.00 0.51 N ATOM 0 H HIS A 12 6.639 2.761 0.062 1.00 0.25 H new ATOM 0 HA HIS A 12 5.738 2.462 2.865 1.00 0.32 H new ATOM 0 HB2 HIS A 12 6.777 0.424 0.880 1.00 0.36 H new ATOM 0 HB3 HIS A 12 6.254 0.096 2.520 1.00 0.36 H new ATOM 0 HD1 HIS A 12 4.505 -1.592 1.591 1.00 0.89 H new ATOM 0 HD2 HIS A 12 3.883 2.369 0.368 1.00 0.41 H new ATOM 0 HE1 HIS A 12 2.182 -1.512 0.577 1.00 0.86 H new ATOM 188 N SER A 13 8.150 2.043 3.736 1.00 0.32 N ATOM 189 CA SER A 13 9.526 2.032 4.193 1.00 0.35 C ATOM 190 C SER A 13 10.143 0.650 3.995 1.00 0.43 C ATOM 191 O SER A 13 9.459 -0.276 3.558 1.00 0.91 O ATOM 192 CB SER A 13 9.561 2.442 5.665 1.00 0.68 C ATOM 193 OG SER A 13 8.486 1.843 6.376 1.00 1.70 O ATOM 0 H SER A 13 7.457 1.851 4.459 1.00 0.32 H new ATOM 0 HA SER A 13 10.114 2.741 3.610 1.00 0.35 H new ATOM 0 HB2 SER A 13 10.510 2.142 6.109 1.00 0.68 H new ATOM 0 HB3 SER A 13 9.499 3.527 5.748 1.00 0.68 H new ATOM 0 HG SER A 13 8.613 1.981 7.338 1.00 1.70 H new ATOM 199 N MET A 14 11.440 0.530 4.269 1.00 0.27 N ATOM 200 CA MET A 14 12.119 -0.768 4.318 1.00 0.36 C ATOM 201 C MET A 14 11.310 -1.772 5.133 1.00 0.33 C ATOM 202 O MET A 14 11.028 -2.886 4.682 1.00 0.40 O ATOM 203 CB MET A 14 13.503 -0.592 4.947 1.00 0.56 C ATOM 204 CG MET A 14 14.251 -1.890 5.177 1.00 1.35 C ATOM 205 SD MET A 14 15.848 -1.624 5.967 1.00 1.76 S ATOM 206 CE MET A 14 16.442 -3.308 6.088 1.00 2.75 C ATOM 0 H MET A 14 12.050 1.324 4.463 1.00 0.27 H new ATOM 0 HA MET A 14 12.218 -1.150 3.302 1.00 0.36 H new ATOM 0 HB2 MET A 14 14.103 0.051 4.303 1.00 0.56 H new ATOM 0 HB3 MET A 14 13.393 -0.075 5.900 1.00 0.56 H new ATOM 0 HG2 MET A 14 13.646 -2.551 5.798 1.00 1.35 H new ATOM 0 HG3 MET A 14 14.399 -2.396 4.223 1.00 1.35 H new ATOM 0 HE1 MET A 14 17.425 -3.314 6.558 1.00 2.75 H new ATOM 0 HE2 MET A 14 15.749 -3.896 6.689 1.00 2.75 H new ATOM 0 HE3 MET A 14 16.514 -3.741 5.090 1.00 2.75 H new ATOM 216 N ASP A 15 10.910 -1.341 6.321 1.00 0.36 N ATOM 217 CA ASP A 15 10.110 -2.153 7.225 1.00 0.41 C ATOM 218 C ASP A 15 8.655 -2.176 6.758 1.00 0.34 C ATOM 219 O ASP A 15 7.894 -3.086 7.089 1.00 0.41 O ATOM 220 CB ASP A 15 10.240 -1.582 8.642 1.00 0.56 C ATOM 221 CG ASP A 15 9.051 -1.869 9.532 1.00 1.18 C ATOM 222 OD1 ASP A 15 8.907 -3.037 9.963 1.00 2.07 O ATOM 223 OD2 ASP A 15 8.239 -0.954 9.763 1.00 1.49 O ATOM 0 H ASP A 15 11.132 -0.415 6.686 1.00 0.36 H new ATOM 0 HA ASP A 15 10.467 -3.183 7.228 1.00 0.41 H new ATOM 0 HB2 ASP A 15 11.136 -1.992 9.107 1.00 0.56 H new ATOM 0 HB3 ASP A 15 10.380 -0.503 8.577 1.00 0.56 H new ATOM 228 N MET A 16 8.310 -1.176 5.948 1.00 0.29 N ATOM 229 CA MET A 16 6.995 -1.059 5.332 1.00 0.35 C ATOM 230 C MET A 16 5.878 -0.845 6.347 1.00 0.37 C ATOM 231 O MET A 16 5.114 -1.764 6.640 1.00 0.69 O ATOM 232 CB MET A 16 6.693 -2.288 4.465 1.00 0.49 C ATOM 233 CG MET A 16 5.385 -2.186 3.696 1.00 0.67 C ATOM 234 SD MET A 16 5.220 -3.438 2.409 1.00 0.73 S ATOM 235 CE MET A 16 6.652 -3.072 1.398 1.00 0.48 C ATOM 0 H MET A 16 8.945 -0.417 5.700 1.00 0.29 H new ATOM 0 HA MET A 16 7.027 -0.169 4.703 1.00 0.35 H new ATOM 0 HB2 MET A 16 7.510 -2.433 3.758 1.00 0.49 H new ATOM 0 HB3 MET A 16 6.662 -3.172 5.102 1.00 0.49 H new ATOM 0 HG2 MET A 16 4.553 -2.279 4.393 1.00 0.67 H new ATOM 0 HG3 MET A 16 5.313 -1.197 3.244 1.00 0.67 H new ATOM 0 HE1 MET A 16 6.740 -3.818 0.608 1.00 0.48 H new ATOM 0 HE2 MET A 16 6.540 -2.083 0.953 1.00 0.48 H new ATOM 0 HE3 MET A 16 7.549 -3.091 2.017 1.00 0.48 H new ATOM 245 N LYS A 17 5.782 0.354 6.912 1.00 0.31 N ATOM 246 CA LYS A 17 4.586 0.707 7.653 1.00 0.31 C ATOM 247 C LYS A 17 3.715 1.659 6.830 1.00 0.27 C ATOM 248 O LYS A 17 2.562 1.365 6.603 1.00 0.29 O ATOM 249 CB LYS A 17 4.906 1.276 9.042 1.00 0.42 C ATOM 250 CG LYS A 17 5.993 2.334 9.074 1.00 0.59 C ATOM 251 CD LYS A 17 6.156 2.912 10.475 1.00 0.70 C ATOM 252 CE LYS A 17 6.241 1.824 11.543 1.00 0.98 C ATOM 253 NZ LYS A 17 7.487 1.017 11.444 1.00 1.40 N ATOM 0 H LYS A 17 6.500 1.078 6.871 1.00 0.31 H new ATOM 0 HA LYS A 17 4.020 -0.208 7.828 1.00 0.31 H new ATOM 0 HB2 LYS A 17 3.994 1.702 9.461 1.00 0.42 H new ATOM 0 HB3 LYS A 17 5.202 0.454 9.694 1.00 0.42 H new ATOM 0 HG2 LYS A 17 6.937 1.900 8.744 1.00 0.59 H new ATOM 0 HG3 LYS A 17 5.748 3.133 8.374 1.00 0.59 H new ATOM 0 HD2 LYS A 17 7.057 3.525 10.511 1.00 0.70 H new ATOM 0 HD3 LYS A 17 5.315 3.569 10.695 1.00 0.70 H new ATOM 0 HE2 LYS A 17 6.189 2.284 12.530 1.00 0.98 H new ATOM 0 HE3 LYS A 17 5.378 1.164 11.453 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 7.611 0.462 12.315 1.00 1.40 H new ATOM 0 HZ2 LYS A 17 7.420 0.374 10.630 1.00 1.40 H new ATOM 0 HZ3 LYS A 17 8.302 1.651 11.319 1.00 1.40 H new ATOM 267 N PHE A 18 4.294 2.788 6.397 1.00 0.29 N ATOM 268 CA PHE A 18 3.677 3.735 5.438 1.00 0.30 C ATOM 269 C PHE A 18 4.331 5.102 5.624 1.00 0.38 C ATOM 270 O PHE A 18 4.127 5.756 6.637 1.00 0.68 O ATOM 271 CB PHE A 18 2.148 3.874 5.608 1.00 0.27 C ATOM 272 CG PHE A 18 1.339 3.306 4.458 1.00 0.30 C ATOM 273 CD1 PHE A 18 1.076 4.065 3.319 1.00 0.40 C ATOM 274 CD2 PHE A 18 0.841 2.013 4.514 1.00 0.32 C ATOM 275 CE1 PHE A 18 0.340 3.545 2.270 1.00 0.46 C ATOM 276 CE2 PHE A 18 0.105 1.493 3.466 1.00 0.38 C ATOM 277 CZ PHE A 18 -0.152 2.271 2.343 1.00 0.44 C ATOM 0 H PHE A 18 5.221 3.080 6.705 1.00 0.29 H new ATOM 0 HA PHE A 18 3.843 3.340 4.436 1.00 0.30 H new ATOM 0 HB2 PHE A 18 1.849 3.374 6.529 1.00 0.27 H new ATOM 0 HB3 PHE A 18 1.901 4.929 5.724 1.00 0.27 H new ATOM 0 HD1 PHE A 18 1.453 5.075 3.255 1.00 0.40 H new ATOM 0 HD2 PHE A 18 1.030 1.405 5.387 1.00 0.32 H new ATOM 0 HE1 PHE A 18 0.154 4.146 1.392 1.00 0.46 H new ATOM 0 HE2 PHE A 18 -0.271 0.482 3.520 1.00 0.38 H new ATOM 0 HZ PHE A 18 -0.739 1.870 1.530 1.00 0.44 H new ATOM 287 N THR A 19 5.145 5.511 4.666 1.00 0.21 N ATOM 288 CA THR A 19 5.916 6.743 4.797 1.00 0.23 C ATOM 289 C THR A 19 5.358 7.885 3.950 1.00 0.22 C ATOM 290 O THR A 19 5.676 9.050 4.193 1.00 0.26 O ATOM 291 CB THR A 19 7.394 6.510 4.442 1.00 0.30 C ATOM 292 OG1 THR A 19 7.491 5.710 3.257 1.00 0.63 O ATOM 293 CG2 THR A 19 8.124 5.822 5.586 1.00 0.43 C ATOM 0 H THR A 19 5.291 5.011 3.789 1.00 0.21 H new ATOM 0 HA THR A 19 5.835 7.039 5.843 1.00 0.23 H new ATOM 0 HB THR A 19 7.861 7.479 4.266 1.00 0.30 H new ATOM 0 HG1 THR A 19 8.435 5.567 3.035 1.00 0.63 H new ATOM 0 HG21 THR A 19 9.168 5.668 5.311 1.00 0.43 H new ATOM 0 HG22 THR A 19 8.072 6.446 6.478 1.00 0.43 H new ATOM 0 HG23 THR A 19 7.656 4.859 5.789 1.00 0.43 H new ATOM 301 N TYR A 20 4.526 7.569 2.965 1.00 0.21 N ATOM 302 CA TYR A 20 3.870 8.608 2.180 1.00 0.23 C ATOM 303 C TYR A 20 2.549 8.111 1.629 1.00 0.21 C ATOM 304 O TYR A 20 2.426 6.961 1.200 1.00 0.22 O ATOM 305 CB TYR A 20 4.757 9.114 1.036 1.00 0.31 C ATOM 306 CG TYR A 20 4.126 10.225 0.221 1.00 0.38 C ATOM 307 CD1 TYR A 20 4.168 11.547 0.657 1.00 0.48 C ATOM 308 CD2 TYR A 20 3.494 9.956 -0.985 1.00 0.46 C ATOM 309 CE1 TYR A 20 3.600 12.565 -0.087 1.00 0.60 C ATOM 310 CE2 TYR A 20 2.925 10.968 -1.734 1.00 0.57 C ATOM 311 CZ TYR A 20 2.951 12.262 -1.269 1.00 0.64 C ATOM 312 OH TYR A 20 2.415 13.279 -2.029 1.00 0.77 O ATOM 0 H TYR A 20 4.291 6.614 2.693 1.00 0.21 H new ATOM 0 HA TYR A 20 3.686 9.445 2.853 1.00 0.23 H new ATOM 0 HB2 TYR A 20 5.700 9.470 1.450 1.00 0.31 H new ATOM 0 HB3 TYR A 20 4.993 8.280 0.375 1.00 0.31 H new ATOM 0 HD1 TYR A 20 4.653 11.781 1.593 1.00 0.48 H new ATOM 0 HD2 TYR A 20 3.446 8.939 -1.344 1.00 0.46 H new ATOM 0 HE1 TYR A 20 3.663 13.588 0.253 1.00 0.60 H new ATOM 0 HE2 TYR A 20 2.461 10.743 -2.683 1.00 0.57 H new ATOM 0 HH TYR A 20 1.994 12.902 -2.829 1.00 0.77 H new ATOM 322 N CYS A 21 1.567 8.991 1.663 1.00 0.19 N ATOM 323 CA CYS A 21 0.257 8.723 1.119 1.00 0.19 C ATOM 324 C CYS A 21 -0.194 9.907 0.286 1.00 0.18 C ATOM 325 O CYS A 21 -0.149 11.047 0.747 1.00 0.21 O ATOM 326 CB CYS A 21 -0.733 8.474 2.252 1.00 0.20 C ATOM 327 SG CYS A 21 -0.589 6.848 3.014 1.00 0.34 S ATOM 0 H CYS A 21 1.661 9.920 2.074 1.00 0.19 H new ATOM 0 HA CYS A 21 0.300 7.835 0.488 1.00 0.19 H new ATOM 0 HB2 CYS A 21 -0.590 9.236 3.018 1.00 0.20 H new ATOM 0 HB3 CYS A 21 -1.746 8.594 1.868 1.00 0.20 H new ATOM 0 HG CYS A 21 0.246 6.121 2.332 1.00 0.34 H new ATOM 333 N ASP A 22 -0.592 9.635 -0.943 1.00 0.17 N ATOM 334 CA ASP A 22 -1.105 10.675 -1.829 1.00 0.18 C ATOM 335 C ASP A 22 -2.418 11.218 -1.274 1.00 0.18 C ATOM 336 O ASP A 22 -3.146 10.495 -0.602 1.00 0.20 O ATOM 337 CB ASP A 22 -1.303 10.112 -3.236 1.00 0.20 C ATOM 338 CG ASP A 22 -1.712 11.165 -4.241 1.00 0.27 C ATOM 339 OD1 ASP A 22 -0.823 11.851 -4.777 1.00 0.67 O ATOM 340 OD2 ASP A 22 -2.922 11.310 -4.497 1.00 0.55 O ATOM 0 H ASP A 22 -0.572 8.702 -1.355 1.00 0.17 H new ATOM 0 HA ASP A 22 -0.385 11.492 -1.886 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -0.377 9.642 -3.567 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -2.063 9.332 -3.206 1.00 0.20 H new ATOM 345 N ASP A 23 -2.723 12.476 -1.573 1.00 0.20 N ATOM 346 CA ASP A 23 -3.850 13.174 -0.945 1.00 0.23 C ATOM 347 C ASP A 23 -5.166 12.462 -1.229 1.00 0.21 C ATOM 348 O ASP A 23 -6.112 12.531 -0.447 1.00 0.23 O ATOM 349 CB ASP A 23 -3.927 14.621 -1.435 1.00 0.31 C ATOM 350 CG ASP A 23 -4.924 15.448 -0.645 1.00 1.33 C ATOM 351 OD1 ASP A 23 -4.612 15.836 0.500 1.00 1.97 O ATOM 352 OD2 ASP A 23 -6.033 15.703 -1.163 1.00 2.12 O ATOM 0 H ASP A 23 -2.206 13.039 -2.248 1.00 0.20 H new ATOM 0 HA ASP A 23 -3.682 13.171 0.132 1.00 0.23 H new ATOM 0 HB2 ASP A 23 -2.941 15.079 -1.362 1.00 0.31 H new ATOM 0 HB3 ASP A 23 -4.206 14.630 -2.489 1.00 0.31 H new ATOM 357 N ARG A 24 -5.193 11.754 -2.347 1.00 0.20 N ATOM 358 CA ARG A 24 -6.358 10.991 -2.776 1.00 0.21 C ATOM 359 C ARG A 24 -6.756 9.916 -1.758 1.00 0.19 C ATOM 360 O ARG A 24 -7.900 9.460 -1.743 1.00 0.21 O ATOM 361 CB ARG A 24 -6.064 10.351 -4.129 1.00 0.24 C ATOM 362 CG ARG A 24 -5.933 11.361 -5.260 1.00 0.66 C ATOM 363 CD ARG A 24 -5.391 10.719 -6.526 1.00 1.23 C ATOM 364 NE ARG A 24 -5.188 11.700 -7.595 1.00 1.64 N ATOM 365 CZ ARG A 24 -4.076 11.788 -8.323 1.00 2.49 C ATOM 366 NH1 ARG A 24 -3.049 10.988 -8.068 1.00 3.22 N ATOM 367 NH2 ARG A 24 -3.993 12.685 -9.297 1.00 2.98 N ATOM 0 H ARG A 24 -4.402 11.691 -2.988 1.00 0.20 H new ATOM 0 HA ARG A 24 -7.200 11.678 -2.858 1.00 0.21 H new ATOM 0 HB2 ARG A 24 -5.141 9.775 -4.057 1.00 0.24 H new ATOM 0 HB3 ARG A 24 -6.861 9.647 -4.371 1.00 0.24 H new ATOM 0 HG2 ARG A 24 -6.907 11.806 -5.465 1.00 0.66 H new ATOM 0 HG3 ARG A 24 -5.272 12.170 -4.950 1.00 0.66 H new ATOM 0 HD2 ARG A 24 -4.446 10.223 -6.305 1.00 1.23 H new ATOM 0 HD3 ARG A 24 -6.083 9.949 -6.867 1.00 1.23 H new ATOM 0 HE ARG A 24 -5.944 12.355 -7.794 1.00 1.64 H new ATOM 0 HH11 ARG A 24 -3.110 10.304 -7.314 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -2.198 11.057 -8.626 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -4.780 13.306 -9.487 1.00 2.98 H new ATOM 0 HH22 ARG A 24 -3.142 12.754 -9.856 1.00 2.98 H new ATOM 381 N ILE A 25 -5.811 9.518 -0.909 1.00 0.17 N ATOM 382 CA ILE A 25 -6.023 8.426 0.046 1.00 0.18 C ATOM 383 C ILE A 25 -7.243 8.706 0.941 1.00 0.19 C ATOM 384 O ILE A 25 -7.967 7.783 1.308 1.00 0.21 O ATOM 385 CB ILE A 25 -4.747 8.182 0.906 1.00 0.19 C ATOM 386 CG1 ILE A 25 -4.841 6.878 1.717 1.00 0.24 C ATOM 387 CG2 ILE A 25 -4.475 9.360 1.832 1.00 0.19 C ATOM 388 CD1 ILE A 25 -5.556 7.007 3.052 1.00 0.76 C ATOM 0 H ILE A 25 -4.883 9.938 -0.861 1.00 0.17 H new ATOM 0 HA ILE A 25 -6.224 7.518 -0.522 1.00 0.18 H new ATOM 0 HB ILE A 25 -3.912 8.084 0.212 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -5.357 6.129 1.116 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -3.833 6.504 1.896 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -3.579 9.161 2.420 1.00 0.19 H new ATOM 0 HG22 ILE A 25 -4.327 10.263 1.239 1.00 0.19 H new ATOM 0 HG23 ILE A 25 -5.324 9.500 2.501 1.00 0.19 H new ATOM 0 HD11 ILE A 25 -5.573 6.038 3.551 1.00 0.76 H new ATOM 0 HD12 ILE A 25 -5.031 7.728 3.678 1.00 0.76 H new ATOM 0 HD13 ILE A 25 -6.578 7.347 2.886 1.00 0.76 H new ATOM 400 N THR A 26 -7.454 9.980 1.270 1.00 0.20 N ATOM 401 CA THR A 26 -8.615 10.412 2.060 1.00 0.22 C ATOM 402 C THR A 26 -9.918 9.822 1.522 1.00 0.25 C ATOM 403 O THR A 26 -10.797 9.418 2.282 1.00 0.31 O ATOM 404 CB THR A 26 -8.740 11.947 2.072 1.00 0.25 C ATOM 405 OG1 THR A 26 -8.833 12.443 0.733 1.00 0.28 O ATOM 406 CG2 THR A 26 -7.551 12.589 2.764 1.00 0.26 C ATOM 0 H THR A 26 -6.831 10.741 1.000 1.00 0.20 H new ATOM 0 HA THR A 26 -8.450 10.048 3.074 1.00 0.22 H new ATOM 0 HB THR A 26 -9.644 12.204 2.624 1.00 0.25 H new ATOM 0 HG1 THR A 26 -7.941 12.462 0.329 1.00 0.28 H new ATOM 0 HG21 THR A 26 -7.667 13.673 2.757 1.00 0.26 H new ATOM 0 HG22 THR A 26 -7.496 12.237 3.794 1.00 0.26 H new ATOM 0 HG23 THR A 26 -6.635 12.319 2.239 1.00 0.26 H new ATOM 414 N GLU A 27 -10.015 9.772 0.205 1.00 0.25 N ATOM 415 CA GLU A 27 -11.205 9.270 -0.461 1.00 0.30 C ATOM 416 C GLU A 27 -11.103 7.775 -0.733 1.00 0.33 C ATOM 417 O GLU A 27 -12.119 7.096 -0.884 1.00 0.43 O ATOM 418 CB GLU A 27 -11.429 10.020 -1.772 1.00 0.38 C ATOM 419 CG GLU A 27 -11.746 11.491 -1.575 1.00 0.55 C ATOM 420 CD GLU A 27 -12.978 11.701 -0.718 1.00 1.43 C ATOM 421 OE1 GLU A 27 -14.060 11.202 -1.089 1.00 1.63 O ATOM 422 OE2 GLU A 27 -12.867 12.354 0.342 1.00 2.28 O ATOM 0 H GLU A 27 -9.277 10.076 -0.430 1.00 0.25 H new ATOM 0 HA GLU A 27 -12.053 9.436 0.203 1.00 0.30 H new ATOM 0 HB2 GLU A 27 -10.538 9.927 -2.392 1.00 0.38 H new ATOM 0 HB3 GLU A 27 -12.247 9.549 -2.317 1.00 0.38 H new ATOM 0 HG2 GLU A 27 -10.893 11.986 -1.110 1.00 0.55 H new ATOM 0 HG3 GLU A 27 -11.897 11.962 -2.546 1.00 0.55 H new ATOM 429 N LEU A 28 -9.883 7.265 -0.781 1.00 0.27 N ATOM 430 CA LEU A 28 -9.658 5.881 -1.174 1.00 0.30 C ATOM 431 C LEU A 28 -9.686 4.937 0.027 1.00 0.31 C ATOM 432 O LEU A 28 -10.502 4.017 0.085 1.00 0.35 O ATOM 433 CB LEU A 28 -8.328 5.766 -1.915 1.00 0.30 C ATOM 434 CG LEU A 28 -8.149 6.766 -3.063 1.00 0.30 C ATOM 435 CD1 LEU A 28 -6.869 6.489 -3.829 1.00 0.31 C ATOM 436 CD2 LEU A 28 -9.346 6.730 -3.996 1.00 0.32 C ATOM 0 H LEU A 28 -9.035 7.785 -0.554 1.00 0.27 H new ATOM 0 HA LEU A 28 -10.470 5.582 -1.837 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -7.516 5.903 -1.201 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -8.235 4.755 -2.313 1.00 0.30 H new ATOM 0 HG LEU A 28 -8.077 7.765 -2.632 1.00 0.30 H new ATOM 0 HD11 LEU A 28 -6.765 7.212 -4.638 1.00 0.31 H new ATOM 0 HD12 LEU A 28 -6.016 6.574 -3.155 1.00 0.31 H new ATOM 0 HD13 LEU A 28 -6.904 5.482 -4.245 1.00 0.31 H new ATOM 0 HD21 LEU A 28 -9.199 7.447 -4.804 1.00 0.32 H new ATOM 0 HD22 LEU A 28 -9.452 5.729 -4.414 1.00 0.32 H new ATOM 0 HD23 LEU A 28 -10.248 6.988 -3.441 1.00 0.32 H new ATOM 448 N ILE A 29 -8.803 5.172 0.987 1.00 0.28 N ATOM 449 CA ILE A 29 -8.700 4.308 2.159 1.00 0.30 C ATOM 450 C ILE A 29 -9.410 4.967 3.341 1.00 0.29 C ATOM 451 O ILE A 29 -9.541 4.393 4.418 1.00 0.33 O ATOM 452 CB ILE A 29 -7.221 4.017 2.527 1.00 0.30 C ATOM 453 CG1 ILE A 29 -6.424 3.601 1.285 1.00 0.33 C ATOM 454 CG2 ILE A 29 -7.126 2.930 3.596 1.00 0.34 C ATOM 455 CD1 ILE A 29 -6.937 2.342 0.615 1.00 1.10 C ATOM 0 H ILE A 29 -8.147 5.953 0.979 1.00 0.28 H new ATOM 0 HA ILE A 29 -9.176 3.356 1.922 1.00 0.30 H new ATOM 0 HB ILE A 29 -6.792 4.935 2.928 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -6.443 4.418 0.563 1.00 0.33 H new ATOM 0 HG13 ILE A 29 -5.382 3.451 1.568 1.00 0.33 H new ATOM 0 HG21 ILE A 29 -6.079 2.746 3.835 1.00 0.34 H new ATOM 0 HG22 ILE A 29 -7.652 3.256 4.494 1.00 0.34 H new ATOM 0 HG23 ILE A 29 -7.580 2.012 3.223 1.00 0.34 H new ATOM 0 HD11 ILE A 29 -6.320 2.115 -0.255 1.00 1.10 H new ATOM 0 HD12 ILE A 29 -6.891 1.511 1.319 1.00 1.10 H new ATOM 0 HD13 ILE A 29 -7.969 2.493 0.298 1.00 1.10 H new ATOM 467 N GLY A 30 -9.880 6.182 3.115 1.00 0.27 N ATOM 468 CA GLY A 30 -10.630 6.898 4.126 1.00 0.29 C ATOM 469 C GLY A 30 -9.777 7.591 5.176 1.00 0.28 C ATOM 470 O GLY A 30 -10.246 8.535 5.809 1.00 0.32 O ATOM 0 H GLY A 30 -9.754 6.691 2.240 1.00 0.27 H new ATOM 0 HA2 GLY A 30 -11.255 7.644 3.635 1.00 0.29 H new ATOM 0 HA3 GLY A 30 -11.300 6.199 4.625 1.00 0.29 H new ATOM 474 N TYR A 31 -8.532 7.157 5.372 1.00 0.28 N ATOM 475 CA TYR A 31 -7.689 7.767 6.385 1.00 0.33 C ATOM 476 C TYR A 31 -7.133 9.096 5.883 1.00 0.34 C ATOM 477 O TYR A 31 -7.508 9.572 4.810 1.00 0.43 O ATOM 478 CB TYR A 31 -6.527 6.850 6.762 1.00 0.38 C ATOM 479 CG TYR A 31 -6.913 5.623 7.554 1.00 0.37 C ATOM 480 CD1 TYR A 31 -7.464 5.740 8.822 1.00 0.45 C ATOM 481 CD2 TYR A 31 -6.696 4.351 7.047 1.00 0.39 C ATOM 482 CE1 TYR A 31 -7.790 4.621 9.562 1.00 0.48 C ATOM 483 CE2 TYR A 31 -7.022 3.226 7.778 1.00 0.43 C ATOM 484 CZ TYR A 31 -7.568 3.366 9.038 1.00 0.46 C ATOM 485 OH TYR A 31 -7.892 2.248 9.776 1.00 0.53 O ATOM 0 H TYR A 31 -8.095 6.398 4.849 1.00 0.28 H new ATOM 0 HA TYR A 31 -8.306 7.936 7.268 1.00 0.33 H new ATOM 0 HB2 TYR A 31 -6.024 6.531 5.849 1.00 0.38 H new ATOM 0 HB3 TYR A 31 -5.803 7.424 7.340 1.00 0.38 H new ATOM 0 HD1 TYR A 31 -7.641 6.722 9.236 1.00 0.45 H new ATOM 0 HD2 TYR A 31 -6.265 4.238 6.063 1.00 0.39 H new ATOM 0 HE1 TYR A 31 -8.217 4.729 10.548 1.00 0.48 H new ATOM 0 HE2 TYR A 31 -6.851 2.242 7.366 1.00 0.43 H new ATOM 0 HH TYR A 31 -7.674 1.442 9.262 1.00 0.53 H new ATOM 495 N HIS A 32 -6.231 9.687 6.646 1.00 0.31 N ATOM 496 CA HIS A 32 -5.565 10.906 6.221 1.00 0.34 C ATOM 497 C HIS A 32 -4.154 10.543 5.784 1.00 0.23 C ATOM 498 O HIS A 32 -3.586 9.585 6.302 1.00 0.23 O ATOM 499 CB HIS A 32 -5.511 11.909 7.383 1.00 0.52 C ATOM 500 CG HIS A 32 -5.829 13.324 7.001 1.00 0.68 C ATOM 501 ND1 HIS A 32 -6.572 13.819 5.988 1.00 1.52 N flip ATOM 502 CD2 HIS A 32 -5.389 14.416 7.717 1.00 1.52 C flip ATOM 503 CE1 HIS A 32 -6.570 15.185 6.105 1.00 1.90 C flip ATOM 504 NE2 HIS A 32 -5.849 15.520 7.157 1.00 1.89 N flip ATOM 0 H HIS A 32 -5.943 9.343 7.562 1.00 0.31 H new ATOM 0 HA HIS A 32 -6.111 11.366 5.397 1.00 0.34 H new ATOM 0 HB2 HIS A 32 -6.211 11.589 8.155 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -4.515 11.881 7.824 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.766 14.375 8.598 1.00 1.52 H new ATOM 0 HE1 HIS A 32 -7.076 15.873 5.444 1.00 1.90 H new ATOM 0 HE2 HIS A 32 -5.676 16.471 7.483 1.00 1.89 H new ATOM 513 N PRO A 33 -3.566 11.257 4.816 1.00 0.24 N ATOM 514 CA PRO A 33 -2.167 11.039 4.448 1.00 0.27 C ATOM 515 C PRO A 33 -1.277 11.107 5.678 1.00 0.25 C ATOM 516 O PRO A 33 -0.463 10.222 5.922 1.00 0.29 O ATOM 517 CB PRO A 33 -1.866 12.193 3.492 1.00 0.34 C ATOM 518 CG PRO A 33 -3.187 12.541 2.902 1.00 0.33 C ATOM 519 CD PRO A 33 -4.197 12.300 3.991 1.00 0.29 C ATOM 0 HA PRO A 33 -1.988 10.062 4.000 1.00 0.27 H new ATOM 0 HB2 PRO A 33 -1.430 13.042 4.019 1.00 0.34 H new ATOM 0 HB3 PRO A 33 -1.153 11.896 2.723 1.00 0.34 H new ATOM 0 HG2 PRO A 33 -3.207 13.580 2.573 1.00 0.33 H new ATOM 0 HG3 PRO A 33 -3.400 11.925 2.028 1.00 0.33 H new ATOM 0 HD2 PRO A 33 -4.391 13.205 4.567 1.00 0.29 H new ATOM 0 HD3 PRO A 33 -5.153 11.969 3.586 1.00 0.29 H new ATOM 527 N GLU A 34 -1.525 12.127 6.489 1.00 0.25 N ATOM 528 CA GLU A 34 -0.771 12.371 7.713 1.00 0.30 C ATOM 529 C GLU A 34 -1.050 11.289 8.744 1.00 0.28 C ATOM 530 O GLU A 34 -0.333 11.161 9.736 1.00 0.32 O ATOM 531 CB GLU A 34 -1.151 13.727 8.297 1.00 0.37 C ATOM 532 CG GLU A 34 -1.148 14.839 7.274 1.00 1.01 C ATOM 533 CD GLU A 34 0.180 14.973 6.561 1.00 1.68 C ATOM 534 OE1 GLU A 34 1.127 15.527 7.154 1.00 2.14 O ATOM 535 OE2 GLU A 34 0.283 14.527 5.401 1.00 2.13 O ATOM 0 H GLU A 34 -2.260 12.813 6.316 1.00 0.25 H new ATOM 0 HA GLU A 34 0.290 12.359 7.465 1.00 0.30 H new ATOM 0 HB2 GLU A 34 -2.142 13.657 8.745 1.00 0.37 H new ATOM 0 HB3 GLU A 34 -0.456 13.978 9.098 1.00 0.37 H new ATOM 0 HG2 GLU A 34 -1.933 14.654 6.540 1.00 1.01 H new ATOM 0 HG3 GLU A 34 -1.388 15.781 7.767 1.00 1.01 H new ATOM 542 N GLU A 35 -2.090 10.507 8.497 1.00 0.26 N ATOM 543 CA GLU A 35 -2.485 9.471 9.422 1.00 0.29 C ATOM 544 C GLU A 35 -1.565 8.276 9.250 1.00 0.29 C ATOM 545 O GLU A 35 -0.897 7.843 10.191 1.00 0.43 O ATOM 546 CB GLU A 35 -3.939 9.030 9.187 1.00 0.34 C ATOM 547 CG GLU A 35 -4.807 9.098 10.431 1.00 0.61 C ATOM 548 CD GLU A 35 -4.253 8.281 11.579 1.00 1.23 C ATOM 549 OE1 GLU A 35 -4.292 7.034 11.500 1.00 1.81 O ATOM 550 OE2 GLU A 35 -3.777 8.880 12.564 1.00 1.71 O ATOM 0 H GLU A 35 -2.672 10.575 7.662 1.00 0.26 H new ATOM 0 HA GLU A 35 -2.411 9.869 10.434 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -4.379 9.659 8.413 1.00 0.34 H new ATOM 0 HB3 GLU A 35 -3.942 8.008 8.808 1.00 0.34 H new ATOM 0 HG2 GLU A 35 -4.904 10.137 10.744 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -5.809 8.743 10.189 1.00 0.61 H new ATOM 557 N LEU A 36 -1.527 7.760 8.027 1.00 0.27 N ATOM 558 CA LEU A 36 -0.716 6.594 7.719 1.00 0.29 C ATOM 559 C LEU A 36 0.766 6.910 7.802 1.00 0.32 C ATOM 560 O LEU A 36 1.584 6.006 7.954 1.00 0.46 O ATOM 561 CB LEU A 36 -1.023 6.033 6.330 1.00 0.29 C ATOM 562 CG LEU A 36 -2.415 5.439 6.150 1.00 0.28 C ATOM 563 CD1 LEU A 36 -3.417 6.524 5.817 1.00 0.32 C ATOM 564 CD2 LEU A 36 -2.407 4.365 5.074 1.00 0.29 C ATOM 0 H LEU A 36 -2.049 8.133 7.234 1.00 0.27 H new ATOM 0 HA LEU A 36 -0.970 5.843 8.467 1.00 0.29 H new ATOM 0 HB2 LEU A 36 -0.891 6.831 5.599 1.00 0.29 H new ATOM 0 HB3 LEU A 36 -0.287 5.263 6.098 1.00 0.29 H new ATOM 0 HG LEU A 36 -2.713 4.975 7.090 1.00 0.28 H new ATOM 0 HD11 LEU A 36 -4.405 6.081 5.692 1.00 0.32 H new ATOM 0 HD12 LEU A 36 -3.446 7.253 6.627 1.00 0.32 H new ATOM 0 HD13 LEU A 36 -3.122 7.020 4.892 1.00 0.32 H new ATOM 0 HD21 LEU A 36 -3.411 3.955 4.962 1.00 0.29 H new ATOM 0 HD22 LEU A 36 -2.085 4.800 4.128 1.00 0.29 H new ATOM 0 HD23 LEU A 36 -1.719 3.569 5.360 1.00 0.29 H new ATOM 576 N LEU A 37 1.101 8.192 7.691 1.00 0.41 N ATOM 577 CA LEU A 37 2.489 8.625 7.675 1.00 0.48 C ATOM 578 C LEU A 37 3.234 8.244 8.946 1.00 0.60 C ATOM 579 O LEU A 37 3.238 8.978 9.933 1.00 1.27 O ATOM 580 CB LEU A 37 2.594 10.132 7.441 1.00 0.76 C ATOM 581 CG LEU A 37 2.338 10.606 6.009 1.00 0.33 C ATOM 582 CD1 LEU A 37 3.295 11.725 5.646 1.00 0.77 C ATOM 583 CD2 LEU A 37 2.461 9.456 5.024 1.00 0.94 C ATOM 0 H LEU A 37 0.424 8.951 7.611 1.00 0.41 H new ATOM 0 HA LEU A 37 2.963 8.101 6.845 1.00 0.48 H new ATOM 0 HB2 LEU A 37 1.885 10.633 8.101 1.00 0.76 H new ATOM 0 HB3 LEU A 37 3.591 10.458 7.738 1.00 0.76 H new ATOM 0 HG LEU A 37 1.318 10.987 5.953 1.00 0.33 H new ATOM 0 HD11 LEU A 37 3.101 12.052 4.624 1.00 0.77 H new ATOM 0 HD12 LEU A 37 3.151 12.562 6.329 1.00 0.77 H new ATOM 0 HD13 LEU A 37 4.321 11.366 5.723 1.00 0.77 H new ATOM 0 HD21 LEU A 37 2.274 9.821 4.014 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.465 9.036 5.078 1.00 0.94 H new ATOM 0 HD23 LEU A 37 1.732 8.685 5.272 1.00 0.94 H new ATOM 595 N GLY A 38 3.828 7.069 8.912 1.00 0.31 N ATOM 596 CA GLY A 