USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 622 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 42 GLN : amide:sc= 0.025 X(o=0.05,f=0) USER MOD Set 1.2: A 44 THR OG1 : rot -150:sc= 0.0251 USER MOD Set 2.1: A 5 GLN : amide:sc= -2.22! C(o=-1.7!,f=-5.6!) USER MOD Set 2.2: A 72 THR OG1 : rot -71:sc= 0.471 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 117:sc= 0.777 USER MOD Single : A 12 ASN : amide:sc= -2.04! K(o=-2!,f=-3.1) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 32 TYR OH : rot 130:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 140:sc= -0.263 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 47 SER OG : rot -119:sc= -1.43 USER MOD Single : A 48 ASN : amide:sc= -0.0262 X(o=-0.026,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0701 X(o=-0.07,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.487 F(o=-1,f=-0.49) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 1.355 8.998 -13.087 1.00 65.10 N ATOM 28 CA GLN A 3 0.663 7.850 -12.458 1.00 44.34 C ATOM 29 C GLN A 3 1.313 7.486 -11.104 1.00 35.35 C ATOM 30 O GLN A 3 2.520 7.238 -11.028 1.00 74.24 O ATOM 31 CB GLN A 3 0.672 6.612 -13.395 1.00 64.41 C ATOM 32 CG GLN A 3 -0.027 5.363 -12.807 1.00 42.23 C ATOM 33 CD GLN A 3 0.087 4.127 -13.697 1.00 41.23 C ATOM 34 OE1 GLN A 3 0.150 4.227 -14.922 1.00 65.13 O ATOM 35 NE2 GLN A 3 0.126 2.954 -13.094 1.00 41.44 N ATOM 0 HA GLN A 3 -0.371 8.148 -12.282 1.00 44.34 H new ATOM 0 HB2 GLN A 3 0.186 6.878 -14.334 1.00 64.41 H new ATOM 0 HB3 GLN A 3 1.705 6.358 -13.632 1.00 64.41 H new ATOM 0 HG2 GLN A 3 0.405 5.140 -11.831 1.00 42.23 H new ATOM 0 HG3 GLN A 3 -1.081 5.589 -12.645 1.00 42.23 H new ATOM 0 HE21 GLN A 3 0.072 2.901 -12.077 1.00 41.44 H new ATOM 0 HE22 GLN A 3 0.210 2.100 -13.645 1.00 41.44 H new ATOM 44 N TRP A 4 0.488 7.440 -10.058 1.00 73.13 N ATOM 45 CA TRP A 4 0.933 7.263 -8.671 1.00 63.11 C ATOM 46 C TRP A 4 0.901 5.765 -8.296 1.00 13.45 C ATOM 47 O TRP A 4 -0.073 5.057 -8.600 1.00 54.12 O ATOM 48 CB TRP A 4 0.013 8.080 -7.724 1.00 21.11 C ATOM 49 CG TRP A 4 -0.163 9.541 -8.108 1.00 24.05 C ATOM 50 CD1 TRP A 4 0.502 10.619 -7.596 1.00 55.22 C ATOM 51 CD2 TRP A 4 -1.074 10.071 -9.094 1.00 22.04 C ATOM 52 NE1 TRP A 4 0.069 11.772 -8.200 1.00 73.22 N ATOM 53 CE2 TRP A 4 -0.890 11.463 -9.125 1.00 52.21 C ATOM 54 CE3 TRP A 4 -2.024 9.496 -9.955 1.00 30.50 C ATOM 55 CZ2 TRP A 4 -1.607 12.288 -9.986 1.00 25.54 C ATOM 56 CZ3 TRP A 4 -2.734 10.316 -10.808 1.00 12.14 C ATOM 57 CH2 TRP A 4 -2.524 11.699 -10.818 1.00 23.15 C ATOM 0 H TRP A 4 -0.524 7.526 -10.149 1.00 73.13 H new ATOM 0 HA TRP A 4 1.956 7.624 -8.568 1.00 63.11 H new ATOM 0 HB2 TRP A 4 -0.968 7.606 -7.696 1.00 21.11 H new ATOM 0 HB3 TRP A 4 0.420 8.031 -6.714 1.00 21.11 H new ATOM 0 HD1 TRP A 4 1.259 10.570 -6.827 1.00 55.22 H new ATOM 0 HE1 TRP A 4 0.408 12.711 -7.992 1.00 73.22 H new ATOM 0 HE3 TRP A 4 -2.196 8.430 -9.949 1.00 30.50 H new ATOM 0 HZ2 TRP A 4 -1.447 13.356 -9.999 1.00 25.54 H new ATOM 0 HZ3 TRP A 4 -3.463 9.884 -11.478 1.00 12.14 H new ATOM 0 HH2 TRP A 4 -3.096 12.316 -11.495 1.00 23.15 H new ATOM 68 N GLN A 5 1.972 5.302 -7.639 1.00 52.22 N ATOM 69 CA GLN A 5 2.151 3.897 -7.228 1.00 70.01 C ATOM 70 C GLN A 5 2.758 3.864 -5.807 1.00 65.34 C ATOM 71 O GLN A 5 3.823 4.434 -5.571 1.00 13.43 O ATOM 72 CB GLN A 5 3.056 3.171 -8.273 1.00 70.12 C ATOM 73 CG GLN A 5 3.592 1.784 -7.861 1.00 62.22 C ATOM 74 CD GLN A 5 4.429 1.133 -8.965 1.00 5.13 C ATOM 75 OE1 GLN A 5 3.933 0.337 -9.758 1.00 60.21 O ATOM 76 NE2 GLN A 5 5.695 1.506 -9.061 1.00 62.30 N ATOM 0 H GLN A 5 2.754 5.901 -7.372 1.00 52.22 H new ATOM 0 HA GLN A 5 1.196 3.373 -7.196 1.00 70.01 H new ATOM 0 HB2 GLN A 5 2.490 3.059 -9.198 1.00 70.12 H new ATOM 0 HB3 GLN A 5 3.907 3.815 -8.496 1.00 70.12 H new ATOM 0 HG2 GLN A 5 4.198 1.884 -6.960 1.00 62.22 H new ATOM 0 HG3 GLN A 5 2.754 1.133 -7.611 1.00 62.22 H new ATOM 0 HE21 GLN A 5 6.084 2.169 -8.390 1.00 62.30 H new ATOM 0 HE22 GLN A 5 6.282 1.131 -9.806 1.00 62.30 H new ATOM 85 N ILE A 6 2.058 3.197 -4.876 1.00 70.03 N ATOM 86 CA ILE A 6 2.435 3.116 -3.451 1.00 22.43 C ATOM 87 C ILE A 6 3.224 1.811 -3.216 1.00 11.42 C ATOM 88 O ILE A 6 2.673 0.731 -3.382 1.00 61.25 O ATOM 89 CB ILE A 6 1.138 3.100 -2.534 1.00 74.53 C ATOM 90 CG1 ILE A 6 0.136 4.229 -2.933 1.00 21.01 C ATOM 91 CG2 ILE A 6 1.504 3.207 -1.032 1.00 54.14 C ATOM 92 CD1 ILE A 6 -1.262 4.062 -2.345 1.00 5.42 C ATOM 0 H ILE A 6 1.200 2.690 -5.093 1.00 70.03 H new ATOM 0 HA ILE A 6 3.043 3.984 -3.196 1.00 22.43 H new ATOM 0 HB ILE A 6 0.647 2.141 -2.697 1.00 74.53 H new ATOM 0 HG12 ILE A 6 0.541 5.189 -2.612 1.00 21.01 H new ATOM 0 HG13 ILE A 6 0.059 4.263 -4.020 1.00 21.01 H new ATOM 0 HG21 ILE A 6 0.593 3.193 -0.434 1.00 54.14 H new ATOM 0 HG22 ILE A 6 2.136 2.365 -0.751 1.00 54.14 H new ATOM 0 HG23 ILE A 6 2.041 4.139 -0.854 1.00 54.14 H new ATOM 0 HD11 ILE A 6 -1.895 4.888 -2.671 1.00 5.42 H new ATOM 0 HD12 ILE A 6 -1.690 3.120 -2.687 1.00 5.42 H new ATOM 0 HD13 ILE A 6 -1.201 4.059 -1.257 1.00 5.42 H new ATOM 104 N LYS A 7 4.510 1.909 -2.868 1.00 52.11 N ATOM 105 CA LYS A 7 5.339 0.737 -2.521 1.00 62.22 C ATOM 106 C LYS A 7 5.594 0.729 -1.016 1.00 15.12 C ATOM 107 O LYS A 7 6.363 1.532 -0.502 1.00 12.23 O ATOM 108 CB LYS A 7 6.683 0.742 -3.292 1.00 61.21 C ATOM 109 CG LYS A 7 6.554 0.544 -4.813 1.00 31.30 C ATOM 110 CD LYS A 7 7.935 0.366 -5.477 1.00 33.20 C ATOM 111 CE LYS A 7 7.850 0.209 -6.994 1.00 4.23 C ATOM 112 NZ LYS A 7 9.196 0.065 -7.617 1.00 61.42 N ATOM 0 H LYS A 7 5.010 2.797 -2.817 1.00 52.11 H new ATOM 0 HA LYS A 7 4.800 -0.165 -2.810 1.00 62.22 H new ATOM 0 HB2 LYS A 7 7.190 1.688 -3.104 1.00 61.21 H new ATOM 0 HB3 LYS A 7 7.320 -0.046 -2.890 1.00 61.21 H new ATOM 0 HG2 LYS A 7 5.936 -0.330 -5.016 1.00 31.30 H new ATOM 0 HG3 LYS A 7 6.046 1.403 -5.251 1.00 31.30 H new ATOM 0 HD2 LYS A 7 8.560 1.227 -5.240 1.00 33.20 H new ATOM 0 HD3 LYS A 7 8.426 -0.510 -5.053 1.00 33.20 H new ATOM 0 HE2 LYS A 7 7.244 -0.664 -7.235 1.00 4.23 H new ATOM 0 HE3 LYS A 7 7.344 1.075 -7.420 1.00 4.23 H new ATOM 0 HZ1 LYS A 7 9.093 -0.039 -8.647 1.00 61.42 H new ATOM 0 HZ2 LYS A 7 9.767 0.909 -7.410 1.00 61.42 H new ATOM 0 HZ3 LYS A 7 9.669 -0.776 -7.230 1.00 61.42 H new ATOM 126 N ILE A 8 4.934 -0.185 -0.320 1.00 64.23 N ATOM 127 CA ILE A 8 5.007 -0.295 1.139 1.00 4.04 C ATOM 128 C ILE A 8 6.000 -1.421 1.483 1.00 22.15 C ATOM 129 O ILE A 8 5.708 -2.574 1.237 1.00 74.42 O ATOM 130 CB ILE A 8 3.574 -0.603 1.733 1.00 31.42 C ATOM 131 CG1 ILE A 8 2.478 0.256 1.021 1.00 22.14 C ATOM 132 CG2 ILE A 8 3.541 -0.353 3.259 1.00 23.20 C ATOM 133 CD1 ILE A 8 1.050 -0.176 1.308 1.00 34.41 C ATOM 0 H ILE A 8 4.325 -0.880 -0.752 1.00 64.23 H new ATOM 0 HA ILE A 8 5.350 0.643 1.577 1.00 4.04 H new ATOM 0 HB ILE A 8 3.360 -1.656 1.552 1.00 31.42 H new ATOM 0 HG12 ILE A 8 2.597 1.296 1.324 1.00 22.14 H new ATOM 0 HG13 ILE A 8 2.646 0.216 -0.055 1.00 22.14 H new ATOM 0 HG21 ILE A 8 2.544 -0.572 3.642 1.00 23.20 H new ATOM 0 HG22 ILE A 8 4.269 -1.000 3.749 1.00 23.20 H new ATOM 0 HG23 ILE A 8 3.787 0.689 3.462 1.00 23.20 H new ATOM 0 HD11 ILE A 8 0.358 0.475 0.773 1.00 34.41 H new ATOM 0 HD12 ILE A 8 0.908 -1.205 0.978 1.00 34.41 H new ATOM 0 HD13 ILE A 8 0.858 -0.108 2.379 1.00 34.41 H new ATOM 145 N TYR A 9 7.191 -1.071 1.986 1.00 14.52 N ATOM 146 CA TYR A 9 8.260 -2.038 2.330 1.00 54.15 C ATOM 147 C TYR A 9 8.246 -2.340 3.843 1.00 32.34 C ATOM 148 O TYR A 9 8.666 -1.504 4.634 1.00 2.22 O ATOM 149 CB TYR A 9 9.661 -1.479 1.934 1.00 71.11 C ATOM 150 CG TYR A 9 9.874 -1.234 0.436 1.00 44.44 C ATOM 151 CD1 TYR A 9 10.171 -2.293 -0.425 1.00 73.45 C ATOM 152 CD2 TYR A 9 9.817 0.054 -0.111 1.00 44.11 C ATOM 153 CE1 TYR A 9 10.385 -2.083 -1.770 1.00 73.25 C ATOM 154 CE2 TYR A 9 10.037 0.265 -1.459 1.00 24.12 C ATOM 155 