USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 HIS : no HD1:sc= 1.75 K(o=3.1,f=-9.6!) USER MOD Set 1.2: A 86 THR OG1 : rot -74:sc= 1.33 USER MOD Set 2.1: A 31 HIS : no HE2:sc= -0.0274 K(o=0.039,f=-0.6) USER MOD Set 2.2: A 61 SER OG : rot 30:sc= 0.0668 USER MOD Set 3.1: A 8 GLN : amide:sc= 0.203 X(o=0.34,f=-0.081) USER MOD Set 3.2: A 28 SER OG : rot -129:sc= 0.137 USER MOD Single : A 2 GLN : amide:sc= -0.0738 X(o=-0.074,f=-0.041) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0045 USER MOD Single : A 6 LYS NZ :NH3+ -119:sc= -0.143 (180deg=-0.196) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 113:sc= 0.044 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0176) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.109 K(o=0.11,f=-5.1!) USER MOD Single : A 24 ASN : amide:sc= -0.517 K(o=-0.52,f=-2.8!) USER MOD Single : A 26 TYR OH : rot -65:sc= 0.633 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 174:sc=-0.00354 (180deg=-0.0746) USER MOD Single : A 42 ASN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.508 K(o=0.51,f=-1.9!) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0261 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 83:sc= 0.143 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0725 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -110:sc= -0.0287 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -36:sc= 0.456 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 105:sc= 0.101 USER MOD Single : A 83 ASN : amide:sc= -0.0354 K(o=-0.035,f=-0.9) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0221) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 2 2.391 -5.584 -3.435 1.00 72.14 N ATOM 40 CA GLN A 2 2.594 -6.117 -4.774 1.00 40.12 C ATOM 41 C GLN A 2 3.506 -7.347 -4.679 1.00 21.40 C ATOM 42 O GLN A 2 4.693 -7.274 -4.994 1.00 52.43 O ATOM 43 CB GLN A 2 3.176 -4.985 -5.638 1.00 11.42 C ATOM 44 CG GLN A 2 3.314 -5.343 -7.120 1.00 4.13 C ATOM 45 CD GLN A 2 1.962 -5.482 -7.817 1.00 55.34 C ATOM 46 OE1 GLN A 2 1.368 -4.484 -8.221 1.00 14.03 O ATOM 47 NE2 GLN A 2 1.475 -6.716 -7.970 1.00 53.15 N ATOM 0 HA GLN A 2 1.668 -6.451 -5.241 1.00 40.12 H new ATOM 0 HB2 GLN A 2 2.539 -4.106 -5.545 1.00 11.42 H new ATOM 0 HB3 GLN A 2 4.156 -4.711 -5.248 1.00 11.42 H new ATOM 0 HG2 GLN A 2 3.901 -4.574 -7.623 1.00 4.13 H new ATOM 0 HG3 GLN A 2 3.866 -6.278 -7.215 1.00 4.13 H new ATOM 0 HE21 GLN A 2 1.999 -7.518 -7.620 1.00 53.15 H new ATOM 0 HE22 GLN A 2 0.579 -6.856 -8.437 1.00 53.15 H new ATOM 56 N ARG A 3 2.950 -8.466 -4.196 1.00 42.34 N ATOM 57 CA ARG A 3 3.705 -9.654 -3.810 1.00 22.11 C ATOM 58 C ARG A 3 3.812 -10.652 -4.966 1.00 54.45 C ATOM 59 O ARG A 3 2.893 -10.779 -5.773 1.00 73.42 O ATOM 60 CB ARG A 3 3.053 -10.296 -2.577 1.00 15.43 C ATOM 61 CG ARG A 3 4.005 -11.165 -1.741 1.00 4.25 C ATOM 62 CD ARG A 3 5.100 -10.333 -1.065 1.00 55.53 C ATOM 63 NE ARG A 3 5.752 -11.078 0.019 1.00 35.32 N ATOM 64 CZ ARG A 3 6.511 -10.522 0.980 1.00 63.32 C ATOM 65 NH1 ARG A 3 6.721 -9.198 1.012 1.00 52.21 N ATOM 66 NH2 ARG A 3 7.066 -11.297 1.923 1.00 53.01 N ATOM 0 H ARG A 3 1.944 -8.568 -4.062 1.00 42.34 H new ATOM 0 HA ARG A 3 4.722 -9.355 -3.557 1.00 22.11 H new ATOM 0 HB2 ARG A 3 2.647 -9.508 -1.943 1.00 15.43 H new ATOM 0 HB3 ARG A 3 2.212 -10.908 -2.902 1.00 15.43 H new ATOM 0 HG2 ARG A 3 3.435 -11.699 -0.981 1.00 4.25 H new ATOM 0 HG3 ARG A 3 4.465 -11.917 -2.381 1.00 4.25 H new ATOM 0 HD2 ARG A 3 5.845 -10.040 -1.805 1.00 55.53 H new ATOM 0 HD3 ARG A 3 4.667 -9.415 -0.668 1.00 55.53 H new ATOM 0 HE ARG A 3 5.620 -12.089 0.045 1.00 35.32 H new ATOM 0 HH11 ARG A 3 6.303 -8.598 0.301 1.00 52.21 H new ATOM 0 HH12 ARG A 3 7.299 -8.791 1.747 1.00 52.21 H new ATOM 0 HH21 ARG A 3 6.912 -12.305 1.910 1.00 53.01 H new ATOM 0 HH22 ARG A 3 7.642 -10.878 2.653 1.00 53.01 H new ATOM 80 N THR A 4 4.948 -11.356 -5.030 1.00 45.44 N ATOM 81 CA THR A 4 5.285 -12.305 -6.084 1.00 74.33 C ATOM 82 C THR A 4 4.880 -13.730 -5.678 1.00 11.11 C ATOM 83 O THR A 4 4.919 -14.051 -4.490 1.00 52.41 O ATOM 84 CB THR A 4 6.802 -12.247 -6.333 1.00 23.30 C ATOM 85 OG1 THR A 4 7.499 -12.534 -5.134 1.00 43.05 O ATOM 86 CG2 THR A 4 7.240 -10.871 -6.845 1.00 54.33 C ATOM 0 H THR A 4 5.679 -11.274 -4.323 1.00 45.44 H new ATOM 0 HA THR A 4 4.744 -12.042 -6.993 1.00 74.33 H new ATOM 0 HB THR A 4 7.037 -12.990 -7.095 1.00 23.30 H new ATOM 0 HG1 THR A 4 8.464 -12.497 -5.300 1.00 43.05 H new ATOM 0 HG21 THR A 4 8.318 -10.870 -7.009 1.00 54.33 H new ATOM 0 HG22 THR A 4 6.730 -10.653 -7.783 1.00 54.33 H new ATOM 0 HG23 THR A 4 6.984 -10.110 -6.108 1.00 54.33 H new ATOM 94 N PRO A 5 4.549 -14.609 -6.642 1.00 32.42 N ATOM 95 CA PRO A 5 4.349 -16.031 -6.392 1.00 72.43 C ATOM 96 C PRO A 5 5.674 -16.682 -5.991 1.00 23.23 C ATOM 97 O PRO A 5 6.617 -16.691 -6.781 1.00 64.14 O ATOM 98 CB PRO A 5 3.832 -16.618 -7.712 1.00 2.30 C ATOM 99 CG PRO A 5 4.371 -15.658 -8.773 1.00 64.33 C ATOM 100 CD PRO A 5 4.390 -14.309 -8.058 1.00 55.45 C ATOM 0 HA PRO A 5 3.645 -16.208 -5.579 1.00 72.43 H new ATOM 0 HB2 PRO A 5 4.197 -17.633 -7.869 1.00 2.30 H new ATOM 0 HB3 PRO A 5 2.743 -16.664 -7.730 1.00 2.30 H new ATOM 0 HG2 PRO A 5 5.367 -15.948 -9.108 1.00 64.33 H new ATOM 0 HG3 PRO A 5 3.732 -15.635 -9.655 1.00 64.33 H new ATOM 0 HD2 PRO A 5 5.209 -13.687 -8.420 1.00 55.45 H new ATOM 0 HD3 PRO A 5 3.467 -13.758 -8.239 1.00 55.45 H new ATOM 108 N LYS A 6 5.745 -17.230 -4.771 1.00 20.42 N ATOM 109 CA LYS A 6 6.908 -17.974 -4.306 1.00 41.33 C ATOM 110 C LYS A 6 6.776 -19.428 -4.765 1.00 3.55 C ATOM 111 O LYS A 6 5.904 -20.161 -4.298 1.00 34.33 O ATOM 112 CB LYS A 6 7.074 -17.854 -2.787 1.00 44.31 C ATOM 113 CG LYS A 6 7.415 -16.416 -2.381 1.00 60.12 C ATOM 114 CD LYS A 6 7.758 -16.343 -0.888 1.00 22.23 C ATOM 115 CE LYS A 6 8.143 -14.918 -0.473 1.00 11.54 C ATOM 116 NZ LYS A 6 7.003 -13.991 -0.574 1.00 52.23 N ATOM 0 H LYS A 6 4.994 -17.166 -4.083 1.00 20.42 H new ATOM 0 HA LYS A 6 7.814 -17.552 -4.740 1.00 41.33 H new ATOM 0 HB2 LYS A 6 6.155 -18.167 -2.292 1.00 44.31 H new ATOM 0 HB3 LYS A 6 7.862 -18.527 -2.450 1.00 44.31 H new ATOM 0 HG2 LYS A 6 8.258 -16.056 -2.971 1.00 60.12 H new ATOM 0 HG3 LYS A 6 6.571 -15.761 -2.598 1.00 60.12 H new ATOM 0 HD2 LYS A 6 6.903 -16.677 -0.300 1.00 22.23 H new ATOM 0 HD3 LYS A 6 8.581 -17.023 -0.668 1.00 22.23 H new ATOM 0 HE2 LYS A 6 8.515 -14.926 0.552 1.00 11.54 H new ATOM 0 HE3 LYS A 6 8.957 -14.563 -1.105 1.00 11.54 H new ATOM 0 HZ1 LYS A 6 7.227 -13.239 -1.257 1.00 52.23 H new ATOM 0 HZ2 LYS A 6 6.161 -14.510 -0.894 1.00 52.23 H new ATOM 0 HZ3 LYS A 6 6.816 -13.568 0.358 1.00 52.23 H new ATOM 130 N ILE A 7 7.644 -19.806 -5.709 1.00 13.54 N ATOM 131 CA ILE A 7 7.654 -21.083 -6.406 1.00 0.31 C ATOM 132 C ILE A 7 8.018 -22.240 -5.468 1.00 64.41 C ATOM 133 O ILE A 7 8.960 -22.137 -4.683 1.00 42.33 O ATOM 134 CB ILE A 7 8.605 -20.994 -7.621 1.00 52.32 C ATOM 135 CG1 ILE A 7 10.014 -20.485 -7.238 1.00 3.55 C ATOM 136 CG2 ILE A 7 7.961 -20.089 -8.683 1.00 13.24 C ATOM 137 CD1 ILE A 7 11.049 -20.658 -8.352 1.00 54.42 C ATOM 0 H ILE A 7 8.397 -19.191 -6.019 1.00 13.54 H new ATOM 0 HA ILE A 7 6.649 -21.298 -6.768 1.00 0.31 H new ATOM 0 HB ILE A 7 8.749 -21.998 -8.021 1.00 52.32 H new ATOM 0 HG12 ILE A 7 9.951 -19.430 -6.972 1.00 3.55 H new ATOM 0 HG13 ILE A 7 10.355 -21.017 -6.350 1.00 3.55 H new ATOM 0 HG21 ILE A 7 8.621 -20.016 -9.548 1.00 13.24 H new ATOM 0 HG22 ILE A 7 7.005 -20.513 -8.991 1.00 13.24 H new ATOM 0 HG23 ILE A 7 7.800 -19.095 -8.265 1.00 13.24 H new ATOM 0 HD11 ILE A 7 12.014 -20.280 -8.014 1.00 54.42 H new ATOM 0 HD12 ILE A 7 11.141 -21.715 -8.602 1.00 54.42 H new ATOM 0 HD13 ILE A 7 10.730 -20.103 -9.234 1.00 54.42 H new ATOM 149 N GLN A 8 7.257 -23.338 -5.555 1.00 15.44 N ATOM 150 CA GLN A 8 7.484 -24.578 -4.821 1.00 42.13 C ATOM 151 C GLN A 8 7.057 -25.733 -5.737 1.00 11.33 C ATOM 152 O GLN A 8 5.954 -26.257 -5.595 1.00 0.51 O ATOM 153 CB GLN A 8 6.683 -24.584 -3.504 1.00 43.35 C ATOM 154 CG GLN A 8 7.066 -23.486 -2.504 1.00 4.20 C ATOM 155 CD GLN A 8 6.128 -23.476 -1.297 1.00 11.04 C ATOM 156 OE1 GLN A 8 5.494 -22.462 -1.008 1.00 14.44 O ATOM 157 NE2 GLN A 8 6.027 -24.604 -0.589 1.00 15.20 N ATOM 0 H GLN A 8 6.438 -23.384 -6.162 1.00 15.44 H new ATOM 0 HA GLN A 8 8.535 -24.681 -4.550 1.00 42.13 H new ATOM 0 HB2 GLN A 8 5.624 -24.485 -3.741 1.00 43.35 H new ATOM 0 HB3 GLN A 8 6.812 -25.553 -3.023 1.00 43.35 H new ATOM 0 HG2 GLN A 8 8.091 -23.640 -2.168 1.00 4.20 H new ATOM 0 HG3 GLN A 8 7.035 -22.515 -2.998 1.00 4.20 H new ATOM 0 HE21 GLN A 8 6.568 -25.425 -0.858 1.00 15.20 H new ATOM 0 HE22 GLN A 8 5.409 -24.644 0.221 1.00 15.20 H new ATOM 166 N VAL A 9 7.912 -26.097 -6.706 1.00 51.01 N ATOM 167 CA VAL A 9 7.568 -27.023 -7.782 1.00 41.44 C ATOM 168 C VAL A 9 8.097 -28.426 -7.491 1.00 11.20 C ATOM 169 O VAL A 9 9.201 -28.780 -7.902 1.00 53.12 O ATOM 170 CB VAL A 9 8.094 -26.510 -9.129 1.00 51.13 C ATOM 171 CG1 VAL A 9 7.534 -27.351 -10.284 1.00 12.12 C ATOM 172 CG2 VAL A 9 7.712 -25.048 -9.365 1.00 3.05 C ATOM 0 H VAL A 9 8.870 -25.750 -6.760 1.00 51.01 H new ATOM 0 HA VAL A 9 6.481 -27.081 -7.840 1.00 41.44 H new ATOM 0 HB VAL A 9 9.180 -26.593 -9.096 1.00 51.13 H new ATOM 0 HG11 VAL A 9 7.919 -26.971 -11.230 1.00 12.12 H new ATOM 0 HG12 VAL A 9 7.839 -28.390 -10.159 1.00 12.12 H new ATOM 0 HG13 VAL A 9 6.446 -27.290 -10.284 1.00 12.12 H new ATOM 0 HG21 VAL A 9 8.102 -24.721 -10.329 1.00 3.05 H new ATOM 0 HG22 VAL A 9 6.626 -24.950 -9.361 1.00 3.05 H new ATOM 0 HG23 VAL A 9 8.135 -24.429 -8.574 1.00 3.05 H new ATOM 182 N TYR A 10 7.284 -29.221 -6.797 1.00 35.14 N ATOM 183 CA TYR A 10 7.602 -30.596 -6.425 1.00 61.51 C ATOM 184 C TYR A 10 6.753 -31.573 -7.234 1.00 2.41 C ATOM 185 O TYR A 10 5.710 -31.196 -7.761 1.00 2.10 O ATOM 186 CB TYR A 10 7.394 -30.799 -4.916 1.00 0.01 C ATOM 187 CG TYR A 10 5.991 -30.553 -4.390 1.00 14.00 C ATOM 188 CD1 TYR A 10 5.118 -31.633 -4.157 1.00 53.33 C ATOM 189 CD2 TYR A 10 5.595 -29.251 -4.033 1.00 33.21 C ATOM 190 CE1 TYR A 10 3.848 -31.407 -3.598 1.00 71.21 C ATOM 191 CE2 TYR A 10 4.315 -29.021 -3.501 1.00 3.21 C ATOM 192 CZ TYR A 10 3.438 -30.098 -3.288 1.00 12.20 C ATOM 193 OH TYR A 10 2.191 -29.867 -2.785 1.00 14.30 O ATOM 0 H TYR A 10 6.366 -28.919 -6.471 1.00 35.14 H new ATOM 0 HA TYR A 10 8.650 -30.792 -6.652 1.00 61.51 H new ATOM 0 HB2 TYR A 10 7.678 -31.821 -4.666 1.00 0.01 H new ATOM 0 HB3 TYR A 10 8.079 -30.138 -4.385 1.00 0.01 H new ATOM 0 HD1 TYR A 10 5.425 -32.638 -4.408 1.00 53.33 H new ATOM 0 HD2 TYR A 10 6.278 -28.425 -4.168 1.00 33.21 H new ATOM 0 HE1 TYR A 10 3.187 -32.239 -3.407 1.00 71.21 H new ATOM 0 HE2 TYR A 10 4.005 -28.016 -3.256 1.00 3.21 H new ATOM 0 HH TYR A 10 2.075 -28.907 -2.627 1.00 14.30 H new ATOM 203 N SER A 11 7.185 -32.835 -7.309 1.00 3.30 N ATOM 204 CA SER A 11 6.389 -33.925 -7.851 1.00 24.43 C ATOM 205 C SER A 11 5.681 -34.656 -6.717 1.00 24.12 C ATOM 206 O SER A 11 6.243 -34.835 -5.637 1.00 52.03 O ATOM 207 CB SER A 11 7.278 -34.901 -8.617 1.00 34.13 C ATOM 208 OG SER A 11 8.419 -35.250 -7.861 1.00 40.11 O ATOM 0 H SER A 11 8.109 -33.126 -6.990 1.00 3.30 H new ATOM 0 HA SER A 11 5.648 -33.513 -8.536 1.00 