38 4.693 6.634 9.978 1.00 0.44 C ATOM 597 C GLY A 38 3.976 5.752 10.970 1.00 0.42 C ATOM 598 O GLY A 38 4.229 5.832 12.175 1.00 0.54 O ATOM 0 H GLY A 38 3.724 6.398 8.151 1.00 0.31 H new ATOM 0 HA2 GLY A 38 5.540 6.091 9.558 1.00 0.44 H new ATOM 0 HA3 GLY A 38 5.097 7.505 10.494 1.00 0.44 H new ATOM 602 N ARG A 39 3.077 4.903 10.483 1.00 0.34 N ATOM 603 CA ARG A 39 2.349 4.013 11.376 1.00 0.37 C ATOM 604 C ARG A 39 2.239 2.607 10.801 1.00 0.35 C ATOM 605 O ARG A 39 2.031 2.433 9.601 1.00 0.48 O ATOM 606 CB ARG A 39 0.953 4.555 11.670 1.00 0.48 C ATOM 607 CG ARG A 39 0.040 4.573 10.460 1.00 0.48 C ATOM 608 CD ARG A 39 -1.416 4.694 10.880 1.00 0.69 C ATOM 609 NE ARG A 39 -1.814 3.585 11.752 1.00 1.38 N ATOM 610 CZ ARG A 39 -2.881 3.599 12.550 1.00 1.72 C ATOM 611 NH1 ARG A 39 -3.665 4.667 12.611 1.00 1.80 N ATOM 612 NH2 ARG A 39 -3.154 2.541 13.305 1.00 2.61 N ATOM 0 H ARG A 39 2.839 4.813 9.495 1.00 0.34 H new ATOM 0 HA ARG A 39 2.916 3.963 12.306 1.00 0.37 H new ATOM 0 HB2 ARG A 39 0.494 3.949 12.451 1.00 0.48 H new ATOM 0 HB3 ARG A 39 1.041 5.568 12.063 1.00 0.48 H new ATOM 0 HG2 ARG A 39 0.306 5.408 9.811 1.00 0.48 H new ATOM 0 HG3 ARG A 39 0.181 3.661 9.880 1.00 0.48 H new ATOM 0 HD2 ARG A 39 -1.569 5.640 11.399 1.00 0.69 H new ATOM 0 HD3 ARG A 39 -2.052 4.709 9.995 1.00 0.69 H new ATOM 0 HE ARG A 39 -1.235 2.745 11.748 1.00 1.38 H new ATOM 0 HH11 ARG A 39 -3.454 5.488 12.044 1.00 1.80 H new ATOM 0 HH12 ARG A 39 -4.479 4.667 13.225 1.00 1.80 H new ATOM 0 HH21 ARG A 39 -2.548 1.721 13.273 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -3.970 2.548 13.917 1.00 2.61 H new ATOM 626 N SER A 40 2.454 1.631 11.677 1.00 0.37 N ATOM 627 CA SER A 40 2.312 0.210 11.377 1.00 0.43 C ATOM 628 C SER A 40 1.162 -0.108 10.423 1.00 0.39 C ATOM 629 O SER A 40 -0.009 -0.105 10.807 1.00 0.43 O ATOM 630 CB SER A 40 2.095 -0.527 12.694 1.00 0.57 C ATOM 631 OG SER A 40 2.916 0.027 13.714 1.00 1.23 O ATOM 0 H SER A 40 2.739 1.811 12.640 1.00 0.37 H new ATOM 0 HA SER A 40 3.222 -0.112 10.870 1.00 0.43 H new ATOM 0 HB2 SER A 40 1.047 -0.461 12.986 1.00 0.57 H new ATOM 0 HB3 SER A 40 2.325 -1.585 12.568 1.00 0.57 H new ATOM 0 HG SER A 40 2.765 -0.455 14.554 1.00 1.23 H new ATOM 637 N ALA A 41 1.523 -0.356 9.165 1.00 0.35 N ATOM 638 CA ALA A 41 0.576 -0.829 8.169 1.00 0.34 C ATOM 639 C ALA A 41 -0.108 -2.092 8.635 1.00 0.33 C ATOM 640 O ALA A 41 -1.326 -2.175 8.601 1.00 0.33 O ATOM 641 CB ALA A 41 1.262 -1.111 6.844 1.00 0.35 C ATOM 0 H ALA A 41 2.473 -0.235 8.814 1.00 0.35 H new ATOM 0 HA ALA A 41 -0.162 -0.039 8.031 1.00 0.34 H new ATOM 0 HB1 ALA A 41 0.526 -1.463 6.121 1.00 0.35 H new ATOM 0 HB2 ALA A 41 1.727 -0.197 6.473 1.00 0.35 H new ATOM 0 HB3 ALA A 41 2.026 -1.875 6.985 1.00 0.35 H new ATOM 647 N TYR A 42 0.702 -3.048 9.100 1.00 0.37 N ATOM 648 CA TYR A 42 0.272 -4.427 9.375 1.00 0.42 C ATOM 649 C TYR A 42 -1.026 -4.537 10.188 1.00 0.47 C ATOM 650 O TYR A 42 -1.656 -5.596 10.198 1.00 0.55 O ATOM 651 CB TYR A 42 1.397 -5.184 10.083 1.00 0.47 C ATOM 652 CG TYR A 42 2.660 -5.294 9.253 1.00 0.54 C ATOM 653 CD1 TYR A 42 3.631 -4.301 9.295 1.00 0.67 C ATOM 654 CD2 TYR A 42 2.883 -6.395 8.433 1.00 0.72 C ATOM 655 CE1 TYR A 42 4.789 -4.404 8.545 1.00 0.84 C ATOM 656 CE2 TYR A 42 4.037 -6.504 7.682 1.00 0.90 C ATOM 657 CZ TYR A 42 4.972 -5.485 7.716 1.00 0.91 C ATOM 658 OH TYR A 42 6.138 -5.620 6.996 1.00 1.14 O ATOM 0 H TYR A 42 1.689 -2.886 9.300 1.00 0.37 H new ATOM 0 HA TYR A 42 0.052 -4.874 8.405 1.00 0.42 H new ATOM 0 HB2 TYR A 42 1.630 -4.681 11.021 1.00 0.47 H new ATOM 0 HB3 TYR A 42 1.049 -6.185 10.336 1.00 0.47 H new ATOM 0 HD1 TYR A 42 3.479 -3.435 9.923 1.00 0.67 H new ATOM 0 HD2 TYR A 42 2.141 -7.178 8.383 1.00 0.72 H new ATOM 0 HE1 TYR A 42 5.547 -3.637 8.611 1.00 0.84 H new ATOM 0 HE2 TYR A 42 4.208 -7.379 7.072 1.00 0.90 H new ATOM 0 HH TYR A 42 6.665 -4.797 7.069 1.00 1.14 H new ATOM 668 N GLU A 43 -1.427 -3.464 10.864 1.00 0.48 N ATOM 669 CA GLU A 43 -2.719 -3.436 11.540 1.00 0.56 C ATOM 670 C GLU A 43 -3.851 -3.517 10.511 1.00 0.57 C ATOM 671 O GLU A 43 -4.541 -4.531 10.401 1.00 1.01 O ATOM 672 CB GLU A 43 -2.872 -2.148 12.351 1.00 0.65 C ATOM 673 CG GLU A 43 -1.747 -1.893 13.340 1.00 0.95 C ATOM 674 CD GLU A 43 -1.918 -0.577 14.070 1.00 1.72 C ATOM 675 OE1 GLU A 43 -1.491 0.463 13.536 1.00 2.57 O ATOM 676 OE2 GLU A 43 -2.469 -0.581 15.193 1.00 1.89 O ATOM 0 H GLU A 43 -0.880 -2.608 10.958 1.00 0.48 H new ATOM 0 HA GLU A 43 -2.771 -4.292 12.213 1.00 0.56 H new ATOM 0 HB2 GLU A 43 -2.933 -1.305 11.663 1.00 0.65 H new ATOM 0 HB3 GLU A 43 -3.816 -2.185 12.895 1.00 0.65 H new ATOM 0 HG2 GLU A 43 -1.710 -2.707 14.064 1.00 0.95 H new ATOM 0 HG3 GLU A 43 -0.794 -1.893 12.812 1.00 0.95 H new ATOM 683 N PHE A 44 -4.022 -2.435 9.761 1.00 0.40 N ATOM 684 CA PHE A 44 -5.077 -2.335 8.757 1.00 0.38 C ATOM 685 C PHE A 44 -4.663 -2.953 7.420 1.00 0.30 C ATOM 686 O PHE A 44 -5.483 -3.079 6.508 1.00 0.40 O ATOM 687 CB PHE A 44 -5.475 -0.865 8.566 1.00 0.48 C ATOM 688 CG PHE A 44 -4.308 0.059 8.338 1.00 0.48 C ATOM 689 CD1 PHE A 44 -3.802 0.250 7.062 1.00 0.62 C ATOM 690 CD2 PHE A 44 -3.722 0.736 9.394 1.00 0.50 C ATOM 691 CE1 PHE A 44 -2.735 1.100 6.845 1.00 0.77 C ATOM 692 CE2 PHE A 44 -2.654 1.587 9.184 1.00 0.56 C ATOM 693 CZ PHE A 44 -2.150 1.762 7.927 1.00 0.70 C ATOM 0 H PHE A 44 -3.435 -1.603 9.830 1.00 0.40 H new ATOM 0 HA PHE A 44 -5.934 -2.902 9.120 1.00 0.38 H new ATOM 0 HB2 PHE A 44 -6.156 -0.790 7.718 1.00 0.48 H new ATOM 0 HB3 PHE A 44 -6.024 -0.530 9.446 1.00 0.48 H new ATOM 0 HD1 PHE A 44 -4.247 -0.272 6.228 1.00 0.62 H new ATOM 0 HD2 PHE A 44 -4.105 0.597 10.394 1.00 0.50 H new ATOM 0 HE1 PHE A 44 -2.356 1.252 5.845 1.00 0.77 H new ATOM 0 HE2 PHE A 44 -2.216 2.116 10.017 1.00 0.56 H new ATOM 0 HZ PHE A 44 -1.301 2.411 7.770 1.00 0.70 H new ATOM 703 N TYR A 45 -3.380 -3.284 7.286 1.00 0.29 N ATOM 704 CA TYR A 45 -2.815 -3.871 6.071 1.00 0.28 C ATOM 705 C TYR A 45 -3.364 -5.263 5.781 1.00 0.30 C ATOM 706 O TYR A 45 -2.620 -6.245 5.787 1.00 0.37 O ATOM 707 CB TYR A 45 -1.297 -3.949 6.230 1.00 0.34 C ATOM 708 CG TYR A 45 -0.517 -3.919 4.940 1.00 0.42 C ATOM 709 CD1 TYR A 45 -0.885 -3.067 3.908 1.00 0.47 C ATOM 710 CD2 TYR A 45 0.566 -4.761 4.743 1.00 0.55 C ATOM 711 CE1 TYR A 45 -0.192 -3.054 2.716 1.00 0.61 C ATOM 712 CE2 TYR A 45 1.263 -4.758 3.554 1.00 0.68 C ATOM 713 CZ TYR A 45 0.955 -3.827 2.588 1.00 0.68 C ATOM 714 OH TYR A 45 1.572 -3.898 1.350 1.00 0.85 O ATOM 0 H TYR A 45 -2.694 -3.150 8.028 1.00 0.29 H new ATOM 0 HA TYR A 45 -3.094 -3.235 5.231 1.00 0.28 H new ATOM 0 HB2 TYR A 45 -0.969 -3.118 6.854 1.00 0.34 H new ATOM 0 HB3 TYR A 45 -1.050 -4.866 6.765 1.00 0.34 H new ATOM 0 HD1 TYR A 45 -1.727 -2.404 4.041 1.00 0.47 H new ATOM 0 HD2 TYR A 45 0.869 -5.431 5.534 1.00 0.55 H new ATOM 0 HE1 TYR A 45 -0.537 -2.449 1.891 1.00 0.61 H new ATOM 0 HE2 TYR A 45 2.046 -5.482 3.381 1.00 0.68 H new ATOM 0 HH TYR A 45 2.363 -4.474 1.411 1.00 0.85 H new ATOM 724 N HIS A 46 -4.666 -5.315 5.524 1.00 0.28 N ATOM 725 CA HIS A 46 -5.364 -6.529 5.089 1.00 0.31 C ATOM 726 C HIS A 46 -5.464 -7.534 6.248 1.00 0.37 C ATOM 727 O HIS A 46 -4.496 -7.756 6.968 1.00 0.57 O ATOM 728 CB HIS A 46 -4.664 -7.165 3.873 1.00 0.37 C ATOM 729 CG HIS A 46 -4.039 -6.171 2.933 1.00 0.35 C ATOM 730 ND1 HIS A 46 -4.479 -4.974 2.483 1.00 0.39 N flip ATOM 731 CD2 HIS A 46 -2.777 -6.325 2.412 1.00 0.44 C flip ATOM 732 CE1 HIS A 46 -3.488 -4.432 1.719 1.00 0.36 C flip ATOM 733 NE2 HIS A 46 -2.473 -5.261 1.693 1.00 0.43 N flip ATOM 0 H HIS A 46 -5.280 -4.505 5.612 1.00 0.28 H new ATOM 0 HA HIS A 46 -6.373 -6.251 4.784 1.00 0.31 H new ATOM 0 HB2 HIS A 46 -3.892 -7.848 4.228 1.00 0.37 H new ATOM 0 HB3 HIS A 46 -5.390 -7.763 3.322 1.00 0.37 H new ATOM 0 HD1 HIS A 46 -5.387 -4.553 2.679 1.00 0.39 H new ATOM 0 HD2 HIS A 46 -2.136 -7.180 2.566 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -3.532 -3.476 1.218 1.00 0.36 H new ATOM 742 N ALA A 47 -6.635 -8.125 6.450 1.00 0.39 N ATOM 743 CA ALA A 47 -6.807 -9.071 7.557 1.00 0.44 C ATOM 744 C ALA A 47 -6.374 -10.485 7.168 1.00 0.44 C ATOM 745 O ALA A 47 -5.391 -11.009 7.691 1.00 0.48 O ATOM 746 CB ALA A 47 -8.247 -9.071 8.036 1.00 0.57 C ATOM 0 H ALA A 47 -7.466 -7.974 5.878 1.00 0.39 H new ATOM 0 HA ALA A 47 -6.162 -8.742 8.372 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -8.357 -9.779 8.858 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -8.516 -8.072 8.379 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -8.903 -9.362 7.216 1.00 0.57 H new ATOM 752 N LEU A 48 -7.081 -11.076 6.214 1.00 0.48 N ATOM 753 CA LEU A 48 -6.751 -12.415 5.721 1.00 0.53 C ATOM 754 C LEU A 48 -5.851 -12.307 4.503 1.00 0.48 C ATOM 755 O LEU A 48 -5.207 -13.267 4.088 1.00 0.52 O ATOM 756 CB LEU A 48 -8.021 -13.208 5.367 1.00 0.67 C ATOM 757 CG LEU A 48 -8.749 -12.781 4.083 1.00 0.76 C ATOM 758 CD1 LEU A 48 -9.774 -13.831 3.686 1.00 1.20 C ATOM 759 CD2 LEU A 48 -9.435 -11.433 4.255 1.00 0.99 C ATOM 0 H LEU A 48 -7.890 -10.651 5.762 1.00 0.48 H new ATOM 0 HA LEU A 48 -6.229 -12.951 6.514 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -7.754 -14.261 5.276 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -8.719 -13.127 6.200 1.00 0.67 H new ATOM 0 HG LEU A 48 -8.002 -12.686 3.295 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -10.283 -13.516 2.775 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -9.271 -14.782 3.511 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -10.504 -13.948 4.487 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -9.940 -11.161 3.328 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -10.166 -11.497 5.061 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -8.691 -10.675 4.499 1.00 0.99 H new ATOM 771 N ASP A 49 -5.828 -11.114 3.946 1.00 0.45 N ATOM 772 CA ASP A 49 -5.171 -10.835 2.678 1.00 0.45 C ATOM 773 C ASP A 49 -3.803 -10.192 2.931 1.00 0.41 C ATOM 774 O ASP A 49 -3.061 -9.839 2.014 1.00 0.49 O ATOM 775 CB ASP A 49 -6.104 -9.916 1.885 1.00 0.55 C ATOM 776 CG ASP A 49 -5.505 -9.366 0.621 1.00 0.91 C ATOM 777 OD1 ASP A 49 -5.525 -10.074 -0.407 1.00 1.07 O ATOM 778 OD2 ASP A 49 -5.065 -8.201 0.649 1.00 1.64 O ATOM 0 H ASP A 49 -6.271 -10.296 4.365 1.00 0.45 H new ATOM 0 HA ASP A 49 -4.986 -11.745 2.108 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -7.010 -10.467 1.634 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -6.404 -9.084 2.523 1.00 0.55 H new ATOM 783 N SER A 50 -3.485 -10.058 4.207 1.00 0.36 N ATOM 784 CA SER A 50 -2.221 -9.475 4.641 1.00 0.35 C ATOM 785 C SER A 50 -1.036 -10.285 4.130 1.00 0.35 C ATOM 786 O SER A 50 -0.166 -9.744 3.448 1.00 0.41 O ATOM 787 CB SER A 50 -2.171 -9.391 6.168 1.00 0.37 C ATOM 788 OG SER A 50 -1.038 -8.663 6.612 1.00 1.25 O ATOM 0 H SER A 50 -4.093 -10.349 4.973 1.00 0.36 H new ATOM 0 HA SER A 50 -2.156 -8.470 4.223 1.00 0.35 H new ATOM 0 HB2 SER A 50 -3.079 -8.914 6.537 1.00 0.37 H new ATOM 0 HB3 SER A 50 -2.146 -10.396 6.588 1.00 0.37 H new ATOM 0 HG SER A 50 -1.195 -7.704 6.485 1.00 1.25 H new ATOM 794 N GLU A 51 -1.039 -11.586 4.432 1.00 0.38 N ATOM 795 CA GLU A 51 0.089 -12.468 4.132 1.00 0.45 C ATOM 796 C GLU A 51 0.501 -12.379 2.668 1.00 0.43 C ATOM 797 O GLU A 51 1.686 -12.377 2.355 1.00 0.47 O ATOM 798 CB GLU A 51 -0.255 -13.914 4.497 1.00 0.55 C ATOM 799 CG GLU A 51 -0.592 -14.105 5.967 1.00 1.32 C ATOM 800 CD GLU A 51 -0.891 -15.546 6.313 1.00 