CZ TYR A 9 10.324 -0.804 -2.280 1.00 14.12 C ATOM 156 OH TYR A 9 10.559 -0.589 -3.622 1.00 42.21 O ATOM 0 H TYR A 9 7.449 -0.102 2.170 1.00 14.52 H new ATOM 0 HA TYR A 9 8.071 -2.956 1.773 1.00 54.15 H new ATOM 0 HB2 TYR A 9 9.822 -0.540 2.464 1.00 71.11 H new ATOM 0 HB3 TYR A 9 10.423 -2.176 2.282 1.00 71.11 H new ATOM 0 HD1 TYR A 9 10.234 -3.296 -0.029 1.00 73.45 H new ATOM 0 HD2 TYR A 9 9.598 0.895 0.530 1.00 44.11 H new ATOM 0 HE1 TYR A 9 10.600 -2.917 -2.422 1.00 73.25 H new ATOM 0 HE2 TYR A 9 9.984 1.263 -1.867 1.00 24.12 H new ATOM 0 HH TYR A 9 10.476 0.367 -3.819 1.00 42.21 H new ATOM 166 N SER A 10 7.794 -3.534 4.236 1.00 11.50 N ATOM 167 CA SER A 10 7.786 -3.963 5.652 1.00 23.03 C ATOM 168 C SER A 10 8.570 -5.270 5.822 1.00 54.20 C ATOM 169 O SER A 10 8.918 -5.934 4.846 1.00 72.43 O ATOM 170 CB SER A 10 6.331 -4.154 6.143 1.00 1.13 C ATOM 171 OG SER A 10 6.279 -4.417 7.535 1.00 51.53 O ATOM 0 H SER A 10 7.424 -4.233 3.592 1.00 11.50 H new ATOM 0 HA SER A 10 8.265 -3.188 6.250 1.00 23.03 H new ATOM 0 HB2 SER A 10 5.751 -3.259 5.920 1.00 1.13 H new ATOM 0 HB3 SER A 10 5.868 -4.978 5.599 1.00 1.13 H new ATOM 0 HG SER A 10 5.789 -3.698 7.986 1.00 51.53 H new ATOM 177 N GLU A 11 8.852 -5.609 7.079 1.00 10.43 N ATOM 178 CA GLU A 11 9.383 -6.925 7.479 1.00 71.34 C ATOM 179 C GLU A 11 8.363 -7.656 8.370 1.00 45.21 C ATOM 180 O GLU A 11 8.598 -8.796 8.779 1.00 51.22 O ATOM 181 CB GLU A 11 10.734 -6.751 8.212 1.00 0.15 C ATOM 182 CG GLU A 11 10.693 -5.780 9.412 1.00 62.20 C ATOM 183 CD GLU A 11 12.065 -5.587 10.072 1.00 64.23 C ATOM 184 OE1 GLU A 11 12.953 -5.002 9.430 1.00 23.11 O ATOM 185 OE2 GLU A 11 12.262 -6.021 11.226 1.00 0.14 O ATOM 0 H GLU A 11 8.718 -4.973 7.865 1.00 10.43 H new ATOM 0 HA GLU A 11 9.553 -7.529 6.588 1.00 71.34 H new ATOM 0 HB2 GLU A 11 11.071 -7.727 8.562 1.00 0.15 H new ATOM 0 HB3 GLU A 11 11.477 -6.395 7.498 1.00 0.15 H new ATOM 0 HG2 GLU A 11 10.317 -4.813 9.078 1.00 62.20 H new ATOM 0 HG3 GLU A 11 9.989 -6.157 10.154 1.00 62.20 H new ATOM 192 N ASN A 12 7.232 -6.983 8.656 1.00 44.55 N ATOM 193 CA ASN A 12 6.135 -7.511 9.477 1.00 23.21 C ATOM 194 C ASN A 12 4.875 -7.681 8.606 1.00 34.11 C ATOM 195 O ASN A 12 4.230 -6.703 8.201 1.00 12.42 O ATOM 196 CB ASN A 12 5.872 -6.564 10.681 1.00 1.42 C ATOM 197 CG ASN A 12 4.742 -7.023 11.618 1.00 43.32 C ATOM 198 OD1 ASN A 12 4.396 -8.206 11.682 1.00 43.25 O ATOM 199 ND2 ASN A 12 4.188 -6.094 12.378 1.00 63.21 N ATOM 0 H ASN A 12 7.056 -6.038 8.314 1.00 44.55 H new ATOM 0 HA ASN A 12 6.408 -8.488 9.875 1.00 23.21 H new ATOM 0 HB2 ASN A 12 6.791 -6.469 11.260 1.00 1.42 H new ATOM 0 HB3 ASN A 12 5.631 -5.571 10.300 1.00 1.42 H new ATOM 0 HD21 ASN A 12 3.454 -6.347 13.039 1.00 63.21 H new ATOM 0 HD22 ASN A 12 4.495 -5.124 12.303 1.00 63.21 H new ATOM 206 N GLU A 13 4.545 -8.954 8.343 1.00 75.01 N ATOM 207 CA GLU A 13 3.384 -9.374 7.535 1.00 64.35 C ATOM 208 C GLU A 13 2.047 -8.983 8.198 1.00 62.34 C ATOM 209 O GLU A 13 1.035 -8.844 7.509 1.00 62.35 O ATOM 210 CB GLU A 13 3.449 -10.910 7.334 1.00 53.30 C ATOM 211 CG GLU A 13 3.386 -11.706 8.656 1.00 73.33 C ATOM 212 CD GLU A 13 3.527 -13.216 8.476 1.00 31.42 C ATOM 213 OE1 GLU A 13 2.592 -13.851 7.933 1.00 53.45 O ATOM 214 OE2 GLU A 13 4.557 -13.783 8.906 1.00 5.13 O ATOM 0 H GLU A 13 5.090 -9.742 8.694 1.00 75.01 H new ATOM 0 HA GLU A 13 3.427 -8.861 6.574 1.00 64.35 H new ATOM 0 HB2 GLU A 13 2.624 -11.220 6.692 1.00 53.30 H new ATOM 0 HB3 GLU A 13 4.372 -11.162 6.811 1.00 53.30 H new ATOM 0 HG2 GLU A 13 4.176 -11.354 9.319 1.00 73.33 H new ATOM 0 HG3 GLU A 13 2.438 -11.496 9.151 1.00 73.33 H new ATOM 221 N ARG A 14 2.067 -8.797 9.538 1.00 54.52 N ATOM 222 CA ARG A 14 0.862 -8.494 10.326 1.00 43.00 C ATOM 223 C ARG A 14 0.346 -7.066 10.036 1.00 51.41 C ATOM 224 O ARG A 14 -0.874 -6.845 10.005 1.00 22.42 O ATOM 225 CB ARG A 14 1.136 -8.694 11.836 1.00 20.00 C ATOM 226 CG ARG A 14 -0.089 -8.437 12.744 1.00 72.22 C ATOM 227 CD ARG A 14 -1.292 -9.347 12.404 1.00 25.14 C ATOM 228 NE ARG A 14 -2.528 -8.904 13.075 1.00 23.41 N ATOM 229 CZ ARG A 14 -3.436 -8.068 12.536 1.00 33.21 C ATOM 230 NH1 ARG A 14 -3.266 -7.571 11.313 1.00 23.21 N ATOM 231 NH2 ARG A 14 -4.524 -7.736 13.207 1.00 42.45 N ATOM 0 H ARG A 14 2.919 -8.854 10.097 1.00 54.52 H new ATOM 0 HA ARG A 14 0.078 -9.190 10.027 1.00 43.00 H new ATOM 0 HB2 ARG A 14 1.486 -9.713 11.998 1.00 20.00 H new ATOM 0 HB3 ARG A 14 1.944 -8.028 12.138 1.00 20.00 H new ATOM 0 HG2 ARG A 14 0.197 -8.595 13.784 1.00 72.22 H new ATOM 0 HG3 ARG A 14 -0.391 -7.394 12.651 1.00 72.22 H new ATOM 0 HD2 ARG A 14 -1.448 -9.354 11.325 1.00 25.14 H new ATOM 0 HD3 ARG A 14 -1.066 -10.372 12.700 1.00 25.14 H new ATOM 0 HE ARG A 14 -2.708 -9.256 14.015 1.00 23.41 H new ATOM 0 HH11 ARG A 14 -2.439 -7.822 10.771 1.00 23.21 H new ATOM 0 HH12 ARG A 14 -3.962 -6.939 10.918 1.00 23.21 H new ATOM 0 HH21 ARG A 14 -4.682 -8.113 14.141 1.00 42.45 H new ATOM 0 HH22 ARG A 14 -5.206 -7.102 12.791 1.00 42.45 H new ATOM 245 N GLU A 15 1.276 -6.119 9.785 1.00 65.32 N ATOM 246 CA GLU A 15 0.916 -4.746 9.367 1.00 30.15 C ATOM 247 C GLU A 15 0.180 -4.787 8.018 1.00 22.24 C ATOM 248 O GLU A 15 -0.786 -4.054 7.803 1.00 40.11 O ATOM 249 CB GLU A 15 2.168 -3.835 9.260 1.00 53.51 C ATOM 250 CG GLU A 15 2.943 -3.680 10.576 1.00 74.23 C ATOM 251 CD GLU A 15 4.112 -2.689 10.487 1.00 40.04 C ATOM 252 OE1 GLU A 15 5.159 -3.047 9.903 1.00 23.43 O ATOM 253 OE2 GLU A 15 3.987 -1.549 11.007 1.00 72.42 O ATOM 0 H GLU A 15 2.280 -6.280 9.864 1.00 65.32 H new ATOM 0 HA GLU A 15 0.261 -4.324 10.129 1.00 30.15 H new ATOM 0 HB2 GLU A 15 2.837 -4.243 8.502 1.00 53.51 H new ATOM 0 HB3 GLU A 15 1.858 -2.849 8.915 1.00 53.51 H new ATOM 0 HG2 GLU A 15 2.256 -3.350 11.356 1.00 74.23 H new ATOM 0 HG3 GLU A 15 3.326 -4.654 10.880 1.00 74.23 H new ATOM 260 N PHE A 16 0.633 -5.703 7.144 1.00 43.32 N ATOM 261 CA PHE A 16 0.040 -5.919 5.816 1.00 4.11 C ATOM 262 C PHE A 16 -1.296 -6.656 5.913 1.00 61.31 C ATOM 263 O PHE A 16 -2.162 -6.416 5.097 1.00 50.52 O ATOM 264 CB PHE A 16 1.035 -6.679 4.893 1.00 75.11 C ATOM 265 CG PHE A 16 2.181 -5.818 4.346 1.00 5.30 C ATOM 266 CD1 PHE A 16 2.353 -4.477 4.733 1.00 24.32 C ATOM 267 CD2 PHE A 16 3.065 -6.343 3.414 1.00 75.11 C ATOM 268 CE1 PHE A 16 3.364 -3.720 4.207 1.00 3.24 C ATOM 269 CE2 PHE A 16 4.069 -5.569 2.887 1.00 42.12 C ATOM 270 CZ PHE A 16 4.221 -4.266 3.285 1.00 23.23 C ATOM 0 H PHE A 16 1.424 -6.316 7.341 1.00 43.32 H new ATOM 0 HA PHE A 16 -0.160 -4.943 5.374 1.00 4.11 H new ATOM 0 HB2 PHE A 16 1.459 -7.516 5.448 1.00 75.11 H new ATOM 0 HB3 PHE A 16 0.482 -7.101 4.054 1.00 75.11 H new ATOM 0 HD1 PHE A 16 1.679 -4.039 5.454 1.00 24.32 H new ATOM 0 HD2 PHE A 16 2.962 -7.371 3.100 1.00 75.11 H new ATOM 0 HE1 PHE A 16 3.487 -2.693 4.517 1.00 3.24 H new ATOM 0 HE2 PHE A 16 4.743 -5.989 2.155 1.00 42.12 H new ATOM 0 HZ PHE A 16 5.019 -3.667 2.871 1.00 23.23 H new ATOM 280 N ARG A 17 -1.460 -7.507 6.940 1.00 71.43 N ATOM 281 CA ARG A 17 -2.715 -8.254 7.187 1.00 65.35 C ATOM 282 C ARG A 17 -3.904 -7.292 7.390 1.00 0.20 C ATOM 283 O ARG A 17 -5.043 -7.629 7.054 1.00 65.02 O ATOM 284 CB ARG A 17 -2.565 -9.223 8.413 1.00 74.11 C ATOM 285 CG ARG A 17 -2.631 -10.725 8.062 1.00 23.15 C ATOM 286 CD ARG A 17 -3.978 -11.127 7.429 1.00 41.25 C ATOM 287 NE ARG A 17 -5.113 -10.877 8.337 1.00 13.23 N ATOM 288 CZ ARG A 17 -6.412 -10.947 7.994 1.00 31.23 C ATOM 289 NH1 ARG A 17 -6.772 -11.262 6.752 1.00 11.33 N ATOM 290 NH2 ARG A 17 -7.352 -10.691 8.902 1.00 53.02 N ATOM 0 H ARG A 17 -0.729 -7.700 7.625 1.00 71.43 H new ATOM 0 HA ARG A 17 -2.919 -8.859 6.303 1.00 65.35 H new ATOM 0 HB2 ARG A 17 -1.613 -9.020 8.904 1.00 74.11 H new ATOM 0 HB3 ARG A 17 -3.350 -8.998 9.135 1.00 74.11 H new ATOM 0 HG2 ARG A 17 -1.823 -10.969 7.373 1.00 23.15 H new ATOM 0 HG3 ARG