24.43 H new ATOM 0 HB2 SER A 11 6.711 -35.799 -8.861 1.00 34.13 H new ATOM 0 HB3 SER A 11 7.587 -34.452 -9.561 1.00 34.13 H new ATOM 0 HG SER A 11 8.374 -36.199 -7.620 1.00 40.11 H new ATOM 214 N ARG A 12 4.457 -35.115 -6.989 1.00 4.24 N ATOM 215 CA ARG A 12 3.704 -35.948 -6.070 1.00 12.20 C ATOM 216 C ARG A 12 4.344 -37.339 -6.007 1.00 11.01 C ATOM 217 O ARG A 12 4.657 -37.826 -4.922 1.00 13.34 O ATOM 218 CB ARG A 12 2.235 -36.007 -6.514 1.00 44.32 C ATOM 219 CG ARG A 12 1.324 -36.870 -5.625 1.00 23.24 C ATOM 220 CD ARG A 12 1.202 -36.344 -4.189 1.00 72.43 C ATOM 221 NE ARG A 12 2.396 -36.666 -3.396 1.00 3.11 N ATOM 222 CZ ARG A 12 2.925 -35.916 -2.414 1.00 1.22 C ATOM 223 NH1 ARG A 12 2.293 -34.831 -1.942 1.00 5.30 N ATOM 224 NH2 ARG A 12 4.115 -36.260 -1.905 1.00 12.25 N ATOM 0 H ARG A 12 3.965 -34.914 -7.859 1.00 4.24 H new ATOM 0 HA ARG A 12 3.727 -35.524 -5.066 1.00 12.20 H new ATOM 0 HB2 ARG A 12 1.837 -34.992 -6.540 1.00 44.32 H new ATOM 0 HB3 ARG A 12 2.194 -36.392 -7.533 1.00 44.32 H new ATOM 0 HG2 ARG A 12 0.331 -36.918 -6.072 1.00 23.24 H new ATOM 0 HG3 ARG A 12 1.712 -37.888 -5.600 1.00 23.24 H new ATOM 0 HD2 ARG A 12 1.056 -35.264 -4.207 1.00 72.43 H new ATOM 0 HD3 ARG A 12 0.321 -36.777 -3.715 1.00 72.43 H new ATOM 0 HE ARG A 12 2.869 -37.543 -3.611 1.00 3.11 H new ATOM 0 HH11 ARG A 12 1.389 -34.558 -2.329 1.00 5.30 H new ATOM 0 HH12 ARG A 12 2.716 -34.279 -1.196 1.00 5.30 H new ATOM 0 HH21 ARG A 12 4.605 -37.080 -2.263 1.00 12.25 H new ATOM 0 HH22 ARG A 12 4.531 -35.702 -1.159 1.00 12.25 H new ATOM 238 N HIS A 13 4.540 -37.960 -7.177 1.00 35.32 N ATOM 239 CA HIS A 13 5.138 -39.281 -7.332 1.00 5.22 C ATOM 240 C HIS A 13 6.657 -39.160 -7.510 1.00 53.44 C ATOM 241 O HIS A 13 7.137 -38.109 -7.929 1.00 20.10 O ATOM 242 CB HIS A 13 4.502 -39.951 -8.557 1.00 4.41 C ATOM 243 CG HIS A 13 3.046 -40.275 -8.348 1.00 32.20 C ATOM 244 ND1 HIS A 13 2.612 -41.537 -7.973 1.00 61.24 N ATOM 245 CD2 HIS A 13 1.909 -39.506 -8.415 1.00 34.11 C ATOM 246 CE1 HIS A 13 1.278 -41.472 -7.824 1.00 60.24 C ATOM 247 NE2 HIS A 13 0.787 -40.257 -8.079 1.00 4.10 N ATOM 0 H HIS A 13 4.276 -37.538 -8.067 1.00 35.32 H new ATOM 0 HA HIS A 13 4.956 -39.884 -6.443 1.00 5.22 H new ATOM 0 HB2 HIS A 13 4.604 -39.293 -9.420 1.00 4.41 H new ATOM 0 HB3 HIS A 13 5.045 -40.867 -8.788 1.00 4.41 H new ATOM 0 HD2 HIS A 13 1.889 -38.462 -8.691 1.00 34.11 H new ATOM 0 HE1 HIS A 13 0.668 -42.313 -7.529 1.00 60.24 H new ATOM 0 HE2 HIS A 13 -0.185 -39.950 -8.037 1.00 4.10 H new ATOM 255 N PRO A 14 7.429 -40.224 -7.228 1.00 14.10 N ATOM 256 CA PRO A 14 8.851 -40.270 -7.535 1.00 21.41 C ATOM 257 C PRO A 14 9.065 -40.297 -9.052 1.00 31.25 C ATOM 258 O PRO A 14 8.202 -40.752 -9.802 1.00 21.42 O ATOM 259 CB PRO A 14 9.376 -41.542 -6.864 1.00 63.24 C ATOM 260 CG PRO A 14 8.152 -42.454 -6.853 1.00 73.13 C ATOM 261 CD PRO A 14 6.997 -41.478 -6.629 1.00 74.44 C ATOM 0 HA PRO A 14 9.383 -39.392 -7.169 1.00 21.41 H new ATOM 0 HB2 PRO A 14 10.202 -41.982 -7.423 1.00 63.24 H new ATOM 0 HB3 PRO A 14 9.742 -41.345 -5.856 1.00 63.24 H new ATOM 0 HG2 PRO A 14 8.045 -42.997 -7.792 1.00 73.13 H new ATOM 0 HG3 PRO A 14 8.211 -43.199 -6.059 1.00 73.13 H new ATOM 0 HD2 PRO A 14 6.080 -41.841 -7.094 1.00 74.44 H new ATOM 0 HD3 PRO A 14 6.788 -41.354 -5.566 1.00 74.44 H new ATOM 269 N ALA A 15 10.216 -39.776 -9.494 1.00 0.31 N ATOM 270 CA ALA A 15 10.539 -39.558 -10.897 1.00 0.40 C ATOM 271 C ALA A 15 11.072 -40.838 -11.546 1.00 15.01 C ATOM 272 O ALA A 15 12.240 -40.910 -11.923 1.00 74.31 O ATOM 273 CB ALA A 15 11.545 -38.406 -10.979 1.00 11.35 C ATOM 0 H ALA A 15 10.964 -39.489 -8.863 1.00 0.31 H new ATOM 0 HA ALA A 15 9.641 -39.290 -11.454 1.00 0.40 H new ATOM 0 HB1 ALA A 15 11.804 -38.222 -12.022 1.00 11.35 H new ATOM 0 HB2 ALA A 15 11.103 -37.506 -10.551 1.00 11.35 H new ATOM 0 HB3 ALA A 15 12.445 -38.668 -10.423 1.00 11.35 H new ATOM 279 N GLU A 16 10.202 -41.847 -11.682 1.00 31.12 N ATOM 280 CA GLU A 16 10.527 -43.130 -12.288 1.00 13.20 C ATOM 281 C GLU A 16 10.435 -43.027 -13.811 1.00 41.54 C ATOM 282 O GLU A 16 9.578 -42.320 -14.341 1.00 42.43 O ATOM 283 CB GLU A 16 9.574 -44.206 -11.756 1.00 12.32 C ATOM 284 CG GLU A 16 9.797 -44.465 -10.262 1.00 62.33 C ATOM 285 CD GLU A 16 8.827 -45.521 -9.741 1.00 3.30 C ATOM 286 OE1 GLU A 16 9.200 -46.713 -9.792 1.00 5.11 O ATOM 287 OE2 GLU A 16 7.723 -45.124 -9.309 1.00 21.10 O ATOM 0 H GLU A 16 9.234 -41.786 -11.365 1.00 31.12 H new ATOM 0 HA GLU A 16 11.548 -43.408 -12.026 1.00 13.20 H new ATOM 0 HB2 GLU A 16 8.543 -43.895 -11.922 1.00 12.32 H new ATOM 0 HB3 GLU A 16 9.721 -45.131 -12.313 1.00 12.32 H new ATOM 0 HG2 GLU A 16 10.823 -44.794 -10.095 1.00 62.33 H new ATOM 0 HG3 GLU A 16 9.665 -43.538 -9.705 1.00 62.33 H new ATOM 294 N ASN A 17 11.329 -43.736 -14.511 1.00 52.44 N ATOM 295 CA ASN A 17 11.440 -43.677 -15.960 1.00 12.04 C ATOM 296 C ASN A 17 10.305 -44.475 -16.604 1.00 35.10 C ATOM 297 O ASN A 17 10.111 -45.646 -16.284 1.00 13.44 O ATOM 298 CB ASN A 17 12.815 -44.199 -16.402 1.00 1.42 C ATOM 299 CG ASN A 17 13.956 -43.448 -15.716 1.00 3.02 C ATOM 300 OD1 ASN A 17 14.670 -44.018 -14.893 1.00 44.13 O ATOM 301 ND2 ASN A 17 14.124 -42.166 -16.048 1.00 75.11 N ATOM 0 H ASN A 17 11.999 -44.371 -14.076 1.00 52.44 H new ATOM 0 HA ASN A 17 11.352 -42.642 -16.290 1.00 12.04 H new ATOM 0 HB2 ASN A 17 12.891 -45.262 -16.173 1.00 1.42 H new ATOM 0 HB3 ASN A 17 12.912 -44.098 -17.483 1.00 1.42 H new ATOM 0 HD21 ASN A 17 14.868 -41.620 -15.614 1.00 75.11 H new ATOM 0 HD22 ASN A 17 13.508 -41.732 -16.736 1.00 75.11 H new ATOM 308 N GLY A 18 9.552 -43.826 -17.500 1.00 14.01 N ATOM 309 CA GLY A 18 8.410 -44.407 -18.185 1.00 60.44 C ATOM 310 C GLY A 18 7.284 -44.740 -17.209 1.00 21.21 C ATOM 311 O GLY A 18 6.835 -45.885 -17.164 1.00 73.32 O ATOM 0 H GLY A 18 9.731 -42.859 -17.770 1.00 14.01 H new ATOM 0 HA2 GLY A 18 8.045 -43.711 -18.940 1.00 60.44 H new ATOM 0 HA3 GLY A 18 8.719 -45.312 -18.708 1.00 60.44 H new ATOM 315 N LYS A 19 6.827 -43.748 -16.431 1.00 43.02 N ATOM 316 CA LYS A 19 5.754 -43.930 -15.461 1.00 42.22 C ATOM 317 C LYS A 19 5.144 -42.579 -15.092 1.00 14.41 C ATOM 318 O LYS A 19 5.872 -41.676 -14.688 1.00 23.30 O ATOM 319 CB LYS A 19 6.302 -44.634 -14.215 1.00 2.15 C ATOM 320 CG LYS A 19 5.174 -45.112 -13.292 1.00 14.41 C ATOM 321 CD LYS A 19 5.715 -45.767 -12.013 1.00 41.15 C ATOM 322 CE LYS A 19 6.669 -46.944 -12.257 1.00 60.43 C ATOM 323 NZ LYS A 19 6.056 -47.986 -13.098 1.00 13.23 N ATOM 0 H LYS A 19 7.196 -42.798 -16.462 1.00 43.02 H new ATOM 0 HA LYS A 19 4.972 -44.550 -15.900 1.00 42.22 H new ATOM 0 HB2 LYS A 19 6.911 -45.486 -14.517 1.00 2.15 H new ATOM 0 HB3 LYS A 19 6.955 -43.953 -13.669 1.00 2.15 H new ATOM 0 HG2 LYS A 19 4.541 -44.266 -13.026 1.00 14.41 H new ATOM 0 HG3 LYS A 19 4.546 -45.825 -13.826 1.00 14.41 H new ATOM 0 HD2 LYS A 19 6.234 -45.011 -11.424 1.00 41.15 H new ATOM 0 HD3 LYS A 19 4.874 -46.116 -11.414 1.00 41.15 H new ATOM 0 HE2 LYS A 19 7.578 -46.580 -12.736 1.00 60.43 H new ATOM 0 HE3 LYS A 19 6.963 -47.377 -11.301 1.00 60.43 H new ATOM 0 HZ1 LYS A 19 6.728 -48.770 -13.224 1.00 13.23 H new ATOM 0 HZ2 LYS A 19 5.193 -48.340 -12.638 1.00 13.23 H new ATOM 0 HZ3 LYS A 19 5.814 -47.585 -14.027 1.00 13.23 H new ATOM 337 N SER A 20 3.813 -42.470 -15.208 1.00 5.43 N ATOM 338 CA SER A 20 3.016 -41.277 -14.930 1.00 23.45 C ATOM 339 C SER A 20 3.394 -40.605 -13.606 1.00 2.32 C ATOM 340 O SER A 20 3.723 -41.282 -12.632 1.00 25.23 O ATOM 341 CB SER A 20 1.527 -41.647 -14.937 1.00 13.02 C ATOM 342 OG SER A 20 1.270 -42.736 -14.074 1.00 64.41 O ATOM 0 H SER A 20 3.238 -43.255 -15.514 1.00 5.43 H new ATOM 0 HA SER A 20 3.225 -40.551 -15.715 1.00 23.45 H new ATOM 0 HB2 SER A 20 0.934 -40.786 -14.628 1.00 13.02 H new ATOM 0 HB3 SER A 20 1.217 -41.901 -15.951 1.00 13.02 H new ATOM 0 HG SER A 20 0.314 -42.951 -14.095 1.00 64.41 H new ATOM 348 N ASN A 21 3.363 -39.267 -13.593 1.00 40.23 N ATOM 349 CA ASN A 21 3.836 -38.451 -12.485 1.00 24.23 C ATOM 350 C ASN A 21 3.083 -37.120 -12.490 1.00 24.44 C ATOM 351 O ASN A 21 3.064 -36.431 -13.508 1.00 52.54 O ATOM 352 CB ASN A 21 5.349 -38.235 -12.645 1.00 2.33 C ATOM 353 CG ASN A 21 5.984 -37.557 -11.432 1.00 13.05 C ATOM 354 OD1 ASN A 21 5.588 -36.459 -11.048 1.00 3.54 O ATOM 355 ND2 ASN A 21 6.978 -38.206 -10.821 1.00 74.15 N ATOM 0 H ASN A 21 3.000 -38.717 -14.371 1.00 40.23 H new ATOM 0 HA ASN A 21 3.653 -38.945 -11.531 1.00 24.23 H new ATOM 0 HB2 ASN A 21 5.833 -39.197 -12.812 1.00 2.33 H new ATOM 0 HB3 ASN A 21 5.533 -37.628 -13.532 1.00 2.33 H new ATOM 0 HD21 ASN A 21 7.434 -37.791 -10.008 1.00 74.15 H new ATOM 0 HD22 ASN A 21 7.281 -39.116 -11.167 1.00 74.15 H new ATOM 362 N PHE A 22 2.478 -36.749 -11.355 1.00 20.43 N ATOM 363 CA PHE A 22 1.784 -35.476 -11.206 1.00 73.45 C ATOM 364 C PHE A 22 2.740 -34.402 -10.682 1.00 60.22 C ATOM 365 O PHE A 22 3.498 -34.652 -9.746 1.00 40.32 O ATOM 366 CB PHE A 22 0.574 -35.629 -10.279 1.00 72.34 C ATOM 367 CG PHE A 22 -0.609 -36.346 -10.902 1.00 43.03 C ATOM 368 CD1 PHE A 22 -0.686 -37.751 -10.879 1.00 73.43 C ATOM 369 CD2 PHE A 22 -1.663 -35.600 -11.464 1.00 34.33 C ATOM 370 CE1 PHE A 22 -1.830 -38.404 -11.370 1.00 42.02 C ATOM 371 CE2 PHE A 22 -2.816 -36.252 -11.935 1.00 63.21 C ATOM 372 CZ PHE A 22 -2.902 -37.654 -11.884 1.00 34.25 C ATOM 0 H PHE A 22 2.459 -37.328 -10.516 1.00 20.43 H new ATOM 0 HA PHE A 22 1.424 -35.161 -12.185 1.00 73.45 H new ATOM 0 HB2 PHE A 22 0.883 -36.172 -9.386 1.00 72.34 H new ATOM 0 HB3 PHE A 22 0.253 -34.639 -9.955 1.00 72.34 H new ATOM 0 HD1 PHE A 22 0.136 -38.329 -10.483 1.00 73.43 H new ATOM 0 HD2 PHE A 22 -1.585 -34.525 -11.533 1.00 34.33 H new ATOM 0 HE1 PHE A 22 -1.885 -39.482 -11.352 1.00 42.02 H new ATOM 0 HE2 PHE A 22 -3.636 -35.675 -12.336 1.00 63.21 H new ATOM 0 HZ PHE A 22 -3.791 -38.154 -12.239 1.00 34.25 H new ATOM 382 N LEU A 23 2.676 -33.202 -11.274 1.00 2.52 N ATOM 383 CA LEU A 23 3.418 -32.019 -10.846 1.00 25.10 C ATOM 384 C LEU A 23 2.664 -31.349 -9.693 1.00 43.55 C ATOM 385 O LEU A 23 1.492 -31.645 -9.475 1.00 45.21 O ATOM 386 CB LEU A 23 3.546 -31.070 -12.054 1.00 11.04 C ATOM 387 CG LEU A 23 4.561 -29.919 -11.916 1.00 34.22 C ATOM 388 CD1 LEU A 23 6.002 -30.443 -11.861 1.00 42.51 C ATOM 389 CD2 LEU A 23 4.421 -28.974 -13.114 1.00 73.14 C ATOM 0 H LEU A 23 2.087 -33.027 -12.088 1.00 2.52 H new ATOM 0 HA LEU A 23 4.415 -32.283 -10.494 1.00 25.10 H new ATOM 0 HB2 LEU A 23 3.818 -31.663 -12.927 1.00 11.04 H new ATOM 0 HB3 LEU A 23 2.565 -30.639 -12.255 1.00 11.04 H new ATOM 0 HG LEU A 23 4.350 -29.393 -10.985 1.00 34.22 H new ATOM 0 HD11 LEU A 23 6.691 -29.604 -11.764 1.00 42.51 H new ATOM 0 HD12 LEU A 23 6.115 -31.107 -11.004 1.00 42.51 H new ATOM 0 HD13 LEU A 23 6.225 -30.991 -12.776 1.00 42.51 H new ATOM 0 HD21 LEU A 23 5.138 -28.158 -13.020 1.00 73.14 H new ATOM 0 HD22 LEU A 23 4.615 -29.523 -14.035 1.00 73.14 H new ATOM 0 HD23 LEU A 23 3.410 -28.567 -13.140 1.00 73.14 H new ATOM 401 N ASN A 24 3.321 -30.444 -8.957 1.00 33.10 N ATOM 402 CA ASN A 24 2.685 -29.583 -7.971 1.00 11.14 C ATOM 403 C ASN A 24 3.396 -28.232 -7.995 1.00 33.43 C ATOM 404 O ASN A 24 4.237 -27.972 -7.136 1.00 72.25 O ATOM 405 CB ASN A 24 2.784 -30.213 -6.574 1.00 62.41 C ATOM 406 CG ASN A 24 2.139 -31.592 -6.487 1.00 14.40 C ATOM 407 OD1 ASN A 24 2.841 -32.597 -6.417 1.00 20.14 O ATOM 408 ND2 ASN A 24 0.806 -31.642 -6.487 1.00 52.21 N ATOM 0 H ASN A 24 4.327 -30.292 -9.037 1.00 33.10 H new ATOM 0 HA ASN A 24 1.629 -29.455 -8.207 1.00 11.14 H new ATOM 0 HB2 ASN A 24 3.834 -30.292 -6.292 1.00 62.41 H new ATOM 0 HB3 ASN A 24 2.309 -29.551 -5.850 1.00 62.41 H new ATOM 0 HD21 ASN A 24 0.329 -32.542 -6.427 1.00 52.21 H new ATOM 0 HD22 ASN A 24 0.263 -30.780 -6.547 1.00 52.21 H new ATOM 415 N CYS A 25 3.061 -27.372 -8.969 1.00 0.22 N ATOM 416 CA CYS A 25 3.618 -26.024 -9.049 1.00 65.35 C ATOM 417 C CYS A 25 2.901 -25.113 -8.050 1.00 42.13 C ATOM 418 O CYS A 25 2.059 -24.301 -8.426 1.00 4.52 O ATOM 419 CB CYS A 25 3.580 -25.488 -10.487 1.00 33.20 C ATOM 420 SG CYS A 25 4.321 -23.839 -10.667 1.00 13.00 S ATOM 0 H CYS A 25 2.402 -27.594 -9.715 1.00 0.22 H new ATOM 0 HA CYS A 25 4.672 -26.050 -8.773 1.00 65.35 H new ATOM 0 HB2 CYS A 25 4.104 -26.186 -11.140 1.00 33.20 H new ATOM 0 HB3 CYS A 25 2.544 -25.451 -10.825 1.00 33.20 H new ATOM 425 N TYR A 26 3.241 -25.277 -6.767 1.00 53.34 N ATOM 426 CA TYR A 26 2.575 -24.651 -5.637 1.00 40.31 C ATOM 427 C TYR A 26 3.067 -23.210 -5.478 1.00 64.14 C ATOM 428 O TYR A 26 4.199 -22.979 -5.059 1.00 71.52 O ATOM 429 CB TYR A 26 2.807 -25.536 -4.404 1.00 31.20 C ATOM 430 CG TYR A 26 2.079 -25.150 -3.129 1.00 62.21 C ATOM 431 CD1 TYR A 26 1.031 -25.966 -2.662 1.00 2.14 C ATOM 432 CD2 TYR A 26 2.609 -24.154 -2.287 1.00 21.24 C ATOM 433 CE1 TYR A 26 0.528 -25.800 -1.360 1.00 1.33 C ATOM 434 CE2 TYR A 26 2.106 -23.988 -0.985 1.00 41.14 C ATOM 435 CZ TYR A 26 1.066 -24.811 -0.520 1.00 44.21 C ATOM 436 OH TYR A 26 0.583 -24.656 0.747 1.00 24.44 O ATOM 0 H TYR A 26 4.018 -25.874 -6.484 1.00 53.34 H new ATOM 0 HA TYR A 26 1.498 -24.575 -5.787 1.00 40.31 H new ATOM 0 HB2 TYR A 26 2.521 -26.556 -4.661 1.00 31.20 H new ATOM 0 HB3 TYR A 26 3.876 -25.548 -4.193 1.00 31.20 H new ATOM 0 HD1 TYR A 26 0.611 -26.723 -3.307 1.00 2.14 H new ATOM 0 HD2 TYR A 26 3.404 -23.516 -2.642 1.00 21.24 H new ATOM 0 HE1 TYR A 26 -0.272 -26.433 -1.005 1.00 1.33 H new ATOM 0 HE2 TYR A 26 2.520 -23.226 -0.341 1.00 41.14 H new ATOM 0 HH TYR A 26 -0.352 -24.367 0.707 1.00 24.44 H new ATOM 446 N VAL A 27 2.222 -22.244 -5.856 1.00 34.33 N ATOM 447 CA VAL A 27 2.555 -20.827 -5.894 1.00 2.20 C ATOM 448 C VAL A 27 1.913 -20.120 -4.700 1.00 0.04 C ATOM 449 O VAL A 27 0.690 -20.055 -4.612 1.00 14.15 O ATOM 450 CB VAL A 27 2.127 -20.216 -7.244 1.00 52.52 C ATOM 451 CG1 VAL A 27 3.043 -20.730 -8.363 1.00 25.20 C ATOM 452 CG2 VAL A 27 0.671 -20.488 -7.653 1.00 5.33 C ATOM 0 H VAL A 27 1.265 -22.438 -6.150 1.00 34.33 H new ATOM 0 HA VAL A 27 3.634 -20.693 -5.815 1.00 2.20 H new ATOM 0 HB VAL A 27 2.214 -19.139 -7.102 1.00 52.52 H new ATOM 0 HG11 VAL A 27 2.735 -20.295 -9.314 1.00 25.20 H new ATOM 0 HG12 VAL A 27 4.073 -20.445 -8.150 1.00 25.20 H new ATOM 0 HG13 VAL A 27 2.972 -21.816 -8.421 1.00 25.20 H new ATOM 0 HG21 VAL A 27 0.469 -20.017 -8.615 1.00 5.33 H new ATOM 0 HG22 VAL A 27 0.511 -21.563 -7.735 1.00 5.33 H new ATOM 0 HG23 VAL A 27 -0.001 -20.077 -6.900 1.00 5.33 H new ATOM 462 N SER A 28 2.732 -19.628 -3.761 1.00 65.42 N ATOM 463 CA SER A 28 2.242 -19.028 -2.525 1.00 24.13 C ATOM 464 C SER A 28 2.425 -17.506 -2.506 1.00 31.14 C ATOM 465 O SER A 28 3.519 -17.002 -2.760 1.00 71.12 O ATOM 466 CB SER A 28 2.926 -19.693 -1.324 1.00 41.31 C ATOM 467 OG SER A 28 4.330 -19.585 -1.399 1.00 21.41 O ATOM 0 H SER A 28 3.749 -19.637 -3.842 1.00 65.42 H new ATOM 0 HA SER A 28 1.168 -19.204 -2.463 1.00 24.13 H new ATOM 0 HB2 SER A 28 2.574 -19.230 -0.402 1.00 41.31 H new ATOM 0 HB3 SER A 28 2.644 -20.745 -1.281 1.00 41.31 H new ATOM 0 HG SER A 28 4.733 -20.470 -1.279 1.00 21.41 H new ATOM 473 N GLY A 29 1.351 -16.787 -2.150 1.00 34.32 N ATOM 474 CA GLY A 29 1.389 -15.380 -1.771 1.00 33.30 C ATOM 475 C GLY A 29 1.573 -14.433 -2.956 1.00 13.04 C ATOM 476 O GLY A 29 2.415 -13.541 -2.890 1.00 4.12 O ATOM 0 H GLY A 29 0.412 -17.184 -2.119 1.00 34.32 H new ATOM 0 HA2 GLY A 29 0.464 -15.126 -1.254 1.00 33.30 H new ATOM 0 HA3 GLY A 29 2.203 -15.225 -1.063 1.00 33.30 H new ATOM 480 N PHE A 30 0.780 -14.607 -4.019 1.00 23.12 N ATOM 481 CA PHE A 30 0.808 -13.756 -5.203 1.00 15.14 C ATOM 482 C PHE A 30 -0.301 -12.711 -5.134 1.00 11.10 C ATOM 483 O PHE A 30 -1.471 -13.033 -5.322 1.00 34.23 O ATOM 484 CB PHE A 30 0.710 -14.602 -6.475 1.00 20.43 C ATOM 485 CG PHE A 30 -0.407 -15.630 -6.518 1.00 65.32 C ATOM 486 CD1 PHE A 30 -0.249 -16.872 -5.875 1.00 1.41 C ATOM 487 CD2 PHE A 30 -1.618 -15.333 -7.172 1.00 53.25 C ATOM 488 CE1 PHE A 30 -1.344 -17.744 -5.765 1.00 4.53 C ATOM 489 CE2 PHE A 30 -2.709 -16.212 -7.065 1.00 52.51 C ATOM 490 CZ PHE A 30 -2.581 -17.394 -6.321 1.00 11.13 C ATOM 0 H PHE A 30 0.091 -15.357 -4.077 1.00 23.12 H new ATOM 0 HA PHE A 30 1.760 -13.226 -5.234 1.00 15.14 H new ATOM 0 HB2 PHE A 30 0.588 -13.929 -7.324 1.00 20.43 H new ATOM 0 HB3 PHE A 30 1.658 -15.122 -6.614 1.00 20.43 H new ATOM 0 HD1 PHE A 30 0.711 -17.153 -5.468 1.00 1.41 H new ATOM 0 HD2 PHE A 30 -1.708 -14.429 -7.756 1.00 53.25 H new ATOM 0 HE1 PHE A 30 -1.232 -18.687 -5.250 1.00 4.53 H new ATOM 0 HE2 PHE A 30 -3.643 -15.978 -7.554 1.00 52.51 H new ATOM 0 HZ PHE A 30 -3.438 -18.035 -6.177 1.00 11.13 H new ATOM 500 N HIS A 31 0.077 -11.461 -4.859 1.00 52.35 N ATOM 501 CA HIS A 31 -0.847 -10.335 -4.767 1.00 31.32 C ATOM 502 C HIS A 31 -0.659 -9.412 -5.973 1.00 12.42 C ATOM 503 O HIS A 31 0.451 -8.922 -6.172 1.00 2.31 O ATOM 504 CB HIS A 31 -0.614 -9.555 -3.471 1.00 2.04 C ATOM 505 CG HIS A 31 -1.134 -10.257 -2.250 1.00 52.03 C ATOM 506 ND1 HIS A 31 -2.413 -10.031 -1.773 1.00 51.54 N ATOM 507 CD2 HIS A 31 -0.584 -11.187 -1.401 1.00 41.41 C ATOM 508 CE1 HIS A 31 -2.581 -10.819 -0.702 1.00 12.54 C ATOM 509 NE2 HIS A 31 -1.496 -11.540 -0.410 1.00 15.23 N ATOM 0 H HIS A 31 1.049 -11.201 -4.692 1.00 52.35 H new ATOM 0 HA HIS A 31 -1.867 -10.718 -4.762 1.00 31.32 H new ATOM 0 HB2 HIS A 31 0.454 -9.376 -3.351 1.00 2.04 H new ATOM 0 HB3 HIS A 31 -1.093 -8.579 -3.552 1.00 2.04 H new ATOM 0 HD1 HIS A 31 -3.100 -9.385 -2.163 1.00 51.54 H new ATOM 0 HD2 HIS A 31 0.415 -11.588 -1.490 1.00 41.41 H new ATOM 0 HE1 HIS A 31 -3.499 -10.866 -0.134 1.00 12.54 H new ATOM 517 N PRO A 32 -1.708 -9.140 -6.769 1.00 25.22 N ATOM 518 CA PRO A 32 -3.070 -9.648 -6.649 1.00 11.44 C ATOM 519 C PRO A 32 -3.157 -11.091 -7.154 1.00 42.41 C ATOM 520 O PRO A 32 -2.177 -11.646 -7.649 1.00 35.34 O ATOM 521 CB PRO A 32 -3.903 -8.721 -7.536 1.00 73.11 C ATOM 522 CG PRO A 32 -2.929 -8.399 -8.668 1.00 4.05 C ATOM 523 CD PRO A 32 -1.610 -8.250 -7.912 1.00 12.30 C ATOM 0 HA PRO A 32 -3.416 -9.660 -5.616 1.00 11.44 H new ATOM 0 HB2 PRO A 32 -4.806 -9.210 -7.902 1.00 73.11 H new ATOM 0 HB3 PRO A 32 -4.220 -7.824 -7.004 1.00 73.11 H new ATOM 0 HG2 PRO A 32 -2.887 -9.196 -9.410 1.00 4.05 H new ATOM 0 HG3 PRO A 32 -3.203 -7.486 -9.196 1.00 4.05 H new ATOM 0 HD2 PRO A 32 -0.764 -8.518 -8.545 1.00 12.30 H new ATOM 0 HD3 PRO A 32 -1.456 -7.219 -7.593 1.00 12.30 H new ATOM 531 N SER A 33 -4.352 -11.685 -7.051 1.00 45.21 N ATOM 532 CA SER A 33 -4.626 -13.052 -7.475 1.00 44.05 C ATOM 533 C SER A 33 -4.523 -13.267 -8.998 1.00 20.53 C ATOM 534 O SER A 33 -4.641 -14.405 -9.449 1.00 41.55 O ATOM 535 CB SER A 33 -6.003 -13.471 -6.950 1.00 21.53 C ATOM 536 OG SER A 33 -7.001 -12.612 -7.459 1.00 31.11 O ATOM 0 H SER A 33 -5.169 -11.214 -6.662 1.00 45.21 H new ATOM 0 HA SER A 33 -3.849 -13.686 -7.047 1.00 44.05 H new ATOM 0 HB2 SER A 33 -6.214 -14.499 -7.243 1.00 21.53 H new ATOM 0 HB3 SER A 33 -6.009 -13.442 -5.860 1.00 21.53 H new ATOM 0 HG SER A 33 -7.877 -12.890 -7.118 1.00 31.11 H new ATOM 542 N ASP A 34 -4.317 -12.200 -9.787 1.00 65.25 N ATOM 543 CA ASP A 34 -4.256 -12.242 -11.245 1.00 64.13 C ATOM 544 C ASP A 34 -2.928 -12.840 -11.734 1.00 31.44 C ATOM 545 O ASP A 34 -2.012 -12.111 -12.113 1.00 54.42 O ATOM 546 CB ASP A 34 -4.494 -10.820 -11.779 1.00 64.14 C ATOM 547 CG ASP A 34 -4.496 -10.753 -13.305 1.00 32.15 C ATOM 548 OD1 ASP A 34 -5.342 -11.452 -13.906 1.00 13.51 O ATOM 549 OD2 ASP A 34 -3.664 -9.989 -13.842 1.00 20.13 O ATOM 0 H ASP A 34 -4.185 -11.261 -9.411 1.00 65.25 H new ATOM 0 HA ASP A 34 -5.034 -12.900 -11.633 1.00 64.13 H new ATOM 0 HB2 ASP A 34 -5.448 -10.450 -11.402 1.00 64.14 H new ATOM 0 HB3 ASP A 34 -3.720 -10.157 -11.392 1.00 64.14 H new ATOM 554 N ILE A 35 -2.842 -14.178 -11.708 1.00 21.42 N ATOM 555 CA ILE A 35 -1.671 -14.962 -12.097 1.00 62.43 C ATOM 556 C ILE A 35 -1.942 -15.734 -13.397 1.00 41.02 C ATOM 557 O ILE A 35 -3.094 -16.050 -13.694 1.00 43.31 O ATOM 558 CB ILE A 35 -1.267 -15.890 -10.930 1.00 40.12 C ATOM 559 CG1 ILE A 35 0.181 -16.379 -11.113 1.00 55.34 C ATOM 560 CG2 ILE A 35 -2.257 -17.051 -10.752 1.00 40.51 C ATOM 561 CD1 ILE A 35 0.688 -17.180 -9.914 1.00 4.51 C ATOM 0 H ILE A 35 -3.620 -14.763 -11.402 1.00 21.42 H new ATOM 0 HA ILE A 35 -0.832 -14.297 -12.302 1.00 62.43 H new ATOM 0 HB ILE A 35 -1.309 -15.314 -10.006 1.00 40.12 H new ATOM 0 HG12 ILE A 35 0.241 -16.996 -12.009 1.00 55.34 H new ATOM 0 HG13 ILE A 35 0.833 -15.520 -11.273 1.00 55.34 H new ATOM 0 HG21 ILE A 35 -1.936 -17.679 -9.921 1.00 40.51 H new ATOM 0 HG22 ILE A 35 -3.250 -16.653 -10.543 1.00 40.51 H new ATOM 0 HG23 ILE A 35 -2.289 -17.645 -11.665 1.00 40.51 H new ATOM 0 HD11 ILE A 35 1.714 -17.500 -10.097 1.00 4.51 H new ATOM 0 HD12 ILE A 35 0.656 -16.557 -9.020 1.00 4.51 H new ATOM 0 HD13 ILE A 35 0.056 -18.056 -9.768 1.00 4.51 H new ATOM 573 N GLU A 36 -0.884 -16.037 -14.165 1.00 74.33 N ATOM 574 CA GLU A 36 -0.954 -16.731 -15.448 1.00 4.31 C ATOM 575 C GLU A 36 0.048 -17.894 -15.474 1.00 32.53 C ATOM 576 O GLU A 36 1.055 -17.849 -16.179 1.00 3.11 O ATOM 577 CB GLU A 36 -0.660 -15.748 -16.588 1.00 43.32 C ATOM 578 CG GLU A 36 -1.594 -14.530 -16.660 1.00 64.11 C ATOM 579 CD GLU A 36 -1.255 -13.445 -15.638 1.00 52.24 C ATOM 580 OE1 GLU A 36 -0.057 -13.096 -15.544 1.00 44.34 O ATOM 581 OE2 GLU A 36 -2.202 -12.978 -14.970 1.00 45.42 O ATOM 0 H GLU A 36 0.070 -15.796 -13.897 1.00 74.33 H new ATOM 0 HA GLU A 36 -1.958 -17.134 -15.581 1.00 4.31 H new ATOM 0 HB2 GLU A 36 0.366 -15.393 -16.485 1.00 43.32 H new ATOM 0 HB3 GLU A 36 -0.718 -16.286 -17.534 1.00 43.32 H new ATOM 0 HG2 GLU A 36 -1.546 -14.103 -17.662 1.00 64.11 H new ATOM 0 HG3 GLU A 36 -2.621 -14.859 -16.503 1.00 64.11 H new ATOM 588 N VAL A 37 -0.237 -18.954 -14.714 1.00 73.53 N ATOM 589 CA VAL A 37 0.601 -20.149 -14.664 1.00 34.42 C ATOM 590 C VAL A 37 0.283 -21.045 -15.865 1.00 40.43 C ATOM 591 O VAL A 37 -0.585 -21.914 -15.795 1.00 14.00 O ATOM 592 CB VAL A 37 0.431 -20.881 -13.325 1.00 63.12 C ATOM 593 CG1 VAL A 37 1.420 -22.048 -13.229 1.00 3.31 C ATOM 594 CG2 VAL A 37 0.689 -19.924 -12.156 1.00 20.43 C ATOM 0 H VAL A 37 -1.060 -19.005 -14.114 1.00 73.53 H new ATOM 0 HA VAL A 37 1.651 -19.863 -14.727 1.00 34.42 H new ATOM 0 HB VAL A 37 -0.591 -21.257 -13.273 1.00 63.12 H new ATOM 0 HG11 VAL A 37 1.289 -22.558 -12.275 1.00 3.31 H new ATOM 0 