1.99 C ATOM 801 OE1 GLU A 51 -2.069 -15.951 6.223 1.00 2.68 O ATOM 802 OE2 GLU A 51 0.048 -16.287 6.681 1.00 2.49 O ATOM 0 H GLU A 51 -1.821 -12.055 4.890 1.00 0.38 H new ATOM 0 HA GLU A 51 0.935 -12.138 4.735 1.00 0.45 H new ATOM 0 HB2 GLU A 51 -1.101 -14.241 3.893 1.00 0.55 H new ATOM 0 HB3 GLU A 51 0.588 -14.556 4.239 1.00 0.55 H new ATOM 0 HG2 GLU A 51 0.242 -13.755 6.575 1.00 1.32 H new ATOM 0 HG3 GLU A 51 -1.454 -13.488 6.221 1.00 1.32 H new ATOM 809 N ASN A 52 -0.478 -12.300 1.778 1.00 0.43 N ATOM 810 CA ASN A 52 -0.220 -12.109 0.351 1.00 0.48 C ATOM 811 C ASN A 52 0.754 -10.959 0.114 1.00 0.41 C ATOM 812 O ASN A 52 1.795 -11.126 -0.525 1.00 0.44 O ATOM 813 CB ASN A 52 -1.540 -11.840 -0.379 1.00 0.56 C ATOM 814 CG ASN A 52 -2.297 -13.113 -0.712 1.00 1.11 C ATOM 815 OD1 ASN A 52 -1.596 -14.112 -1.224 1.00 1.96 O flip ATOM 816 ND2 ASN A 52 -3.518 -13.184 -0.555 1.00 1.31 N flip ATOM 0 H ASN A 52 -1.467 -12.365 2.018 1.00 0.43 H new ATOM 0 HA ASN A 52 0.235 -13.019 -0.041 1.00 0.48 H new ATOM 0 HB2 ASN A 52 -2.169 -11.200 0.240 1.00 0.56 H new ATOM 0 HB3 ASN A 52 -1.336 -11.292 -1.299 1.00 0.56 H new ATOM 0 HD21 ASN A 52 -4.028 -12.395 -0.157 1.00 1.31 H new ATOM 0 HD22 ASN A 52 -4.018 -14.032 -0.823 1.00 1.31 H new ATOM 823 N MET A 53 0.431 -9.804 0.667 1.00 0.35 N ATOM 824 CA MET A 53 1.269 -8.625 0.501 1.00 0.35 C ATOM 825 C MET A 53 2.521 -8.704 1.368 1.00 0.34 C ATOM 826 O MET A 53 3.539 -8.095 1.043 1.00 0.35 O ATOM 827 CB MET A 53 0.478 -7.356 0.797 1.00 0.42 C ATOM 828 CG MET A 53 -0.572 -7.054 -0.257 1.00 0.96 C ATOM 829 SD MET A 53 0.140 -6.751 -1.884 1.00 1.28 S ATOM 830 CE MET A 53 1.113 -5.278 -1.574 1.00 0.79 C ATOM 0 H MET A 53 -0.403 -9.655 1.234 1.00 0.35 H new ATOM 0 HA MET A 53 1.593 -8.590 -0.539 1.00 0.35 H new ATOM 0 HB2 MET A 53 -0.007 -7.455 1.768 1.00 0.42 H new ATOM 0 HB3 MET A 53 1.166 -6.514 0.869 1.00 0.42 H new ATOM 0 HG2 MET A 53 -1.268 -7.890 -0.320 1.00 0.96 H new ATOM 0 HG3 MET A 53 -1.149 -6.182 0.051 1.00 0.96 H new ATOM 0 HE1 MET A 53 1.363 -4.801 -2.522 1.00 0.79 H new ATOM 0 HE2 MET A 53 0.538 -4.585 -0.960 1.00 0.79 H new ATOM 0 HE3 MET A 53 2.030 -5.551 -1.052 1.00 0.79 H new ATOM 840 N THR A 54 2.448 -9.448 2.465 1.00 0.37 N ATOM 841 CA THR A 54 3.621 -9.696 3.292 1.00 0.45 C ATOM 842 C THR A 54 4.655 -10.527 2.519 1.00 0.45 C ATOM 843 O THR A 54 5.855 -10.256 2.569 1.00 0.48 O ATOM 844 CB THR A 54 3.234 -10.422 4.594 1.00 0.55 C ATOM 845 OG1 THR A 54 2.120 -9.755 5.202 1.00 0.57 O ATOM 846 CG2 THR A 54 4.400 -10.454 5.572 1.00 0.72 C ATOM 0 H THR A 54 1.592 -9.889 2.801 1.00 0.37 H new ATOM 0 HA THR A 54 4.059 -8.732 3.550 1.00 0.45 H new ATOM 0 HB THR A 54 2.965 -11.449 4.346 1.00 0.55 H new ATOM 0 HG1 THR A 54 1.344 -9.805 4.606 1.00 0.57 H new ATOM 0 HG21 THR A 54 4.098 -10.973 6.482 1.00 0.72 H new ATOM 0 HG22 THR A 54 5.241 -10.978 5.118 1.00 0.72 H new ATOM 0 HG23 THR A 54 4.697 -9.434 5.817 1.00 0.72 H new ATOM 854 N LYS A 55 4.178 -11.530 1.784 1.00 0.46 N ATOM 855 CA LYS A 55 5.044 -12.329 0.921 1.00 0.52 C ATOM 856 C LYS A 55 5.501 -11.495 -0.259 1.00 0.41 C ATOM 857 O LYS A 55 6.607 -11.666 -0.763 1.00 0.42 O ATOM 858 CB LYS A 55 4.331 -13.595 0.425 1.00 0.67 C ATOM 859 CG LYS A 55 4.367 -14.763 1.405 1.00 0.95 C ATOM 860 CD LYS A 55 3.809 -14.379 2.763 1.00 1.14 C ATOM 861 CE LYS A 55 3.522 -15.594 3.625 1.00 1.37 C ATOM 862 NZ LYS A 55 2.576 -16.533 2.969 1.00 1.49 N ATOM 0 H LYS A 55 3.197 -11.808 1.769 1.00 0.46 H new ATOM 0 HA LYS A 55 5.909 -12.641 1.506 1.00 0.52 H new ATOM 0 HB2 LYS A 55 3.291 -13.350 0.208 1.00 0.67 H new ATOM 0 HB3 LYS A 55 4.787 -13.910 -0.514 1.00 0.67 H new ATOM 0 HG2 LYS A 55 3.793 -15.596 0.999 1.00 0.95 H new ATOM 0 HG3 LYS A 55 5.394 -15.110 1.519 1.00 0.95 H new ATOM 0 HD2 LYS A 55 4.519 -13.730 3.276 1.00 1.14 H new ATOM 0 HD3 LYS A 55 2.892 -13.805 2.629 1.00 1.14 H new ATOM 0 HE2 LYS A 55 4.456 -16.113 3.842 1.00 1.37 H new ATOM 0 HE3 LYS A 55 3.108 -15.271 4.580 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 1.849 -16.827 3.652 1.00 1.49 H new ATOM 0 HZ2 LYS A 55 2.121 -16.060 2.162 1.00 1.49 H new ATOM 0 HZ3 LYS A 55 3.094 -17.370 2.633 1.00 1.49 H new ATOM 876 N SER A 56 4.646 -10.578 -0.686 1.00 0.36 N ATOM 877 CA SER A 56 5.006 -9.633 -1.723 1.00 0.34 C ATOM 878 C SER A 56 6.113 -8.698 -1.229 1.00 0.28 C ATOM 879 O SER A 56 6.937 -8.235 -2.010 1.00 0.28 O ATOM 880 CB SER A 56 3.773 -8.842 -2.170 1.00 0.39 C ATOM 881 OG SER A 56 2.798 -9.701 -2.741 1.00 1.26 O ATOM 0 H SER A 56 3.697 -10.471 -0.327 1.00 0.36 H new ATOM 0 HA SER A 56 5.387 -10.181 -2.585 1.00 0.34 H new ATOM 0 HB2 SER A 56 3.345 -8.316 -1.317 1.00 0.39 H new ATOM 0 HB3 SER A 56 4.066 -8.085 -2.897 1.00 0.39 H new ATOM 0 HG SER A 56 2.378 -10.235 -2.034 1.00 1.26 H new ATOM 887 N HIS A 57 6.136 -8.438 0.078 1.00 0.29 N ATOM 888 CA HIS A 57 7.224 -7.683 0.697 1.00 0.30 C ATOM 889 C HIS A 57 8.513 -8.502 0.637 1.00 0.31 C ATOM 890 O HIS A 57 9.592 -7.957 0.409 1.00 0.34 O ATOM 891 CB HIS A 57 6.868 -7.326 2.152 1.00 0.35 C ATOM 892 CG HIS A 57 7.952 -6.612 2.919 1.00 0.36 C ATOM 893 ND1 HIS A 57 8.344 -6.990 4.184 1.00 0.53 N ATOM 894 CD2 HIS A 57 8.694 -5.517 2.613 1.00 0.34 C ATOM 895 CE1 HIS A 57 9.277 -6.166 4.624 1.00 0.51 C ATOM 896 NE2 HIS A 57 9.509 -5.263 3.693 1.00 0.39 N ATOM 0 H HIS A 57 5.412 -8.740 0.729 1.00 0.29 H new ATOM 0 HA HIS A 57 7.374 -6.752 0.150 1.00 0.30 H new ATOM 0 HB2 HIS A 57 5.975 -6.701 2.148 1.00 0.35 H new ATOM 0 HB3 HIS A 57 6.613 -8.243 2.683 1.00 0.35 H new ATOM 0 HD2 HIS A 57 8.653 -4.951 1.694 1.00 0.34 H new ATOM 0 HE1 HIS A 57 9.767 -6.223 5.585 1.00 0.51 H new ATOM 0 HE2 HIS A 57 10.183 -4.500 3.761 1.00 0.39 H new ATOM 905 N GLN A 58 8.381 -9.815 0.816 1.00 0.32 N ATOM 906 CA GLN A 58 9.520 -10.729 0.726 1.00 0.37 C ATOM 907 C GLN A 58 9.974 -10.876 -0.726 1.00 0.33 C ATOM 908 O GLN A 58 11.143 -11.139 -1.005 1.00 0.37 O ATOM 909 CB GLN A 58 9.137 -12.102 1.285 1.00 0.46 C ATOM 910 CG GLN A 58 8.704 -12.078 2.741 1.00 1.24 C ATOM 911 CD GLN A 58 8.204 -13.424 3.228 1.00 1.77 C ATOM 912 OE1 GLN A 58 8.634 -14.473 2.749 1.00 2.36 O ATOM 913 NE2 GLN A 58 7.290 -13.399 4.186 1.00 2.26 N ATOM 0 H GLN A 58 7.493 -10.272 1.025 1.00 0.32 H new ATOM 0 HA GLN A 58 10.340 -10.316 1.313 1.00 0.37 H new ATOM 0 HB2 GLN A 58 8.328 -12.515 0.683 1.00 0.46 H new ATOM 0 HB3 GLN A 58 9.988 -12.775 1.181 1.00 0.46 H new ATOM 0 HG2 GLN A 58 9.544 -11.762 3.360 1.00 1.24 H new ATOM 0 HG3 GLN A 58 7.917 -11.335 2.869 1.00 1.24 H new ATOM 0 HE21 GLN A 58 6.962 -12.506 4.554 1.00 2.26 H new ATOM 0 HE22 GLN A 58 6.914 -14.272 4.556 1.00 2.26 H new ATOM 922 N ASN A 59 9.036 -10.677 -1.642 1.00 0.28 N ATOM 923 CA ASN A 59 9.300 -10.816 -3.069 1.00 0.28 C ATOM 924 C ASN A 59 9.940 -9.547 -3.603 1.00 0.29 C ATOM 925 O ASN A 59 11.005 -9.576 -4.216 1.00 0.34 O ATOM 926 CB ASN A 59 7.995 -11.101 -3.825 1.00 0.30 C ATOM 927 CG ASN A 59 8.193 -11.242 -5.324 1.00 0.38 C ATOM 928 OD1 ASN A 59 8.508 -12.323 -5.817 1.00 0.64 O ATOM 929 ND2 ASN A 59 7.983 -10.161 -6.063 1.00 0.83 N ATOM 0 H ASN A 59 8.075 -10.416 -1.419 1.00 0.28 H new ATOM 0 HA ASN A 59 9.983 -11.652 -3.220 1.00 0.28 H new ATOM 0 HB2 ASN A 59 7.549 -12.016 -3.436 1.00 0.30 H new ATOM 0 HB3 ASN A 59 7.287 -10.295 -3.632 1.00 0.30 H new ATOM 0 HD21 ASN A 59 8.082 -10.209 -7.077 1.00 0.83 H new ATOM 0 HD22 ASN A 59 7.723 -9.281 -5.617 1.00 0.83 H new ATOM 936 N LEU A 60 9.294 -8.425 -3.320 1.00 0.27 N ATOM 937 CA LEU A 60 9.760 -7.115 -3.753 1.00 0.28 C ATOM 938 C LEU A 60 11.140 -6.819 -3.173 1.00 0.34 C ATOM 939 O LEU A 60 11.926 -6.075 -3.759 1.00 0.43 O ATOM 940 CB LEU A 60 8.744 -6.056 -3.312 1.00 0.25 C ATOM 941 CG LEU A 60 9.108 -4.609 -3.622 1.00 0.26 C ATOM 942 CD1 LEU A 60 9.328 -4.416 -5.112 1.00 0.29 C ATOM 943 CD2 LEU A 60 8.022 -3.671 -3.123 1.00 0.33 C ATOM 0 H LEU A 60 8.428 -8.397 -2.781 1.00 0.27 H new ATOM 0 HA LEU A 60 9.848 -7.099 -4.839 1.00 0.28 H new ATOM 0 HB2 LEU A 60 7.788 -6.279 -3.786 1.00 0.25 H new ATOM 0 HB3 LEU A 60 8.595 -6.150 -2.236 1.00 0.25 H new ATOM 0 HG LEU A 60 10.038 -4.373 -3.105 1.00 0.26 H new ATOM 0 HD11 LEU A 60 9.587 -3.376 -5.310 1.00 0.29 H new ATOM 0 HD12 LEU A 60 10.140 -5.062 -5.447 1.00 0.29 H new ATOM 0 HD13 LEU A 60 8.416 -4.672 -5.651 1.00 0.29 H new ATOM 0 HD21 LEU A 60 8.297 -2.641 -3.352 1.00 0.33 H new ATOM 0 HD22 LEU A 60 7.079 -3.912 -3.614 1.00 0.33 H new ATOM 0 HD23 LEU A 60 7.910 -3.785 -2.045 1.00 0.33 H new ATOM 955 N CYS A 61 11.436 -7.461 -2.048 1.00 0.36 N ATOM 956 CA CYS A 61 12.672 -7.244 -1.305 1.00 0.48 C ATOM 957 C CYS A 61 13.905 -7.609 -2.133 1.00 0.58 C ATOM 958 O CYS A 61 15.014 -7.170 -1.826 1.00 0.92 O ATOM 959 CB CYS A 61 12.656 -8.061 -0.007 1.00 0.54 C ATOM 960 SG CYS A 61 13.914 -7.581 1.201 1.00 1.20 S ATOM 0 H CYS A 61 10.819 -8.153 -1.622 1.00 0.36 H new ATOM 0 HA CYS A 61 12.732 -6.182 -1.069 1.00 0.48 H new ATOM 0 HB2 CYS A 61 11.673 -7.966 0.454 1.00 0.54 H new ATOM 0 HB3 CYS A 61 12.792 -9.114 -0.254 1.00 0.54 H new ATOM 0 HG CYS A 61 13.810 -8.331 2.257 1.00 1.20 H new ATOM 966 N THR A 62 13.727 -8.414 -3.178 1.00 0.54 N ATOM 967 CA THR A 62 14.863 -8.915 -3.943 1.00 0.76 C ATOM 968 C THR A 62 14.480 -9.094 -5.408 1.00 0.60 C ATOM 969 O THR A 62 15.135 -9.812 -6.166 1.00 0.82 O ATOM 970 CB THR A 62 15.374 -10.255 -3.364 1.00 1.11 C ATOM 971 OG1 THR A 62 15.349 -10.212 -1.930 1.00 1.27 O ATOM 972 CG2 THR A 62 16.795 -10.547 -3.826 1.00 1.45 C ATOM 0 H THR A 62 12.816 -8.730 -3.511 1.00 0.54 H new ATOM 0 HA THR A 62 15.665 -8.181 -3.872 1.00 0.76 H new ATOM 0 HB THR A 62 14.717 -11.046 -3.725 1.00 1.11 H new ATOM 0 HG1 THR A 62 15.673 -11.065 -1.571 1.00 1.27 H new ATOM 0 HG21 THR A 62 17.127 -11.495 -3.403 1.00 1.45 H new ATOM 0 HG22 THR A 62 16.819 -10.607 -4.914 1.00 1.45 H new ATOM 0 HG23 THR A 62 17.458 -9.749 -3.492 1.00 1.45 H new ATOM 980 N LYS A 63 13.428 -8.406 -5.806 1.00 0.50 N ATOM 981 CA LYS A 63 13.019 -8.386 -7.196 1.00 0.43 C ATOM 982 C LYS A 63 13.176 -6.990 -7.784 1.00 0.39 C ATOM 983 O LYS A 63 13.296 -6.825 -8.997 1.00 0.39 O ATOM 984 CB LYS A 63 11.576 -8.844 -7.330 1.00 0.45 C ATOM 985 CG LYS A 63 11.381 -10.338 -7.133 1.00 0.54 C ATOM 986 CD LYS A 63 11.995 -11.139 -8.272 1.00 0.68 C ATOM 987 CE LYS A 63 11.865 -12.637 -8.041 1.00 0.85 C ATOM 988 NZ LYS A 63 12.392 -13.431 -9.185 1.00 1.76 N ATOM 0 H LYS A 63 12.839 -7.852 -5.184 1.00 0.50 H new ATOM 0 HA LYS A 63 13.662 -9.071 -7.749 1.00 0.43 H new ATOM 0 HB2 LYS A 63 10.967 -8.309 -6.601 1.00 0.45 H new ATOM 0 HB3 LYS A 63 11.208 -8.567 -8.318 1.00 0.45 H new ATOM 0 HG2 LYS A 63 11.832 -10.643 -6.189 1.00 0.54 H new ATOM 0 HG3 LYS A 63 10.316 -10.560 -7.064 1.00 0.54 H new ATOM 0 HD2 LYS A 63 11.507 -10.872 -9.209 1.00 0.68 H new ATOM 0 HD3 LYS A 63 13.048 -10.877 -8.375 1.00 0.68 H new ATOM 0 HE2 LYS A 63 12.402 -12.911 -7.133 1.00 0.85 H new ATOM 0 HE3 LYS A 63 10.817 -12.888 -7.879 1.00 0.85 H new ATOM 0 HZ1 LYS A 63 12.283 -14.445 -8.983 1.00 1.76 H new ATOM 0 HZ2 LYS A 63 11.863 -13.191 -10.047 1.00 1.76 H new ATOM 0 HZ3 LYS A 63 13.399 -13.212 -9.325 1.00 1.76 H new ATOM 1002 N GLY A 64 13.151 -5.984 -6.914 1.00 0.40 N ATOM 1003 CA GLY A 64 13.315 -4.611 -7.358 1.00 0.42 C ATOM 1004 C GLY A 64 12.013 -3.995 -7.820 1.00 0.37 C ATOM 1005 O GLY A 64 11.889 -2.775 -7.913 1.00 0.41 O ATOM 0 H GLY A 64 13.020 -6.096 -5.909 1.00 0.40 H new ATOM 0 HA2 