A 17 -2.468 -11.313 8.965 1.00 23.15 H new ATOM 0 HD2 ARG A 17 -4.124 -10.569 6.504 1.00 41.25 H new ATOM 0 HD3 ARG A 17 -3.952 -12.184 7.163 1.00 41.25 H new ATOM 0 HE ARG A 17 -4.896 -10.631 9.303 1.00 13.23 H new ATOM 0 HH11 ARG A 17 -6.060 -11.454 6.048 1.00 11.33 H new ATOM 0 HH12 ARG A 17 -7.760 -11.312 6.505 1.00 11.33 H new ATOM 0 HH21 ARG A 17 -7.086 -10.443 9.855 1.00 53.02 H new ATOM 0 HH22 ARG A 17 -8.338 -10.743 8.644 1.00 53.02 H new ATOM 304 N GLU A 18 -3.603 -6.090 7.924 1.00 31.44 N ATOM 305 CA GLU A 18 -4.569 -4.998 8.015 1.00 21.35 C ATOM 306 C GLU A 18 -4.892 -4.454 6.610 1.00 13.12 C ATOM 307 O GLU A 18 -6.053 -4.432 6.220 1.00 15.31 O ATOM 308 CB GLU A 18 -4.028 -3.880 8.941 1.00 12.41 C ATOM 309 CG GLU A 18 -3.889 -4.304 10.418 1.00 12.05 C ATOM 310 CD GLU A 18 -5.241 -4.643 11.087 1.00 73.00 C ATOM 311 OE1 GLU A 18 -5.927 -3.715 11.560 1.00 3.13 O ATOM 312 OE2 GLU A 18 -5.621 -5.837 11.152 1.00 43.02 O ATOM 0 H GLU A 18 -2.684 -5.859 8.301 1.00 31.44 H new ATOM 0 HA GLU A 18 -5.494 -5.376 8.450 1.00 21.35 H new ATOM 0 HB2 GLU A 18 -3.054 -3.556 8.573 1.00 12.41 H new ATOM 0 HB3 GLU A 18 -4.694 -3.019 8.882 1.00 12.41 H new ATOM 0 HG2 GLU A 18 -3.233 -5.173 10.479 1.00 12.05 H new ATOM 0 HG3 GLU A 18 -3.407 -3.501 10.975 1.00 12.05 H new ATOM 319 N LEU A 19 -3.840 -4.093 5.837 1.00 24.52 N ATOM 320 CA LEU A 19 -3.988 -3.493 4.488 1.00 21.02 C ATOM 321 C LEU A 19 -4.779 -4.394 3.522 1.00 1.45 C ATOM 322 O LEU A 19 -5.683 -3.905 2.851 1.00 31.43 O ATOM 323 CB LEU A 19 -2.611 -3.127 3.851 1.00 41.44 C ATOM 324 CG LEU A 19 -1.993 -1.751 4.266 1.00 63.14 C ATOM 325 CD1 LEU A 19 -2.924 -0.564 3.892 1.00 23.21 C ATOM 326 CD2 LEU A 19 -1.616 -1.726 5.761 1.00 2.23 C ATOM 0 H LEU A 19 -2.869 -4.208 6.128 1.00 24.52 H new ATOM 0 HA LEU A 19 -4.557 -2.576 4.642 1.00 21.02 H new ATOM 0 HB2 LEU A 19 -1.898 -3.912 4.105 1.00 41.44 H new ATOM 0 HB3 LEU A 19 -2.723 -3.137 2.767 1.00 41.44 H new ATOM 0 HG LEU A 19 -1.072 -1.629 3.696 1.00 63.14 H new ATOM 0 HD11 LEU A 19 -2.459 0.373 4.197 1.00 23.21 H new ATOM 0 HD12 LEU A 19 -3.087 -0.555 2.814 1.00 23.21 H new ATOM 0 HD13 LEU A 19 -3.881 -0.677 4.402 1.00 23.21 H new ATOM 0 HD21 LEU A 19 -1.190 -0.755 6.013 1.00 2.23 H new ATOM 0 HD22 LEU A 19 -2.508 -1.898 6.364 1.00 2.23 H new ATOM 0 HD23 LEU A 19 -0.884 -2.507 5.965 1.00 2.23 H new ATOM 338 N ILE A 20 -4.447 -5.704 3.494 1.00 5.34 N ATOM 339 CA ILE A 20 -5.097 -6.691 2.605 1.00 72.23 C ATOM 340 C ILE A 20 -6.630 -6.649 2.805 1.00 0.34 C ATOM 341 O ILE A 20 -7.381 -6.544 1.830 1.00 43.15 O ATOM 342 CB ILE A 20 -4.566 -8.163 2.846 1.00 23.22 C ATOM 343 CG1 ILE A 20 -3.006 -8.255 2.719 1.00 10.14 C ATOM 344 CG2 ILE A 20 -5.251 -9.178 1.893 1.00 4.34 C ATOM 345 CD1 ILE A 20 -2.415 -7.875 1.371 1.00 35.24 C ATOM 0 H ILE A 20 -3.721 -6.106 4.087 1.00 5.34 H new ATOM 0 HA ILE A 20 -4.846 -6.418 1.580 1.00 72.23 H new ATOM 0 HB ILE A 20 -4.830 -8.425 3.871 1.00 23.22 H new ATOM 0 HG12 ILE A 20 -2.563 -7.613 3.480 1.00 10.14 H new ATOM 0 HG13 ILE A 20 -2.704 -9.277 2.949 1.00 10.14 H new ATOM 0 HG21 ILE A 20 -4.862 -10.178 2.086 1.00 4.34 H new ATOM 0 HG22 ILE A 20 -6.328 -9.168 2.063 1.00 4.34 H new ATOM 0 HG23 ILE A 20 -5.045 -8.902 0.859 1.00 4.34 H new ATOM 0 HD11 ILE A 20 -1.331 -7.979 1.407 1.00 35.24 H new ATOM 0 HD12 ILE A 20 -2.817 -8.532 0.599 1.00 35.24 H new ATOM 0 HD13 ILE A 20 -2.673 -6.842 1.139 1.00 35.24 H new ATOM 357 N GLU A 21 -7.049 -6.623 4.097 1.00 14.01 N ATOM 358 CA GLU A 21 -8.455 -6.467 4.493 1.00 54.42 C ATOM 359 C GLU A 21 -9.059 -5.155 3.952 1.00 2.11 C ATOM 360 O GLU A 21 -10.052 -5.187 3.217 1.00 72.53 O ATOM 361 CB GLU A 21 -8.596 -6.499 6.040 1.00 54.24 C ATOM 362 CG GLU A 21 -8.290 -7.862 6.685 1.00 54.25 C ATOM 363 CD GLU A 21 -9.282 -8.965 6.277 1.00 51.23 C ATOM 364 OE1 GLU A 21 -10.438 -8.941 6.748 1.00 3.20 O ATOM 365 OE2 GLU A 21 -8.921 -9.862 5.493 1.00 43.40 O ATOM 0 H GLU A 21 -6.412 -6.711 4.888 1.00 14.01 H new ATOM 0 HA GLU A 21 -9.003 -7.303 4.059 1.00 54.42 H new ATOM 0 HB2 GLU A 21 -7.928 -5.752 6.468 1.00 54.24 H new ATOM 0 HB3 GLU A 21 -9.612 -6.207 6.305 1.00 54.24 H new ATOM 0 HG2 GLU A 21 -7.282 -8.169 6.408 1.00 54.25 H new ATOM 0 HG3 GLU A 21 -8.303 -7.754 7.770 1.00 54.25 H new ATOM 372 N ARG A 22 -8.399 -4.018 4.280 1.00 42.42 N ATOM 373 CA ARG A 22 -8.952 -2.664 4.047 1.00 61.21 C ATOM 374 C ARG A 22 -9.219 -2.403 2.557 1.00 51.32 C ATOM 375 O ARG A 22 -10.277 -1.898 2.203 1.00 23.13 O ATOM 376 CB ARG A 22 -8.010 -1.556 4.607 1.00 33.55 C ATOM 377 CG ARG A 22 -7.601 -1.741 6.086 1.00 72.13 C ATOM 378 CD ARG A 22 -8.789 -2.021 7.038 1.00 74.41 C ATOM 379 NE ARG A 22 -8.334 -2.585 8.324 1.00 33.52 N ATOM 380 CZ ARG A 22 -8.945 -3.584 8.989 1.00 43.23 C ATOM 381 NH1 ARG A 22 -10.055 -4.150 8.507 1.00 74.11 N ATOM 382 NH2 ARG A 22 -8.447 -4.009 10.135 1.00 23.43 N ATOM 0 H ARG A 22 -7.474 -4.014 4.711 1.00 42.42 H new ATOM 0 HA ARG A 22 -9.901 -2.625 4.582 1.00 61.21 H new ATOM 0 HB2 ARG A 22 -7.108 -1.523 3.996 1.00 33.55 H new ATOM 0 HB3 ARG A 22 -8.504 -0.590 4.499 1.00 33.55 H new ATOM 0 HG2 ARG A 22 -6.891 -2.565 6.155 1.00 72.13 H new ATOM 0 HG3 ARG A 22 -7.082 -0.844 6.424 1.00 72.13 H new ATOM 0 HD2 ARG A 22 -9.337 -1.096 7.219 1.00 74.41 H new ATOM 0 HD3 ARG A 22 -9.482 -2.714 6.561 1.00 74.41 H new ATOM 0 HE ARG A 22 -7.492 -2.188 8.741 1.00 33.52 H new ATOM 0 HH11 ARG A 22 -10.451 -3.826 7.624 1.00 74.11 H new ATOM 0 HH12 ARG A 22 -10.507 -4.906 9.022 1.00 74.11 H new ATOM 0 HH21 ARG A 22 -7.602 -3.581 10.514 1.00 23.43 H new ATOM 0 HH22 ARG A 22 -8.907 -4.765 10.642 1.00 23.43 H new ATOM 396 N LEU A 23 -8.264 -2.812 1.709 1.00 75.14 N ATOM 397 CA LEU A 23 -8.295 -2.549 0.255 1.00 4.10 C ATOM 398 C LEU A 23 -9.433 -3.333 -0.446 1.00 41.35 C ATOM 399 O LEU A 23 -10.013 -2.857 -1.430 1.00 41.23 O ATOM 400 CB LEU A 23 -6.908 -2.893 -0.362 1.00 45.12 C ATOM 401 CG LEU A 23 -5.687 -2.160 0.289 1.00 40.21 C ATOM 402 CD1 LEU A 23 -4.356 -2.561 -0.375 1.00 33.00 C ATOM 403 CD2 LEU A 23 -5.879 -0.634 0.293 1.00 1.43 C ATOM 0 H LEU A 23 -7.443 -3.337 2.010 1.00 75.14 H new ATOM 0 HA LEU A 23 -8.503 -1.491 0.097 1.00 4.10 H new ATOM 0 HB2 LEU A 23 -6.750 -3.969 -0.283 1.00 45.12 H new ATOM 0 HB3 LEU A 23 -6.931 -2.652 -1.425 1.00 45.12 H new ATOM 0 HG LEU A 23 -5.637 -2.485 1.328 1.00 40.21 H new ATOM 0 HD11 LEU A 23 -3.535 -2.030 0.106 1.00 33.00 H new ATOM 0 HD12 LEU A 23 -4.205 -3.635 -0.269 1.00 33.00 H new ATOM 0 HD13 LEU A 23 -4.385 -2.302 -1.433 1.00 33.00 H new ATOM 0 HD21 LEU A 23 -5.012 -0.159 0.752 1.00 1.43 H new ATOM 0 HD22 LEU A 23 -5.987 -0.278 -0.732 1.00 1.43 H new ATOM 0 HD23 LEU A 23 -6.774 -0.381 0.861 1.00 1.43 H new ATOM 415 N GLU A 24 -9.751 -4.523 0.094 1.00 43.31 N ATOM 416 CA GLU A 24 -10.878 -5.360 -0.382 1.00 51.50 C ATOM 417 C GLU A 24 -12.226 -4.825 0.152 1.00 65.24 C ATOM 418 O GLU A 24 -13.277 -5.068 -0.447 1.00 40.00 O ATOM 419 CB GLU A 24 -10.664 -6.837 0.050 1.00 40.20 C ATOM 420 CG GLU A 24 -9.404 -7.491 -0.558 1.00 33.22 C ATOM 421 CD GLU A 24 -9.147 -8.919 -0.050 1.00 14.41 C ATOM 422 OE1 GLU A 24 -8.736 -9.069 1.116 1.00 51.34 O ATOM 423 OE2 GLU A 24 -9.375 -9.899 -0.803 1.00 11.32 O ATOM 0 H GLU A 24 -9.237 -4.936 0.873 1.00 43.31 H new ATOM 0 HA GLU A 24 -10.908 -5.314 -1.471 1.00 51.50 H new ATOM 0 HB2 GLU A 24 -10.596 -6.881 1.137 1.00 40.20 H new ATOM 0 HB3 GLU A 24 -11.539 -7.420 -0.238 1.00 40.20 H new ATOM 0 HG2 GLU A 24 -9.504 -7.513 -1.643 1.00 33.22 H new ATOM 0 HG3 GLU A 24 -8.537 -6.871 -0.330 1.00 33.22 H new ATOM 430 N GLU A 25 -12.180 -4.103 1.283 1.00 3.00 N ATOM 431 CA GLU A 25 -13.367 -3.448 1.878 1.00 12.23 C ATOM 432 C GLU A 25 -13.619 -2.067 1.232 1.00 14.24 C ATOM 433 O GLU A 25 -14.735 -1.545 1.297 1.00 70.22 O ATOM 434 CB GLU A 25 -13.184 -3.302 3.410 1.00 