HG12 VAL A 37 1.236 -22.749 -14.044 1.00 3.31 H new ATOM 0 HG13 VAL A 37 2.439 -21.668 -13.300 1.00 3.31 H new ATOM 0 HG21 VAL A 37 0.564 -20.458 -11.214 1.00 20.43 H new ATOM 0 HG22 VAL A 37 1.705 -19.536 -12.221 1.00 20.43 H new ATOM 0 HG23 VAL A 37 -0.019 -19.097 -12.200 1.00 20.43 H new ATOM 604 N ASP A 38 0.991 -20.801 -16.971 1.00 44.12 N ATOM 605 CA ASP A 38 0.701 -21.362 -18.288 1.00 53.25 C ATOM 606 C ASP A 38 1.727 -22.452 -18.616 1.00 54.34 C ATOM 607 O ASP A 38 2.431 -22.366 -19.622 1.00 72.51 O ATOM 608 CB ASP A 38 0.741 -20.226 -19.328 1.00 62.24 C ATOM 609 CG ASP A 38 -0.296 -19.120 -19.122 1.00 54.33 C ATOM 610 OD1 ASP A 38 -0.231 -18.151 -19.910 1.00 54.43 O ATOM 611 OD2 ASP A 38 -1.130 -19.249 -18.200 1.00 35.53 O ATOM 0 H ASP A 38 1.806 -20.188 -16.972 1.00 44.12 H new ATOM 0 HA ASP A 38 -0.290 -21.816 -18.302 1.00 53.25 H new ATOM 0 HB2 ASP A 38 1.735 -19.778 -19.315 1.00 62.24 H new ATOM 0 HB3 ASP A 38 0.598 -20.657 -20.319 1.00 62.24 H new ATOM 616 N LEU A 39 1.849 -23.454 -17.736 1.00 12.13 N ATOM 617 CA LEU A 39 2.999 -24.350 -17.692 1.00 2.50 C ATOM 618 C LEU A 39 3.185 -25.231 -18.927 1.00 32.24 C ATOM 619 O LEU A 39 2.250 -25.465 -19.694 1.00 74.22 O ATOM 620 CB LEU A 39 2.950 -25.192 -16.418 1.00 34.25 C ATOM 621 CG LEU A 39 1.772 -26.174 -16.439 1.00 11.23 C ATOM 622 CD1 LEU A 39 2.310 -27.599 -16.319 1.00 40.24 C ATOM 623 CD2 LEU A 39 0.802 -25.893 -15.287 1.00 1.53 C ATOM 0 H LEU A 39 1.143 -23.663 -17.030 1.00 12.13 H new ATOM 0 HA LEU A 39 3.878 -23.705 -17.686 1.00 2.50 H new ATOM 0 HB2 LEU A 39 3.884 -25.744 -16.309 1.00 34.25 H new ATOM 0 HB3 LEU A 39 2.864 -24.537 -15.551 1.00 34.25 H new ATOM 0 HG LEU A 39 1.231 -26.053 -17.377 1.00 11.23 H new ATOM 0 HD11 LEU A 39 1.479 -28.304 -16.333 1.00 40.24 H new ATOM 0 HD12 LEU A 39 2.977 -27.808 -17.155 1.00 40.24 H new ATOM 0 HD13 LEU A 39 2.858 -27.703 -15.383 1.00 40.24 H new ATOM 0 HD21 LEU A 39 -0.024 -26.603 -15.325 1.00 1.53 H new ATOM 0 HD22 LEU A 39 1.326 -25.996 -14.337 1.00 1.53 H new ATOM 0 HD23 LEU A 39 0.413 -24.879 -15.378 1.00 1.53 H new ATOM 635 N LEU A 40 4.431 -25.693 -19.097 1.00 3.34 N ATOM 636 CA LEU A 40 4.933 -26.353 -20.292 1.00 4.10 C ATOM 637 C LEU A 40 5.532 -27.719 -19.955 1.00 54.23 C ATOM 638 O LEU A 40 5.925 -27.975 -18.817 1.00 25.52 O ATOM 639 CB LEU A 40 6.023 -25.485 -20.944 1.00 45.34 C ATOM 640 CG LEU A 40 5.681 -23.992 -21.091 1.00 3.04 C ATOM 641 CD1 LEU A 40 6.860 -23.277 -21.762 1.00 5.02 C ATOM 642 CD2 LEU A 40 4.405 -23.759 -21.904 1.00 71.25 C ATOM 0 H LEU A 40 5.141 -25.609 -18.369 1.00 3.34 H new ATOM 0 HA LEU A 40 4.096 -26.491 -20.977 1.00 4.10 H new ATOM 0 HB2 LEU A 40 6.935 -25.574 -20.354 1.00 45.34 H new ATOM 0 HB3 LEU A 40 6.242 -25.889 -21.933 1.00 45.34 H new ATOM 0 HG LEU A 40 5.501 -23.590 -20.094 1.00 3.04 H new ATOM 0 HD11 LEU A 40 6.628 -22.218 -21.871 1.00 5.02 H new ATOM 0 HD12 LEU A 40 7.753 -23.392 -21.147 1.00 5.02 H new ATOM 0 HD13 LEU A 40 7.038 -23.713 -22.745 1.00 5.02 H new ATOM 0 HD21 LEU A 40 4.210 -22.689 -21.977 1.00 71.25 H new ATOM 0 HD22 LEU A 40 4.530 -24.174 -22.904 1.00 71.25 H new ATOM 0 HD23 LEU A 40 3.565 -24.248 -21.411 1.00 71.25 H new ATOM 654 N LYS A 41 5.652 -28.568 -20.983 1.00 3.40 N ATOM 655 CA LYS A 41 6.455 -29.781 -20.964 1.00 44.53 C ATOM 656 C LYS A 41 7.221 -29.862 -22.282 1.00 72.22 C ATOM 657 O LYS A 41 6.612 -29.892 -23.348 1.00 73.21 O ATOM 658 CB LYS A 41 5.583 -31.019 -20.707 1.00 72.33 C ATOM 659 CG LYS A 41 4.491 -31.282 -21.753 1.00 40.12 C ATOM 660 CD LYS A 41 3.645 -32.495 -21.344 1.00 1.11 C ATOM 661 CE LYS A 41 2.507 -32.774 -22.335 1.00 3.34 C ATOM 662 NZ LYS A 41 3.005 -33.058 -23.693 1.00 12.21 N ATOM 0 H LYS A 41 5.177 -28.419 -21.873 1.00 3.40 H new ATOM 0 HA LYS A 41 7.171 -29.752 -20.143 1.00 44.53 H new ATOM 0 HB2 LYS A 41 6.230 -31.894 -20.654 1.00 72.33 H new ATOM 0 HB3 LYS A 41 5.110 -30.913 -19.731 1.00 72.33 H new ATOM 0 HG2 LYS A 41 3.854 -30.403 -21.853 1.00 40.12 H new ATOM 0 HG3 LYS A 41 4.946 -31.459 -22.728 1.00 40.12 H new ATOM 0 HD2 LYS A 41 4.285 -33.374 -21.273 1.00 1.11 H new ATOM 0 HD3 LYS A 41 3.226 -32.325 -20.352 1.00 1.11 H new ATOM 0 HE2 LYS A 41 1.920 -33.621 -21.981 1.00 3.34 H new ATOM 0 HE3 LYS A 41 1.838 -31.914 -22.368 1.00 3.34 H new ATOM 0 HZ1 LYS A 41 2.211 -33.339 -24.302 1.00 12.21 H new ATOM 0 HZ2 LYS A 41 3.455 -32.206 -24.083 1.00 12.21 H new ATOM 0 HZ3 LYS A 41 3.701 -33.830 -23.653 1.00 12.21 H new ATOM 676 N ASN A 42 8.557 -29.838 -22.216 1.00 24.10 N ATOM 677 CA ASN A 42 9.427 -29.799 -23.387 1.00 4.02 C ATOM 678 C ASN A 42 9.097 -28.598 -24.286 1.00 11.21 C ATOM 679 O ASN A 42 9.209 -28.689 -25.506 1.00 61.42 O ATOM 680 CB ASN A 42 9.355 -31.132 -24.151 1.00 32.54 C ATOM 681 CG ASN A 42 9.649 -32.325 -23.243 1.00 5.22 C ATOM 682 OD1 ASN A 42 8.746 -32.862 -22.604 1.00 12.40 O ATOM 683 ND2 ASN A 42 10.913 -32.747 -23.191 1.00 44.12 N ATOM 0 H ASN A 42 9.067 -29.845 -21.333 1.00 24.10 H new ATOM 0 HA ASN A 42 10.456 -29.665 -23.052 1.00 4.02 H new ATOM 0 HB2 ASN A 42 8.364 -31.246 -24.590 1.00 32.54 H new ATOM 0 HB3 ASN A 42 10.069 -31.118 -24.974 1.00 32.54 H new ATOM 0 HD21 ASN A 42 11.161 -33.544 -22.605 1.00 44.12 H new ATOM 0 HD22 ASN A 42 11.632 -32.273 -23.737 1.00 44.12 H new ATOM 690 N GLY A 43 8.663 -27.481 -23.682 1.00 13.44 N ATOM 691 CA GLY A 43 8.231 -26.285 -24.391 1.00 62.21 C ATOM 692 C GLY A 43 6.748 -26.322 -24.786 1.00 13.11 C ATOM 693 O GLY A 43 6.162 -25.267 -25.026 1.00 33.52 O ATOM 0 H GLY A 43 8.605 -27.391 -22.668 1.00 13.44 H new ATOM 0 HA2 GLY A 43 8.412 -25.412 -23.763 1.00 62.21 H new ATOM 0 HA3 GLY A 43 8.837 -26.163 -25.289 1.00 62.21 H new ATOM 697 N GLU A 44 6.139 -27.514 -24.864 1.00 74.41 N ATOM 698 CA GLU A 44 4.770 -27.705 -25.328 1.00 20.20 C ATOM 699 C GLU A 44 3.789 -27.326 -24.220 1.00 54.23 C ATOM 700 O GLU A 44 3.770 -27.965 -23.169 1.00 2.10 O ATOM 701 CB GLU A 44 4.549 -29.163 -25.764 1.00 14.24 C ATOM 702 CG GLU A 44 5.599 -29.673 -26.760 1.00 62.54 C ATOM 703 CD GLU A 44 5.635 -28.837 -28.037 1.00 3.40 C ATOM 704 OE1 GLU A 44 4.871 -29.184 -28.963 1.00 63.22 O ATOM 705 OE2 GLU A 44 6.423 -27.866 -28.065 1.00 63.22 O ATOM 0 H GLU A 44 6.599 -28.385 -24.600 1.00 74.41 H new ATOM 0 HA GLU A 44 4.597 -27.060 -26.189 1.00 20.20 H new ATOM 0 HB2 GLU A 44 4.557 -29.802 -24.881 1.00 14.24 H new ATOM 0 HB3 GLU A 44 3.560 -29.253 -26.214 1.00 14.24 H new ATOM 0 HG2 GLU A 44 6.582 -29.657 -26.289 1.00 62.54 H new ATOM 0 HG3 GLU A 44 5.384 -30.711 -27.013 1.00 62.54 H new ATOM 712 N ARG A 45 2.964 -26.301 -24.465 1.00 75.13 N ATOM 713 CA ARG A 45 1.948 -25.857 -23.524 1.00 32.30 C ATOM 714 C ARG A 45 0.870 -26.929 -23.372 1.00 64.43 C ATOM 715 O ARG A 45 0.477 -27.562 -24.351 1.00 4.22 O ATOM 716 CB ARG A 45 1.361 -24.515 -23.973 1.00 71.14 C ATOM 717 CG ARG A 45 0.535 -23.879 -22.844 1.00 43.31 C ATOM 718 CD ARG A 45 -0.159 -22.601 -23.313 1.00 4.42 C ATOM 719 NE ARG A 45 0.806 -21.599 -23.780 1.00 14.03 N ATOM 720 CZ ARG A 45 0.485 -20.512 -24.503 1.00 22.23 C ATOM 721 NH1 ARG A 45 -0.792 -20.248 -24.815 1.00 54.31 N ATOM 722 NH2 ARG A 45 1.453 -19.685 -24.923 1.00 63.34 N ATOM 0 H ARG A 45 2.989 -25.758 -25.328 1.00 75.13 H new ATOM 0 HA ARG A 45 2.402 -25.704 -22.545 1.00 32.30 H new ATOM 0 HB2 ARG A 45 2.165 -23.840 -24.266 1.00 71.14 H new ATOM 0 HB3 ARG A 45 0.733 -24.663 -24.851 1.00 71.14 H new ATOM 0 HG2 ARG A 45 -0.211 -24.591 -22.491 1.00 43.31 H new ATOM 0 HG3 ARG A 45 1.185 -23.653 -21.999 1.00 43.31 H new ATOM 0 HD2 ARG A 45 -0.855 -22.839 -24.118 1.00 4.42 H new ATOM 0 HD3 ARG A 45 -0.748 -22.186 -22.495 1.00 4.42 H new ATOM 0 HE ARG A 45 1.788 -21.737 -23.540 1.00 14.03 H new ATOM 0 HH11 ARG A 45 -1.533 -20.875 -24.503 1.00 54.31 H new ATOM 0 HH12 ARG A 45 -1.022 -19.420 -25.364 1.00 54.31 H new ATOM 0 HH21 ARG A 45 2.427 -19.882 -24.694 1.00 63.34 H new ATOM 0 HH22 ARG A 45 1.215 -18.859 -25.472 1.00 63.34 H new ATOM 736 N ILE A 46 0.427 -27.141 -22.128 1.00 23.22 N ATOM 737 CA ILE A 46 -0.504 -28.196 -21.769 1.00 2.43 C ATOM 738 C ILE A 46 -1.912 -27.604 -21.718 1.00 55.11 C ATOM 739 O ILE A 46 -2.212 -26.812 -20.826 1.00 0.34 O ATOM 740 CB ILE A 46 -0.087 -28.818 -20.424 1.00 25.11 C ATOM 741 CG1 ILE A 46 1.412 -29.169 -20.449 1.00 15.14 C ATOM 742 CG2 ILE A 46 -0.950 -30.060 -20.150 1.00 73.33 C ATOM 743 CD1 ILE A 46 1.855 -29.938 -19.208 1.00 24.40 C ATOM 0 H ILE A 46 0.716 -26.569 -21.334 1.00 23.22 H new ATOM 0 HA ILE A 46 -0.494 -28.994 -22.511 1.00 2.43 H new ATOM 0 HB ILE A 46 -0.247 -28.102 -19.618 1.00 25.11 H new ATOM 0 HG12 ILE A 46 1.627 -29.764 -21.337 1.00 15.14 H new ATOM 0 HG13 ILE A 46 1.995 -28.252 -20.531 1.00 15.14 H new ATOM 0 HG21 ILE A 46 -0.658 -30.503 -19.198 1.00 73.33 H new ATOM 0 HG22 ILE A 46 -2.000 -29.771 -20.108 1.00 73.33 H new ATOM 0 HG23 ILE A 46 -0.805 -30.787 -20.949 1.00 73.33 H new ATOM 0 HD11 ILE A 46 2.920 -30.160 -19.278 1.00 24.40 H new ATOM 0 HD12 ILE A 46 1.668 -29.335 -18.320 1.00 24.40 H new ATOM 0 HD13 ILE A 46 1.294 -30.870 -19.138 1.00 24.40 H new ATOM 755 N GLU A 47 -2.778 -28.009 -22.655 1.00 53.03 N ATOM 756 CA GLU A 47 -4.172 -27.579 -22.717 1.00 23.13 C ATOM 757 C GLU A 47 -5.033 -28.491 -21.830 1.00 11.10 C ATOM 758 O GLU A 47 -6.084 -28.971 -22.252 1.00 62.23 O ATOM 759 CB GLU A 47 -4.646 -27.572 -24.183 1.00 14.24 C ATOM 760 CG GLU A 47 -4.088 -26.395 -24.995 1.00 64.24 C ATOM 761 CD GLU A 47 -2.569 -26.421 -25.140 1.00 20.33 C ATOM 762 OE1 GLU A 47 -2.081 -27.347 -25.823 1.00 2.45 O ATOM 763 OE2 GLU A 47 -1.925 -25.517 -24.565 1.00 33.22 O ATOM 0 H GLU A 47 -2.521 -28.655 -23.401 1.00 53.03 H new ATOM 0 HA GLU A 47 -4.272 -26.563 -22.336 1.00 23.13 H new ATOM 0 HB2 GLU A 47 -4.348 -28.506 -24.659 1.00 14.24 H new ATOM 0 HB3 GLU A 47 -5.735 -27.536 -24.205 1.00 14.24 H new ATOM 0 HG2 GLU A 47 -4.540 -26.402 -25.987 1.00 64.24 H new ATOM 0 HG3 GLU A 47 -4.383 -25.461 -24.516 1.00 64.24 H new ATOM 770 N LYS A 48 -4.577 -28.720 -20.592 1.00 60.52 N ATOM 771 CA LYS A 48 -5.236 -29.539 -19.586 1.00 12.41 C ATOM 772 C LYS A 48 -4.535 -29.293 -18.247 1.00 43.41 C ATOM 773 O LYS A 48 -3.925 -30.197 -17.676 1.00 11.03 O ATOM 774 CB LYS A 48 -5.214 -31.023 -19.996 1.00 74.32 C ATOM 775 CG LYS A 48 -6.129 -31.867 -19.099 1.00 23.50 C ATOM 776 CD LYS A 48 -6.091 -33.334 -19.534 1.00 72.34 C ATOM 777 CE LYS A 48 -6.995 -34.170 -18.624 1.00 73.11 C ATOM 778 NZ LYS A 48 -6.987 -35.589 -19.019 1.00 60.13 N ATOM 0 H LYS A 48 -3.701 -28.319 -20.257 1.00 60.52 H new ATOM 0 HA LYS A 48 -6.287 -29.266 -19.491 1.00 12.41 H new ATOM 0 HB2 LYS A 48 -5.531 -31.120 -21.034 1.00 74.32 H new ATOM 0 HB3 LYS A 48 -4.194 -31.403 -19.937 1.00 74.32 H new ATOM 0 HG2 LYS A 48 -5.812 -31.780 -18.060 1.00 23.50 H new ATOM 0 HG3 LYS A 48 -7.151 -31.491 -19.153 1.00 23.50 H new ATOM 0 HD2 LYS A 48 -6.419 -33.424 -20.570 1.00 72.34 H new ATOM 0 HD3 LYS A 48 -5.069 -33.709 -19.490 1.00 72.34 H new ATOM 0 HE2 LYS A 48 -6.661 -34.076 -17.591 1.00 73.11 H new ATOM 0 HE3 LYS A 48 -8.014 -33.784 -18.666 1.00 73.11 H new ATOM 0 HZ1 LYS A 48 -7.609 -36.130 -18.384 1.00 60.13 H new ATOM 0 HZ2 LYS A 48 -7.329 -35.679 -19.997 1.00 60.13 H new ATOM 0 HZ3 LYS A 48 -6.018 -35.962 -18.955 1.00 60.13 H new ATOM 792 N VAL A 49 -4.613 -28.051 -17.755 1.00 22.45 N ATOM 793 CA VAL A 49 -4.092 -27.682 -16.449 1.00 15.12 C ATOM 794 C VAL A 49 -5.166 -27.987 -15.408 1.00 33.42 C ATOM 795 O VAL A 49 -6.304 -27.539 -15.549 1.00 12.03 O ATOM 796 CB VAL A 49 -3.702 -26.197 -16.418 1.00 64.35 C ATOM 797 CG1 VAL A 49 -3.088 -25.858 -15.058 1.00 74.11 C ATOM 798 CG2 VAL A 49 -2.707 -25.838 -17.530 1.00 14.30 C ATOM 0 H VAL A 49 -5.043 -27.276 -18.260 1.00 22.45 H new ATOM 0 HA VAL A 49 -3.191 -28.255 -16.230 1.00 15.12 H new ATOM 0 HB VAL A 49 -4.608 -25.614 -16.582 1.00 64.35 H new ATOM 0 HG11 VAL A 49 -2.811 -24.804 -15.036 1.00 74.11 H new ATOM 0 HG12 VAL A 49 -3.814 -26.059 -14.271 1.00 74.11 H new ATOM 0 HG13 VAL A 49 -2.200 -26.470 -14.897 1.00 74.11 H new ATOM 0 HG21 VAL A 49 -2.460 -24.778 -17.469 1.00 14.30 H new ATOM 0 HG22 VAL A 49 -1.799 -26.430 -17.411 1.00 14.30 H new ATOM 0 HG23 VAL A 49 -3.154 -26.051 -18.501 1.00 14.30 H new ATOM 808 N GLU A 50 -4.794 -28.735 -14.363 1.00 62.15 N ATOM 809 CA GLU A 50 -5.661 -29.052 -13.236 1.00 3.04 C ATOM 810 C GLU A 50 -5.152 -28.263 -12.034 1.00 53.02 C ATOM 811 O GLU A 50 -3.944 -28.184 -11.824 1.00 4.41 O ATOM 812 CB GLU A 50 -5.648 -30.560 -12.955 1.00 33.32 C ATOM 813 CG GLU A 50 -5.910 -31.428 -14.194 1.00 60.12 C ATOM 814 CD GLU A 50 -7.224 -31.076 -14.887 1.00 14.44 C ATOM 815 OE1 GLU A 50 -8.280 -31.340 -14.271 1.00 51.21 O ATOM 816 OE2 GLU A 50 -7.151 -30.556 -16.022 1.00 12.11 O ATOM 0 H GLU A 50 -3.862 -29.142 -14.281 1.00 62.15 H new ATOM 0 HA GLU A 50 -6.693 -28.779 -13.454 1.00 3.04 H new ATOM 0 HB2 GLU A 50 -4.681 -30.832 -12.531 1.00 33.32 H new ATOM 0 HB3 GLU A 50 -6.402 -30.785 -12.200 1.00 33.32 H new ATOM 0 HG2 GLU A 50 -5.087 -31.307 -14.899 1.00 60.12 H new ATOM 0 HG3 GLU A 50 -5.927 -32.478 -13.901 1.00 60.12 H new ATOM 823 N HIS A 51 -6.061 -27.645 -11.273 1.00 35.15 N ATOM 824 CA HIS A 51 -5.704 -26.705 -10.220 1.00 33.43 C ATOM 825 C HIS A 51 -6.776 -26.668 -9.133 1.00 73.51 C ATOM 826 O HIS A 51 -7.901 -27.120 -9.342 1.00 2.44 O ATOM 827 CB HIS A 51 -5.486 -25.316 -10.831 1.00 72.23 C ATOM 828 CG HIS A 51 -6.697 -24.795 -11.561 1.00 12.42 C ATOM 829 ND1 HIS A 51 -7.744 -24.158 -10.912 1.00 21.12 N ATOM 830 CD2 HIS A 51 -7.074 -24.864 -12.880 1.00 23.12 C ATOM 831 CE1 HIS A 51 -8.673 -23.874 -11.842 1.00 35.34 C ATOM 832 NE2 HIS A 51 -8.324 -24.280 -13.065 1.00 4.33 N ATOM 0 H HIS A 51 -7.066 -27.787 -11.375 1.00 35.15 H new ATOM 0 HA HIS A 51 -4.778 -27.033 -9.748 1.00 33.43 H new ATOM 0 HB2 HIS A 51 -5.217 -24.616 -10.040 1.00 72.23 H new ATOM 0 HB3 HIS A 51 -4.643 -25.357 -11.521 1.00 72.23 H new ATOM 0 HD1 HIS A 51 -7.799 -23.945 -9.916 1.00 21.12 H new ATOM 0 HD2 HIS A 51 -6.482 -25.310 -13.666 1.00 23.12 H new ATOM 0 HE1 HIS A 51 -9.603 -23.371 -11.623 1.00 35.34 H new ATOM 840 N SER A 52 -6.407 -26.114 -7.972 1.00 52.41 N ATOM 841 CA SER A 52 -7.286 -25.959 -6.824 1.00 4.24 C ATOM 842 C SER A 52 -8.039 -24.629 -6.928 1.00 54.45 C ATOM 843 O SER A 52 -7.906 -23.899 -7.910 1.00 41.12 O ATOM 844 CB SER A 52 -6.434 -26.035 -5.550 1.00 72.41 C ATOM 845 OG SER A 52 -7.238 -26.123 -4.393 1.00 4.43 O ATOM 0 H SER A 52 -5.466 -25.755 -7.809 1.00 52.41 H new ATOM 0 HA SER A 52 -8.032 -26.754 -6.794 1.00 4.24 H new ATOM 0 HB2 SER A 52 -5.775 -26.902 -5.603 1.00 72.41 H new ATOM 0 HB3 SER A 52 -5.796 -25.153 -5.485 1.00 72.41 H new ATOM 0 HG SER A 52 -6.665 -26.171 -3.599 1.00 4.43 H new ATOM 851 N ASP A 53 -8.815 -24.308 -5.889 1.00 12.00 N ATOM 852 CA ASP A 53 -9.435 -23.004 -5.715 1.00 64.44 C ATOM 853 C ASP A 53 -8.394 -21.996 -5.225 1.00 0.01 C ATOM 854 O ASP A 53 -7.267 -22.366 -4.894 1.00 35.43 O ATOM 855 CB ASP A 53 -10.599 -23.122 -4.721 1.00 1.31 C ATOM 856 CG ASP A 53 -10.118 -23.467 -3.312 1.00 42.31 C ATOM 857 OD1 ASP A 53 -9.998 -22.524 -2.500 1.00 40.14 O ATOM 858 OD2 ASP A 53 -9.865 -24.668 -3.075 1.00 3.41 O ATOM 0 H ASP A 53 -9.030 -24.962 -5.136 1.00 12.00 H new ATOM 0 HA ASP A 53 -9.827 -22.650 -6.669 1.00 64.44 H new ATOM 0 HB2 ASP A 53 -11.150 -22.182 -4.696 1.00 1.31 H new ATOM 0 HB3 ASP A 53 -11.293 -23.889 -5.065 1.00 1.31 H new ATOM 863 N LEU A 54 -8.792 -20.721 -5.155 1.00 43.23 N ATOM 864 CA LEU A 54 -7.988 -19.661 -4.572 1.00 72.11 C ATOM 865 C LEU A 54 -8.034 -19.809 -3.048 1.00 14.03 C ATOM 866 O LEU A 54 -8.848 -19.181 -2.374 1.00 42.32 O ATOM 867 CB LEU A 54 -8.519 -18.306 -5.059 1.00 22.52 C ATOM 868 CG LEU A 54 -7.601 -17.144 -4.654 1.00 42.13 C ATOM 869 CD1 LEU A 54 -6.343 -17.085 -5.530 1.00 3.41 C ATOM 870 CD2 LEU A 54 -8.365 -15.822 -4.793 1.00 2.44 C ATOM 0 H LEU A 54 -9.694 -20.401 -5.508 1.00 43.23 H new ATOM 0 HA LEU A 54 -6.945 -19.724 -4.882 1.00 72.11 H new ATOM 0 HB2 LEU A 54 -8.620 -18.326 -6.144 1.00 22.52 H new ATOM 0 HB3 LEU A 54 -9.515 -18.140 -4.649 1.00 22.52 H new ATOM 0 HG LEU A 54 -7.293 -17.305 -3.621 1.00 42.13 H new ATOM 0 HD11 LEU A 54 -5.718 -16.250 -5.213 1.00 3.41 H new ATOM 0 HD12 LEU A 54 -5.785 -18.015 -5.428 1.00 3.41 H new ATOM 0 HD13 LEU A 54 -6.631 -16.948 -6.572 1.00 3.41 H new ATOM 0 HD21 LEU A 54 -7.716 -14.995 -4.506 1.00 2.44 H new ATOM 0 HD22 LEU A 54 -8.682 -15.692 -5.828 1.00 2.44 H new ATOM 0 HD23 LEU A 54 -9.241 -15.838 -4.144 1.00 2.44 H new ATOM 882 N SER A 55 -7.167 -20.678 -2.519 1.00 0.31 N ATOM 883 CA SER A 55 -7.177 -21.098 -1.127 1.00 43.25 C ATOM 884 C SER A 55 -6.399 -20.092 -0.283 1.00 72.45 C ATOM 885 O SER A 55 -5.283 -19.720 -0.640 1.00 2.20 O ATOM 886 CB SER A 55 -6.582 -22.505 -1.005 1.00 0.50 C ATOM 887 OG SER A 55 -7.199 -23.390 -1.915 1.00 25.14 O ATOM 0 H SER A 55 -6.424 -21.115 -3.065 1.00 0.31 H new ATOM 0 HA SER A 55 -8.202 -21.132 -0.759 1.00 43.25 H new ATOM 0 HB2 SER A 55 -5.509 -22.469 -1.196 1.00 0.50 H new ATOM 0 HB3 SER A 55 -6.712 -22.873 0.013 1.00 0.50 H new ATOM 0 HG SER A 55 -6.804 -24.282 -1.822 1.00 25.14 H new ATOM 893 N PHE A 56 -7.000 -19.643 0.823 1.00 13.10 N ATOM 894 CA PHE A 56 -6.480 -18.580 1.670 1.00 51.34 C ATOM 895 C PHE A 56 -5.682 -19.193 2.820 1.00 42.11 C ATOM 896 O PHE A 56 -6.236 -19.971 3.595 1.00 52.14 O ATOM 897 CB PHE A 56 -7.661 -17.747 2.185 1.00 21.24 C ATOM 898 CG PHE A 56 -8.588 -17.276 1.080 1.00 5.32 C ATOM 899 CD1 PHE A 56 -9.822 -17.923 0.874 1.00 23.23 C ATOM 900 CD2 PHE A 56 -8.149 -16.306 0.161 1.00 53.52 C ATOM 901 CE1 PHE A 56 -10.620 -17.589 -0.233 1.00 62.51 C ATOM 902 CE2 PHE A 56 -8.950 -15.972 -0.946 1.00 65.24 C ATOM 903 CZ PHE A 56 -10.184 -16.613 -1.144 1.00 73.13 C ATOM 0 H PHE A 56 -7.885 -20.023 1.158 1.00 13.10 H new ATOM 0 HA PHE A 56 -5.810 -17.928 1.109 1.00 51.34 H new ATOM 0 HB2 PHE A 56 -8.231 -18.340 2.900 1.00 21.24 H new ATOM 0 HB3 PHE A 56 -7.278 -16.880 2.723 1.00 21.24 H new ATOM 0 HD1 PHE A 56 -10.156 -18.679 1.570 1.00 23.23 H new ATOM 0 HD2 PHE A 56 -7.197 -15.817 0.305 1.00 53.52 H new ATOM 0 HE1 PHE A 56 -11.569 -18.083 -0.383 1.00 62.51 H new ATOM 0 HE2 PHE A 56 -8.615 -15.221 -1.646 1.00 65.24 H new ATOM 0 HZ PHE A 56 -10.797 -16.356 -1.995 1.00 73.13 H new ATOM 913 N SER A 57 -4.387 -18.860 2.921 1.00 41.04 N ATOM 914 CA SER A 57 -3.470 -19.425 3.906 1.00 44.31 C ATOM 915 C SER A 57 -4.004 -19.218 5.325 1.00 41.03 C ATOM 916 O SER A 57 -4.403 -20.173 5.990 1.00 53.54 O ATOM 917 CB SER A 57 -2.078 -18.800 3.737 1.00 4.22 C ATOM 918 OG SER A 57 -1.568 -19.072 2.450 1.00 0.25 O ATOM 0 H SER A 57 -3.945 -18.177 2.306 1.00 41.04 H new ATOM 0 HA SER A 57 -3.388 -20.499 3.741 1.00 44.31 H new ATOM 0 HB2 SER A 57 -2.135 -17.723 3.892 1.00 4.22 H new ATOM 0 HB3 SER A 57 -1.401 -19.195 4.494 1.00 4.22 H new ATOM 0 HG SER A 57 -1.929 -18.422 1.811 1.00 0.25 H new ATOM 965 N SER A 61 -2.871 -13.837 1.642 1.00 31.21 N ATOM 966 CA SER A 61 -1.913 -14.697 0.950 1.00 73.12 C ATOM 967 C SER A 61 -2.574 -15.973 0.421 1.00 41.23 C ATOM 968 O SER A 61 -3.175 -16.725 1.187 1.00 74.22 O ATOM 969 CB SER A 61 -0.743 -15.027 1.880 1.00 74.14 C ATOM 970 OG SER A 61 -0.058 -13.840 2.218 1.00 13.20 O ATOM 0 HA SER A 61 -1.533 -14.155 0.084 1.00 73.12 H new ATOM 0 HB2 SER A 61 -1.109 -15.517 2.782 1.00 74.14 H new ATOM 0 HB3 SER A 61 -0.063 -15.725 1.392 1.00 74.14 H new ATOM 0 HG SER A 61 -0.686 -13.087 2.213 1.00 13.20 H new ATOM 976 N PHE A 62 -2.474 -16.183 -0.898 1.00 65.12 N ATOM 977 CA PHE A 62 -3.198 -17.213 -1.630 1.00 53.51 C ATOM 978 C PHE A 62 -2.251 -18.361 -1.994 1.00 72.35 C ATOM 979 O PHE A 62 -1.258 -18.120 -2.678 1.00 51.43 O ATOM 980 CB PHE A 62 -3.782 -16.610 -2.917 1.00 32.55 C ATOM 981 CG PHE A 62 -4.322 -15.195 -2.816 1.00 40.43 C ATOM 982 CD1 PHE A 62 -3.488 -14.110 -3.146 1.00 0.52 C ATOM 983 CD2 PHE A 62 -5.667 -14.960 -2.483 1.00 13.50 C ATOM 984 CE1 PHE A 62 -4.012 -12.808 -3.208 1.00 31.12 C ATOM 985 CE2 PHE A 62 -6.188 -13.653 -2.531 1.00 51.25 C ATOM 986 CZ PHE A 62 -5.363 -12.579 -2.906 1.00 1.14 C ATOM 0 H PHE A 62 -1.868 -15.621 -1.496 1.00 65.12 H new ATOM 0 HA PHE A 62 -4.003 -17.597 -1.003 1.00 53.51 H new ATOM 0 HB2 PHE A 62 -3.007 -16.626 -3.684 1.00 32.55 H new ATOM 0 HB3 PHE A 62 -4.587 -17.259 -3.263 1.00 32.55 H new ATOM 0 HD1 PHE A 62 -2.441 -14.279 -3.352 1.00 0.52 H new ATOM 0 HD2 PHE A 62 -6.302 -15.783 -2.190 1.00 13.50 H new ATOM 0 HE1 PHE A 62 -3.374 -11.983 -3.488 1.00 31.12 H new ATOM 0 HE2 PHE A 62 -7.223 -13.476 -2.279 1.00 51.25 H new ATOM 0 HZ PHE A 62 -5.768 -11.579 -2.962 1.00 1.14 H new ATOM 996 N TYR A 63 -2.544 -19.595 -1.555 1.00 62.14 N ATOM 997 CA TYR A 63 -1.747 -20.774 -1.886 1.00 14.31 C ATOM 998 C TYR A 63 -2.452 -21.658 -2.919 1.00 72.14 C ATOM 999 O TYR A 63 -3.293 -22.488 -2.580 1.00 15.41 O ATOM 1000 CB TYR A 63 -1.327 -21.535 -0.621 1.00 33.14 C ATOM 1001 CG TYR A 63 -2.398 -22.316 0.123 1.00 45.24 C ATOM 1002 CD1 TYR A 63 -2.475 -23.716 -0.020 1.00 1.23 C ATOM 1003 CD2 TYR A 63 -3.321 -21.652 0.949 1.00 31.31 C ATOM 1004 CE1 TYR A 63 -3.467 -24.445 0.657 1.00 71.41 C ATOM 1005 CE2 TYR A 63 -4.308 -22.383 1.633 1.00 65.33 C ATOM 1006 CZ TYR A 63 -4.387 -23.776 1.484 1.00 21.41 C ATOM 1007 OH TYR A 63 -5.359 -24.474 2.140 1.00 45.12 O ATOM 0 H TYR A 63 -3.346 -19.798 -0.958 1.00 62.14 H new ATOM 0 HA TYR A 63 -0.825 -20.439 -2.360 1.00 14.31 H new ATOM 0 HB2 TYR A 63 -0.535 -22.231 -0.896 1.00 33.14 H new ATOM 0 HB3 TYR A 63 -0.893 -20.816 0.074 1.00 33.14 H new ATOM 0 HD1 TYR A 63 -1.768 -24.231 -0.653 1.00 1.23 H new ATOM 0 HD2 TYR A 63 -3.272 -20.579 1.058 1.00 31.31 H new ATOM 0 HE1 TYR A 63 -3.523 -25.517 0.543 1.00 71.41 H new ATOM 0 HE2 TYR A 63 -5.008 -21.870 2.276 1.00 65.33 H new ATOM 0 HH TYR A 63 -5.906 -23.856 2.668 1.00 45.12 H new ATOM 1017 N LEU A 64 -2.099 -21.476 -4.193 1.00 72.53 N ATOM 1018 CA LEU A 64 -2.640 -22.251 -5.312 1.00 71.15 C ATOM 1019 C LEU A 64 -1.596 -23.284 -5.742 1.00 11.31 C ATOM 1020 O LEU A 64 -0.429 -23.158 -5.377 1.00 12.02 O ATOM 1021 CB LEU A 64 -3.003 -21.301 -6.470 1.00 23.34 C ATOM 1022 CG LEU A 64 -4.448 -21.476 -6.980 1.00 4.32 C ATOM 1023 CD1 LEU A 64 -4.850 -20.276 -7.843 1.00 34.34 C ATOM 1024 CD2 LEU A 64 -4.636 -22.762 -7.790 1.00 13.33 C ATOM 0 H LEU A 64 -1.418 -20.774 -4.481 1.00 