GLY A 64 13.727 -4.015 -6.543 1.00 0.42 H new ATOM 0 HA3 GLY A 64 14.038 -4.579 -8.173 1.00 0.42 H new ATOM 1009 N GLN A 65 11.028 -4.845 -8.068 1.00 0.34 N ATOM 1010 CA GLN A 65 9.738 -4.418 -8.577 1.00 0.33 C ATOM 1011 C GLN A 65 8.755 -5.579 -8.477 1.00 0.34 C ATOM 1012 O GLN A 65 9.138 -6.736 -8.643 1.00 0.43 O ATOM 1013 CB GLN A 65 9.855 -3.934 -10.026 1.00 0.41 C ATOM 1014 CG GLN A 65 8.569 -3.334 -10.570 1.00 0.49 C ATOM 1015 CD GLN A 65 8.756 -2.655 -11.910 1.00 0.81 C ATOM 1016 OE1 GLN A 65 7.951 -1.636 -12.169 1.00 1.37 O flip ATOM 1017 NE2 GLN A 65 9.616 -3.041 -12.704 1.00 1.32 N flip ATOM 0 H GLN A 65 11.103 -5.852 -7.921 1.00 0.34 H new ATOM 0 HA GLN A 65 9.376 -3.582 -7.979 1.00 0.33 H new ATOM 0 HB2 GLN A 65 10.649 -3.190 -10.089 1.00 0.41 H new ATOM 0 HB3 GLN A 65 10.152 -4.771 -10.658 1.00 0.41 H new ATOM 0 HG2 GLN A 65 7.820 -4.120 -10.668 1.00 0.49 H new ATOM 0 HG3 GLN A 65 8.180 -2.611 -9.853 1.00 0.49 H new ATOM 0 HE21 GLN A 65 10.215 -3.831 -12.463 1.00 1.32 H new ATOM 0 HE22 GLN A 65 9.729 -2.571 -13.602 1.00 1.32 H new ATOM 1026 N VAL A 66 7.502 -5.269 -8.190 1.00 0.32 N ATOM 1027 CA VAL A 66 6.491 -6.290 -7.969 1.00 0.35 C ATOM 1028 C VAL A 66 5.138 -5.819 -8.495 1.00 0.33 C ATOM 1029 O VAL A 66 4.833 -4.629 -8.456 1.00 0.32 O ATOM 1030 CB VAL A 66 6.385 -6.637 -6.459 1.00 0.36 C ATOM 1031 CG1 VAL A 66 6.047 -5.408 -5.641 1.00 0.31 C ATOM 1032 CG2 VAL A 66 5.353 -7.712 -6.200 1.00 0.44 C ATOM 0 H VAL A 66 7.159 -4.312 -8.104 1.00 0.32 H new ATOM 0 HA VAL A 66 6.787 -7.188 -8.511 1.00 0.35 H new ATOM 0 HB VAL A 66 7.361 -7.015 -6.155 1.00 0.36 H new ATOM 0 HG11 VAL A 66 5.979 -5.680 -4.588 1.00 0.31 H new ATOM 0 HG12 VAL A 66 6.827 -4.658 -5.773 1.00 0.31 H new ATOM 0 HG13 VAL A 66 5.092 -5.001 -5.973 1.00 0.31 H new ATOM 0 HG21 VAL A 66 5.310 -7.925 -5.132 1.00 0.44 H new ATOM 0 HG22 VAL A 66 4.376 -7.368 -6.541 1.00 0.44 H new ATOM 0 HG23 VAL A 66 5.628 -8.618 -6.740 1.00 0.44 H new ATOM 1042 N VAL A 67 4.340 -6.744 -9.002 1.00 0.39 N ATOM 1043 CA VAL A 67 3.010 -6.409 -9.485 1.00 0.45 C ATOM 1044 C VAL A 67 1.965 -7.269 -8.781 1.00 0.49 C ATOM 1045 O VAL A 67 1.691 -8.399 -9.189 1.00 0.92 O ATOM 1046 CB VAL A 67 2.887 -6.591 -11.016 1.00 0.58 C ATOM 1047 CG1 VAL A 67 1.535 -6.100 -11.512 1.00 0.91 C ATOM 1048 CG2 VAL A 67 4.018 -5.866 -11.737 1.00 1.16 C ATOM 0 H VAL A 67 4.588 -7.729 -9.090 1.00 0.39 H new ATOM 0 HA VAL A 67 2.837 -5.357 -9.259 1.00 0.45 H new ATOM 0 HB VAL A 67 2.965 -7.655 -11.238 1.00 0.58 H new ATOM 0 HG11 VAL A 67 1.471 -6.238 -12.591 1.00 0.91 H new ATOM 0 HG12 VAL A 67 0.741 -6.668 -11.026 1.00 0.91 H new ATOM 0 HG13 VAL A 67 1.422 -5.042 -11.274 1.00 0.91 H new ATOM 0 HG21 VAL A 67 3.913 -6.007 -12.813 1.00 1.16 H new ATOM 0 HG22 VAL A 67 3.975 -4.802 -11.504 1.00 1.16 H new ATOM 0 HG23 VAL A 67 4.976 -6.270 -11.410 1.00 1.16 H new ATOM 1058 N SER A 68 1.422 -6.745 -7.690 1.00 0.52 N ATOM 1059 CA SER A 68 0.382 -7.432 -6.940 1.00 0.54 C ATOM 1060 C SER A 68 -0.971 -7.212 -7.602 1.00 0.53 C ATOM 1061 O SER A 68 -1.078 -6.456 -8.571 1.00 0.94 O ATOM 1062 CB SER A 68 0.362 -6.943 -5.488 1.00 0.58 C ATOM 1063 OG SER A 68 -0.494 -7.740 -4.688 1.00 1.39 O ATOM 0 H SER A 68 1.688 -5.839 -7.303 1.00 0.52 H new ATOM 0 HA SER A 68 0.595 -8.501 -6.937 1.00 0.54 H new ATOM 0 HB2 SER A 68 1.372 -6.968 -5.080 1.00 0.58 H new ATOM 0 HB3 SER A 68 0.031 -5.905 -5.456 1.00 0.58 H new ATOM 0 HG SER A 68 -0.555 -7.354 -3.789 1.00 1.39 H new ATOM 1069 N GLY A 69 -2.004 -7.857 -7.078 1.00 0.46 N ATOM 1070 CA GLY A 69 -3.322 -7.703 -7.622 1.00 0.43 C ATOM 1071 C GLY A 69 -4.249 -7.058 -6.625 1.00 0.38 C ATOM 1072 O GLY A 69 -3.800 -6.573 -5.589 1.00 0.42 O ATOM 0 H GLY A 69 -1.943 -8.488 -6.279 1.00 0.46 H new ATOM 0 HA2 GLY A 69 -3.277 -7.096 -8.526 1.00 0.43 H new ATOM 0 HA3 GLY A 69 -3.715 -8.677 -7.911 1.00 0.43 H new ATOM 1076 N GLN A 70 -5.529 -7.037 -6.956 1.00 0.39 N ATOM 1077 CA GLN A 70 -6.556 -6.550 -6.065 1.00 0.43 C ATOM 1078 C GLN A 70 -6.443 -7.223 -4.698 1.00 0.35 C ATOM 1079 O GLN A 70 -6.654 -8.429 -4.570 1.00 0.36 O ATOM 1080 CB GLN A 70 -7.923 -6.869 -6.657 1.00 0.62 C ATOM 1081 CG GLN A 70 -8.074 -6.531 -8.131 1.00 0.78 C ATOM 1082 CD GLN A 70 -9.422 -6.959 -8.680 1.00 0.78 C ATOM 1083 OE1 GLN A 70 -9.578 -8.068 -9.188 1.00 1.14 O ATOM 1084 NE2 GLN A 70 -10.410 -6.087 -8.572 1.00 1.31 N ATOM 0 H GLN A 70 -5.882 -7.360 -7.857 1.00 0.39 H new ATOM 0 HA GLN A 70 -6.434 -5.474 -5.944 1.00 0.43 H new ATOM 0 HB2 GLN A 70 -8.124 -7.932 -6.520 1.00 0.62 H new ATOM 0 HB3 GLN A 70 -8.683 -6.326 -6.095 1.00 0.62 H new ATOM 0 HG2 GLN A 70 -7.951 -5.457 -8.271 1.00 0.78 H new ATOM 0 HG3 GLN A 70 -7.281 -7.019 -8.697 1.00 0.78 H new ATOM 0 HE21 GLN A 70 -10.242 -5.176 -8.144 1.00 1.31 H new ATOM 0 HE22 GLN A 70 -11.340 -6.325 -8.916 1.00 1.31 H new ATOM 1093 N TYR A 71 -6.099 -6.440 -3.696 1.00 0.35 N ATOM 1094 CA TYR A 71 -6.016 -6.922 -2.330 1.00 0.36 C ATOM 1095 C TYR A 71 -7.094 -6.249 -1.498 1.00 0.32 C ATOM 1096 O TYR A 71 -7.787 -5.356 -1.989 1.00 0.29 O ATOM 1097 CB TYR A 71 -4.624 -6.663 -1.736 1.00 0.38 C ATOM 1098 CG TYR A 71 -4.156 -5.224 -1.796 1.00 0.38 C ATOM 1099 CD1 TYR A 71 -4.847 -4.237 -1.115 1.00 0.38 C ATOM 1100 CD2 TYR A 71 -3.039 -4.850 -2.540 1.00 0.51 C ATOM 1101 CE1 TYR A 71 -4.443 -2.921 -1.167 1.00 0.42 C ATOM 1102 CE2 TYR A 71 -2.632 -3.532 -2.596 1.00 0.62 C ATOM 1103 CZ TYR A 71 -3.256 -2.599 -1.908 1.00 0.54 C ATOM 1104 OH TYR A 71 -2.944 -1.258 -1.965 1.00 0.68 O ATOM 0 H TYR A 71 -5.869 -5.452 -3.804 1.00 0.35 H new ATOM 0 HA TYR A 71 -6.176 -8.000 -2.322 1.00 0.36 H new ATOM 0 HB2 TYR A 71 -4.625 -6.985 -0.695 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -3.900 -7.286 -2.262 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -5.717 -4.503 -0.533 1.00 0.38 H new ATOM 0 HD2 TYR A 71 -2.484 -5.602 -3.081 1.00 0.51 H new ATOM 0 HE1 TYR A 71 -5.006 -2.150 -0.662 1.00 0.42 H new ATOM 0 HE2 TYR A 71 -1.788 -3.262 -3.214 1.00 0.62 H new ATOM 0 HH TYR A 71 -2.274 -1.107 -2.664 1.00 0.68 H new ATOM 1114 N ARG A 72 -7.236 -6.651 -0.246 1.00 0.36 N ATOM 1115 CA ARG A 72 -8.291 -6.097 0.594 1.00 0.33 C ATOM 1116 C ARG A 72 -7.731 -5.087 1.582 1.00 0.27 C ATOM 1117 O ARG A 72 -7.181 -5.483 2.607 1.00 0.28 O ATOM 1118 CB ARG A 72 -8.994 -7.198 1.388 1.00 0.43 C ATOM 1119 CG ARG A 72 -9.775 -8.193 0.553 1.00 0.65 C ATOM 1120 CD ARG A 72 -10.488 -9.184 1.454 1.00 1.06 C ATOM 1121 NE ARG A 72 -11.378 -10.077 0.721 1.00 1.10 N ATOM 1122 CZ ARG A 72 -12.687 -10.169 0.949 1.00 1.51 C ATOM 1123 NH1 ARG A 72 -13.258 -9.397 1.869 1.00 2.43 N ATOM 1124 NH2 ARG A 72 -13.417 -11.034 0.264 1.00 1.52 N ATOM 0 H ARG A 72 -6.646 -7.348 0.208 1.00 0.36 H new ATOM 0 HA ARG A 72 -9.001 -5.608 -0.072 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -8.247 -7.740 1.967 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -9.674 -6.733 2.101 1.00 0.43 H new ATOM 0 HG2 ARG A 72 -10.500 -7.668 -0.069 1.00 0.65 H new ATOM 0 HG3 ARG A 72 -9.101 -8.722 -0.121 1.00 0.65 H new ATOM 0 HD2 ARG A 72 -9.748 -9.777 1.991 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -11.064 -8.639 2.202 1.00 1.06 H new ATOM 0 HE ARG A 72 -10.975 -10.665 -0.008 1.00 1.10 H new ATOM 0 HH11 ARG A 72 -12.693 -8.734 2.400 1.00 2.43 H new ATOM 0 HH12 ARG A 72 -14.261 -9.468 2.043 1.00 2.43 H new ATOM 0 HH21 ARG A 72 -12.977 -11.629 -0.438 1.00 1.52 H new ATOM 0 HH22 ARG A 72 -14.420 -11.105 0.438 1.00 1.52 H new ATOM 1138 N MET A 73 -7.905 -3.792 1.333 1.00 0.26 N ATOM 1139 CA MET A 73 -7.403 -2.818 2.300 1.00 0.26 C ATOM 1140 C MET A 73 -8.516 -2.438 3.273 1.00 0.23 C ATOM 1141 O MET A 73 -9.620 -2.118 2.850 1.00 0.24 O ATOM 1142 CB MET A 73 -6.851 -1.566 1.640 1.00 0.30 C ATOM 1143 CG MET A 73 -5.909 -0.799 2.555 1.00 0.35 C ATOM 1144 SD MET A 73 -4.238 -1.480 2.547 1.00 0.77 S ATOM 1145 CE MET A 73 -3.352 -0.203 3.434 1.00 0.60 C ATOM 0 H MET A 73 -8.367 -3.404 0.511 1.00 0.26 H new ATOM 0 HA MET A 73 -6.578 -3.291 2.833 1.00 0.26 H new ATOM 0 HB2 MET A 73 -6.323 -1.842 0.727 1.00 0.30 H new ATOM 0 HB3 MET A 73 -7.677 -0.918 1.347 1.00 0.30 H new ATOM 0 HG2 MET A 73 -5.875 0.245 2.244 1.00 0.35 H new ATOM 0 HG3 MET A 73 -6.301 -0.816 3.572 1.00 0.35 H new ATOM 0 HE1 MET A 73 -2.504 0.133 2.837 1.00 0.60 H new ATOM 0 HE2 MET A 73 -4.019 0.638 3.623 1.00 0.60 H new ATOM 0 HE3 MET A 73 -2.993 -0.601 4.383 1.00 0.60 H new ATOM 1155 N LEU A 74 -8.202 -2.482 4.567 1.00 0.22 N ATOM 1156 CA LEU A 74 -9.189 -2.346 5.650 1.00 0.25 C ATOM 1157 C LEU A 74 -9.970 -1.036 5.686 1.00 0.33 C ATOM 1158 O LEU A 74 -10.870 -0.873 6.519 1.00 0.74 O ATOM 1159 CB LEU A 74 -8.466 -2.495 6.977 1.00 0.24 C ATOM 1160 CG LEU A 74 -9.360 -2.654 8.201 1.00 0.30 C ATOM 1161 CD1 LEU A 74 -9.925 -4.055 8.241 1.00 0.34 C ATOM 1162 CD2 LEU A 74 -8.605 -2.327 9.478 1.00 0.42 C ATOM 0 H LEU A 74 -7.248 -2.614 4.902 1.00 0.22 H new ATOM 0 HA LEU A 74 -9.929 -3.124 5.462 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -7.807 -3.361 6.916 1.00 0.24 H new ATOM 0 HB3 LEU A 74 -7.831 -1.621 7.124 1.00 0.24 H new ATOM 0 HG LEU A 74 -10.186 -1.947 8.127 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -10.564 -4.165 9.117 1.00 0.34 H new ATOM 0 HD12 LEU A 74 -10.511 -4.237 7.340 1.00 0.34 H new ATOM 0 HD13 LEU A 74 -9.109 -4.775 8.294 1.00 0.34 H new ATOM 0 HD21 LEU A 74 -9.268 -2.449 10.334 1.00 0.42 H new ATOM 0 HD22 LEU A 74 -7.753 -3.000 9.580 1.00 0.42 H new ATOM 0 HD23 LEU A 74 -8.251 -1.297 9.438 1.00 0.42 H new ATOM 1174 N ALA A 75 -9.617 -0.097 4.857 1.00 0.27 N ATOM 1175 CA ALA A 75 -10.322 1.177 4.833 1.00 0.26 C ATOM 1176 C ALA A 75 -10.208 1.858 6.194 1.00 0.31 C ATOM 1177 O ALA A 75 -9.363 1.495 7.011 1.00 0.60 O ATOM 1178 CB ALA A 75 -11.778 0.996 4.417 1.00 0.29 C ATOM 0 H ALA A 75 -8.852 -0.176 4.188 1.00 0.27 H new ATOM 0 HA ALA A 75 -9.857 1.820 4.086 1.00 0.26 H new ATOM 0 HB1 ALA A 75 -12.277 1.965 4.409 1.00 0.29 H new ATOM 0 HB2 ALA A 75 -11.820 0.558 3.420 1.00 0.29 H new ATOM 0 HB3 ALA A 75 -12.279 0.336 5.125 1.00 0.29 H new ATOM 1184 N LYS A 76 -11.049 2.837 6.436 1.00 0.28 N ATOM 1185 CA LYS A 76 -10.973 3.623 7.646 1.00 0.30 C ATOM 1186 C LYS A 76 -11.747 2.983 8.799 1.00 0.33 C ATOM 1187 O LYS A 76 -11.394 3.140 9.963 1.00 0.42 O ATOM 1188 CB LYS A 76 -11.548 4.996 7.356 1.00 0.39 C ATOM 1189 CG LYS A 76 -11.331 5.973 8.481 1.00 0.41 C ATOM 1190 CD LYS A 76 -11.833 7.365 8.126 1.00 0.47 C ATOM 1191 CE LYS A 76 -13.326 7.373 7.817 1.00 0.53 C ATOM 1192 NZ LYS A 76 -14.154 7.114 9.027 1.00 1.23 N ATOM 0 H LYS A 76 -11.801 3.110 5.804 1.00 0.28 H new ATOM 0 HA LYS A 76 -9.929 3.687 7.952 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -11.093 5.390 6.447 1.00 0.39 H new ATOM 0 HB3 LYS A 76 -12.617 4.903 7.163 1.00 0.39 H new ATOM 0 HG2 LYS A 76 -11.845 5.618 9.374 1.00 0.41 H new ATOM 0 HG3 LYS A 76 -10.269 6.020 8.722 1.00 0.41 H new ATOM 0 HD2 LYS A 76 -11.631 8.045 8.953 1.00 0.47 H new ATOM 0 HD3 LYS A 76 -11.282 7.740 7.263 1.00 0.47 H new ATOM 0 HE2 LYS A 76 -13.601 8.337 7.390 1.00 0.53 H new ATOM 0 HE3 LYS A 76 -13.543 6.617 7.062 1.00 0.53 H new ATOM 0 HZ1 LYS A 76 -15.162 7.179 8.779 1.00 1.23 H new ATOM 0 HZ2 LYS A 76 -13.948 6.162 9.391 1.00 1.23 H new ATOM 0 HZ3 LYS A 76 -13.931 7.820 9.758 1.00 1.23 H new ATOM 1206 N HIS A 77 -12.798 2.258 8.462 1.00 0.44 N ATOM 1207 CA HIS A 77 -13.753 1.782 9.463 1.00 0.62 C ATOM 