31.34 C ATOM 435 CG GLU A 25 -13.021 -4.643 4.159 1.00 43.32 C ATOM 436 CD GLU A 25 -12.722 -4.465 5.653 1.00 45.33 C ATOM 437 OE1 GLU A 25 -11.578 -4.104 5.995 1.00 54.53 O ATOM 438 OE2 GLU A 25 -13.626 -4.665 6.497 1.00 12.52 O ATOM 0 H GLU A 25 -11.322 -3.954 1.814 1.00 3.00 H new ATOM 0 HA GLU A 25 -14.237 -4.075 1.684 1.00 12.23 H new ATOM 0 HB2 GLU A 25 -12.308 -2.682 3.603 1.00 31.34 H new ATOM 0 HB3 GLU A 25 -14.045 -2.773 3.819 1.00 31.34 H new ATOM 0 HG2 GLU A 25 -13.933 -5.230 4.044 1.00 43.32 H new ATOM 0 HG3 GLU A 25 -12.215 -5.214 3.699 1.00 43.32 H new ATOM 445 N GLU A 26 -12.567 -1.479 0.632 1.00 3.34 N ATOM 446 CA GLU A 26 -12.640 -0.176 -0.054 1.00 3.21 C ATOM 447 C GLU A 26 -13.099 -0.356 -1.512 1.00 64.21 C ATOM 448 O GLU A 26 -12.376 -0.924 -2.343 1.00 24.21 O ATOM 449 CB GLU A 26 -11.270 0.565 0.014 1.00 54.13 C ATOM 450 CG GLU A 26 -10.925 1.089 1.419 1.00 41.15 C ATOM 451 CD GLU A 26 -9.552 1.776 1.528 1.00 4.01 C ATOM 452 OE1 GLU A 26 -9.451 2.981 1.196 1.00 32.42 O ATOM 453 OE2 GLU A 26 -8.581 1.126 1.988 1.00 44.21 O ATOM 0 H GLU A 26 -11.637 -1.898 0.610 1.00 3.34 H new ATOM 0 HA GLU A 26 -13.378 0.440 0.460 1.00 3.21 H new ATOM 0 HB2 GLU A 26 -10.483 -0.113 -0.316 1.00 54.13 H new ATOM 0 HB3 GLU A 26 -11.283 1.402 -0.684 1.00 54.13 H new ATOM 0 HG2 GLU A 26 -11.695 1.795 1.728 1.00 41.15 H new ATOM 0 HG3 GLU A 26 -10.956 0.256 2.121 1.00 41.15 H new ATOM 460 N ARG A 27 -14.328 0.111 -1.789 1.00 2.23 N ATOM 461 CA ARG A 27 -14.923 0.131 -3.134 1.00 62.13 C ATOM 462 C ARG A 27 -14.280 1.266 -3.991 1.00 23.40 C ATOM 463 O ARG A 27 -13.803 2.257 -3.423 1.00 1.25 O ATOM 464 CB ARG A 27 -16.465 0.340 -3.018 1.00 21.03 C ATOM 465 CG ARG A 27 -17.224 -0.765 -2.244 1.00 13.54 C ATOM 466 CD ARG A 27 -17.185 -2.146 -2.928 1.00 50.44 C ATOM 467 NE ARG A 27 -17.958 -3.150 -2.173 1.00 22.14 N ATOM 468 CZ ARG A 27 -18.412 -4.321 -2.664 1.00 33.05 C ATOM 469 NH1 ARG A 27 -18.184 -4.669 -3.933 1.00 21.55 N ATOM 470 NH2 ARG A 27 -19.087 -5.146 -1.873 1.00 71.20 N ATOM 0 H ARG A 27 -14.945 0.491 -1.072 1.00 2.23 H new ATOM 0 HA ARG A 27 -14.730 -0.821 -3.628 1.00 62.13 H new ATOM 0 HB2 ARG A 27 -16.650 1.296 -2.529 1.00 21.03 H new ATOM 0 HB3 ARG A 27 -16.883 0.410 -4.022 1.00 21.03 H new ATOM 0 HG2 ARG A 27 -16.798 -0.853 -1.245 1.00 13.54 H new ATOM 0 HG3 ARG A 27 -18.263 -0.460 -2.121 1.00 13.54 H new ATOM 0 HD2 ARG A 27 -17.585 -2.063 -3.939 1.00 50.44 H new ATOM 0 HD3 ARG A 27 -16.151 -2.477 -3.021 1.00 50.44 H new ATOM 0 HE ARG A 27 -18.167 -2.941 -1.197 1.00 22.14 H new ATOM 0 HH11 ARG A 27 -17.659 -4.045 -4.546 1.00 21.55 H new ATOM 0 HH12 ARG A 27 -18.534 -5.558 -4.289 1.00 21.55 H new ATOM 0 HH21 ARG A 27 -19.260 -4.893 -0.900 1.00 71.20 H new ATOM 0 HH22 ARG A 27 -19.433 -6.033 -2.238 1.00 71.20 H new ATOM 484 N PRO A 28 -14.261 1.163 -5.367 1.00 74.10 N ATOM 485 CA PRO A 28 -14.834 0.029 -6.146 1.00 44.40 C ATOM 486 C PRO A 28 -13.894 -1.201 -6.238 1.00 12.44 C ATOM 487 O PRO A 28 -14.350 -2.343 -6.122 1.00 73.51 O ATOM 488 CB PRO A 28 -15.071 0.668 -7.533 1.00 44.02 C ATOM 489 CG PRO A 28 -13.973 1.681 -7.675 1.00 41.22 C ATOM 490 CD PRO A 28 -13.683 2.204 -6.271 1.00 62.12 C ATOM 0 HA PRO A 28 -15.731 -0.380 -5.681 1.00 44.40 H new ATOM 0 HB2 PRO A 28 -15.027 -0.078 -8.326 1.00 44.02 H new ATOM 0 HB3 PRO A 28 -16.053 1.137 -7.591 1.00 44.02 H new ATOM 0 HG2 PRO A 28 -13.083 1.229 -8.113 1.00 41.22 H new ATOM 0 HG3 PRO A 28 -14.277 2.492 -8.336 1.00 41.22 H new ATOM 0 HD2 PRO A 28 -12.613 2.327 -6.105 1.00 62.12 H new ATOM 0 HD3 PRO A 28 -14.145 3.177 -6.105 1.00 62.12 H new ATOM 498 N SER A 29 -12.591 -0.943 -6.439 1.00 13.50 N ATOM 499 CA SER A 29 -11.579 -1.976 -6.627 1.00 55.05 C ATOM 500 C SER A 29 -10.194 -1.348 -6.472 1.00 25.41 C ATOM 501 O SER A 29 -9.873 -0.363 -7.154 1.00 64.24 O ATOM 502 CB SER A 29 -11.714 -2.632 -8.026 1.00 32.33 C ATOM 503 OG SER A 29 -10.739 -3.647 -8.230 1.00 32.02 O ATOM 0 H SER A 29 -12.214 0.004 -6.475 1.00 13.50 H new ATOM 0 HA SER A 29 -11.719 -2.754 -5.876 1.00 55.05 H new ATOM 0 HB2 SER A 29 -12.711 -3.059 -8.132 1.00 32.33 H new ATOM 0 HB3 SER A 29 -11.611 -1.868 -8.797 1.00 32.33 H new ATOM 0 HG SER A 29 -10.856 -4.039 -9.121 1.00 32.02 H new ATOM 509 N VAL A 30 -9.390 -1.902 -5.557 1.00 12.21 N ATOM 510 CA VAL A 30 -7.996 -1.493 -5.358 1.00 12.35 C ATOM 511 C VAL A 30 -7.076 -2.572 -5.953 1.00 3.44 C ATOM 512 O VAL A 30 -7.097 -3.721 -5.499 1.00 64.45 O ATOM 513 CB VAL A 30 -7.664 -1.277 -3.832 1.00 34.30 C ATOM 514 CG1 VAL A 30 -6.187 -0.851 -3.632 1.00 52.02 C ATOM 515 CG2 VAL A 30 -8.637 -0.254 -3.191 1.00 51.52 C ATOM 0 H VAL A 30 -9.690 -2.650 -4.931 1.00 12.21 H new ATOM 0 HA VAL A 30 -7.836 -0.540 -5.861 1.00 12.35 H new ATOM 0 HB VAL A 30 -7.801 -2.231 -3.323 1.00 34.30 H new ATOM 0 HG11 VAL A 30 -5.990 -0.710 -2.569 1.00 52.02 H new ATOM 0 HG12 VAL A 30 -5.528 -1.626 -4.024 1.00 52.02 H new ATOM 0 HG13 VAL A 30 -6.003 0.083 -4.162 1.00 52.02 H new ATOM 0 HG21 VAL A 30 -8.386 -0.123 -2.138 1.00 51.52 H new ATOM 0 HG22 VAL A 30 -8.550 0.703 -3.706 1.00 51.52 H new ATOM 0 HG23 VAL A 30 -9.660 -0.621 -3.277 1.00 51.52 H new ATOM 525 N GLN A 31 -6.307 -2.204 -6.988 1.00 55.55 N ATOM 526 CA GLN A 31 -5.300 -3.090 -7.593 1.00 23.02 C ATOM 527 C GLN A 31 -4.025 -3.042 -6.741 1.00 43.12 C ATOM 528 O GLN A 31 -3.425 -1.974 -6.595 1.00 22.25 O ATOM 529 CB GLN A 31 -4.992 -2.653 -9.055 1.00 12.41 C ATOM 530 CG GLN A 31 -6.214 -2.683 -9.995 1.00 54.33 C ATOM 531 CD GLN A 31 -5.919 -2.187 -11.414 1.00 23.42 C ATOM 532 OE1 GLN A 31 -5.036 -1.353 -11.629 1.00 50.35 O ATOM 533 NE2 GLN A 31 -6.681 -2.662 -12.383 1.00 20.22 N ATOM 0 H GLN A 31 -6.365 -1.286 -7.429 1.00 55.55 H new ATOM 0 HA GLN A 31 -5.684 -4.110 -7.623 1.00 23.02 H new ATOM 0 HB2 GLN A 31 -4.583 -1.643 -9.042 1.00 12.41 H new ATOM 0 HB3 GLN A 31 -4.219 -3.305 -9.462 1.00 12.41 H new ATOM 0 HG2 GLN A 31 -6.593 -3.703 -10.049 1.00 54.33 H new ATOM 0 HG3 GLN A 31 -7.006 -2.071 -9.564 1.00 54.33 H new ATOM 0 HE21 GLN A 31 -7.403 -3.351 -12.173 1.00 20.22 H new ATOM 0 HE22 GLN A 31 -6.547 -2.340 -13.341 1.00 20.22 H new ATOM 542 N TYR A 32 -3.640 -4.184 -6.156 1.00 73.32 N ATOM 543 CA TYR A 32 -2.434 -4.281 -5.313 1.00 61.24 C ATOM 544 C TYR A 32 -1.783 -5.666 -5.443 1.00 5.45 C ATOM 545 O TYR A 32 -2.446 -6.643 -5.815 1.00 42.43 O ATOM 546 CB TYR A 32 -2.767 -3.954 -3.830 1.00 14.01 C ATOM 547 CG TYR A 32 -3.706 -4.952 -3.124 1.00 21.45 C ATOM 548 CD1 TYR A 32 -5.088 -4.925 -3.340 1.00 22.33 C ATOM 549 CD2 TYR A 32 -3.213 -5.900 -2.225 1.00 63.50 C ATOM 550 CE1 TYR A 32 -5.931 -5.817 -2.702 1.00 44.10 C ATOM 551 CE2 TYR A 32 -4.056 -6.791 -1.590 1.00 71.10 C ATOM 552 CZ TYR A 32 -5.406 -6.742 -1.823 1.00 20.51 C ATOM 553 OH TYR A 32 -6.241 -7.629 -1.184 1.00 72.14 O ATOM 0 H TYR A 32 -4.149 -5.063 -6.251 1.00 73.32 H new ATOM 0 HA TYR A 32 -1.715 -3.541 -5.665 1.00 61.24 H new ATOM 0 HB2 TYR A 32 -1.834 -3.902 -3.269 1.00 14.01 H new ATOM 0 HB3 TYR A 32 -3.220 -2.964 -3.788 1.00 14.01 H new ATOM 0 HD1 TYR A 32 -5.504 -4.194 -4.017 1.00 22.33 H new ATOM 0 HD2 TYR A 32 -2.153 -5.937 -2.022 1.00 63.50 H new ATOM 0 HE1 TYR A 32 -6.994 -5.790 -2.891 1.00 44.10 H new ATOM 0 HE2 TYR A 32 -3.652 -7.526 -0.910 1.00 71.10 H new ATOM 0 HH TYR A 32 -5.892 -8.539 -1.287 1.00 72.14 H new ATOM 563 N THR A 33 -0.474 -5.732 -5.138 1.00 73.45 N ATOM 564 CA THR A 33 0.314 -6.970 -5.195 1.00 22.10 C ATOM 565 C THR A 33 1.395 -6.950 -4.102 1.00 71.51 C ATOM 566 O THR A 33 2.313 -6.131 -4.155 1.00 70.34 O ATOM 567 CB THR A 33 0.995 -7.140 -6.599 1.00 62.14 C ATOM 568 OG1 THR A 33 0.002 -7.063 -7.633 1.00 13.41 O ATOM 569 CG2 THR A 33 1.759 -8.475 -6.723 1.00 2.30 C ATOM 0 H THR A 33 0.068 -4.920 -4.843 1.00 73.45 H new ATOM 0 HA THR A 33 -0.361 -7.810 -5.032 1.00 22.10 H new