72.53 H new ATOM 0 HA LEU A 64 -3.548 -22.775 -5.013 1.00 71.15 H new ATOM 0 HB2 LEU A 64 -2.864 -20.271 -6.141 1.00 23.34 H new ATOM 0 HB3 LEU A 64 -2.312 -21.468 -7.296 1.00 23.34 H new ATOM 0 HG LEU A 64 -5.086 -21.542 -6.099 1.00 4.32 H new ATOM 0 HD11 LEU A 64 -5.872 -20.409 -8.198 1.00 34.34 H new ATOM 0 HD12 LEU A 64 -4.788 -19.364 -7.249 1.00 34.34 H new ATOM 0 HD13 LEU A 64 -4.176 -20.200 -8.696 1.00 34.34 H new ATOM 0 HD21 LEU A 64 -5.671 -22.834 -8.124 1.00 13.33 H new ATOM 0 HD22 LEU A 64 -3.976 -22.746 -8.657 1.00 13.33 H new ATOM 0 HD23 LEU A 64 -4.395 -23.623 -7.167 1.00 13.33 H new ATOM 1036 N LEU A 65 -1.996 -24.280 -6.541 1.00 41.32 N ATOM 1037 CA LEU A 65 -1.080 -25.186 -7.219 1.00 54.44 C ATOM 1038 C LEU A 65 -1.651 -25.629 -8.568 1.00 14.11 C ATOM 1039 O LEU A 65 -2.858 -25.542 -8.792 1.00 40.03 O ATOM 1040 CB LEU A 65 -0.622 -26.327 -6.299 1.00 31.12 C ATOM 1041 CG LEU A 65 -1.548 -27.543 -6.268 1.00 24.40 C ATOM 1042 CD1 LEU A 65 -0.916 -28.642 -5.409 1.00 54.22 C ATOM 1043 CD2 LEU A 65 -2.938 -27.216 -5.716 1.00 0.13 C ATOM 0 H LEU A 65 -2.978 -24.476 -6.733 1.00 41.32 H new ATOM 0 HA LEU A 65 -0.161 -24.651 -7.458 1.00 54.44 H new ATOM 0 HB2 LEU A 65 0.369 -26.652 -6.614 1.00 31.12 H new ATOM 0 HB3 LEU A 65 -0.523 -25.939 -5.285 1.00 31.12 H new ATOM 0 HG LEU A 65 -1.674 -27.876 -7.298 1.00 24.40 H new ATOM 0 HD11 LEU A 65 -1.575 -29.510 -5.386 1.00 54.22 H new ATOM 0 HD12 LEU A 65 0.046 -28.928 -5.834 1.00 54.22 H new ATOM 0 HD13 LEU A 65 -0.768 -28.271 -4.395 1.00 54.22 H new ATOM 0 HD21 LEU A 65 -3.551 -28.117 -5.718 1.00 0.13 H new ATOM 0 HD22 LEU A 65 -2.846 -26.842 -4.696 1.00 0.13 H new ATOM 0 HD23 LEU A 65 -3.408 -26.456 -6.340 1.00 0.13 H new ATOM 1055 N TYR A 66 -0.762 -26.054 -9.476 1.00 40.55 N ATOM 1056 CA TYR A 66 -1.079 -26.357 -10.866 1.00 53.43 C ATOM 1057 C TYR A 66 -0.433 -27.691 -11.244 1.00 34.43 C ATOM 1058 O TYR A 66 0.769 -27.753 -11.506 1.00 72.32 O ATOM 1059 CB TYR A 66 -0.610 -25.206 -11.763 1.00 65.12 C ATOM 1060 CG TYR A 66 -1.340 -23.898 -11.514 1.00 15.31 C ATOM 1061 CD1 TYR A 66 -2.514 -23.610 -12.228 1.00 64.32 C ATOM 1062 CD2 TYR A 66 -0.880 -22.991 -10.541 1.00 75.21 C ATOM 1063 CE1 TYR A 66 -3.173 -22.384 -12.054 1.00 24.50 C ATOM 1064 CE2 TYR A 66 -1.562 -21.777 -10.339 1.00 45.04 C ATOM 1065 CZ TYR A 66 -2.675 -21.450 -11.130 1.00 72.31 C ATOM 1066 OH TYR A 66 -3.266 -20.228 -11.005 1.00 31.41 O ATOM 0 H TYR A 66 0.222 -26.198 -9.251 1.00 40.55 H new ATOM 0 HA TYR A 66 -2.156 -26.456 -11.004 1.00 53.43 H new ATOM 0 HB2 TYR A 66 0.458 -25.050 -11.610 1.00 65.12 H new ATOM 0 HB3 TYR A 66 -0.744 -25.493 -12.806 1.00 65.12 H new ATOM 0 HD1 TYR A 66 -2.913 -24.339 -12.918 1.00 64.32 H new ATOM 0 HD2 TYR A 66 -0.006 -23.226 -9.951 1.00 75.21 H new ATOM 0 HE1 TYR A 66 -4.060 -22.159 -12.628 1.00 24.50 H new ATOM 0 HE2 TYR A 66 -1.228 -21.094 -9.572 1.00 45.04 H new ATOM 0 HH TYR A 66 -2.797 -19.706 -10.321 1.00 31.41 H new ATOM 1076 N TYR A 67 -1.244 -28.756 -11.213 1.00 60.23 N ATOM 1077 CA TYR A 67 -0.802 -30.142 -11.216 1.00 23.42 C ATOM 1078 C TYR A 67 -1.161 -30.854 -12.523 1.00 4.43 C ATOM 1079 O TYR A 67 -2.241 -31.423 -12.652 1.00 23.40 O ATOM 1080 CB TYR A 67 -1.363 -30.863 -9.975 1.00 12.44 C ATOM 1081 CG TYR A 67 -2.870 -30.856 -9.767 1.00 12.50 C ATOM 1082 CD1 TYR A 67 -3.624 -32.011 -10.052 1.00 35.30 C ATOM 1083 CD2 TYR A 67 -3.491 -29.768 -9.126 1.00 73.42 C ATOM 1084 CE1 TYR A 67 -5.003 -32.041 -9.784 1.00 71.13 C ATOM 1085 CE2 TYR A 67 -4.863 -29.812 -8.823 1.00 31.20 C ATOM 1086 CZ TYR A 67 -5.626 -30.936 -9.179 1.00 32.53 C ATOM 1087 OH TYR A 67 -6.968 -30.961 -8.932 1.00 54.35 O ATOM 0 H TYR A 67 -2.260 -28.665 -11.184 1.00 60.23 H new ATOM 0 HA TYR A 67 0.286 -30.166 -11.160 1.00 23.42 H new ATOM 0 HB2 TYR A 67 -1.036 -31.902 -10.016 1.00 12.44 H new ATOM 0 HB3 TYR A 67 -0.902 -30.418 -9.093 1.00 12.44 H new ATOM 0 HD1 TYR A 67 -3.140 -32.877 -10.478 1.00 35.30 H new ATOM 0 HD2 TYR A 67 -2.911 -28.895 -8.866 1.00 73.42 H new ATOM 0 HE1 TYR A 67 -5.584 -32.914 -10.043 1.00 71.13 H new ATOM 0 HE2 TYR A 67 -5.331 -28.981 -8.316 1.00 31.20 H new ATOM 0 HH TYR A 67 -7.239 -30.119 -8.509 1.00 54.35 H new ATOM 1097 N THR A 68 -0.233 -30.860 -13.486 1.00 73.21 N ATOM 1098 CA THR A 68 -0.377 -31.631 -14.716 1.00 51.22 C ATOM 1099 C THR A 68 0.047 -33.081 -14.479 1.00 72.24 C ATOM 1100 O THR A 68 0.993 -33.327 -13.733 1.00 11.00 O ATOM 1101 CB THR A 68 0.433 -30.992 -15.853 1.00 32.35 C ATOM 1102 OG1 THR A 68 0.190 -31.709 -17.043 1.00 13.21 O ATOM 1103 CG2 THR A 68 1.946 -30.959 -15.593 1.00 75.21 C ATOM 0 H THR A 68 0.637 -30.330 -13.431 1.00 73.21 H new ATOM 0 HA THR A 68 -1.425 -31.627 -15.015 1.00 51.22 H new ATOM 0 HB THR A 68 0.105 -29.955 -15.929 1.00 32.35 H new ATOM 0 HG1 THR A 68 0.996 -32.206 -17.296 1.00 13.21 H new ATOM 0 HG21 THR A 68 2.451 -30.494 -16.440 1.00 75.21 H new ATOM 0 HG22 THR A 68 2.147 -30.384 -14.689 1.00 75.21 H new ATOM 0 HG23 THR A 68 2.315 -31.976 -15.465 1.00 75.21 H new ATOM 1111 N GLU A 69 -0.632 -34.028 -15.141 1.00 62.22 N ATOM 1112 CA GLU A 69 -0.227 -35.425 -15.178 1.00 60.22 C ATOM 1113 C GLU A 69 0.725 -35.595 -16.358 1.00 22.44 C ATOM 1114 O GLU A 69 0.288 -35.840 -17.482 1.00 43.04 O ATOM 1115 CB GLU A 69 -1.459 -36.336 -15.281 1.00 60.42 C ATOM 1116 CG GLU A 69 -1.125 -37.800 -14.953 1.00 3.11 C ATOM 1117 CD GLU A 69 -0.269 -38.479 -16.021 1.00 53.21 C ATOM 1118 OE1 GLU A 69 -0.858 -38.889 -17.044 1.00 43.32 O ATOM 1119 OE2 GLU A 69 0.958 -38.576 -15.797 1.00 2.14 O ATOM 0 H GLU A 69 -1.484 -33.836 -15.668 1.00 62.22 H new ATOM 0 HA GLU A 69 0.287 -35.713 -14.261 1.00 60.22 H new ATOM 0 HB2 GLU A 69 -2.231 -35.979 -14.599 1.00 60.42 H new ATOM 0 HB3 GLU A 69 -1.871 -36.276 -16.288 1.00 60.42 H new ATOM 0 HG2 GLU A 69 -0.601 -37.841 -13.998 1.00 3.11 H new ATOM 0 HG3 GLU A 69 -2.053 -38.359 -14.832 1.00 3.11 H new ATOM 1126 N PHE A 70 2.027 -35.441 -16.097 1.00 21.24 N ATOM 1127 CA PHE A 70 3.065 -35.548 -17.107 1.00 34.41 C ATOM 1128 C PHE A 70 3.681 -36.949 -17.089 1.00 61.31 C ATOM 1129 O PHE A 70 3.781 -37.563 -16.029 1.00 61.35 O ATOM 1130 CB PHE A 70 4.114 -34.459 -16.878 1.00 12.30 C ATOM 1131 CG PHE A 70 4.981 -34.613 -15.641 1.00 35.52 C ATOM 1132 CD1 PHE A 70 4.608 -34.001 -14.432 1.00 40.25 C ATOM 1133 CD2 PHE A 70 6.195 -35.320 -15.716 1.00 65.25 C ATOM 1134 CE1 PHE A 70 5.453 -34.080 -13.313 1.00 34.22 C ATOM 1135 CE2 PHE A 70 7.045 -35.387 -14.600 1.00 44.23 C ATOM 1136 CZ PHE A 70 6.674 -34.761 -13.401 1.00 54.01 C ATOM 0 H PHE A 70 2.386 -35.236 -15.164 1.00 21.24 H new ATOM 0 HA PHE A 70 2.633 -35.398 -18.097 1.00 34.41 H new ATOM 0 HB2 PHE A 70 4.766 -34.422 -17.751 1.00 12.30 H new ATOM 0 HB3 PHE A 70 3.603 -33.498 -16.821 1.00 12.30 H new ATOM 0 HD1 PHE A 70 3.670 -33.469 -14.363 1.00 40.25 H new ATOM 0 HD2 PHE A 70 6.474 -35.813 -16.635 1.00 65.25 H new ATOM 0 HE1 PHE A 70 5.161 -33.615 -12.383 1.00 34.22 H new ATOM 0 HE2 PHE A 70 7.982 -35.919 -14.665 1.00 44.23 H new ATOM 0 HZ PHE A 70 7.330 -34.804 -12.545 1.00 54.01 H new ATOM 1146 N THR A 71 4.092 -37.447 -18.263 1.00 20.24 N ATOM 1147 CA THR A 71 4.698 -38.764 -18.422 1.00 0.33 C ATOM 1148 C THR A 71 6.213 -38.616 -18.646 1.00 74.41 C ATOM 1149 O THR A 71 6.629 -38.409 -19.785 1.00 64.42 O ATOM 1150 CB THR A 71 4.024 -39.494 -19.597 1.00 32.50 C ATOM 1151 OG1 THR A 71 2.620 -39.477 -19.426 1.00 54.13 O ATOM 1152 CG2 THR A 71 4.485 -40.954 -19.678 1.00 13.22 C ATOM 0 H THR A 71 4.009 -36.933 -19.140 1.00 20.24 H new ATOM 0 HA THR A 71 4.550 -39.356 -17.519 1.00 0.33 H new ATOM 0 HB THR A 71 4.305 -38.979 -20.516 1.00 32.50 H new ATOM 0 HG1 THR A 71 2.193 -39.941 -20.176 1.00 54.13 H new ATOM 0 HG21 THR A 71 3.993 -41.445 -20.517 1.00 13.22 H new ATOM 0 HG22 THR A 71 5.565 -40.987 -19.821 1.00 13.22 H new ATOM 0 HG23 THR A 71 4.226 -41.469 -18.753 1.00 13.22 H new ATOM 1160 N PRO A 72 7.053 -38.730 -17.602 1.00 12.33 N ATOM 1161 CA PRO A 72 8.500 -38.703 -17.732 1.00 15.22 C ATOM 1162 C PRO A 72 8.982 -40.024 -18.332 1.00 73.22 C ATOM 1163 O PRO A 72 8.962 -41.048 -17.653 1.00 33.51 O ATOM 1164 CB PRO A 72 9.029 -38.498 -16.309 1.00 13.52 C ATOM 1165 CG PRO A 72 7.965 -39.155 -15.430 1.00 34.40 C ATOM 1166 CD PRO A 72 6.673 -38.917 -16.213 1.00 63.33 C ATOM 0 HA PRO A 72 8.854 -37.912 -18.393 1.00 15.22 H new ATOM 0 HB2 PRO A 72 10.005 -38.965 -16.173 1.00 13.52 H new ATOM 0 HB3 PRO A 72 9.146 -37.440 -16.074 1.00 13.52 H new ATOM 0 HG2 PRO A 72 8.160 -40.218 -15.287 1.00 34.40 H new ATOM 0 HG3 PRO A 72 7.925 -38.703 -14.439 1.00 34.40 H new ATOM 0 HD2 PRO A 72 5.996 -39.765 -16.108 1.00 63.33 H new ATOM 0 HD3 PRO A 72 6.147 -38.040 -15.835 1.00 63.33 H new ATOM 1174 N THR A 73 9.424 -40.003 -19.597 1.00 53.55 N ATOM 1175 CA THR A 73 10.048 -41.159 -20.227 1.00 63.44 C ATOM 1176 C THR A 73 11.459 -41.308 -19.660 1.00 53.43 C ATOM 1177 O THR A 73 11.744 -42.302 -18.995 1.00 52.42 O ATOM 1178 CB THR A 73 10.020 -41.064 -21.764 1.00 52.32 C ATOM 1179 OG1 THR A 73 10.691 -39.919 -22.247 1.00 22.55 O ATOM 1180 CG2 THR A 73 8.583 -41.045 -22.295 1.00 23.43 C ATOM 0 H THR A 73 9.357 -39.186 -20.204 1.00 53.55 H new ATOM 0 HA THR A 73 9.480 -42.060 -19.996 1.00 63.44 H new ATOM 0 HB THR A 73 10.539 -41.952 -22.125 1.00 52.32 H new ATOM 0 HG1 THR A 73 10.538 -39.168 -21.636 1.00 22.55 H new ATOM 0 HG21 THR A 73 8.598 -40.977 -23.383 1.00 23.43 H new ATOM 0 HG22 THR A 73 8.072 -41.960 -21.995 1.00 23.43 H new ATOM 0 HG23 THR A 73 8.055 -40.184 -21.885 1.00 23.43 H new ATOM 1188 N GLU A 74 12.316 -40.302 -19.882 1.00 2.14 N ATOM 1189 CA GLU A 74 13.635 -40.215 -19.277 1.00 12.12 C ATOM 1190 C GLU A 74 14.184 -38.796 -19.417 1.00 1.51 C ATOM 1191 O GLU A 74 14.196 -38.045 -18.442 1.00 64.25 O ATOM 1192 CB GLU A 74 14.582 -41.280 -19.864 1.00 75.13 C ATOM 1193 CG GLU A 74 15.970 -41.211 -19.214 1.00 22.14 C ATOM 1194 CD GLU A 74 16.824 -42.417 -19.593 1.00 55.52 C ATOM 1195 OE1 GLU A 74 17.006 -43.285 -18.712 1.00 4.11 O ATOM 1196 OE2 GLU A 74 17.278 -42.452 -20.758 1.00 20.24 O ATOM 0 H GLU A 74 12.101 -39.518 -20.498 1.00 2.14 H new ATOM 0 HA GLU A 74 13.555 -40.428 -18.211 1.00 12.12 H new ATOM 0 HB2 GLU A 74 14.156 -42.272 -19.712 1.00 75.13 H new ATOM 0 HB3 GLU A 74 14.674 -41.134 -20.940 1.00 75.13 H new ATOM 0 HG2 GLU A 74 16.473 -40.295 -19.524 1.00 22.14 H new ATOM 0 HG3 GLU A 74 15.864 -41.165 -18.130 1.00 22.14 H new ATOM 1203 N LYS A 75 14.669 -38.442 -20.614 1.00 63.41 N ATOM 1204 CA LYS A 75 15.495 -37.261 -20.831 1.00 14.10 C ATOM 1205 C LYS A 75 14.641 -36.047 -21.214 1.00 31.43 C ATOM 1206 O LYS A 75 14.947 -35.339 -22.172 1.00 60.11 O ATOM 1207 CB LYS A 75 16.549 -37.605 -21.892 1.00 1.43 C ATOM 1208 CG LYS A 75 17.753 -36.660 -21.822 1.00 33.22 C ATOM 1209 CD LYS A 75 18.702 -36.967 -22.981 1.00 40.12 C ATOM 1210 CE LYS A 75 19.967 -36.115 -22.868 1.00 71.33 C ATOM 1211 NZ LYS A 75 20.856 -36.335 -24.019 1.00 3.32 N ATOM 0 H LYS A 75 14.494 -38.977 -21.464 1.00 63.41 H new ATOM 0 HA LYS A 75 16.003 -36.979 -19.909 1.00 14.10 H new ATOM 0 HB2 LYS A 75 16.884 -38.633 -21.752 1.00 1.43 H new ATOM 0 HB3 LYS A 75 16.099 -37.549 -22.883 1.00 1.43 H new ATOM 0 HG2 LYS A 75 17.420 -35.623 -21.874 1.00 33.22 H new ATOM 0 HG3 LYS A 75 18.271 -36.781 -20.871 1.00 33.22 H new ATOM 0 HD2 LYS A 75 18.965 -38.025 -22.974 1.00 40.12 H new ATOM 0 HD3 LYS A 75 18.205 -36.768 -23.930 1.00 40.12 H new ATOM 0 HE2 LYS A 75 19.696 -35.061 -22.810 1.00 71.33 H new ATOM 0 HE3 LYS A 75 20.493 -36.360 -21.945 1.00 71.33 H new ATOM 0 HZ1 LYS A 75 21.707 -35.745 -23.918 1.00 3.32 H new ATOM 0 HZ2 LYS A 75 21.132 -37.337 -24.058 1.00 3.32 H new ATOM 0 HZ3 LYS A 75 20.359 -36.078 -24.896 1.00 3.32 H new ATOM 1225 N ASP A 76 13.567 -35.810 -20.453 1.00 33.43 N ATOM 1226 CA ASP A 76 12.619 -34.731 -20.693 1.00 4.34 C ATOM 1227 C ASP A 76 12.931 -33.533 -19.794 1.00 44.21 C ATOM 1228 O ASP A 76 13.854 -33.585 -18.980 1.00 5.21 O ATOM 1229 CB ASP A 76 11.204 -35.254 -20.426 1.00 64.52 C ATOM 1230 CG ASP A 76 10.902 -36.529 -21.209 1.00 54.41 C ATOM 1231 OD1 ASP A 76 11.054 -36.487 -22.448 1.00 53.34 O ATOM 1232 OD2 ASP A 76 10.537 -37.525 -20.549 1.00 35.44 O ATOM 0 H ASP A 76 13.333 -36.377 -19.638 1.00 33.43 H new ATOM 0 HA ASP A 76 12.696 -34.397 -21.728 1.00 4.34 H new ATOM 0 HB2 ASP A 76 11.086 -35.448 -19.360 1.00 64.52 H new ATOM 0 HB3 ASP A 76 10.478 -34.486 -20.693 1.00 64.52 H new ATOM 1237 N GLU A 77 12.136 -32.461 -19.923 1.00 4.34 N ATOM 1238 CA GLU A 77 12.158 -31.331 -19.006 1.00 1.20 C ATOM 1239 C GLU A 77 10.731 -30.817 -18.809 1.00 33.25 C ATOM 1240 O GLU A 77 10.041 -30.502 -19.776 1.00 14.10 O ATOM 1241 CB GLU A 77 13.161 -30.256 -19.470 1.00 12.14 C ATOM 1242 CG GLU A 77 12.721 -29.379 -20.655 1.00 42.42 C ATOM 1243 CD GLU A 77 11.846 -28.188 -20.249 1.00 23.35 C ATOM 1244 OE1 GLU A 77 12.268 -27.457 -19.326 1.00 33.31 O ATOM 1245 OE2 GLU A 77 10.782 -28.010 -20.882 1.00 52.13 O ATOM 0 H GLU A 77 11.456 -32.361 -20.677 1.00 4.34 H new ATOM 0 HA GLU A 77 12.521 -31.644 -18.027 1.00 1.20 H new ATOM 0 HB2 GLU A 77 13.379 -29.604 -18.624 1.00 12.14 H new ATOM 0 HB3 GLU A 77 14.094 -30.752 -19.739 1.00 12.14 H new ATOM 0 HG2 GLU A 77 13.607 -29.008 -21.170 1.00 42.42 H new ATOM 0 HG3 GLU A 77 12.173 -29.995 -21.368 1.00 42.42 H new ATOM 1252 N TYR A 78 10.282 -30.777 -17.550 1.00 45.13 N ATOM 1253 CA TYR A 78 8.985 -30.252 -17.148 1.00 40.03 C ATOM 1254 C TYR A 78 9.222 -28.909 -16.468 1.00 60.23 C ATOM 1255 O TYR A 78 10.106 -28.813 -15.617 1.00 63.42 O ATOM 1256 CB TYR A 78 8.312 -31.269 -16.218 1.00 52.13 C ATOM 1257 CG TYR A 78 8.083 -32.595 -16.919 1.00 24.31 C ATOM 1258 CD1 TYR A 78 9.058 -33.607 -16.839 1.00 0.42 C ATOM 1259 CD2 TYR A 78 7.059 -32.698 -17.878 1.00 52.04 C ATOM 1260 CE1 TYR A 78 8.997 -34.720 -17.693 1.00 3.11 C ATOM 1261 CE2 TYR A 78 7.044 -33.774 -18.782 1.00 42.02 C ATOM 1262 CZ TYR A 78 8.023 -34.775 -18.703 1.00 71.33 C ATOM 1263 OH TYR A 78 8.025 -35.797 -19.604 1.00 20.41 O ATOM 0 H TYR A 78 10.833 -31.121 -16.763 1.00 45.13 H new ATOM 0 HA TYR A 78 8.320 -30.096 -17.998 1.00 40.03 H new ATOM 0 HB2 TYR A 78 8.934 -31.425 -15.336 1.00 52.13 H new ATOM 0 HB3 TYR A 78 7.359 -30.871 -15.870 1.00 52.13 H new ATOM 0 HD1 TYR A 78 9.857 -33.527 -16.117 1.00 0.42 H new ATOM 0 HD2 TYR A 78 6.283 -31.948 -17.920 1.00 52.04 H new ATOM 0 HE1 TYR A 78 9.698 -35.533 -17.573 1.00 3.11 H new ATOM 0 HE2 TYR A 78 6.276 -33.830 -19.540 1.00 42.02 H new ATOM 0 HH TYR A 78 7.305 -36.426 -19.387 1.00 20.41 H new ATOM 1273 N ALA A 79 8.477 -27.868 -16.864 1.00 64.43 N ATOM 1274 CA ALA A 79 8.745 -26.513 -16.403 1.00 24.22 C ATOM 1275 C ALA A 79 7.468 -25.702 -16.217 1.00 51.31 C ATOM 1276 O ALA A 79 6.640 -25.619 -17.123 1.00 21.31 O ATOM 1277 CB ALA A 79 9.693 -25.808 -17.374 1.00 31.20 C ATOM 0 H ALA A 79 7.686 -27.946 -17.503 1.00 64.43 H new ATOM 0 HA ALA A 79 9.219 -26.587 -15.424 1.00 24.22 H new ATOM 0 HB1 ALA A 79 9.888 -24.795 -17.021 1.00 31.20 H new ATOM 0 HB2 ALA A 79 10.632 -26.359 -17.431 1.00 31.20 H new ATOM 0 HB3 ALA A 79 9.236 -25.766 -18.363 1.00 31.20 H new ATOM 1283 N CYS A 80 7.342 -25.077 -15.040 1.00 63.45 N ATOM 1284 CA CYS A 80 6.226 -24.214 -14.693 1.00 63.43 C ATOM 1285 C CYS A 80 6.521 -22.787 -15.159 1.00 43.41 C ATOM 1286 O CYS A 80 7.560 -22.229 -14.812 1.00 40.12 O ATOM 1287 CB CYS A 80 5.961 -24.303 -13.188 1.00 62.44 C ATOM 1288 SG CYS A 80 4.407 -23.532 -12.683 1.00 41.11 S ATOM 0 H CYS A 80 8.031 -25.164 -14.293 1.00 63.45 H new ATOM 0 HA CYS A 80 5.317 -24.538 -15.200 1.00 63.43 H new ATOM 0 HB2 CYS A 80 5.951 -25.352 -12.890 1.00 62.44 H new ATOM 0 HB3 CYS A 80 6.784 -23.828 -12.654 1.00 62.44 H new ATOM 1293 N ARG A 81 5.621 -22.222 -15.976 1.00 4.21 N ATOM 1294 CA ARG A 81 5.800 -20.952 -16.664 1.00 4.22 C ATOM 1295 C ARG A 81 5.070 -19.884 -15.860 1.00 62.11 C ATOM 1296 O ARG A 81 3.919 -19.558 -16.150 1.00 55.34 O ATOM 1297 CB ARG A 81 5.234 -21.076 -18.085 1.00 32.24 C ATOM 1298 CG ARG A 81 5.523 -19.832 -18.933 1.00 20.35 C ATOM 1299 CD ARG A 81 4.764 -19.897 -20.261 1.00 11.41 C ATOM 1300 NE ARG A 81 4.838 -18.614 -20.974 1.00 14.14 N ATOM 1301 CZ ARG A 81 3.816 -17.951 -21.548 1.00 44.23 C ATOM 1302 NH1 ARG A 81 2.586 -18.479 -21.636 1.00 0.02 N ATOM 1303 NH2 ARG A 81 4.035 -16.728 -22.051 1.00 24.12 N ATOM 0 H ARG A 81 4.721 -22.657 -16.178 1.00 4.21 H new ATOM 0 HA ARG A 81 6.852 -20.679 -16.745 1.00 4.22 H new ATOM 0 HB2 ARG A 81 5.663 -21.952 -18.570 1.00 32.24 H new ATOM 0 HB3 ARG A 81 4.157 -21.236 -18.033 1.00 32.24 H new ATOM 0 HG2 ARG A 81 5.232 -18.936 -18.385 1.00 20.35 H new ATOM 0 HG3 ARG A 81 6.594 -19.755 -19.123 1.00 20.35 H new ATOM 0 HD2 ARG A 81 5.182 -20.688 -20.884 1.00 11.41 H new ATOM 0 HD3 ARG A 81 3.721 -20.154 -20.076 1.00 11.41 H new ATOM 0 HE ARG A 81 5.759 -18.181 -21.041 1.00 14.14 H new ATOM 0 HH11 ARG A 81 2.403 -19.410 -21.262 1.00 0.02 H new ATOM 0 HH12 ARG A 81 1.834 -17.950 -22.077 1.00 0.02 H new ATOM 0 HH21 ARG A 81 4.965 -16.313 -21.996 1.00 24.12 H new ATOM 0 HH22 ARG A 81 3.272 -16.213 -22.489 1.00 24.12 H new ATOM 1317 N VAL A 82 5.728 -19.377 -14.815 1.00 21.35 N ATOM 1318 CA VAL A 82 5.071 -18.549 -13.823 1.00 0.30 C ATOM 1319 C VAL A 82 5.096 -17.095 -14.289 1.00 60.43 C ATOM 1320 O VAL A 82 6.003 -16.339 -13.942 1.00 15.12 O ATOM 1321 CB VAL A 82 5.705 -18.786 -12.441 1.00 0.01 C ATOM 1322 CG1 VAL A 82 4.951 -18.002 -11.361 1.00 45.41 C ATOM 1323 CG2 VAL A 82 5.625 -20.276 -12.082 1.00 31.34 C ATOM 0 H VAL A 82 6.721 -19.531 -14.641 1.00 21.35 H new ATOM 0 HA VAL A 82 4.021 -18.819 -13.714 1.00 0.30 H new ATOM 0 HB VAL A 82 6.742 -18.455 -12.485 1.00 0.01 H new ATOM 0 HG11 VAL A 82 5.414 -18.182 -10.391 1.00 45.41 H new ATOM 0 HG12 VAL A 82 4.991 -16.937 -11.590 1.00 45.41 H new ATOM 0 HG13 VAL A 82 3.911 -18.329 -11.333 1.00 45.41 H new ATOM 0 HG21 VAL A 82 6.075 -20.439 -11.103 1.00 31.34 H new ATOM 0 HG22 VAL A 82 4.581 -20.589 -12.058 1.00 31.34 H new ATOM 0 HG23 VAL A 82 6.162 -20.860 -12.830 1.00 31.34 H new ATOM 1333 N ASN A 83 4.074 -16.718 -15.071 1.00 13.01 N ATOM 1334 CA ASN A 83 3.764 -15.334 -15.383 1.00 41.52 C ATOM 1335 C ASN A 83 2.783 -14.805 -14.334 1.00 72.12 C ATOM 1336 O ASN A 83 1.980 -15.556 -13.784 1.00 32.31 O ATOM 1337 CB ASN A 83 3.171 -15.211 -16.794 1.00 4.01 C ATOM 1338 CG ASN A 83 4.219 -15.311 -17.897 1.00 2.21 C ATOM 1339 OD1 ASN A 83 4.360 -16.351 -18.537 1.00 51.13 O ATOM 1340 ND2 ASN A 83 4.939 -14.215 -18.142 1.00 31.40 N ATOM 0 H ASN A 83 3.436 -17.384 -15.506 1.00 13.01 H new ATOM 0 HA ASN A 83 4.679 -14.741 -15.362 1.00 41.52 H new ATOM 0 HB2 ASN A 83 2.426 -15.994 -16.937 1.00 4.01 H new ATOM 0 HB3 ASN A 83 2.651 -14.257 -16.881 1.00 4.01 H new ATOM 0 HD21 ASN A 83 5.638 -14.220 -18.885 1.00 31.40 H new ATOM 0 HD22 ASN A 83 4.790 -13.372 -17.587 1.00 31.40 H new ATOM 1347 N HIS A 84 2.882 -13.504 -14.053 1.00 0.00 N ATOM 1348 CA HIS A 84 2.071 -12.767 -13.093 1.00 0.00 C ATOM 1349 C HIS A 84 2.057 -11.308 -13.552 1.00 0.00 C ATOM 1350 O HIS A 84 2.812 -10.939 -14.452 1.00 0.00 O ATOM 1351 CB HIS A 84 2.673 -12.940 -11.688 1.00 0.00 C ATOM 1352 CG HIS A 84 1.908 -12.277 -10.566 1.00 0.00 C ATOM 1353 ND1 HIS A 84 2.434 -11.190 -9.868 1.00 0.00 N ATOM 1354 CD2 HIS A 84 0.694 -12.596 -10.018 1.00 0.00 C ATOM 1355 CE1 HIS A 84 1.528 -10.909 -8.927 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.459 -11.717 -8.982 1.00 0.00 N ATOM 0 H HIS A 84 3.568 -12.908 -14.516 1.00 0.00 H new ATOM 0 HA HIS A 84 1.046 -13.133 -13.043 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.748 -14.006 -11.473 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.688 -12.544 -11.696 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.039 -13.392 -10.339 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.644 -10.118 -8.201 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.363 -11.687 -8.379 1.00 0.00 H new ATOM 1364 N VAL A 85 1.215 -10.462 -12.948 1.00 21.12 N ATOM 1365 CA VAL A 85 1.197 -9.044 -13.286 1.00 35.22 C ATOM 1366 C VAL A 85 2.555 -8.388 -12.988 1.00 62.21 C ATOM 1367 O VAL A 85 2.971 -7.496 -13.725 1.00 63.31 O ATOM 1368 CB VAL A 85 -0.004 -8.336 -12.636 1.00 23.15 C ATOM 1369 CG1 VAL A 85 0.105 -8.245 -11.113 1.00 31.44 C ATOM 1370 CG2 VAL A 85 -0.198 -6.931 -13.219 1.00 12.54 C ATOM 0 H VAL A 85 0.545 -10.736 -12.230 1.00 21.12 H new ATOM 0 HA VAL A 85 1.051 -8.935 -14.361 1.00 35.22 H new ATOM 0 HB VAL A 85 -0.872 -8.953 -12.867 1.00 23.15 H new ATOM 0 HG11 VAL A 85 -0.773 -7.735 -10.715 1.00 31.44 H new ATOM 0 HG12 VAL A 85 0.164 -9.249 -10.692 1.00 31.44 H new ATOM 0 HG13 VAL A 85 1.002 -7.686 -10.845 1.00 31.44 H new ATOM 0 HG21 VAL A 85 -1.054 -6.454 -12.741 1.00 12.54 H new ATOM 0 HG22 VAL A 85 0.697 -6.335 -13.039 1.00 12.54 H new ATOM 0 HG23 VAL A 85 -0.375 -7.004 -14.292 1.00 12.54 H new ATOM 1380 N THR A 86 3.275 -8.863 -11.958 1.00 62.21 N ATOM 1381 CA THR A 86 4.657 -8.465 -11.713 1.00 34.41 C ATOM 1382 C THR A 86 5.583 -9.146 -12.725 1.00 65.42 C ATOM 1383 O THR A 86 6.337 -8.468 -13.421 1.00 44.54 O ATOM 1384 CB THR A 86 5.088 -8.770 -10.268 1.00 21.23 C ATOM 1385 OG1 THR A 86 5.104 -10.155 -9.999 1.00 11.53 O ATOM 1386 CG2 THR A 86 4.179 -8.079 -9.253 1.00 41.44 C ATOM 0 H THR A 86 2.910 -9.531 -11.279 1.00 62.21 H new ATOM 0 HA THR A 86 4.731 -7.385 -11.843 1.00 34.41 H new ATOM 0 HB THR A 86 6.102 -8.382 -10.169 1.00 21.23 H new ATOM 0 HG1 THR A 86 4.184 -10.481 -9.909 1.00 11.53 H new ATOM 0 HG21 THR A 86 4.514 -8.317 -8.243 1.00 41.44 H new ATOM 0 HG22 THR A 86 4.219 -7.000 -9.404 1.00 41.44 H new ATOM 0 HG23 THR A 86 3.154 -8.426 -9.387 1.00 41.44 H new ATOM 1394 N LEU A 87 5.520 -10.483 -12.801 1.00 24.21 N ATOM 1395 CA LEU A 87 6.346 -11.291 -13.686 1.00 12.14 C ATOM 1396 C LEU A 87 5.732 -11.307 -15.088 1.00 75.33 C ATOM 1397 O LEU A 87 5.232 -12.333 -15.546 1.00 53.43 O ATOM 1398 CB LEU A 87 6.517 -12.718 -13.134 1.00 42.23 C ATOM 1399 CG LEU A 87 6.975 -12.801 -11.667 1.00 11.40 C ATOM 1400 CD1 LEU A 87 7.047 -14.270 -11.236 1.00 43.43 C ATOM 1401 CD2 LEU A 87 8.341 -12.141 -11.454 1.00 52.05 C ATOM 0 H LEU A 87 4.878 -11.037 -12.234 1.00 24.21 H new ATOM 0 HA LEU A 87 7.340 -10.848 -13.745 1.00 12.14 H new ATOM 0 HB2 LEU A 87 5.568 -13.245 -13.232 1.00 42.23 H new ATOM 