1208 C HIS A 77 -13.836 0.265 9.474 1.00 0.69 C ATOM 1209 O HIS A 77 -14.848 -0.313 9.866 1.00 0.89 O ATOM 1210 CB HIS A 77 -15.143 2.402 9.222 1.00 0.77 C ATOM 1211 CG HIS A 77 -15.466 2.677 7.778 1.00 0.68 C ATOM 1212 ND1 HIS A 77 -15.002 3.637 6.944 1.00 0.74 N flip ATOM 1213 CD2 HIS A 77 -16.364 1.941 7.037 1.00 0.67 C flip ATOM 1214 CE1 HIS A 77 -15.615 3.466 5.735 1.00 0.70 C flip ATOM 1215 NE2 HIS A 77 -16.433 2.440 5.813 1.00 0.69 N flip ATOM 0 H HIS A 77 -13.017 1.983 7.505 1.00 0.44 H new ATOM 0 HA HIS A 77 -13.396 2.100 10.442 1.00 0.62 H new ATOM 0 HB2 HIS A 77 -15.900 1.732 9.629 1.00 0.77 H new ATOM 0 HB3 HIS A 77 -15.211 3.336 9.780 1.00 0.77 H new ATOM 0 HD2 HIS A 77 -16.924 1.091 7.398 1.00 0.67 H new ATOM 0 HE1 HIS A 77 -15.454 4.075 4.858 1.00 0.70 H new ATOM 0 HE2 HIS A 77 -17.021 2.088 5.058 1.00 0.69 H new ATOM 1224 N GLY A 78 -12.766 -0.373 9.035 1.00 0.58 N ATOM 1225 CA GLY A 78 -12.707 -1.823 9.078 1.00 0.72 C ATOM 1226 C GLY A 78 -13.374 -2.447 7.875 1.00 0.76 C ATOM 1227 O GLY A 78 -13.735 -3.623 7.883 1.00 1.31 O ATOM 0 H GLY A 78 -11.938 0.081 8.650 1.00 0.58 H new ATOM 0 HA2 GLY A 78 -11.666 -2.143 9.123 1.00 0.72 H new ATOM 0 HA3 GLY A 78 -13.190 -2.180 9.988 1.00 0.72 H new ATOM 1231 N GLY A 79 -13.571 -1.635 6.852 1.00 0.37 N ATOM 1232 CA GLY A 79 -14.125 -2.115 5.611 1.00 0.37 C ATOM 1233 C GLY A 79 -13.032 -2.629 4.714 1.00 0.28 C ATOM 1234 O GLY A 79 -11.914 -2.819 5.155 1.00 0.29 O ATOM 0 H GLY A 79 -13.353 -0.639 6.862 1.00 0.37 H new ATOM 0 HA2 GLY A 79 -14.845 -2.909 5.810 1.00 0.37 H new ATOM 0 HA3 GLY A 79 -14.666 -1.311 5.112 1.00 0.37 H new ATOM 1238 N TYR A 80 -13.330 -2.858 3.462 1.00 0.24 N ATOM 1239 CA TYR A 80 -12.301 -3.270 2.539 1.00 0.21 C ATOM 1240 C TYR A 80 -12.517 -2.659 1.187 1.00 0.22 C ATOM 1241 O TYR A 80 -13.632 -2.588 0.683 1.00 0.28 O ATOM 1242 CB TYR A 80 -12.216 -4.788 2.402 1.00 0.26 C ATOM 1243 CG TYR A 80 -11.818 -5.485 3.675 1.00 0.26 C ATOM 1244 CD1 TYR A 80 -10.531 -5.376 4.179 1.00 0.23 C ATOM 1245 CD2 TYR A 80 -12.735 -6.262 4.365 1.00 0.34 C ATOM 1246 CE1 TYR A 80 -10.171 -6.025 5.340 1.00 0.26 C ATOM 1247 CE2 TYR A 80 -12.384 -6.914 5.524 1.00 0.37 C ATOM 1248 CZ TYR A 80 -11.070 -6.746 6.025 1.00 0.33 C ATOM 1249 OH TYR A 80 -10.744 -7.430 7.168 1.00 0.38 O ATOM 0 H TYR A 80 -14.263 -2.768 3.060 1.00 0.24 H new ATOM 0 HA TYR A 80 -11.357 -2.915 2.953 1.00 0.21 H new ATOM 0 HB2 TYR A 80 -13.183 -5.170 2.075 1.00 0.26 H new ATOM 0 HB3 TYR A 80 -11.496 -5.035 1.622 1.00 0.26 H new ATOM 0 HD1 TYR A 80 -9.802 -4.775 3.655 1.00 0.23 H new ATOM 0 HD2 TYR A 80 -13.742 -6.357 3.986 1.00 0.34 H new ATOM 0 HE1 TYR A 80 -9.156 -5.952 5.701 1.00 0.26 H new ATOM 0 HE2 TYR A 80 -13.095 -7.541 6.041 1.00 0.37 H new ATOM 0 HH TYR A 80 -11.539 -7.889 7.513 1.00 0.38 H new ATOM 1259 N VAL A 81 -11.437 -2.196 0.624 1.00 0.24 N ATOM 1260 CA VAL A 81 -11.428 -1.713 -0.725 1.00 0.28 C ATOM 1261 C VAL A 81 -10.395 -2.511 -1.499 1.00 0.26 C ATOM 1262 O VAL A 81 -9.325 -2.816 -0.971 1.00 0.26 O ATOM 1263 CB VAL A 81 -11.134 -0.197 -0.773 1.00 0.32 C ATOM 1264 CG1 VAL A 81 -12.376 0.580 -0.374 1.00 0.39 C ATOM 1265 CG2 VAL A 81 -9.988 0.165 0.161 1.00 0.30 C ATOM 0 H VAL A 81 -10.533 -2.143 1.093 1.00 0.24 H new ATOM 0 HA VAL A 81 -12.410 -1.847 -1.179 1.00 0.28 H new ATOM 0 HB VAL A 81 -10.847 0.063 -1.792 1.00 0.32 H new ATOM 0 HG11 VAL A 81 -12.164 1.649 -0.409 1.00 0.39 H new ATOM 0 HG12 VAL A 81 -13.187 0.348 -1.064 1.00 0.39 H new ATOM 0 HG13 VAL A 81 -12.670 0.302 0.638 1.00 0.39 H new ATOM 0 HG21 VAL A 81 -9.801 1.238 0.109 1.00 0.30 H new ATOM 0 HG22 VAL A 81 -10.251 -0.108 1.183 1.00 0.30 H new ATOM 0 HG23 VAL A 81 -9.090 -0.375 -0.139 1.00 0.30 H new ATOM 1275 N TRP A 82 -10.739 -2.912 -2.709 1.00 0.28 N ATOM 1276 CA TRP A 82 -9.847 -3.743 -3.502 1.00 0.29 C ATOM 1277 C TRP A 82 -8.887 -2.888 -4.306 1.00 0.28 C ATOM 1278 O TRP A 82 -9.298 -2.067 -5.128 1.00 0.31 O ATOM 1279 CB TRP A 82 -10.628 -4.668 -4.427 1.00 0.35 C ATOM 1280 CG TRP A 82 -11.365 -5.752 -3.708 1.00 0.37 C ATOM 1281 CD1 TRP A 82 -12.580 -5.650 -3.095 1.00 0.40 C ATOM 1282 CD2 TRP A 82 -10.935 -7.106 -3.534 1.00 0.40 C ATOM 1283 NE1 TRP A 82 -12.936 -6.861 -2.551 1.00 0.44 N ATOM 1284 CE2 TRP A 82 -11.941 -7.770 -2.807 1.00 0.44 C ATOM 1285 CE3 TRP A 82 -9.795 -7.823 -3.921 1.00 0.43 C ATOM 1286 CZ2 TRP A 82 -11.846 -9.115 -2.466 1.00 0.50 C ATOM 1287 CZ3 TRP A 82 -9.705 -9.160 -3.579 1.00 0.49 C ATOM 1288 CH2 TRP A 82 -10.725 -9.793 -2.857 1.00 0.52 C ATOM 0 H TRP A 82 -11.622 -2.679 -3.163 1.00 0.28 H new ATOM 0 HA TRP A 82 -9.272 -4.359 -2.811 1.00 0.29 H new ATOM 0 HB2 TRP A 82 -11.340 -4.076 -5.002 1.00 0.35 H new ATOM 0 HB3 TRP A 82 -9.939 -5.120 -5.141 1.00 0.35 H new ATOM 0 HD1 TRP A 82 -13.175 -4.750 -3.045 1.00 0.40 H new ATOM 0 HE1 TRP A 82 -13.798 -7.052 -2.041 1.00 0.44 H new ATOM 0 HE3 TRP A 82 -9.003 -7.341 -4.475 1.00 0.43 H new ATOM 0 HZ2 TRP A 82 -12.631 -9.607 -1.911 1.00 0.50 H new ATOM 0 HZ3 TRP A 82 -8.833 -9.726 -3.874 1.00 0.49 H new ATOM 0 HH2 TRP A 82 -10.624 -10.838 -2.604 1.00 0.52 H new ATOM 1299 N LEU A 83 -7.606 -3.091 -4.060 1.00 0.28 N ATOM 1300 CA LEU A 83 -6.572 -2.280 -4.680 1.00 0.28 C ATOM 1301 C LEU A 83 -5.506 -3.129 -5.334 1.00 0.29 C ATOM 1302 O LEU A 83 -5.113 -4.155 -4.803 1.00 0.36 O ATOM 1303 CB LEU A 83 -5.908 -1.383 -3.636 1.00 0.28 C ATOM 1304 CG LEU A 83 -6.755 -0.268 -3.037 1.00 0.29 C ATOM 1305 CD1 LEU A 83 -7.354 -0.710 -1.721 1.00 0.29 C ATOM 1306 CD2 LEU A 83 -5.909 0.978 -2.842 1.00 0.40 C ATOM 0 H LEU A 83 -7.254 -3.814 -3.432 1.00 0.28 H new ATOM 0 HA LEU A 83 -7.057 -1.676 -5.447 1.00 0.28 H new ATOM 0 HB2 LEU A 83 -5.557 -2.016 -2.821 1.00 0.28 H new ATOM 0 HB3 LEU A 83 -5.027 -0.931 -4.091 1.00 0.28 H new ATOM 0 HG LEU A 83 -7.569 -0.036 -3.724 1.00 0.29 H new ATOM 0 HD11 LEU A 83 -7.956 0.098 -1.306 1.00 0.29 H new ATOM 0 HD12 LEU A 83 -7.983 -1.585 -1.883 1.00 0.29 H new ATOM 0 HD13 LEU A 83 -6.555 -0.962 -1.024 1.00 0.29 H new ATOM 0 HD21 LEU A 83 -6.522 1.771 -2.413 1.00 0.40 H new ATOM 0 HD22 LEU A 83 -5.082 0.754 -2.168 1.00 0.40 H new ATOM 0 HD23 LEU A 83 -5.515 1.304 -3.804 1.00 0.40 H new ATOM 1318 N GLU A 84 -5.037 -2.677 -6.483 1.00 0.32 N ATOM 1319 CA GLU A 84 -3.933 -3.320 -7.164 1.00 0.34 C ATOM 1320 C GLU A 84 -2.711 -2.432 -7.022 1.00 0.35 C ATOM 1321 O GLU A 84 -2.807 -1.223 -7.197 1.00 0.39 O ATOM 1322 CB GLU A 84 -4.269 -3.545 -8.638 1.00 0.41 C ATOM 1323 CG GLU A 84 -3.973 -4.958 -9.102 1.00 0.59 C ATOM 1324 CD GLU A 84 -4.293 -5.193 -10.562 1.00 0.49 C ATOM 1325 OE1 GLU A 84 -5.486 -5.332 -10.902 1.00 0.88 O ATOM 1326 OE2 GLU A 84 -3.352 -5.273 -11.377 1.00 1.23 O ATOM 0 H GLU A 84 -5.409 -1.859 -6.966 1.00 0.32 H new ATOM 0 HA GLU A 84 -3.737 -4.296 -6.721 1.00 0.34 H new ATOM 0 HB2 GLU A 84 -5.324 -3.328 -8.802 1.00 0.41 H new ATOM 0 HB3 GLU A 84 -3.701 -2.842 -9.246 1.00 0.41 H new ATOM 0 HG2 GLU A 84 -2.919 -5.175 -8.930 1.00 0.59 H new ATOM 0 HG3 GLU A 84 -4.546 -5.659 -8.495 1.00 0.59 H new ATOM 1333 N THR A 85 -1.575 -3.004 -6.681 1.00 0.36 N ATOM 1334 CA THR A 85 -0.415 -2.191 -6.381 1.00 0.37 C ATOM 1335 C THR A 85 0.798 -2.549 -7.214 1.00 0.32 C ATOM 1336 O THR A 85 1.259 -3.696 -7.242 1.00 0.43 O ATOM 1337 CB THR A 85 -0.070 -2.249 -4.883 1.00 0.52 C ATOM 1338 OG1 THR A 85 -1.091 -1.581 -4.133 1.00 0.68 O ATOM 1339 CG2 THR A 85 1.274 -1.603 -4.595 1.00 0.60 C ATOM 0 H THR A 85 -1.430 -4.011 -6.605 1.00 0.36 H new ATOM 0 HA THR A 85 -0.689 -1.170 -6.646 1.00 0.37 H new ATOM 0 HB THR A 85 -0.011 -3.297 -4.589 1.00 0.52 H new ATOM 0 HG1 THR A 85 -0.832 -0.647 -3.988 1.00 0.68 H new ATOM 0 HG21 THR A 85 1.485 -1.662 -3.527 1.00 0.60 H new ATOM 0 HG22 THR A 85 2.055 -2.125 -5.149 1.00 0.60 H new ATOM 0 HG23 THR A 85 1.248 -0.557 -4.902 1.00 0.60 H new ATOM 1347 N GLN A 86 1.294 -1.534 -7.896 1.00 0.29 N ATOM 1348 CA GLN A 86 2.545 -1.610 -8.605 1.00 0.35 C ATOM 1349 C GLN A 86 3.666 -1.277 -7.632 1.00 0.28 C ATOM 1350 O GLN A 86 3.780 -0.140 -7.174 1.00 0.30 O ATOM 1351 CB GLN A 86 2.533 -0.629 -9.779 1.00 0.50 C ATOM 1352 CG GLN A 86 3.604 -0.914 -10.809 1.00 0.70 C ATOM 1353 CD GLN A 86 4.940 -0.255 -10.513 1.00 1.06 C ATOM 1354 OE1 GLN A 86 5.120 0.963 -10.995 1.00 1.95 O flip ATOM 1355 NE2 GLN A 86 5.805 -0.842 -9.868 1.00 1.15 N flip ATOM 0 H GLN A 86 0.831 -0.628 -7.970 1.00 0.29 H new ATOM 0 HA GLN A 86 2.698 -2.612 -9.005 1.00 0.35 H new ATOM 0 HB2 GLN A 86 1.556 -0.663 -10.262 1.00 0.50 H new ATOM 0 HB3 GLN A 86 2.665 0.384 -9.398 1.00 0.50 H new ATOM 0 HG2 GLN A 86 3.750 -1.992 -10.877 1.00 0.70 H new ATOM 0 HG3 GLN A 86 3.253 -0.578 -11.785 1.00 0.70 H new ATOM 0 HE21 GLN A 86 5.627 -1.782 -9.513 1.00 1.15 H new ATOM 0 HE22 GLN A 86 6.701 -0.390 -9.687 1.00 1.15 H new ATOM 1364 N GLY A 87 4.468 -2.269 -7.297 1.00 0.27 N ATOM 1365 CA GLY A 87 5.478 -2.086 -6.287 1.00 0.26 C ATOM 1366 C GLY A 87 6.871 -1.979 -6.863 1.00 0.24 C ATOM 1367 O GLY A 87 7.180 -2.559 -7.898 1.00 0.27 O ATOM 0 H GLY A 87 4.437 -3.202 -7.709 1.00 0.27 H new ATOM 0 HA2 GLY A 87 5.256 -1.184 -5.717 1.00 0.26 H new ATOM 0 HA3 GLY A 87 5.442 -2.922 -5.588 1.00 0.26 H new ATOM 1371 N THR A 88 7.705 -1.246 -6.167 1.00 0.23 N ATOM 1372 CA THR A 88 9.077 -1.000 -6.587 1.00 0.22 C ATOM 1373 C THR A 88 9.948 -0.763 -5.358 1.00 0.25 C ATOM 1374 O THR A 88 9.532 -0.075 -4.432 1.00 0.36 O ATOM 1375 CB THR A 88 9.177 0.235 -7.520 1.00 0.23 C ATOM 1376 OG1 THR A 88 8.237 0.129 -8.599 1.00 0.25 O ATOM 1377 CG2 THR A 88 10.582 0.379 -8.092 1.00 0.24 C ATOM 0 H THR A 88 7.456 -0.797 -5.286 1.00 0.23 H new ATOM 0 HA THR A 88 9.420 -1.875 -7.138 1.00 0.22 H new ATOM 0 HB THR A 88 8.947 1.117 -6.922 1.00 0.23 H new ATOM 0 HG1 THR A 88 8.312 0.917 -9.177 1.00 0.25 H new ATOM 0 HG21 THR A 88 10.622 1.253 -8.742 1.00 0.24 H new ATOM 0 HG22 THR A 88 11.296 0.500 -7.277 1.00 0.24 H new ATOM 0 HG23 THR A 88 10.834 -0.512 -8.666 1.00 0.24 H new ATOM 1385 N VAL A 89 11.134 -1.340 -5.325 1.00 0.28 N ATOM 1386 CA VAL A 89 12.065 -1.051 -4.244 1.00 0.31 C ATOM 1387 C VAL A 89 13.128 -0.085 -4.708 1.00 0.30 C ATOM 1388 O VAL A 89 13.928 -0.387 -5.597 1.00 0.34 O ATOM 1389 CB VAL A 89 12.732 -2.318 -3.658 1.00 0.42 C ATOM 1390 CG1 VAL A 89 13.943 -1.956 -2.811 1.00 0.36 C ATOM 1391 CG2 VAL A 89 11.746 -3.088 -2.810 1.00 0.56 C ATOM 0 H VAL A 89 11.475 -2.002 -6.022 1.00 0.28 H new ATOM 0 HA VAL A 89 11.475 -0.602 -3.445 1.00 0.31 H new ATOM 0 HB VAL A 89 13.057 -2.937 -4.494 1.00 0.42 H new ATOM 0 HG11 VAL A 89 14.393 -2.865 -2.412 1.00 0.36 H new ATOM 0 HG12 VAL A 89 14.673 -1.430 -3.426 1.00 0.36 H new ATOM 0 HG13 VAL A 89 13.632 -1.313 -1.988 1.00 0.36 H new ATOM 0 HG21 VAL A 89 12.230 -3.976 -2.405 1.00 0.56 H new ATOM 0 HG22 VAL A 89 11.401 -2.458 -1.991 1.00 0.56 H new ATOM 0 HG23 VAL A 89 10.895 -3.386 -3.422 1.00 0.56 H new ATOM 1401 N ILE A 90 13.099 1.091 -4.123 1.00 0.27 N ATOM 1402 CA ILE A 90 14.138 2.059 -4.332 1.00 0.30 C ATOM 1403 C ILE A 90 15.260 1.759 -3.349 1.00 0.34 C ATOM 1404 O ILE A 90 15.112 1.909 -2.139 1.00 0.41 O ATOM 1405 CB ILE A 90 13.598 3.507 -4.194 1.00 0.32 C ATOM 1406 CG1 ILE A 90 14.645 4.527 -4.622 1.00 0.71 C ATOM 1407 CG2 ILE A 90 13.137 3.809 -2.785 1.00 0.73 C ATOM 1408 CD1 ILE A 90 14.073 5.914 -4.796 1.00 0.78 C ATOM 0 H ILE A 90 12.357 1.397 -3.494 1.00 0.27 H new ATOM 0 HA ILE A 90 14.524 1.988 -5.349 1.00 0.30 H new ATOM 0 HB ILE A 90 12.736 