ATOM 0 HB THR A 33 1.719 -6.332 -6.707 1.00 62.14 H new ATOM 0 HG1 THR A 33 0.432 -7.168 -8.508 1.00 13.41 H new ATOM 0 HG21 THR A 33 2.212 -8.545 -7.712 1.00 2.30 H new ATOM 0 HG22 THR A 33 2.539 -8.520 -5.963 1.00 2.30 H new ATOM 0 HG23 THR A 33 1.067 -9.305 -6.582 1.00 2.30 H new ATOM 577 N GLU A 34 1.278 -7.848 -3.117 1.00 71.43 N ATOM 578 CA GLU A 34 2.312 -8.042 -2.085 1.00 11.41 C ATOM 579 C GLU A 34 3.357 -9.049 -2.621 1.00 74.53 C ATOM 580 O GLU A 34 2.992 -10.094 -3.164 1.00 65.35 O ATOM 581 CB GLU A 34 1.645 -8.531 -0.757 1.00 73.41 C ATOM 582 CG GLU A 34 2.474 -8.304 0.537 1.00 10.31 C ATOM 583 CD GLU A 34 3.697 -9.230 0.708 1.00 43.02 C ATOM 584 OE1 GLU A 34 3.510 -10.391 1.103 1.00 2.21 O ATOM 585 OE2 GLU A 34 4.836 -8.813 0.428 1.00 74.02 O ATOM 0 H GLU A 34 0.469 -8.460 -3.010 1.00 71.43 H new ATOM 0 HA GLU A 34 2.822 -7.105 -1.862 1.00 11.41 H new ATOM 0 HB2 GLU A 34 0.686 -8.025 -0.646 1.00 73.41 H new ATOM 0 HB3 GLU A 34 1.434 -9.596 -0.849 1.00 73.41 H new ATOM 0 HG2 GLU A 34 2.817 -7.270 0.552 1.00 10.31 H new ATOM 0 HG3 GLU A 34 1.817 -8.434 1.397 1.00 10.31 H new ATOM 592 N THR A 35 4.651 -8.715 -2.470 1.00 14.40 N ATOM 593 CA THR A 35 5.780 -9.511 -2.979 1.00 42.13 C ATOM 594 C THR A 35 6.952 -9.421 -1.981 1.00 20.15 C ATOM 595 O THR A 35 7.614 -8.386 -1.881 1.00 10.21 O ATOM 596 CB THR A 35 6.225 -8.999 -4.400 1.00 51.14 C ATOM 597 OG1 THR A 35 5.144 -9.157 -5.338 1.00 41.14 O ATOM 598 CG2 THR A 35 7.483 -9.729 -4.928 1.00 2.54 C ATOM 0 H THR A 35 4.946 -7.869 -1.982 1.00 14.40 H new ATOM 0 HA THR A 35 5.470 -10.551 -3.081 1.00 42.13 H new ATOM 0 HB THR A 35 6.481 -7.945 -4.295 1.00 51.14 H new ATOM 0 HG1 THR A 35 5.426 -8.835 -6.220 1.00 41.14 H new ATOM 0 HG21 THR A 35 7.746 -9.337 -5.911 1.00 2.54 H new ATOM 0 HG22 THR A 35 8.313 -9.568 -4.240 1.00 2.54 H new ATOM 0 HG23 THR A 35 7.278 -10.797 -5.006 1.00 2.54 H new ATOM 606 N THR A 36 7.187 -10.509 -1.240 1.00 71.53 N ATOM 607 CA THR A 36 8.276 -10.593 -0.264 1.00 32.44 C ATOM 608 C THR A 36 9.587 -10.968 -0.982 1.00 13.43 C ATOM 609 O THR A 36 9.796 -12.132 -1.355 1.00 63.30 O ATOM 610 CB THR A 36 7.927 -11.633 0.847 1.00 21.14 C ATOM 611 OG1 THR A 36 6.652 -11.300 1.441 1.00 64.22 O ATOM 612 CG2 THR A 36 9.012 -11.690 1.945 1.00 40.51 C ATOM 0 H THR A 36 6.625 -11.358 -1.301 1.00 71.53 H new ATOM 0 HA THR A 36 8.408 -9.623 0.215 1.00 32.44 H new ATOM 0 HB THR A 36 7.877 -12.616 0.378 1.00 21.14 H new ATOM 0 HG1 THR A 36 6.142 -12.121 1.602 1.00 64.22 H new ATOM 0 HG21 THR A 36 8.730 -12.426 2.698 1.00 40.51 H new ATOM 0 HG22 THR A 36 9.966 -11.974 1.500 1.00 40.51 H new ATOM 0 HG23 THR A 36 9.108 -10.710 2.413 1.00 40.51 H new ATOM 620 N ARG A 37 10.445 -9.968 -1.219 1.00 10.42 N ATOM 621 CA ARG A 37 11.738 -10.159 -1.898 1.00 53.42 C ATOM 622 C ARG A 37 12.890 -9.922 -0.906 1.00 20.33 C ATOM 623 O ARG A 37 13.059 -8.799 -0.411 1.00 12.20 O ATOM 624 CB ARG A 37 11.868 -9.206 -3.119 1.00 34.43 C ATOM 625 CG ARG A 37 13.054 -9.556 -4.055 1.00 43.41 C ATOM 626 CD ARG A 37 12.862 -10.919 -4.761 1.00 64.50 C ATOM 627 NE ARG A 37 14.095 -11.395 -5.411 1.00 64.13 N ATOM 628 CZ ARG A 37 14.150 -12.374 -6.334 1.00 71.32 C ATOM 629 NH1 ARG A 37 13.041 -12.990 -6.746 1.00 60.54 N ATOM 630 NH2 ARG A 37 15.321 -12.751 -6.828 1.00 51.20 N ATOM 0 H ARG A 37 10.265 -9.002 -0.946 1.00 10.42 H new ATOM 0 HA ARG A 37 11.790 -11.184 -2.264 1.00 53.42 H new ATOM 0 HB2 ARG A 37 10.942 -9.236 -3.693 1.00 34.43 H new ATOM 0 HB3 ARG A 37 11.988 -8.184 -2.760 1.00 34.43 H new ATOM 0 HG2 ARG A 37 13.165 -8.773 -4.805 1.00 43.41 H new ATOM 0 HG3 ARG A 37 13.977 -9.576 -3.476 1.00 43.41 H new ATOM 0 HD2 ARG A 37 12.530 -11.659 -4.032 1.00 64.50 H new ATOM 0 HD3 ARG A 37 12.072 -10.830 -5.507 1.00 64.50 H new ATOM 0 HE ARG A 37 14.973 -10.950 -5.142 1.00 64.13 H new ATOM 0 HH11 ARG A 37 12.135 -12.721 -6.361 1.00 60.54 H new ATOM 0 HH12 ARG A 37 13.099 -13.730 -7.446 1.00 60.54 H new ATOM 0 HH21 ARG A 37 16.178 -12.300 -6.509 1.00 51.20 H new ATOM 0 HH22 ARG A 37 15.365 -13.492 -7.527 1.00 51.20 H new ATOM 644 N ASN A 38 13.659 -11.000 -0.610 1.00 33.42 N ATOM 645 CA ASN A 38 14.850 -10.968 0.290 1.00 32.25 C ATOM 646 C ASN A 38 14.457 -10.598 1.734 1.00 32.22 C ATOM 647 O ASN A 38 15.293 -10.134 2.524 1.00 52.32 O ATOM 648 CB ASN A 38 15.939 -10.004 -0.268 1.00 23.21 C ATOM 649 CG ASN A 38 16.472 -10.427 -1.638 1.00 3.53 C ATOM 650 OD1 ASN A 38 16.736 -11.608 -1.884 1.00 55.42 O ATOM 651 ND2 ASN A 38 16.577 -9.486 -2.554 1.00 31.14 N ATOM 0 H ASN A 38 13.472 -11.927 -0.991 1.00 33.42 H new ATOM 0 HA ASN A 38 15.274 -11.972 0.319 1.00 32.25 H new ATOM 0 HB2 ASN A 38 15.523 -8.999 -0.341 1.00 23.21 H new ATOM 0 HB3 ASN A 38 16.768 -9.955 0.438 1.00 23.21 H new ATOM 0 HD21 ASN A 38 16.884 -9.724 -3.497 1.00 31.14 H new ATOM 0 HD22 ASN A 38 16.352 -8.519 -2.320 1.00 31.14 H new ATOM 658 N GLY A 39 13.178 -10.839 2.074 1.00 42.31 N ATOM 659 CA GLY A 39 12.638 -10.522 3.396 1.00 71.32 C ATOM 660 C GLY A 39 11.860 -9.219 3.406 1.00 51.31 C ATOM 661 O GLY A 39 11.026 -8.993 4.294 1.00 54.02 O ATOM 0 H GLY A 39 12.498 -11.257 1.439 1.00 42.31 H new ATOM 0 HA2 GLY A 39 11.988 -11.333 3.724 1.00 71.32 H new ATOM 0 HA3 GLY A 39 13.456 -10.459 4.114 1.00 71.32 H new ATOM 665 N ARG A 40 12.142 -8.347 2.420 1.00 54.11 N ATOM 666 CA ARG A 40 11.480 -7.050 2.280 1.00 61.30 C ATOM 667 C ARG A 40 10.160 -7.242 1.524 1.00 34.10 C ATOM 668 O ARG A 40 10.156 -7.475 0.312 1.00 63.32 O ATOM 669 CB ARG A 40 12.396 -6.044 1.535 1.00 32.33 C ATOM 670 CG ARG A 40 13.731 -5.759 2.255 1.00 71.23 C ATOM 671 CD ARG A 40 14.675 -4.874 1.427 1.00 4.21 C ATOM 672 NE ARG A 40 15.929 -4.570 2.149 1.00 0.31 N ATOM 673 CZ ARG A 40 17.132 -4.388 1.571 1.00 52.13 C ATOM 674 NH1 ARG A 40 17.275 -4.484 0.247 1.00 54.34 N ATOM 675 NH2 ARG A 40 18.184 -4.086 2.322 1.00 51.24 N ATOM 0 H ARG A 40 12.839 -8.529 1.698 1.00 54.11 H new ATOM 0 HA ARG A 40 11.275 -6.641 3.269 1.00 61.30 H new ATOM 0 HB2 ARG A 40 12.608 -6.431 0.538 1.00 32.33 H new ATOM 0 HB3 ARG A 40 11.857 -5.105 1.405 1.00 32.33 H new ATOM 0 HG2 ARG A 40 13.528 -5.273 3.209 1.00 71.23 H new ATOM 0 HG3 ARG A 40 14.228 -6.703 2.478 1.00 71.23 H new ATOM 0 HD2 ARG A 40 14.910 -5.375 0.488 1.00 4.21 H new ATOM 0 HD3 ARG A 40 14.169 -3.943 1.173 1.00 4.21 H new ATOM 0 HE ARG A 40 15.879 -4.492 3.165 1.00 0.31 H new ATOM 0 HH11 ARG A 40 16.468 -4.697 -0.339 1.00 54.34 H new ATOM 0 HH12 ARG A 40 18.191 -4.344 -0.178 1.00 54.34 H new ATOM 0 HH21 ARG A 40 18.079 -3.993 3.332 1.00 51.24 H new ATOM 0 HH22 ARG A 40 19.097 -3.947 1.889 1.00 51.24 H new ATOM 689 N ARG A 41 9.062 -7.178 2.265 1.00 22.03 N ATOM 690 CA ARG A 41 7.712 -7.324 1.733 1.00 14.42 C ATOM 691 C ARG A 41 7.275 -6.003 1.084 1.00 73.23 C ATOM 692 O ARG A 41 7.092 -5.018 1.791 1.00 10.24 O ATOM 693 CB ARG A 41 6.750 -7.714 2.893 1.00 2.01 C ATOM 694 CG ARG A 41 7.202 -8.933 3.718 1.00 43.05 C ATOM 695 CD ARG A 41 6.174 -9.354 4.790 1.00 11.32 C ATOM 696 NE ARG A 41 6.706 -10.381 5.715 1.00 53.52 N ATOM 697 CZ ARG A 41 6.891 -11.687 5.426 1.00 24.22 C ATOM 698 NH1 ARG A 41 6.594 -12.183 4.228 1.00 44.21 N ATOM 699 NH2 ARG A 41 7.378 -12.495 6.354 1.00 75.31 N ATOM 0 H ARG A 41 9.084 -7.020 3.272 1.00 22.03 H new ATOM 0 HA ARG A 41 7.687 -8.107 0.975 1.00 14.42 H new ATOM 0 HB2 ARG A 41 6.642 -6.859 3.561 1.00 2.01 H new ATOM 0 HB3 ARG A 41 5.764 -7.919 2.476 1.00 2.01 H new ATOM 0 HG2 ARG A 41 7.382 -9.772 3.046 1.00 43.05 H new ATOM 0 HG3 ARG A 41 8.151 -8.704 4.203 1.00 43.05 H new ATOM 0 HD2 ARG A 41 5.871 -8.477 5.362 1.00 11.32 H new ATOM 0 HD3 ARG A 41 5.280 -9.740 4.300 1.00 11.32 H new ATOM 0 HE ARG A 41 6.955 -10.074 6.655 1.00 53.52 H new ATOM 0 HH11 ARG A 41 6.217 -11.573 3.503 1.00 44.21 H new ATOM 0 HH12 ARG A 41 6.743 -13.173 4.035 1.00 