0 HB3 LEU A 87 7.241 -13.246 -13.755 1.00 42.23 H new ATOM 0 HG LEU A 87 6.246 -12.262 -11.061 1.00 11.40 H new ATOM 0 HD11 LEU A 87 7.371 -14.329 -10.197 1.00 43.43 H new ATOM 0 HD12 LEU A 87 6.062 -14.727 -11.335 1.00 43.43 H new ATOM 0 HD13 LEU A 87 7.759 -14.800 -11.869 1.00 43.43 H new ATOM 0 HD21 LEU A 87 8.625 -12.223 -10.405 1.00 52.05 H new ATOM 0 HD22 LEU A 87 9.087 -12.641 -12.072 1.00 52.05 H new ATOM 0 HD23 LEU A 87 8.284 -11.089 -11.734 1.00 52.05 H new ATOM 1413 N SER A 88 5.806 -10.171 -15.791 1.00 73.43 N ATOM 1414 CA SER A 88 5.482 -10.097 -17.211 1.00 3.10 C ATOM 1415 C SER A 88 6.353 -11.069 -18.019 1.00 71.23 C ATOM 1416 O SER A 88 5.938 -11.521 -19.085 1.00 23.54 O ATOM 1417 CB SER A 88 5.650 -8.655 -17.703 1.00 44.51 C ATOM 1418 OG SER A 88 5.288 -8.553 -19.064 1.00 14.35 O ATOM 0 H SER A 88 6.093 -9.280 -15.387 1.00 73.43 H new ATOM 0 HA SER A 88 4.443 -10.394 -17.357 1.00 3.10 H new ATOM 0 HB2 SER A 88 5.032 -7.986 -17.105 1.00 44.51 H new ATOM 0 HB3 SER A 88 6.684 -8.337 -17.571 1.00 44.51 H new ATOM 0 HG SER A 88 5.399 -7.627 -19.363 1.00 14.35 H new ATOM 1424 N GLN A 89 7.543 -11.410 -17.500 1.00 41.44 N ATOM 1425 CA GLN A 89 8.437 -12.380 -18.108 1.00 24.24 C ATOM 1426 C GLN A 89 8.056 -13.790 -17.642 1.00 42.33 C ATOM 1427 O GLN A 89 7.684 -13.965 -16.481 1.00 0.51 O ATOM 1428 CB GLN A 89 9.894 -12.034 -17.770 1.00 52.33 C ATOM 1429 CG GLN A 89 10.264 -12.236 -16.291 1.00 42.11 C ATOM 1430 CD GLN A 89 11.698 -11.802 -15.989 1.00 3.41 C ATOM 1431 OE1 GLN A 89 12.389 -11.252 -16.844 1.00 54.24 O ATOM 1432 NE2 GLN A 89 12.153 -12.057 -14.760 1.00 74.33 N ATOM 0 H GLN A 89 7.906 -11.009 -16.635 1.00 41.44 H new ATOM 0 HA GLN A 89 8.339 -12.349 -19.193 1.00 24.24 H new ATOM 0 HB2 GLN A 89 10.553 -12.647 -18.385 1.00 52.33 H new ATOM 0 HB3 GLN A 89 10.081 -10.995 -18.041 1.00 52.33 H new ATOM 0 HG2 GLN A 89 9.575 -11.668 -15.665 1.00 42.11 H new ATOM 0 HG3 GLN A 89 10.141 -13.287 -16.028 1.00 42.11 H new ATOM 0 HE21 GLN A 89 11.549 -12.515 -14.078 1.00 74.33 H new ATOM 0 HE22 GLN A 89 13.104 -11.793 -14.504 1.00 74.33 H new ATOM 1441 N PRO A 90 8.141 -14.803 -18.519 1.00 0.24 N ATOM 1442 CA PRO A 90 7.858 -16.184 -18.171 1.00 23.32 C ATOM 1443 C PRO A 90 9.003 -16.739 -17.327 1.00 23.44 C ATOM 1444 O PRO A 90 10.074 -17.036 -17.855 1.00 24.42 O ATOM 1445 CB PRO A 90 7.731 -16.910 -19.512 1.00 1.04 C ATOM 1446 CG PRO A 90 8.643 -16.114 -20.444 1.00 4.10 C ATOM 1447 CD PRO A 90 8.489 -14.684 -19.926 1.00 0.11 C ATOM 0 HA PRO A 90 6.951 -16.303 -17.578 1.00 23.32 H new ATOM 0 HB2 PRO A 90 8.047 -17.950 -19.435 1.00 1.04 H new ATOM 0 HB3 PRO A 90 6.701 -16.915 -19.868 1.00 1.04 H new ATOM 0 HG2 PRO A 90 9.677 -16.456 -20.388 1.00 4.10 H new ATOM 0 HG3 PRO A 90 8.334 -16.203 -21.486 1.00 4.10 H new ATOM 0 HD2 PRO A 90 9.414 -14.121 -20.053 1.00 0.11 H new ATOM 0 HD3 PRO A 90 7.713 -14.151 -20.476 1.00 0.11 H new ATOM 1455 N LYS A 91 8.783 -16.880 -16.013 1.00 41.44 N ATOM 1456 CA LYS A 91 9.787 -17.434 -15.121 1.00 12.40 C ATOM 1457 C LYS A 91 9.721 -18.956 -15.246 1.00 20.22 C ATOM 1458 O LYS A 91 8.909 -19.606 -14.590 1.00 14.41 O ATOM 1459 CB LYS A 91 9.577 -16.916 -13.688 1.00 22.15 C ATOM 1460 CG LYS A 91 10.840 -17.021 -12.816 1.00 12.20 C ATOM 1461 CD LYS A 91 11.387 -18.448 -12.686 1.00 32.33 C ATOM 1462 CE LYS A 91 12.563 -18.508 -11.709 1.00 25.31 C ATOM 1463 NZ LYS A 91 13.073 -19.883 -11.579 1.00 33.34 N ATOM 0 H LYS A 91 7.913 -16.614 -15.552 1.00 41.44 H new ATOM 0 HA LYS A 91 10.793 -17.113 -15.393 1.00 12.40 H new ATOM 0 HB2 LYS A 91 9.256 -15.875 -13.728 1.00 22.15 H new ATOM 0 HB3 LYS A 91 8.771 -17.480 -13.219 1.00 22.15 H new ATOM 0 HG2 LYS A 91 11.616 -16.382 -13.238 1.00 12.20 H new ATOM 0 HG3 LYS A 91 10.616 -16.636 -11.821 1.00 12.20 H new ATOM 0 HD2 LYS A 91 10.594 -19.114 -12.345 1.00 32.33 H new ATOM 0 HD3 LYS A 91 11.706 -18.808 -13.664 1.00 32.33 H new ATOM 0 HE2 LYS A 91 13.361 -17.852 -12.055 1.00 25.31 H new ATOM 0 HE3 LYS A 91 12.248 -18.140 -10.733 1.00 25.31 H new ATOM 0 HZ1 LYS A 91 13.870 -19.896 -10.911 1.00 33.34 H new ATOM 0 HZ2 LYS A 91 12.316 -20.502 -11.226 1.00 33.34 H new ATOM 0 HZ3 LYS A 91 13.394 -20.223 -12.508 1.00 33.34 H new ATOM 1477 N ILE A 92 10.588 -19.506 -16.106 1.00 74.54 N ATOM 1478 CA ILE A 92 10.743 -20.934 -16.339 1.00 54.33 C ATOM 1479 C ILE A 92 11.359 -21.565 -15.088 1.00 23.12 C ATOM 1480 O ILE A 92 12.577 -21.522 -14.910 1.00 72.41 O ATOM 1481 CB ILE A 92 11.623 -21.160 -17.590 1.00 11.31 C ATOM 1482 CG1 ILE A 92 11.110 -20.424 -18.844 1.00 23.24 C ATOM 1483 CG2 ILE A 92 11.796 -22.654 -17.901 1.00 2.34 C ATOM 1484 CD1 ILE A 92 9.631 -20.668 -19.166 1.00 23.11 C ATOM 0 H ILE A 92 11.220 -18.942 -16.675 1.00 74.54 H new ATOM 0 HA ILE A 92 9.778 -21.406 -16.527 1.00 54.33 H new ATOM 0 HB ILE A 92 12.592 -20.731 -17.336 1.00 11.31 H new ATOM 0 HG12 ILE A 92 11.268 -19.354 -18.711 1.00 23.24 H new ATOM 0 HG13 ILE A 92 11.710 -20.731 -19.700 1.00 23.24 H new ATOM 0 HG21 ILE A 92 12.420 -22.771 -18.787 1.00 2.34 H new ATOM 0 HG22 ILE A 92 12.271 -23.149 -17.054 1.00 2.34 H new ATOM 0 HG23 ILE A 92 10.820 -23.103 -18.083 1.00 2.34 H new ATOM 0 HD11 ILE A 92 9.357 -20.112 -20.063 1.00 23.11 H new ATOM 0 HD12 ILE A 92 9.466 -21.732 -19.335 1.00 23.11 H new ATOM 0 HD13 ILE A 92 9.017 -20.334 -18.330 1.00 23.11 H new ATOM 1496 N VAL A 93 10.523 -22.159 -14.226 1.00 61.13 N ATOM 1497 CA VAL A 93 11.001 -22.934 -13.091 1.00 1.40 C ATOM 1498 C VAL A 93 11.396 -24.314 -13.601 1.00 52.23 C ATOM 1499 O VAL A 93 10.672 -24.900 -14.400 1.00 54.23 O ATOM 1500 CB VAL A 93 9.938 -23.067 -11.989 1.00 54.21 C ATOM 1501 CG1 VAL A 93 10.593 -23.704 -10.754 1.00 61.31 C ATOM 1502 CG2 VAL A 93 9.328 -21.726 -11.591 1.00 25.12 C ATOM 0 H VAL A 93 9.507 -22.112 -14.301 1.00 61.13 H new ATOM 0 HA VAL A 93 11.853 -22.419 -12.646 1.00 1.40 H new ATOM 0 HB VAL A 93 9.130 -23.686 -12.380 1.00 54.21 H new ATOM 0 HG11 VAL A 93 9.852 -23.806 -9.961 1.00 61.31 H new ATOM 0 HG12 VAL A 93 10.982 -24.688 -11.015 1.00 61.31 H new ATOM 0 HG13 VAL A 93 11.410 -23.071 -10.408 1.00 61.31 H new ATOM 0 HG21 VAL A 93 8.584 -21.882 -10.810 1.00 25.12 H new ATOM 0 HG22 VAL A 93 10.112 -21.066 -11.219 1.00 25.12 H new ATOM 0 HG23 VAL A 93 8.852 -21.271 -12.459 1.00 25.12 H new ATOM 1512 N LYS A 94 12.538 -24.827 -13.135 1.00 43.13 N ATOM 1513 CA LYS A 94 13.041 -26.138 -13.505 1.00 11.35 C ATOM 1514 C LYS A 94 12.672 -27.117 -12.392 1.00 3.44 C ATOM 1515 O LYS A 94 13.278 -27.077 -11.322 1.00 23.32 O ATOM 1516 CB LYS A 94 14.556 -26.056 -13.734 1.00 63.12 C ATOM 1517 CG LYS A 94 14.885 -25.079 -14.873 1.00 55.34 C ATOM 1518 CD LYS A 94 16.391 -25.067 -15.163 1.00 71.35 C ATOM 1519 CE LYS A 94 16.763 -24.013 -16.213 1.00 52.43 C ATOM 1520 NZ LYS A 94 16.151 -24.288 -17.526 1.00 64.52 N ATOM 0 H LYS A 94 13.143 -24.330 -12.481 1.00 43.13 H new ATOM 0 HA LYS A 94 12.595 -26.490 -14.436 1.00 11.35 H new ATOM 0 HB2 LYS A 94 15.050 -25.732 -12.818 1.00 63.12 H new ATOM 0 HB3 LYS A 94 14.946 -27.045 -13.974 1.00 63.12 H new ATOM 0 HG2 LYS A 94 14.339 -25.365 -15.772 1.00 55.34 H new ATOM 0 HG3 LYS A 94 14.554 -24.076 -14.605 1.00 55.34 H new ATOM 0 HD2 LYS A 94 16.937 -24.869 -14.241 1.00 71.35 H new ATOM 0 HD3 LYS A 94 16.701 -26.052 -15.512 1.00 71.35 H new ATOM 0 HE2 LYS A 94 16.445 -23.030 -15.866 1.00 52.43 H new ATOM 0 HE3 LYS A 94 17.847 -23.978 -16.321 1.00 52.43 H new ATOM 0 HZ1 LYS A 94 16.472 -23.578 -18.214 1.00 64.52 H new ATOM 0 HZ2 LYS A 94 16.433 -25.235 -17.849 1.00 64.52 H new ATOM 0 HZ3 LYS A 94 15.115 -24.245 -17.442 1.00 64.52 H new ATOM 1534 N TRP A 95 11.670 -27.974 -12.645 1.00 12.34 N ATOM 1535 CA TRP A 95 11.210 -29.011 -11.730 1.00 53.21 C ATOM 1536 C TRP A 95 12.401 -29.818 -11.204 1.00 32.20 C ATOM 1537 O TRP A 95 13.101 -30.474 -11.976 1.00 53.34 O ATOM 1538 CB TRP A 95 10.239 -29.946 -12.459 1.00 33.33 C ATOM 1539 CG TRP A 95 9.902 -31.214 -11.733 1.00 65.13 C ATOM 1540 CD1 TRP A 95 9.473 -31.314 -10.455 1.00 15.40 C ATOM 1541 CD2 TRP A 95 10.034 -32.582 -12.213 1.00 42.31 C ATOM 1542 NE1 TRP A 95 9.334 -32.642 -10.110 1.00 71.23 N ATOM 1543 CE2 TRP A 95 9.654 -33.472 -11.167 1.00 54.42 C ATOM 1544 CE3 TRP A 95 10.468 -33.161 -13.423 1.00 52.24 C ATOM 1545 CZ2 TRP A 95 9.678 -34.868 -11.326 1.00 12.23 C ATOM 1546 CZ3 TRP A 95 10.479 -34.558 -13.600 1.00 21.24 C ATOM 1547 CH2 TRP A 95 10.066 -35.410 -12.562 1.00 0.53 C ATOM 0 H TRP A 95 11.147 -27.957 -13.521 1.00 12.34 H new ATOM 0 HA TRP A 95 10.701 -28.540 -10.889 1.00 53.21 H new ATOM 0 HB2 TRP A 95 9.315 -29.402 -12.654 1.00 33.33 H new ATOM 0 HB3 TRP A 95 10.668 -30.204 -13.427 1.00 33.33 H new ATOM 0 HD1 TRP A 95 9.269 -30.479 -9.802 1.00 15.40 H new ATOM 0 HE1 TRP A 95 9.033 -32.969 -9.192 1.00 71.23 H new ATOM 0 HE3 TRP A 95 10.798 -32.522 -14.229 1.00 52.24 H new ATOM 0 HZ2 TRP A 95 9.401 -35.516 -10.508 1.00 12.23 H new ATOM 0 HZ3 TRP A 95 10.807 -34.977 -14.540 1.00 21.24 H new ATOM 0 HH2 TRP A 95 10.047 -36.479 -12.714 1.00 0.53 H new ATOM 1558 N ASP A 96 12.625 -29.744 -9.889 1.00 63.43 N ATOM 1559 CA ASP A 96 13.798 -30.291 -9.223 1.00 2.32 C ATOM 1560 C ASP A 96 13.609 -31.768 -8.866 1.00 25.13 C ATOM 1561 O ASP A 96 13.549 -32.132 -7.693 1.00 22.32 O ATOM 1562 CB ASP A 96 14.171 -29.411 -8.016 1.00 42.51 C ATOM 1563 CG ASP A 96 13.019 -29.184 -7.033 1.00 15.30 C ATOM 1564 OD1 ASP A 96 13.049 -29.817 -5.955 1.00 13.53 O ATOM 1565 OD2 ASP A 96 12.137 -28.364 -7.370 1.00 24.53 O ATOM 0 H ASP A 96 11.976 -29.289 -9.247 1.00 63.43 H new ATOM 0 HA ASP A 96 14.643 -30.270 -9.911 1.00 2.32 H new ATOM 0 HB2 ASP A 96 15.003 -29.874 -7.485 1.00 42.51 H new ATOM 0 HB3 ASP A 96 14.522 -28.445 -8.378 1.00 42.51 H new ATOM 1570 N ARG A 97 13.568 -32.631 -9.891 1.00 21.52 N ATOM 1571 CA ARG A 97 13.586 -34.078 -9.712 1.00 53.25 C ATOM 1572 C ARG A 97 14.961 -34.578 -9.261 1.00 51.04 C ATOM 1573 O ARG A 97 15.038 -35.559 -8.523 1.00 62.41 O ATOM 1574 CB ARG A 97 13.077 -34.801 -10.966 1.00 1.24 C ATOM 1575 CG ARG A 97 14.063 -35.030 -12.118 1.00 12.42 C ATOM 1576 CD ARG A 97 14.437 -33.739 -12.847 1.00 12.12 C ATOM 1577 NE ARG A 97 15.286 -34.030 -14.006 1.00 22.42 N ATOM 1578 CZ ARG A 97 15.783 -33.102 -14.838 1.00 31.23 C ATOM 1579 NH1 ARG A 97 15.468 -31.806 -14.685 1.00 55.51 N ATOM 1580 NH2 ARG A 97 16.607 -33.479 -15.824 1.00 20.32 N ATOM 0 H ARG A 97 13.521 -32.338 -10.867 1.00 21.52 H new ATOM 0 HA ARG A 97 12.894 -34.321 -8.906 1.00 53.25 H new ATOM 0 HB2 ARG A 97 12.693 -35.773 -10.657 1.00 1.24 H new ATOM 0 HB3 ARG A 97 12.232 -34.234 -11.358 1.00 1.24 H new ATOM 0 HG2 ARG A 97 14.968 -35.496 -11.728 1.00 12.42 H new ATOM 0 HG3 ARG A 97 13.626 -35.730 -12.830 1.00 12.42 H new ATOM 0 HD2 ARG A 97 13.533 -33.223 -13.171 1.00 12.12 H new ATOM 0 HD3 ARG A 97 14.960 -33.068 -12.165 1.00 12.12 H new ATOM 0 HE ARG A 97 15.515 -35.006 -14.193 1.00 22.42 H new ATOM 0 HH11 ARG A 97 14.845 -31.518 -13.930 1.00 55.51 H new ATOM 0 HH12 ARG A 97 15.852 -31.109 -15.323 1.00 55.51 H new ATOM 0 HH21 ARG A 97 16.851 -34.463 -15.937 1.00 20.32 H new ATOM 0 HH22 ARG A 97 16.991 -32.782 -16.462 1.00 20.32 H new