3.582 -4.856 1.00 0.32 H new ATOM 0 HG12 ILE A 90 15.441 4.558 -3.878 1.00 0.71 H new ATOM 0 HG13 ILE A 90 15.097 4.205 -5.560 1.00 0.71 H new ATOM 0 HG21 ILE A 90 12.767 4.833 -2.735 1.00 0.73 H new ATOM 0 HG22 ILE A 90 12.338 3.121 -2.508 1.00 0.73 H new ATOM 0 HG23 ILE A 90 13.973 3.691 -2.096 1.00 0.73 H new ATOM 0 HD11 ILE A 90 14.865 6.598 -5.101 1.00 0.78 H new ATOM 0 HD12 ILE A 90 13.296 5.894 -5.560 1.00 0.78 H new ATOM 0 HD13 ILE A 90 13.645 6.252 -3.852 1.00 0.78 H new ATOM 1420 N TYR A 91 16.344 1.212 -3.857 1.00 0.36 N ATOM 1421 CA TYR A 91 17.438 0.818 -2.996 1.00 0.42 C ATOM 1422 C TYR A 91 18.328 1.995 -2.646 1.00 0.48 C ATOM 1423 O TYR A 91 18.408 2.980 -3.378 1.00 0.58 O ATOM 1424 CB TYR A 91 18.302 -0.267 -3.613 1.00 0.51 C ATOM 1425 CG TYR A 91 17.577 -1.521 -4.049 1.00 0.43 C ATOM 1426 CD1 TYR A 91 16.946 -1.579 -5.284 1.00 0.45 C ATOM 1427 CD2 TYR A 91 17.492 -2.628 -3.215 1.00 0.55 C ATOM 1428 CE1 TYR A 91 16.257 -2.708 -5.680 1.00 0.61 C ATOM 1429 CE2 TYR A 91 16.799 -3.759 -3.601 1.00 0.76 C ATOM 1430 CZ TYR A 91 16.309 -3.856 -4.864 1.00 0.79 C ATOM 1431 OH TYR A 91 15.486 -4.918 -5.215 1.00 1.06 O ATOM 0 H TYR A 91 16.491 1.032 -4.850 1.00 0.36 H new ATOM 0 HA TYR A 91 16.969 0.427 -2.093 1.00 0.42 H new ATOM 0 HB2 TYR A 91 18.815 0.152 -4.479 1.00 0.51 H new ATOM 0 HB3 TYR A 91 19.070 -0.547 -2.892 1.00 0.51 H new ATOM 0 HD1 TYR A 91 16.995 -0.727 -5.946 1.00 0.45 H new ATOM 0 HD2 TYR A 91 17.975 -2.604 -2.249 1.00 0.55 H new ATOM 0 HE1 TYR A 91 15.689 -2.711 -6.598 1.00 0.61 H new ATOM 0 HE2 TYR A 91 16.647 -4.565 -2.899 1.00 0.76 H new ATOM 0 HH TYR A 91 15.610 -5.653 -4.578 1.00 1.06 H new ATOM 1441 N ASN A 92 18.986 1.869 -1.510 1.00 0.57 N ATOM 1442 CA ASN A 92 19.945 2.857 -1.047 1.00 0.71 C ATOM 1443 C ASN A 92 21.139 2.901 -1.978 1.00 0.69 C ATOM 1444 O ASN A 92 21.741 1.885 -2.221 1.00 0.63 O ATOM 1445 CB ASN A 92 20.440 2.465 0.333 1.00 0.83 C ATOM 1446 CG ASN A 92 21.047 3.632 1.070 1.00 1.09 C ATOM 1447 OD1 ASN A 92 22.247 3.888 0.976 1.00 1.77 O ATOM 1448 ND2 ASN A 92 20.219 4.351 1.791 1.00 1.50 N ATOM 0 H ASN A 92 18.871 1.076 -0.879 1.00 0.57 H new ATOM 0 HA ASN A 92 19.458 3.832 -1.021 1.00 0.71 H new ATOM 0 HB2 ASN A 92 19.611 2.061 0.914 1.00 0.83 H new ATOM 0 HB3 ASN A 92 21.181 1.671 0.240 1.00 0.83 H new ATOM 0 HD21 ASN A 92 20.563 5.162 2.305 1.00 1.50 H new ATOM 0 HD22 ASN A 92 19.232 4.098 1.838 1.00 1.50 H new ATOM 1455 N PRO A 93 21.533 4.054 -2.495 1.00 0.84 N ATOM 1456 CA PRO A 93 22.661 4.111 -3.425 1.00 0.91 C ATOM 1457 C PRO A 93 23.970 3.627 -2.810 1.00 0.96 C ATOM 1458 O PRO A 93 24.767 2.962 -3.467 1.00 1.00 O ATOM 1459 CB PRO A 93 22.758 5.580 -3.798 1.00 1.13 C ATOM 1460 CG PRO A 93 21.993 6.318 -2.747 1.00 1.23 C ATOM 1461 CD PRO A 93 20.936 5.374 -2.251 1.00 1.00 C ATOM 0 HA PRO A 93 22.498 3.453 -4.279 1.00 0.91 H new ATOM 0 HB2 PRO A 93 23.797 5.908 -3.828 1.00 1.13 H new ATOM 0 HB3 PRO A 93 22.338 5.761 -4.787 1.00 1.13 H new ATOM 0 HG2 PRO A 93 22.650 6.628 -1.934 1.00 1.23 H new ATOM 0 HG3 PRO A 93 21.544 7.223 -3.157 1.00 1.23 H new ATOM 0 HD2 PRO A 93 20.719 5.530 -1.194 1.00 1.00 H new ATOM 0 HD3 PRO A 93 19.997 5.499 -2.791 1.00 1.00 H new ATOM 1469 N ARG A 94 24.183 3.947 -1.542 1.00 1.03 N ATOM 1470 CA ARG A 94 25.432 3.598 -0.880 1.00 1.13 C ATOM 1471 C ARG A 94 25.346 2.234 -0.205 1.00 1.04 C ATOM 1472 O ARG A 94 26.275 1.432 -0.288 1.00 1.16 O ATOM 1473 CB ARG A 94 25.813 4.675 0.136 1.00 1.37 C ATOM 1474 CG ARG A 94 25.993 6.047 -0.492 1.00 1.93 C ATOM 1475 CD ARG A 94 26.488 7.068 0.509 1.00 2.43 C ATOM 1476 NE ARG A 94 25.534 7.301 1.592 1.00 3.09 N ATOM 1477 CZ ARG A 94 25.637 8.297 2.464 1.00 3.87 C ATOM 1478 NH1 ARG A 94 26.651 9.148 2.390 1.00 4.14 N ATOM 1479 NH2 ARG A 94 24.726 8.446 3.415 1.00 4.77 N ATOM 0 H ARG A 94 23.513 4.444 -0.955 1.00 1.03 H new ATOM 0 HA ARG A 94 26.209 3.540 -1.642 1.00 1.13 H new ATOM 0 HB2 ARG A 94 25.041 4.731 0.904 1.00 1.37 H new ATOM 0 HB3 ARG A 94 26.738 4.385 0.634 1.00 1.37 H new ATOM 0 HG2 ARG A 94 26.700 5.977 -1.319 1.00 1.93 H new ATOM 0 HG3 ARG A 94 25.044 6.381 -0.911 1.00 1.93 H new ATOM 0 HD2 ARG A 94 27.435 6.729 0.930 1.00 2.43 H new ATOM 0 HD3 ARG A 94 26.686 8.009 -0.005 1.00 2.43 H new ATOM 0 HE ARG A 94 24.744 6.662 1.683 1.00 3.09 H new ATOM 0 HH11 ARG A 94 27.356 9.039 1.661 1.00 4.14 H new ATOM 0 HH12 ARG A 94 26.726 9.912 3.062 1.00 4.14 H new ATOM 0 HH21 ARG A 94 23.944 7.795 3.478 1.00 4.77 H new ATOM 0 HH22 ARG A 94 24.807 9.212 4.084 1.00 4.77 H new ATOM 1493 N ASN A 95 24.216 1.950 0.426 1.00 0.99 N ATOM 1494 CA ASN A 95 24.074 0.731 1.223 1.00 1.00 C ATOM 1495 C ASN A 95 23.375 -0.351 0.404 1.00 0.85 C ATOM 1496 O ASN A 95 23.574 -1.545 0.619 1.00 0.92 O ATOM 1497 CB ASN A 95 23.274 1.027 2.502 1.00 1.15 C ATOM 1498 CG ASN A 95 23.470 -0.018 3.588 1.00 1.58 C ATOM 1499 OD1 ASN A 95 23.779 -1.177 3.315 1.00 2.23 O ATOM 1500 ND2 ASN A 95 23.261 0.381 4.832 1.00 1.99 N ATOM 0 H ASN A 95 23.385 2.541 0.405 1.00 0.99 H new ATOM 0 HA ASN A 95 25.065 0.375 1.503 1.00 1.00 H new ATOM 0 HB2 ASN A 95 23.568 2.003 2.889 1.00 1.15 H new ATOM 0 HB3 ASN A 95 22.214 1.089 2.254 1.00 1.15 H new ATOM 0 HD21 ASN A 95 23.355 -0.281 5.602 1.00 1.99 H new ATOM 0 HD22 ASN A 95 23.006 1.350 5.021 1.00 1.99 H new ATOM 1507 N LEU A 96 22.601 0.100 -0.574 1.00 0.72 N ATOM 1508 CA LEU A 96 21.744 -0.754 -1.401 1.00 0.63 C ATOM 1509 C LEU A 96 20.867 -1.704 -0.600 1.00 0.64 C ATOM 1510 O LEU A 96 20.439 -2.745 -1.098 1.00 0.67 O ATOM 1511 CB LEU A 96 22.552 -1.494 -2.457 1.00 0.74 C ATOM 1512 CG LEU A 96 22.986 -0.616 -3.636 1.00 0.86 C ATOM 1513 CD1 LEU A 96 23.818 -1.399 -4.631 1.00 1.22 C ATOM 1514 CD2 LEU A 96 21.765 -0.019 -4.323 1.00 1.76 C ATOM 0 H LEU A 96 22.547 1.088 -0.823 1.00 0.72 H new ATOM 0 HA LEU A 96 21.055 -0.079 -1.908 1.00 0.63 H new ATOM 0 HB2 LEU A 96 23.439 -1.921 -1.989 1.00 0.74 H new ATOM 0 HB3 LEU A 96 21.960 -2.327 -2.836 1.00 0.74 H new ATOM 0 HG LEU A 96 23.606 0.191 -3.244 1.00 0.86 H new ATOM 0 HD11 LEU A 96 24.109 -0.747 -5.455 1.00 1.22 H new ATOM 0 HD12 LEU A 96 24.711 -1.781 -4.137 1.00 1.22 H new ATOM 0 HD13 LEU A 96 23.233 -2.233 -5.018 1.00 1.22 H new ATOM 0 HD21 LEU A 96 22.086 0.603 -5.159 1.00 1.76 H new ATOM 0 HD22 LEU A 96 21.126 -0.822 -4.692 1.00 1.76 H new ATOM 0 HD23 LEU A 96 21.208 0.590 -3.611 1.00 1.76 H new ATOM 1526 N GLN A 97 20.581 -1.328 0.631 1.00 0.71 N ATOM 1527 CA GLN A 97 19.485 -1.924 1.366 1.00 0.76 C ATOM 1528 C GLN A 97 18.200 -1.299 0.844 1.00 0.64 C ATOM 1529 O GLN A 97 18.259 -0.236 0.216 1.00 0.61 O ATOM 1530 CB GLN A 97 19.640 -1.660 2.867 1.00 0.94 C ATOM 1531 CG GLN A 97 19.943 -0.209 3.198 1.00 1.21 C ATOM 1532 CD GLN A 97 19.012 0.370 4.242 1.00 2.02 C ATOM 1533 OE1 GLN A 97 19.272 0.293 5.443 1.00 2.29 O ATOM 1534 NE2 GLN A 97 17.929 0.970 3.785 1.00 2.81 N ATOM 0 H GLN A 97 21.094 -0.611 1.143 1.00 0.71 H new ATOM 0 HA GLN A 97 19.470 -3.005 1.226 1.00 0.76 H new ATOM 0 HB2 GLN A 97 18.724 -1.957 3.377 1.00 0.94 H new ATOM 0 HB3 GLN A 97 20.440 -2.288 3.258 1.00 0.94 H new ATOM 0 HG2 GLN A 97 20.971 -0.131 3.553 1.00 1.21 H new ATOM 0 HG3 GLN A 97 19.874 0.387 2.288 1.00 1.21 H new ATOM 0 HE21 GLN A 97 17.753 1.010 2.781 1.00 2.81 H new ATOM 0 HE22 GLN A 97 17.268 1.394 4.436 1.00 2.81 H new ATOM 1543 N PRO A 98 17.033 -1.922 1.058 1.00 0.62 N ATOM 1544 CA PRO A 98 15.769 -1.325 0.642 1.00 0.55 C ATOM 1545 C PRO A 98 15.579 0.041 1.287 1.00 0.55 C ATOM 1546 O PRO A 98 15.257 0.145 2.469 1.00 0.62 O ATOM 1547 CB PRO A 98 14.703 -2.321 1.119 1.00 0.60 C ATOM 1548 CG PRO A 98 15.391 -3.200 2.107 1.00 0.62 C ATOM 1549 CD PRO A 98 16.842 -3.228 1.710 1.00 0.72 C ATOM 0 HA PRO A 98 15.719 -1.155 -0.434 1.00 0.55 H new ATOM 0 HB2 PRO A 98 13.859 -1.804 1.575 1.00 0.60 H new ATOM 0 HB3 PRO A 98 14.308 -2.902 0.286 1.00 0.60 H new ATOM 0 HG2 PRO A 98 15.272 -2.814 3.119 1.00 0.62 H new ATOM 0 HG3 PRO A 98 14.966 -4.204 2.097 1.00 0.62 H new ATOM 0 HD2 PRO A 98 17.495 -3.346 2.575 1.00 0.72 H new ATOM 0 HD3 PRO A 98 17.059 -4.053 1.032 1.00 0.72 H new ATOM 1557 N GLN A 99 15.813 1.088 0.507 1.00 0.51 N ATOM 1558 CA GLN A 99 15.718 2.447 1.009 1.00 0.54 C ATOM 1559 C GLN A 99 14.259 2.775 1.243 1.00 0.50 C ATOM 1560 O GLN A 99 13.889 3.316 2.286 1.00 0.57 O ATOM 1561 CB GLN A 99 16.354 3.424 0.009 1.00 0.56 C ATOM 1562 CG GLN A 99 15.750 4.822 0.005 1.00 0.72 C ATOM 1563 CD GLN A 99 16.182 5.675 1.176 1.00 0.97 C ATOM 1564 OE1 GLN A 99 17.191 6.377 1.109 1.00 1.73 O ATOM 1565 NE2 GLN A 99 15.417 5.640 2.247 1.00 1.32 N ATOM 0 H GLN A 99 16.070 1.019 -0.478 1.00 0.51 H new ATOM 0 HA GLN A 99 16.259 2.540 1.950 1.00 0.54 H new ATOM 0 HB2 GLN A 99 17.418 3.505 0.229 1.00 0.56 H new ATOM 0 HB3 GLN A 99 16.267 3.004 -0.993 1.00 0.56 H new ATOM 0 HG2 GLN A 99 16.027 5.325 -0.921 1.00 0.72 H new ATOM 0 HG3 GLN A 99 14.663 4.738 0.009 1.00 0.72 H new ATOM 0 HE21 GLN A 99 14.589 5.045 2.263 1.00 1.32 H new ATOM 0 HE22 GLN A 99 15.653 6.208 3.061 1.00 1.32 H new ATOM 1574 N CYS A 100 13.434 2.395 0.279 1.00 0.43 N ATOM 1575 CA CYS A 100 12.002 2.643 0.340 1.00 0.41 C ATOM 1576 C CYS A 100 11.274 1.788 -0.689 1.00 0.35 C ATOM 1577 O CYS A 100 11.888 1.185 -1.571 1.00 0.39 O ATOM 1578 CB CYS A 100 11.669 4.124 0.096 1.00 0.45 C ATOM 1579 SG CYS A 100 11.974 5.215 1.506 1.00 0.64 S ATOM 0 H CYS A 100 13.737 1.908 -0.564 1.00 0.43 H new ATOM 0 HA CYS A 100 11.670 2.378 1.344 1.00 0.41 H new ATOM 0 HB2 CYS A 100 12.255 4.478 -0.752 1.00 0.45 H new ATOM 0 HB3 CYS A 100 10.619 4.204 -0.186 1.00 0.45 H new ATOM 0 HG CYS A 100 12.667 4.580 2.404 1.00 0.64 H new ATOM 1585 N ILE A 101 9.971 1.738 -0.549 1.00 0.29 N ATOM 1586 CA ILE A 101 9.103 1.062 -1.490 1.00 0.27 C ATOM 1587 C ILE A 101 8.196 2.091 -2.155 1.00 0.23 C ATOM 1588 O ILE A 101 7.573 2.906 -1.476 1.00 0.28 O ATOM 1589 CB ILE A 101 8.230 -0.022 -0.802 1.00 0.35 C ATOM 1590 CG1 ILE A 101 9.026 -1.287 -0.468 1.00 0.66 C ATOM 1591 CG2 ILE A 101 7.043 -0.397 -1.677 1.00 0.37 C ATOM 1592 CD1 ILE A 101 10.108 -1.104 0.573 1.00 0.73 C ATOM 0 H ILE A 101 9.475 2.170 0.231 1.00 0.29 H new ATOM 0 HA ILE A 101 9.730 0.563 -2.229 1.00 0.27 H new ATOM 0 HB ILE A 101 7.877 0.415 0.132 1.00 0.35 H new ATOM 0 HG12 ILE A 101 8.333 -2.053 -0.120 1.00 0.66 H new ATOM 0 HG13 ILE A 101 9.483 -1.663 -1.383 1.00 0.66 H new ATOM 0 HG21 ILE A 101 6.446 -1.158 -1.174 1.00 0.37 H new ATOM 0 HG22 ILE A 101 6.429 0.486 -1.856 1.00 0.37 H new ATOM 0 HG23 ILE A 101 7.402 -0.788 -2.629 1.00 0.37 H new ATOM 0 HD11 ILE A 101 10.615 -2.054 0.741 1.00 0.73 H new ATOM 0 HD12 ILE A 101 10.829 -0.365 0.223 1.00 0.73 H new ATOM 0 HD13 ILE A 101 9.661 -0.761 1.506 1.00 0.73 H new ATOM 1604 N MET A 102 8.128 2.051 -3.472 1.00 0.22 N ATOM 1605 CA MET A 102 7.266 2.946 -4.225 1.00 0.23 C ATOM 1606 C MET A 102 6.091 2.158 -4.764 1.00 0.22 C ATOM 1607 O MET A 102 6.277 1.169 -5.472 1.00 0.24 O ATOM 1608 CB MET A 102 8.030 3.602 -5.377 1.00 0.30 C ATOM 1609 CG MET A 102 9.059 4.622 -4.921 1.00 0.69 C ATOM 1610 SD MET A 102 9.925 5.401 -6.299 1.00 1.47 S ATOM 1611 CE MET A 102 8.541 6.020 -7.256 1.00 1.81 C ATOM 0 H MET A 102 8.664 1.402 -4.048 1.00 0.22 H new ATOM 0 HA MET A 102 6.912 3.737 -3.564 1.00 0.23 H new ATOM 0 HB2 MET A 102 8.531 2.827 -5.957 1.00 0.30 H new ATOM 0 HB3 MET A 102 7.318 4.089 -6.043 1.00 0.30 H new ATOM 0 HG2 MET A 102 8.564 5.390 -4.327 1.00 0.69 