44.21 H new ATOM 0 HH21 ARG A 41 7.610 -12.130 7.278 1.00 75.31 H new ATOM 0 HH22 ARG A 41 7.521 -13.483 6.146 1.00 75.31 H new ATOM 713 N GLN A 42 7.145 -5.965 -0.252 1.00 22.10 N ATOM 714 CA GLN A 42 6.663 -4.769 -0.967 1.00 75.34 C ATOM 715 C GLN A 42 5.192 -4.964 -1.366 1.00 13.23 C ATOM 716 O GLN A 42 4.853 -5.882 -2.112 1.00 73.21 O ATOM 717 CB GLN A 42 7.545 -4.424 -2.209 1.00 25.25 C ATOM 718 CG GLN A 42 7.655 -5.510 -3.300 1.00 12.43 C ATOM 719 CD GLN A 42 8.367 -5.026 -4.564 1.00 25.22 C ATOM 720 OE1 GLN A 42 9.591 -5.121 -4.683 1.00 63.53 O ATOM 721 NE2 GLN A 42 7.605 -4.487 -5.514 1.00 14.04 N ATOM 0 H GLN A 42 7.368 -6.752 -0.862 1.00 22.10 H new ATOM 0 HA GLN A 42 6.741 -3.918 -0.291 1.00 75.34 H new ATOM 0 HB2 GLN A 42 7.148 -3.519 -2.668 1.00 25.25 H new ATOM 0 HB3 GLN A 42 8.550 -4.190 -1.859 1.00 25.25 H new ATOM 0 HG2 GLN A 42 8.191 -6.369 -2.896 1.00 12.43 H new ATOM 0 HG3 GLN A 42 6.655 -5.853 -3.563 1.00 12.43 H new ATOM 0 HE21 GLN A 42 6.595 -4.424 -5.383 1.00 14.04 H new ATOM 0 HE22 GLN A 42 8.031 -4.137 -6.372 1.00 14.04 H new ATOM 730 N LEU A 43 4.314 -4.105 -0.841 1.00 44.31 N ATOM 731 CA LEU A 43 2.901 -4.083 -1.213 1.00 43.45 C ATOM 732 C LEU A 43 2.734 -2.921 -2.208 1.00 51.22 C ATOM 733 O LEU A 43 2.833 -1.753 -1.827 1.00 72.11 O ATOM 734 CB LEU A 43 2.011 -3.915 0.069 1.00 41.34 C ATOM 735 CG LEU A 43 0.574 -4.539 0.025 1.00 51.43 C ATOM 736 CD1 LEU A 43 -0.126 -4.434 1.397 1.00 24.02 C ATOM 737 CD2 LEU A 43 -0.289 -3.906 -1.077 1.00 32.43 C ATOM 0 H LEU A 43 4.566 -3.404 -0.144 1.00 44.31 H new ATOM 0 HA LEU A 43 2.581 -5.014 -1.680 1.00 43.45 H new ATOM 0 HB2 LEU A 43 2.545 -4.354 0.912 1.00 41.34 H new ATOM 0 HB3 LEU A 43 1.911 -2.849 0.275 1.00 41.34 H new ATOM 0 HG LEU A 43 0.692 -5.596 -0.215 1.00 51.43 H new ATOM 0 HD11 LEU A 43 -1.120 -4.876 1.333 1.00 24.02 H new ATOM 0 HD12 LEU A 43 0.460 -4.967 2.146 1.00 24.02 H new ATOM 0 HD13 LEU A 43 -0.212 -3.385 1.682 1.00 24.02 H new ATOM 0 HD21 LEU A 43 -1.277 -4.366 -1.074 1.00 32.43 H new ATOM 0 HD22 LEU A 43 -0.386 -2.836 -0.893 1.00 32.43 H new ATOM 0 HD23 LEU A 43 0.183 -4.066 -2.046 1.00 32.43 H new ATOM 749 N THR A 44 2.504 -3.262 -3.480 1.00 23.53 N ATOM 750 CA THR A 44 2.480 -2.306 -4.589 1.00 2.01 C ATOM 751 C THR A 44 1.028 -2.023 -4.997 1.00 44.12 C ATOM 752 O THR A 44 0.379 -2.852 -5.637 1.00 41.43 O ATOM 753 CB THR A 44 3.305 -2.869 -5.797 1.00 44.40 C ATOM 754 OG1 THR A 44 4.644 -3.183 -5.359 1.00 20.50 O ATOM 755 CG2 THR A 44 3.380 -1.878 -6.976 1.00 63.41 C ATOM 0 H THR A 44 2.327 -4.223 -3.771 1.00 23.53 H new ATOM 0 HA THR A 44 2.937 -1.368 -4.273 1.00 2.01 H new ATOM 0 HB THR A 44 2.792 -3.763 -6.150 1.00 44.40 H new ATOM 0 HG1 THR A 44 5.268 -3.071 -6.107 1.00 20.50 H new ATOM 0 HG21 THR A 44 3.963 -2.319 -7.785 1.00 63.41 H new ATOM 0 HG22 THR A 44 2.373 -1.659 -7.332 1.00 63.41 H new ATOM 0 HG23 THR A 44 3.857 -0.955 -6.646 1.00 63.41 H new ATOM 763 N ILE A 45 0.537 -0.844 -4.599 1.00 73.33 N ATOM 764 CA ILE A 45 -0.824 -0.375 -4.877 1.00 54.01 C ATOM 765 C ILE A 45 -0.788 0.589 -6.074 1.00 14.22 C ATOM 766 O ILE A 45 0.066 1.474 -6.127 1.00 45.44 O ATOM 767 CB ILE A 45 -1.422 0.364 -3.621 1.00 25.34 C ATOM 768 CG1 ILE A 45 -1.329 -0.548 -2.360 1.00 52.40 C ATOM 769 CG2 ILE A 45 -2.881 0.826 -3.877 1.00 51.15 C ATOM 770 CD1 ILE A 45 -1.759 0.109 -1.065 1.00 72.23 C ATOM 0 H ILE A 45 1.088 -0.174 -4.062 1.00 73.33 H new ATOM 0 HA ILE A 45 -1.456 -1.233 -5.107 1.00 54.01 H new ATOM 0 HB ILE A 45 -0.829 1.260 -3.439 1.00 25.34 H new ATOM 0 HG12 ILE A 45 -1.944 -1.433 -2.523 1.00 52.40 H new ATOM 0 HG13 ILE A 45 -0.300 -0.891 -2.252 1.00 52.40 H new ATOM 0 HG21 ILE A 45 -3.263 1.332 -2.991 1.00 51.15 H new ATOM 0 HG22 ILE A 45 -2.902 1.512 -4.724 1.00 51.15 H new ATOM 0 HG23 ILE A 45 -3.504 -0.041 -4.097 1.00 51.15 H new ATOM 0 HD11 ILE A 45 -1.659 -0.603 -0.245 1.00 72.23 H new ATOM 0 HD12 ILE A 45 -1.129 0.977 -0.871 1.00 72.23 H new ATOM 0 HD13 ILE A 45 -2.799 0.426 -1.146 1.00 72.23 H new ATOM 782 N ARG A 46 -1.703 0.402 -7.031 1.00 61.23 N ATOM 783 CA ARG A 46 -1.831 1.258 -8.224 1.00 11.33 C ATOM 784 C ARG A 46 -3.311 1.582 -8.471 1.00 22.31 C ATOM 785 O ARG A 46 -4.183 0.712 -8.348 1.00 43.43 O ATOM 786 CB ARG A 46 -1.197 0.562 -9.464 1.00 32.24 C ATOM 787 CG ARG A 46 0.345 0.532 -9.442 1.00 32.25 C ATOM 788 CD ARG A 46 0.951 -0.315 -10.571 1.00 44.03 C ATOM 789 NE ARG A 46 0.606 -1.748 -10.447 1.00 20.31 N ATOM 790 CZ ARG A 46 1.492 -2.763 -10.391 1.00 3.21 C ATOM 791 NH1 ARG A 46 2.806 -2.525 -10.450 1.00 53.45 N ATOM 792 NH2 ARG A 46 1.059 -4.011 -10.289 1.00 13.32 N ATOM 0 H ARG A 46 -2.385 -0.356 -7.002 1.00 61.23 H new ATOM 0 HA ARG A 46 -1.294 2.191 -8.055 1.00 11.33 H new ATOM 0 HB2 ARG A 46 -1.570 -0.460 -9.525 1.00 32.24 H new ATOM 0 HB3 ARG A 46 -1.528 1.076 -10.366 1.00 32.24 H new ATOM 0 HG2 ARG A 46 0.723 1.552 -9.519 1.00 32.25 H new ATOM 0 HG3 ARG A 46 0.680 0.139 -8.482 1.00 32.25 H new ATOM 0 HD2 ARG A 46 0.598 0.059 -11.532 1.00 44.03 H new ATOM 0 HD3 ARG A 46 2.035 -0.203 -10.564 1.00 44.03 H new ATOM 0 HE ARG A 46 -0.384 -1.988 -10.400 1.00 20.31 H new ATOM 0 HH11 ARG A 46 3.147 -1.568 -10.538 1.00 53.45 H new ATOM 0 HH12 ARG A 46 3.467 -3.300 -10.407 1.00 53.45 H new ATOM 0 HH21 ARG A 46 0.058 -4.202 -10.253 1.00 13.32 H new ATOM 0 HH22 ARG A 46 1.727 -4.781 -10.246 1.00 13.32 H new ATOM 806 N SER A 47 -3.566 2.849 -8.806 1.00 43.04 N ATOM 807 CA SER A 47 -4.904 3.362 -9.113 1.00 33.13 C ATOM 808 C SER A 47 -4.787 4.430 -10.210 1.00 64.23 C ATOM 809 O SER A 47 -3.671 4.828 -10.583 1.00 73.54 O ATOM 810 CB SER A 47 -5.547 3.923 -7.828 1.00 41.55 C ATOM 811 OG SER A 47 -4.776 4.976 -7.295 1.00 64.35 O ATOM 0 H SER A 47 -2.837 3.559 -8.873 1.00 43.04 H new ATOM 0 HA SER A 47 -5.548 2.564 -9.482 1.00 33.13 H new ATOM 0 HB2 SER A 47 -6.554 4.279 -8.047 1.00 41.55 H new ATOM 0 HB3 SER A 47 -5.644 3.128 -7.089 1.00 41.55 H new ATOM 0 HG SER A 47 -4.473 4.736 -6.394 1.00 64.35 H new ATOM 817 N ASN A 48 -5.934 4.902 -10.727 1.00 65.12 N ATOM 818 CA ASN A 48 -5.977 5.787 -11.918 1.00 40.23 C ATOM 819 C ASN A 48 -6.561 7.175 -11.590 1.00 34.35 C ATOM 820 O ASN A 48 -6.876 7.949 -12.504 1.00 64.01 O ATOM 821 CB ASN A 48 -6.782 5.085 -13.050 1.00 42.53 C ATOM 822 CG ASN A 48 -8.236 4.782 -12.673 1.00 0.02 C ATOM 823 OD1 ASN A 48 -9.144 5.542 -12.991 1.00 1.44 O ATOM 824 ND2 ASN A 48 -8.463 3.679 -11.978 1.00 52.42 N ATOM 0 H ASN A 48 -6.853 4.687 -10.340 1.00 65.12 H new ATOM 0 HA ASN A 48 -4.956 5.960 -12.257 1.00 40.23 H new ATOM 0 HB2 ASN A 48 -6.770 5.717 -13.938 1.00 42.53 H new ATOM 0 HB3 ASN A 48 -6.283 4.153 -13.315 1.00 42.53 H new ATOM 0 HD21 ASN A 48 -9.413 3.442 -11.693 1.00 52.42 H new ATOM 0 HD22 ASN A 48 -7.688 3.065 -11.728 1.00 52.42 H new ATOM 831 N ASP A 49 -6.654 7.501 -10.288 1.00 64.04 N ATOM 832 CA ASP A 49 -7.192 8.789 -9.802 1.00 13.03 C ATOM 833 C ASP A 49 -6.333 9.305 -8.635 1.00 5.33 C ATOM 834 O ASP A 49 -5.877 8.508 -7.807 1.00 62.52 O ATOM 835 CB ASP A 49 -8.673 8.628 -9.370 1.00 2.23 C ATOM 836 CG ASP A 49 -9.305 9.947 -8.883 1.00 15.03 C ATOM 837 OD1 ASP A 49 -9.619 10.804 -9.734 1.00 33.04 O ATOM 838 OD2 ASP A 49 -9.460 10.145 -7.657 1.00 3.05 O ATOM 0 H ASP A 49 -6.357 6.877 -9.538 1.00 64.04 H new ATOM 0 HA ASP A 49 -7.155 9.519 -10.610 1.00 13.03 H new ATOM 0 HB2 ASP A 49 -9.251 8.243 -10.210 1.00 2.23 H new ATOM 0 HB3 ASP A 49 -8.735 7.886 -8.574 1.00 2.23 H new ATOM 843 N LYS A 50 -6.139 10.642 -8.576 1.00 35.00 N ATOM 844 CA LYS A 50 -5.269 11.305 -7.588 1.00 13.12 C ATOM 845 C LYS A 50 -5.840 11.150 -6.166 1.00 72.33 C ATOM 846 O LYS A 50 -5.104 10.853 -5.233 1.00 54.03 O ATOM 847 CB LYS A 50 -5.086 12.811 -7.970 1.00 21.14 C ATOM 848 CG LYS A 50 -3.809 13.515 -7.409 1.00 45.03 C ATOM 849 CD LYS A 50 -3.853 13.879 -5.903 1.00 60.21 C ATOM 850 CE LYS A 50 -4.936 14.918 -5.573 1.00 23.13 C ATOM 851 NZ LYS A 50 -4.885 15.335 -4.144 1.00 62.01 N ATOM 0 H LYS A 50 -6.587 11.293 -9.220 1.00 35.00 H new ATOM 0 HA LYS A 50 -4.290 10.827 -7.598 1.00 13.12 H new ATOM 0 HB2 LYS A 50 -5.071 12.889 -9.057 1.00 21.14 H new ATOM 0 HB3 LYS A 50 -5.961 13.361 -7.623 1.00 21.14 H new ATOM 0 HG2 LYS A 50 -2.951 12.865 -7.583 1.00 45.03 H new ATOM 0 HG3 LYS A 50 -3.638 14.427 -7.980 1.00 45.03 H new ATOM 0 HD2 LYS A 50 -4.033 12.975 -5.321 1.00 60.21 H new ATOM 0 HD3 LYS A 50 -2.880 14.266 -5.599 1.00 60.21 H new ATOM 0 HE2 LYS A 50 -4.808 15.792 -6.212 1.00 23.13 H new ATOM 0 HE3 LYS A 50 -5.919 14.502 -5.795 1.00 23.13 H new ATOM 0 HZ1 LYS A 50 -5.631 16.036 -3.960 1.00 62.01 H new ATOM 0 HZ2 LYS A 50 -5.032 14.505 -3.535 1.00 62.01 H new ATOM 0 HZ3 LYS A 50 -3.956 15.755 -3.938 1.00 62.01 H new ATOM 865 N ASN A 51 -7.157 11.347 -6.020 1.00 4.41 N ATOM 866 CA ASN A 51 -7.835 11.287 -4.701 1.00 0.14 C ATOM 867 C ASN A 51 -7.889 9.832 -4.196 1.00 63.15 C ATOM 868 O ASN A 51 -7.756 9.568 -3.002 1.00 34.44 O ATOM 869 CB ASN A 51 -9.271 11.867 -4.792 1.00 14.14 C ATOM 870 CG ASN A 51 -9.319 13.235 -5.476 1.00 15.14 C ATOM 871 OD1 ASN A 51 -9.196 14.272 -4.834 1.00 73.34 O ATOM 872 ND2 ASN A 51 -9.503 13.242 -6.792 1.00 62.43 N ATOM 0 H ASN A 51 -7.784 11.551 -6.798 1.00 4.41 H new ATOM 0 HA ASN A 51 -7.262 11.890 -3.996 1.00 0.14 H new ATOM 0 HB2 ASN A 51 -9.905 11.170 -5.340 1.00 14.14 H new ATOM 0 HB3 ASN A 51 -9.687 11.954 -3.788 1.00 14.14 H new ATOM 0 HD21 ASN A 51 -9.545 14.128 -7.296 1.00 62.43 H new ATOM 0 HD22 ASN A 51 -9.602 12.362 -7.298 1.00 62.43 H new ATOM 879 N GLU A 52 -8.057 8.907 -5.155 1.00 1.44 N ATOM 880 CA GLU A 52 -8.180 7.457 -4.915 1.00 60.44 C ATOM 881 C GLU A 52 -6.871 6.868 -4.343 1.00 74.13 C ATOM 882 O GLU A 52 -6.897 6.151 -3.330 1.00 24.14 O ATOM 883 CB GLU A 52 -8.586 6.784 -6.251 1.00 34.44 C ATOM 884 CG GLU A 52 -8.789 5.262 -6.232 1.00 74.11 C ATOM 885 CD GLU A 52 -9.414 4.747 -7.542 1.00 43.34 C ATOM 886 OE1 GLU A 52 -8.708 4.701 -8.588 1.00 2.12 O ATOM 887 OE2 GLU A 52 -10.629 4.436 -7.550 1.00 23.34 O ATOM 0 H GLU A 52 -8.113 9.151 -6.144 1.00 1.44 H new ATOM 0 HA GLU A 52 -8.947 7.265 -4.165 1.00 60.44 H new ATOM 0 HB2 GLU A 52 -9.512 7.245 -6.595 1.00 34.44 H new ATOM 0 HB3 GLU A 52 -7.821 7.014 -6.992 1.00 34.44 H new ATOM 0 HG2 GLU A 52 -7.830 4.770 -6.070 1.00 74.11 H new ATOM 0 HG3 GLU A 52 -9.431 4.992 -5.393 1.00 74.11 H new ATOM 894 N VAL A 53 -5.727 7.209 -4.978 1.00 22.43 N ATOM 895 CA VAL A 53 -4.397 6.789 -4.493 1.00 22.11 C ATOM 896 C VAL A 53 -4.062 7.478 -3.156 1.00 24.44 C ATOM 897 O VAL A 53 -3.615 6.817 -2.222 1.00 13.53 O ATOM 898 CB VAL A 53 -3.247 7.059 -5.549 1.00 21.21 C ATOM 899 CG1 VAL A 53 -3.138 8.545 -5.935 1.00 30.30 C ATOM 900 CG2 VAL A 53 -1.890 6.513 -5.041 1.00 53.42 C ATOM 0 H VAL A 53 -5.700 7.774 -5.827 1.00 22.43 H new ATOM 0 HA VAL A 53 -4.448 5.711 -4.341 1.00 22.11 H new ATOM 0 HB VAL A 53 -3.517 6.519 -6.457 1.00 21.21 H new ATOM 0 HG11 VAL A 53 -2.335 8.674 -6.661 1.00 30.30 H new ATOM 0 HG12 VAL A 53 -4.079 8.877 -6.372 1.00 30.30 H new ATOM 0 HG13 VAL A 53 -2.922 9.137 -5.046 1.00 30.30 H new ATOM 0 HG21 VAL A 53 -1.117 6.711 -5.784 1.00 53.42 H new ATOM 0 HG22 VAL A 53 -1.628 7.005 -4.104 1.00 53.42 H new ATOM 0 HG23 VAL A 53 -1.969 5.438 -4.877 1.00 53.42 H new ATOM 910 N ASP A 54 -4.346 8.796 -3.077 1.00 33.31 N ATOM 911 CA ASP A 54 -3.986 9.654 -1.929 1.00 13.04 C ATOM 912 C ASP A 54 -4.706 9.213 -0.642 1.00 74.43 C ATOM 913 O ASP A 54 -4.145 9.325 0.450 1.00 74.12 O ATOM 914 CB ASP A 54 -4.305 11.135 -2.258 1.00 42.33 C ATOM 915 CG ASP A 54 -3.880 12.107 -1.145 1.00 10.20 C ATOM 916 OD1 ASP A 54 -2.661 12.372 -1.018 1.00 13.32 O ATOM 917 OD2 ASP A 54 -4.754 12.621 -0.410 1.00 5.34 O ATOM 0 H ASP A 54 -4.837 9.299 -3.817 1.00 33.31 H new ATOM 0 HA ASP A 54 -2.916 9.551 -1.750 1.00 13.04 H new ATOM 0 HB2 ASP A 54 -3.802 11.411 -3.185 1.00 42.33 H new ATOM 0 HB3 ASP A 54 -5.376 11.239 -2.433 1.00 42.33 H new ATOM 922 N ARG A 55 -5.941 8.690 -0.810 1.00 54.30 N ATOM 923 CA ARG A 55 -6.777 8.169 0.293 1.00 33.02 C ATOM 924 C ARG A 55 -6.033 7.056 1.054 1.00 1.40 C ATOM 925 O ARG A 55 -5.852 7.116 2.270 1.00 43.41 O ATOM 926 CB ARG A 55 -8.113 7.610 -0.284 1.00 33.02 C ATOM 927 CG ARG A 55 -9.127 7.091 0.772 1.00 14.11 C ATOM 928 CD ARG A 55 -9.701 8.216 1.659 1.00 14.23 C ATOM 929 NE ARG A 55 -10.732 7.722 2.600 1.00 50.54 N ATOM 930 CZ ARG A 55 -10.953 8.208 3.838 1.00 1.13 C ATOM 931 NH1 ARG A 55 -10.213 9.207 4.319 1.00 14.52 N ATOM 932 NH2 ARG A 55 -11.939 7.712 4.581 1.00 1.13 N ATOM 0 H ARG A 55 -6.389 8.617 -1.724 1.00 54.30 H new ATOM 0 HA ARG A 55 -6.991 8.982 0.987 1.00 33.02 H new ATOM 0 HB2 ARG A 55 -8.593 8.394 -0.870 1.00 33.02 H new ATOM 0 HB3 ARG A 55 -7.881 6.796 -0.971 1.00 33.02 H new ATOM 0 HG2 ARG A 55 -9.946 6.583 0.263 1.00 14.11 H new ATOM 0 HG3 ARG A 55 -8.638 6.351 1.405 1.00 14.11 H new ATOM 0 HD2 ARG A 55 -8.891 8.680 2.222 1.00 14.23 H new ATOM 0 HD3 ARG A 55 -10.133 8.990 1.025 1.00 14.23 H new ATOM 0 HE ARG A 55 -11.323 6.952 2.286 1.00 50.54 H new ATOM 0 HH11 ARG A 55 -9.470 9.612 3.749 1.00 14.52 H new ATOM 0 HH12 ARG A 55 -10.389 9.567 5.257 1.00 14.52 H new ATOM 0 HH21 ARG A 55 -12.528 6.964 4.214 1.00 1.13 H new ATOM 0 HH22 ARG A 55 -12.106 8.080 5.518 1.00 1.13 H new ATOM 946 N ILE A 56 -5.573 6.067 0.289 1.00 73.21 N ATOM 947 CA ILE A 56 -4.890 4.881 0.811 1.00 72.21 C ATOM 948 C ILE A 56 -3.448 5.224 1.239 1.00 25.40 C ATOM 949 O ILE A 56 -2.950 4.727 2.253 1.00 51.53 O ATOM 950 CB ILE A 56 -4.876 3.763 -0.291 1.00 24.13 C ATOM 951 CG1 ILE A 56 -6.335 3.460 -0.777 1.00 15.32 C ATOM 952 CG2 ILE A 56 -4.180 2.489 0.225 1.00 55.11 C ATOM 953 CD1 ILE A 56 -6.426 2.543 -1.983 1.00 64.44 C ATOM 0 H ILE A 56 -5.665 6.066 -0.727 1.00 73.21 H new ATOM 0 HA ILE A 56 -5.427 4.521 1.689 1.00 72.21 H new ATOM 0 HB ILE A 56 -4.303 4.125 -1.145 1.00 24.13 H new ATOM 0 HG12 ILE A 56 -6.891 3.011 0.046 1.00 15.32 H new ATOM 0 HG13 ILE A 56 -6.826 4.403 -1.017 1.00 15.32 H new ATOM 0 HG21 ILE A 56 -4.184 1.730 -0.557 1.00 55.11 H new ATOM 0 HG22 ILE A 56 -3.151 2.722 0.499 1.00 55.11 H new ATOM 0 HG23 ILE A 56 -4.712 2.112 1.099 1.00 55.11 H new ATOM 0 HD11 ILE A 56 -7.473 2.391 -2.246 1.00 64.44 H new ATOM 0 HD12 ILE A 56 -5.902 2.996 -2.825 1.00 64.44 H new ATOM 0 HD13 ILE A 56 -5.968 1.583 -1.745 1.00 64.44 H new ATOM 965 N LEU A 57 -2.810 6.094 0.442 1.00 25.01 N ATOM 966 CA LEU A 57 -1.414 6.511 0.612 1.00 65.13 C ATOM 967 C LEU A 57 -1.177 7.173 1.977 1.00 41.33 C ATOM 968 O LEU A 57 -0.357 6.679 2.764 1.00 0.44 O ATOM 969 CB LEU A 57 -1.020 7.464 -0.537 1.00 62.12 C ATOM 970 CG LEU A 57 0.429 8.023 -0.509 1.00 21.23 C ATOM 971 CD1 LEU A 57 1.473 6.890 -0.504 1.00 22.42 C ATOM 972 CD2 LEU A 57 0.645 8.994 -1.684 1.00 52.21 C ATOM 0 H LEU A 57 -3.263 6.537 -0.357 1.00 25.01 H new ATOM 0 HA LEU A 57 -0.784 5.622 0.578 1.00 65.13 H new ATOM 0 HB2 LEU A 57 -1.164 6.938 -1.481 1.00 62.12 H new ATOM 0 HB3 LEU A 57 -1.711 8.307 -0.533 1.00 62.12 H new ATOM 0 HG LEU A 57 0.566 8.577 0.419 1.00 21.23 H new ATOM 0 HD11 LEU A 57 2.475 7.319 -0.484 1.00 22.42 H new ATOM 0 HD12 LEU A 57 1.328 6.266 0.378 1.00 22.42 H new ATOM 0 HD13 LEU A 57 1.356 6.283 -1.402 1.00 22.42 H new ATOM 0 HD21 LEU A 57 1.664 9.380 -1.655 1.00 52.21 H new ATOM 0 HD22 LEU A 57 0.483 8.468 -2.625 1.00 52.21 H new ATOM 0 HD23 LEU A 57 -0.059 9.822 -1.606 1.00 52.21 H new ATOM 984 N GLU A 58 -1.917 8.272 2.267 1.00 43.14 N ATOM 985 CA GLU A 58 -1.802 8.980 3.556 1.00 21.45 C ATOM 986 C GLU A 58 -2.127 8.031 4.721 1.00 73.31 C ATOM 987 O GLU A 58 -1.484 8.084 5.764 1.00 62.24 O ATOM 988 CB GLU A 58 -2.731 10.228 3.633 1.00 4.11 C ATOM 989 CG