H new ATOM 0 HG3 MET A 102 9.785 4.134 -4.270 1.00 0.69 H new ATOM 0 HE1 MET A 102 8.857 6.890 -7.832 1.00 1.81 H new ATOM 0 HE2 MET A 102 8.191 5.242 -7.935 1.00 1.81 H new ATOM 0 HE3 MET A 102 7.732 6.305 -6.583 1.00 1.81 H new ATOM 1621 N CYS A 103 4.890 2.561 -4.395 1.00 0.25 N ATOM 1622 CA CYS A 103 3.699 1.834 -4.786 1.00 0.26 C ATOM 1623 C CYS A 103 2.733 2.708 -5.562 1.00 0.27 C ATOM 1624 O CYS A 103 2.302 3.759 -5.083 1.00 0.32 O ATOM 1625 CB CYS A 103 3.004 1.292 -3.537 1.00 0.31 C ATOM 1626 SG CYS A 103 3.938 0.004 -2.681 1.00 0.39 S ATOM 0 H CYS A 103 4.714 3.388 -3.825 1.00 0.25 H new ATOM 0 HA CYS A 103 4.004 1.015 -5.437 1.00 0.26 H new ATOM 0 HB2 CYS A 103 2.824 2.116 -2.847 1.00 0.31 H new ATOM 0 HB3 CYS A 103 2.029 0.894 -3.819 1.00 0.31 H new ATOM 0 HG CYS A 103 3.114 -0.808 -2.088 1.00 0.39 H new ATOM 1632 N VAL A 104 2.410 2.272 -6.764 1.00 0.27 N ATOM 1633 CA VAL A 104 1.331 2.873 -7.520 1.00 0.28 C ATOM 1634 C VAL A 104 0.072 2.066 -7.251 1.00 0.29 C ATOM 1635 O VAL A 104 -0.004 0.892 -7.606 1.00 0.29 O ATOM 1636 CB VAL A 104 1.619 2.877 -9.037 1.00 0.30 C ATOM 1637 CG1 VAL A 104 0.610 3.743 -9.772 1.00 0.35 C ATOM 1638 CG2 VAL A 104 3.040 3.343 -9.320 1.00 0.34 C ATOM 0 H VAL A 104 2.881 1.502 -7.238 1.00 0.27 H new ATOM 0 HA VAL A 104 1.218 3.911 -7.208 1.00 0.28 H new ATOM 0 HB VAL A 104 1.522 1.855 -9.403 1.00 0.30 H new ATOM 0 HG11 VAL A 104 0.831 3.732 -10.839 1.00 0.35 H new ATOM 0 HG12 VAL A 104 -0.394 3.353 -9.605 1.00 0.35 H new ATOM 0 HG13 VAL A 104 0.669 4.766 -9.400 1.00 0.35 H new ATOM 0 HG21 VAL A 104 3.218 3.337 -10.395 1.00 0.34 H new ATOM 0 HG22 VAL A 104 3.175 4.354 -8.936 1.00 0.34 H new ATOM 0 HG23 VAL A 104 3.747 2.672 -8.832 1.00 0.34 H new ATOM 1648 N ASN A 105 -0.907 2.682 -6.619 1.00 0.29 N ATOM 1649 CA ASN A 105 -2.068 1.943 -6.144 1.00 0.30 C ATOM 1650 C ASN A 105 -3.285 2.253 -6.983 1.00 0.27 C ATOM 1651 O ASN A 105 -3.522 3.405 -7.346 1.00 0.39 O ATOM 1652 CB ASN A 105 -2.352 2.269 -4.678 1.00 0.33 C ATOM 1653 CG ASN A 105 -1.130 2.084 -3.806 1.00 0.47 C ATOM 1654 OD1 ASN A 105 -0.872 1.000 -3.285 1.00 0.75 O ATOM 1655 ND2 ASN A 105 -0.370 3.149 -3.640 1.00 0.63 N ATOM 0 H ASN A 105 -0.926 3.683 -6.422 1.00 0.29 H new ATOM 0 HA ASN A 105 -1.845 0.880 -6.233 1.00 0.30 H new ATOM 0 HB2 ASN A 105 -2.702 3.298 -4.597 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -3.156 1.630 -4.314 1.00 0.33 H new ATOM 0 HD21 ASN A 105 0.468 3.092 -3.061 1.00 0.63 H new ATOM 0 HD22 ASN A 105 -0.620 4.029 -4.090 1.00 0.63 H new ATOM 1662 N TYR A 106 -4.065 1.223 -7.260 1.00 0.23 N ATOM 1663 CA TYR A 106 -5.242 1.340 -8.095 1.00 0.24 C ATOM 1664 C TYR A 106 -6.453 0.837 -7.329 1.00 0.25 C ATOM 1665 O TYR A 106 -6.677 -0.370 -7.228 1.00 0.26 O ATOM 1666 CB TYR A 106 -5.088 0.527 -9.385 1.00 0.29 C ATOM 1667 CG TYR A 106 -3.858 0.867 -10.200 1.00 0.29 C ATOM 1668 CD1 TYR A 106 -2.653 0.215 -9.973 1.00 0.31 C ATOM 1669 CD2 TYR A 106 -3.903 1.830 -11.199 1.00 0.35 C ATOM 1670 CE1 TYR A 106 -1.529 0.513 -10.715 1.00 0.35 C ATOM 1671 CE2 TYR A 106 -2.781 2.135 -11.947 1.00 0.40 C ATOM 1672 CZ TYR A 106 -1.597 1.473 -11.701 1.00 0.40 C ATOM 1673 OH TYR A 106 -0.474 1.773 -12.445 1.00 0.48 O ATOM 0 H TYR A 106 -3.897 0.280 -6.910 1.00 0.23 H new ATOM 0 HA TYR A 106 -5.371 2.389 -8.361 1.00 0.24 H new ATOM 0 HB2 TYR A 106 -5.058 -0.532 -9.130 1.00 0.29 H new ATOM 0 HB3 TYR A 106 -5.972 0.681 -10.004 1.00 0.29 H new ATOM 0 HD1 TYR A 106 -2.595 -0.539 -9.202 1.00 0.31 H new ATOM 0 HD2 TYR A 106 -4.829 2.349 -11.395 1.00 0.35 H new ATOM 0 HE1 TYR A 106 -0.600 -0.004 -10.524 1.00 0.35 H new ATOM 0 HE2 TYR A 106 -2.832 2.888 -12.720 1.00 0.40 H new ATOM 0 HH TYR A 106 -0.691 2.470 -13.099 1.00 0.48 H new ATOM 1683 N VAL A 107 -7.191 1.761 -6.746 1.00 0.26 N ATOM 1684 CA VAL A 107 -8.441 1.420 -6.090 1.00 0.28 C ATOM 1685 C VAL A 107 -9.440 1.012 -7.161 1.00 0.33 C ATOM 1686 O VAL A 107 -9.866 1.837 -7.970 1.00 0.46 O ATOM 1687 CB VAL A 107 -9.018 2.594 -5.278 1.00 0.35 C ATOM 1688 CG1 VAL A 107 -10.232 2.147 -4.478 1.00 0.71 C ATOM 1689 CG2 VAL A 107 -7.963 3.182 -4.361 1.00 0.62 C ATOM 0 H VAL A 107 -6.949 2.751 -6.712 1.00 0.26 H new ATOM 0 HA VAL A 107 -8.250 0.607 -5.389 1.00 0.28 H new ATOM 0 HB VAL A 107 -9.334 3.369 -5.977 1.00 0.35 H new ATOM 0 HG11 VAL A 107 -10.625 2.991 -3.911 1.00 0.71 H new ATOM 0 HG12 VAL A 107 -11.000 1.777 -5.158 1.00 0.71 H new ATOM 0 HG13 VAL A 107 -9.942 1.352 -3.791 1.00 0.71 H new ATOM 0 HG21 VAL A 107 -8.392 4.010 -3.797 1.00 0.62 H new ATOM 0 HG22 VAL A 107 -7.613 2.415 -3.670 1.00 0.62 H new ATOM 0 HG23 VAL A 107 -7.125 3.544 -4.956 1.00 0.62 H new ATOM 1699 N LEU A 108 -9.776 -0.262 -7.186 1.00 0.31 N ATOM 1700 CA LEU A 108 -10.593 -0.814 -8.252 1.00 0.39 C ATOM 1701 C LEU A 108 -12.043 -0.948 -7.822 1.00 0.44 C ATOM 1702 O LEU A 108 -12.923 -0.269 -8.348 1.00 0.60 O ATOM 1703 CB LEU A 108 -10.032 -2.174 -8.663 1.00 0.44 C ATOM 1704 CG LEU A 108 -8.602 -2.133 -9.203 1.00 0.46 C ATOM 1705 CD1 LEU A 108 -7.813 -3.332 -8.720 1.00 0.66 C ATOM 1706 CD2 LEU A 108 -8.608 -2.093 -10.721 1.00 0.48 C ATOM 0 H LEU A 108 -9.495 -0.939 -6.477 1.00 0.31 H new ATOM 0 HA LEU A 108 -10.564 -0.133 -9.103 1.00 0.39 H new ATOM 0 HB2 LEU A 108 -10.063 -2.841 -7.801 1.00 0.44 H new ATOM 0 HB3 LEU A 108 -10.682 -2.606 -9.424 1.00 0.44 H new ATOM 0 HG LEU A 108 -8.124 -1.228 -8.829 1.00 0.46 H new ATOM 0 HD11 LEU A 108 -6.799 -3.283 -9.116 1.00 0.66 H new ATOM 0 HD12 LEU A 108 -7.778 -3.330 -7.631 1.00 0.66 H new ATOM 0 HD13 LEU A 108 -8.294 -4.247 -9.066 1.00 0.66 H new ATOM 0 HD21 LEU A 108 -7.582 -2.064 -11.088 1.00 0.48 H new ATOM 0 HD22 LEU A 108 -9.106 -2.982 -11.106 1.00 0.48 H new ATOM 0 HD23 LEU A 108 -9.140 -1.204 -11.059 1.00 0.48 H new ATOM 1718 N SER A 109 -12.287 -1.821 -6.860 1.00 0.44 N ATOM 1719 CA SER A 109 -13.637 -2.080 -6.398 1.00 0.54 C ATOM 1720 C SER A 109 -14.049 -1.078 -5.328 1.00 0.64 C ATOM 1721 O SER A 109 -13.215 -0.338 -4.797 1.00 0.93 O ATOM 1722 CB SER A 109 -13.731 -3.504 -5.860 1.00 0.64 C ATOM 1723 OG SER A 109 -13.244 -4.428 -6.818 1.00 1.46 O ATOM 0 H SER A 109 -11.566 -2.363 -6.384 1.00 0.44 H new ATOM 0 HA SER A 109 -14.321 -1.969 -7.240 1.00 0.54 H new ATOM 0 HB2 SER A 109 -13.156 -3.590 -4.938 1.00 0.64 H new ATOM 0 HB3 SER A 109 -14.766 -3.738 -5.613 1.00 0.64 H new ATOM 0 HG SER A 109 -13.309 -5.337 -6.458 1.00 1.46 H new ATOM 1729 N GLU A 110 -15.337 -1.058 -5.017 1.00 0.62 N ATOM 1730 CA GLU A 110 -15.870 -0.130 -4.034 1.00 0.74 C ATOM 1731 C GLU A 110 -15.675 -0.669 -2.619 1.00 0.59 C ATOM 1732 O GLU A 110 -14.904 -1.605 -2.400 1.00 0.55 O ATOM 1733 CB GLU A 110 -17.352 0.127 -4.296 1.00 1.07 C ATOM 1734 CG GLU A 110 -17.666 0.544 -5.726 1.00 1.46 C ATOM 1735 CD GLU A 110 -16.872 1.753 -6.179 1.00 2.17 C ATOM 1736 OE1 GLU A 110 -17.104 2.855 -5.641 1.00 2.94 O ATOM 1737 OE2 GLU A 110 -16.003 1.604 -7.064 1.00 2.41 O ATOM 0 H GLU A 110 -16.033 -1.676 -5.433 1.00 0.62 H new ATOM 0 HA GLU A 110 -15.326 0.810 -4.124 1.00 0.74 H new ATOM 0 HB2 GLU A 110 -17.914 -0.777 -4.061 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -17.701 0.905 -3.617 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -17.459 -0.291 -6.396 1.00 1.46 H new ATOM 0 HG3 GLU A 110 -18.730 0.763 -5.809 1.00 1.46 H new ATOM 1744 N ILE A 111 -16.377 -0.072 -1.665 1.00 0.66 N ATOM 1745 CA ILE A 111 -16.248 -0.452 -0.269 1.00 0.59 C ATOM 1746 C ILE A 111 -16.993 -1.750 0.008 1.00 0.58 C ATOM 1747 O ILE A 111 -18.206 -1.840 -0.182 1.00 0.68 O ATOM 1748 CB ILE A 111 -16.775 0.658 0.666 1.00 0.67 C ATOM 1749 CG1 ILE A 111 -16.118 1.998 0.321 1.00 0.77 C ATOM 1750 CG2 ILE A 111 -16.514 0.294 2.124 1.00 0.70 C ATOM 1751 CD1 ILE A 111 -16.620 3.156 1.156 1.00 0.89 C ATOM 0 H ILE A 111 -17.044 0.681 -1.836 1.00 0.66 H new ATOM 0 HA ILE A 111 -15.187 -0.599 -0.069 1.00 0.59 H new ATOM 0 HB ILE A 111 -17.851 0.753 0.523 1.00 0.67 H new ATOM 0 HG12 ILE A 111 -15.040 1.908 0.452 1.00 0.77 H new ATOM 0 HG13 ILE A 111 -16.294 2.218 -0.732 1.00 0.77 H new ATOM 0 HG21 ILE A 111 -16.891 1.087 2.770 1.00 0.70 H new ATOM 0 HG22 ILE A 111 -17.022 -0.641 2.362 1.00 0.70 H new ATOM 0 HG23 ILE A 111 -15.442 0.176 2.283 1.00 0.70 H new ATOM 0 HD11 ILE A 111 -16.109 4.070 0.854 1.00 0.89 H new ATOM 0 HD12 ILE A 111 -17.693 3.274 1.007 1.00 0.89 H new ATOM 0 HD13 ILE A 111 -16.420 2.959 2.209 1.00 0.89 H new ATOM 1763 N GLU A 112 -16.250 -2.748 0.448 1.00 0.53 N ATOM 1764 CA GLU A 112 -16.807 -4.038 0.790 1.00 0.61 C ATOM 1765 C GLU A 112 -16.719 -4.228 2.296 1.00 0.64 C ATOM 1766 O GLU A 112 -15.643 -4.464 2.844 1.00 0.73 O ATOM 1767 CB GLU A 112 -16.047 -5.153 0.078 1.00 0.68 C ATOM 1768 CG GLU A 112 -16.909 -6.357 -0.213 1.00 1.14 C ATOM 1769 CD GLU A 112 -16.104 -7.597 -0.526 1.00 1.24 C ATOM 1770 OE1 GLU A 112 -15.466 -7.649 -1.600 1.00 1.64 O ATOM 1771 OE2 GLU A 112 -16.114 -8.531 0.305 1.00 1.56 O ATOM 0 H GLU A 112 -15.240 -2.684 0.578 1.00 0.53 H new ATOM 0 HA GLU A 112 -17.849 -4.078 0.472 1.00 0.61 H new ATOM 0 HB2 GLU A 112 -15.640 -4.769 -0.857 1.00 0.68 H new ATOM 0 HB3 GLU A 112 -15.200 -5.459 0.692 1.00 0.68 H new ATOM 0 HG2 GLU A 112 -17.550 -6.554 0.646 1.00 1.14 H new ATOM 0 HG3 GLU A 112 -17.564 -6.133 -1.055 1.00 1.14 H new ATOM 1778 N LYS A 113 -17.843 -4.094 2.966 1.00 0.82 N ATOM 1779 CA LYS A 113 -17.864 -4.103 4.415 1.00 0.95 C ATOM 1780 C LYS A 113 -18.296 -5.459 4.963 1.00 1.14 C ATOM 1781 O LYS A 113 -19.483 -5.691 5.194 1.00 1.29 O ATOM 1782 CB LYS A 113 -18.793 -2.999 4.916 1.00 1.09 C ATOM 1783 CG LYS A 113 -18.405 -1.618 4.414 1.00 1.10 C ATOM 1784 CD LYS A 113 -19.370 -0.547 4.893 1.00 1.47 C ATOM 1785 CE LYS A 113 -20.802 -0.830 4.462 1.00 1.97 C ATOM 1786 NZ LYS A 113 -20.947 -0.868 2.982 1.00 2.69 N ATOM 0 H LYS A 113 -18.758 -3.977 2.530 1.00 0.82 H new ATOM 0 HA LYS A 113 -16.852 -3.918 4.776 1.00 0.95 H new ATOM 0 HB2 LYS A 113 -19.813 -3.220 4.601 1.00 1.09 H new ATOM 0 HB3 LYS A 113 -18.790 -2.997 6.006 1.00 1.09 H new ATOM 0 HG2 LYS A 113 -17.398 -1.378 4.755 1.00 1.10 H new ATOM 0 HG3 LYS A 113 -18.380 -1.622 3.324 1.00 1.10 H new ATOM 0 HD2 LYS A 113 -19.326 -0.480 5.980 1.00 1.47 H new ATOM 0 HD3 LYS A 113 -19.059 0.422 4.501 1.00 1.47 H new ATOM 0 HE2 LYS A 113 -21.124 -1.783 4.881 1.00 1.97 H new ATOM 0 HE3 LYS A 113 -21.461 -0.063 4.870 1.00 1.97 H new ATOM 0 HZ1 LYS A 113 -21.953 -0.962 2.734 1.00 2.69 H new ATOM 0 HZ2 LYS A 113 -20.570 0.011 2.574 1.00 2.69 H new ATOM 0 HZ3 LYS A 113 -20.420 -1.680 2.602 1.00 2.69 H new ATOM 1800 N ASN A 114 -17.318 -6.351 5.131 1.00 1.33 N ATOM 1801 CA ASN A 114 -17.536 -7.673 5.727 1.00 1.59 C ATOM 1802 C ASN A 114 -18.628 -8.452 4.996 1.00 1.87 C ATOM 1803 O ASN A 114 -18.311 -9.105 3.979 1.00 2.52 O ATOM 1804 CB ASN A 114 -17.875 -7.558 7.220 1.00 2.62 C ATOM 1805 CG ASN A 114 -16.675 -7.177 8.067 1.00 3.39 C ATOM 1806 OD1 ASN A 114 -15.923 -8.038 8.523 1.00 3.87 O ATOM 1807 ND2 ASN A 114 -16.494 -5.885 8.296 1.00 3.97 N ATOM 1808 OXT ASN A 114 -19.796 -8.418 5.442 1.00 2.41 O ATOM 0 H ASN A 114 -16.351 -6.178 4.858 1.00 1.33 H new ATOM 0 HA ASN A 114 -16.603 -8.226 5.623 1.00 1.59 H new ATOM 0 HB2 ASN A 114 -18.660 -6.813 7.354 1.00 2.62 H new ATOM 0 HB3 ASN A 114 -18.275 -8.509 7.572 1.00 2.62 H new ATOM 0 HD21 ASN A 114 -15.709 -5.574 8.868 1.00 3.97 H new ATOM 0 HD22 ASN A 114 -17.139 -5.202 7.900 1.00 3.97 H new TER 1815 ASN A 114