GLU A 58 -4.254 9.917 3.621 1.00 72.43 C ATOM 990 CD GLU A 58 -5.109 11.032 4.235 1.00 21.44 C ATOM 991 OE1 GLU A 58 -5.230 11.070 5.478 1.00 20.12 O ATOM 992 OE2 GLU A 58 -5.657 11.875 3.494 1.00 35.42 O ATOM 0 H GLU A 58 -2.596 8.682 1.625 1.00 43.14 H new ATOM 0 HA GLU A 58 -0.771 9.325 3.634 1.00 21.45 H new ATOM 0 HB2 GLU A 58 -2.496 10.781 4.542 1.00 4.11 H new ATOM 0 HB3 GLU A 58 -2.503 10.884 2.793 1.00 4.11 H new ATOM 0 HG2 GLU A 58 -4.575 9.748 2.593 1.00 72.43 H new ATOM 0 HG3 GLU A 58 -4.432 8.990 4.167 1.00 72.43 H new ATOM 999 N GLU A 59 -3.094 7.125 4.490 1.00 72.21 N ATOM 1000 CA GLU A 59 -3.661 6.285 5.539 1.00 25.43 C ATOM 1001 C GLU A 59 -2.659 5.223 6.024 1.00 11.22 C ATOM 1002 O GLU A 59 -2.501 5.044 7.225 1.00 52.22 O ATOM 1003 CB GLU A 59 -4.971 5.629 5.055 1.00 33.44 C ATOM 1004 CG GLU A 59 -5.844 5.046 6.187 1.00 50.50 C ATOM 1005 CD GLU A 59 -6.377 6.125 7.155 1.00 72.04 C ATOM 1006 OE1 GLU A 59 -7.451 6.710 6.878 1.00 44.34 O ATOM 1007 OE2 GLU A 59 -5.732 6.397 8.189 1.00 13.34 O ATOM 0 H GLU A 59 -3.499 6.961 3.568 1.00 72.21 H new ATOM 0 HA GLU A 59 -3.888 6.926 6.391 1.00 25.43 H new ATOM 0 HB2 GLU A 59 -5.554 6.369 4.507 1.00 33.44 H new ATOM 0 HB3 GLU A 59 -4.727 4.832 4.353 1.00 33.44 H new ATOM 0 HG2 GLU A 59 -6.686 4.510 5.749 1.00 50.50 H new ATOM 0 HG3 GLU A 59 -5.260 4.317 6.750 1.00 50.50 H new ATOM 1014 N VAL A 60 -1.965 4.541 5.089 1.00 71.31 N ATOM 1015 CA VAL A 60 -0.926 3.550 5.452 1.00 74.42 C ATOM 1016 C VAL A 60 0.287 4.256 6.110 1.00 61.32 C ATOM 1017 O VAL A 60 0.929 3.702 7.001 1.00 61.30 O ATOM 1018 CB VAL A 60 -0.475 2.663 4.224 1.00 41.10 C ATOM 1019 CG1 VAL A 60 0.144 3.500 3.083 1.00 11.45 C ATOM 1020 CG2 VAL A 60 0.487 1.533 4.672 1.00 54.10 C ATOM 0 H VAL A 60 -2.102 4.656 4.085 1.00 71.31 H new ATOM 0 HA VAL A 60 -1.370 2.867 6.176 1.00 74.42 H new ATOM 0 HB VAL A 60 -1.378 2.204 3.822 1.00 41.10 H new ATOM 0 HG11 VAL A 60 0.436 2.841 2.265 1.00 11.45 H new ATOM 0 HG12 VAL A 60 -0.589 4.222 2.723 1.00 11.45 H new ATOM 0 HG13 VAL A 60 1.022 4.028 3.454 1.00 11.45 H new ATOM 0 HG21 VAL A 60 0.780 0.940 3.806 1.00 54.10 H new ATOM 0 HG22 VAL A 60 1.375 1.971 5.129 1.00 54.10 H new ATOM 0 HG23 VAL A 60 -0.016 0.893 5.397 1.00 54.10 H new ATOM 1030 N ARG A 61 0.542 5.509 5.692 1.00 71.32 N ATOM 1031 CA ARG A 61 1.599 6.353 6.281 1.00 41.11 C ATOM 1032 C ARG A 61 1.249 6.788 7.733 1.00 41.22 C ATOM 1033 O ARG A 61 2.151 7.070 8.522 1.00 15.43 O ATOM 1034 CB ARG A 61 1.862 7.593 5.375 1.00 53.12 C ATOM 1035 CG ARG A 61 2.516 7.261 4.011 1.00 61.45 C ATOM 1036 CD ARG A 61 2.705 8.499 3.109 1.00 41.01 C ATOM 1037 NE ARG A 61 3.523 9.556 3.742 1.00 61.04 N ATOM 1038 CZ ARG A 61 4.828 9.796 3.491 1.00 52.25 C ATOM 1039 NH1 ARG A 61 5.518 9.058 2.610 1.00 22.42 N ATOM 1040 NH2 ARG A 61 5.432 10.803 4.111 1.00 13.22 N ATOM 0 H ARG A 61 0.024 5.964 4.940 1.00 71.32 H new ATOM 0 HA ARG A 61 2.511 5.759 6.337 1.00 41.11 H new ATOM 0 HB2 ARG A 61 0.916 8.104 5.196 1.00 53.12 H new ATOM 0 HB3 ARG A 61 2.505 8.291 5.912 1.00 53.12 H new ATOM 0 HG2 ARG A 61 3.486 6.795 4.184 1.00 61.45 H new ATOM 0 HG3 ARG A 61 1.900 6.530 3.488 1.00 61.45 H new ATOM 0 HD2 ARG A 61 3.177 8.193 2.175 1.00 41.01 H new ATOM 0 HD3 ARG A 61 1.728 8.908 2.853 1.00 41.01 H new ATOM 0 HE ARG A 61 3.062 10.155 4.427 1.00 61.04 H new ATOM 0 HH11 ARG A 61 5.058 8.296 2.112 1.00 22.42 H new ATOM 0 HH12 ARG A 61 6.503 9.259 2.437 1.00 22.42 H new ATOM 0 HH21 ARG A 61 4.911 11.384 4.768 1.00 13.22 H new ATOM 0 HH22 ARG A 61 6.417 10.995 3.931 1.00 13.22 H new ATOM 1054 N ARG A 62 -0.058 6.833 8.073 1.00 3.31 N ATOM 1055 CA ARG A 62 -0.543 7.269 9.411 1.00 1.25 C ATOM 1056 C ARG A 62 -0.798 6.073 10.358 1.00 72.30 C ATOM 1057 O ARG A 62 -0.570 6.179 11.569 1.00 42.42 O ATOM 1058 CB ARG A 62 -1.829 8.130 9.251 1.00 23.21 C ATOM 1059 CG ARG A 62 -1.588 9.488 8.548 1.00 35.14 C ATOM 1060 CD ARG A 62 -2.885 10.262 8.254 1.00 55.12 C ATOM 1061 NE ARG A 62 -3.610 10.657 9.477 1.00 72.12 N ATOM 1062 CZ ARG A 62 -4.820 11.244 9.509 1.00 23.44 C ATOM 1063 NH1 ARG A 62 -5.480 11.527 8.384 1.00 33.25 N ATOM 1064 NH2 ARG A 62 -5.364 11.558 10.680 1.00 72.04 N ATOM 0 H ARG A 62 -0.808 6.570 7.434 1.00 3.31 H new ATOM 0 HA ARG A 62 0.240 7.873 9.869 1.00 1.25 H new ATOM 0 HB2 ARG A 62 -2.566 7.563 8.683 1.00 23.21 H new ATOM 0 HB3 ARG A 62 -2.258 8.313 10.236 1.00 23.21 H new ATOM 0 HG2 ARG A 62 -0.941 10.103 9.173 1.00 35.14 H new ATOM 0 HG3 ARG A 62 -1.057 9.315 7.612 1.00 35.14 H new ATOM 0 HD2 ARG A 62 -2.646 11.154 7.676 1.00 55.12 H new ATOM 0 HD3 ARG A 62 -3.537 9.646 7.635 1.00 55.12 H new ATOM 0 HE ARG A 62 -3.157 10.470 10.371 1.00 72.12 H new ATOM 0 HH11 ARG A 62 -5.068 11.298 7.480 1.00 33.25 H new ATOM 0 HH12 ARG A 62 -6.397 11.972 8.429 1.00 33.25 H new ATOM 0 HH21 ARG A 62 -4.864 11.354 11.546 1.00 72.04 H new ATOM 0 HH22 ARG A 62 -6.281 12.003 10.713 1.00 72.04 H new ATOM 1078 N LYS A 63 -1.274 4.945 9.803 1.00 40.15 N ATOM 1079 CA LYS A 63 -1.642 3.740 10.584 1.00 72.34 C ATOM 1080 C LYS A 63 -0.419 2.851 10.843 1.00 55.35 C ATOM 1081 O LYS A 63 -0.229 2.342 11.952 1.00 13.45 O ATOM 1082 CB LYS A 63 -2.712 2.908 9.815 1.00 23.14 C ATOM 1083 CG LYS A 63 -4.081 3.590 9.639 1.00 2.43 C ATOM 1084 CD LYS A 63 -4.817 3.828 10.976 1.00 3.52 C ATOM 1085 CE LYS A 63 -6.236 4.376 10.771 1.00 51.53 C ATOM 1086 NZ LYS A 63 -6.926 4.624 12.063 1.00 50.31 N ATOM 0 H LYS A 63 -1.416 4.838 8.799 1.00 40.15 H new ATOM 0 HA LYS A 63 -2.045 4.077 11.539 1.00 72.34 H new ATOM 0 HB2 LYS A 63 -2.317 2.664 8.829 1.00 23.14 H new ATOM 0 HB3 LYS A 63 -2.860 1.965 10.341 1.00 23.14 H new ATOM 0 HG2 LYS A 63 -3.942 4.545 9.133 1.00 2.43 H new ATOM 0 HG3 LYS A 63 -4.706 2.975 8.992 1.00 2.43 H new ATOM 0 HD2 LYS A 63 -4.868 2.892 11.531 1.00 3.52 H new ATOM 0 HD3 LYS A 63 -4.244 4.528 11.584 1.00 3.52 H new ATOM 0 HE2 LYS A 63 -6.188 5.304 10.201 1.00 51.53 H new ATOM 0 HE3 LYS A 63 -6.817 3.668 10.179 1.00 51.53 H new ATOM 0 HZ1 LYS A 63 -7.881 4.993 11.881 1.00 50.31 H new ATOM 0 HZ2 LYS A 63 -6.995 3.734 12.596 1.00 50.31 H new ATOM 0 HZ3 LYS A 63 -6.386 5.319 12.617 1.00 50.31 H new ATOM 1100 N VAL A 64 0.403 2.673 9.802 1.00 61.43 N ATOM 1101 CA VAL A 64 1.488 1.683 9.774 1.00 53.20 C ATOM 1102 C VAL A 64 2.852 2.408 9.812 1.00 33.22 C ATOM 1103 O VAL A 64 3.309 2.925 8.785 1.00 73.53 O ATOM 1104 CB VAL A 64 1.349 0.783 8.493 1.00 10.24 C ATOM 1105 CG1 VAL A 64 2.459 -0.273 8.405 1.00 65.45 C ATOM 1106 CG2 VAL A 64 -0.047 0.119 8.440 1.00 73.32 C ATOM 0 H VAL A 64 0.333 3.219 8.944 1.00 61.43 H new ATOM 0 HA VAL A 64 1.425 1.036 10.649 1.00 53.20 H new ATOM 0 HB VAL A 64 1.458 1.435 7.627 1.00 10.24 H new ATOM 0 HG11 VAL A 64 2.322 -0.871 7.504 1.00 65.45 H new ATOM 0 HG12 VAL A 64 3.430 0.222 8.368 1.00 65.45 H new ATOM 0 HG13 VAL A 64 2.415 -0.921 9.281 1.00 65.45 H new ATOM 0 HG21 VAL A 64 -0.122 -0.499 7.546 1.00 73.32 H new ATOM 0 HG22 VAL A 64 -0.188 -0.503 9.324 1.00 73.32 H new ATOM 0 HG23 VAL A 64 -0.816 0.891 8.413 1.00 73.32 H new ATOM 1116 N PRO A 65 3.511 2.485 11.008 1.00 52.31 N ATOM 1117 CA PRO A 65 4.748 3.278 11.193 1.00 31.12 C ATOM 1118 C PRO A 65 6.046 2.524 10.823 1.00 34.21 C ATOM 1119 O PRO A 65 7.041 3.165 10.476 1.00 44.31 O ATOM 1120 CB PRO A 65 4.686 3.603 12.703 1.00 31.14 C ATOM 1121 CG PRO A 65 4.061 2.383 13.326 1.00 72.55 C ATOM 1122 CD PRO A 65 3.089 1.834 12.291 1.00 51.20 C ATOM 0 HA PRO A 65 4.786 4.148 10.537 1.00 31.12 H new ATOM 0 HB2 PRO A 65 5.680 3.791 13.110 1.00 31.14 H new ATOM 0 HB3 PRO A 65 4.090 4.495 12.893 1.00 31.14 H new ATOM 0 HG2 PRO A 65 4.820 1.643 13.580 1.00 72.55 H new ATOM 0 HG3 PRO A 65 3.543 2.639 14.250 1.00 72.55 H new ATOM 0 HD2 PRO A 65 3.149 0.748 12.225 1.00 51.20 H new ATOM 0 HD3 PRO A 65 2.058 2.081 12.543 1.00 51.20 H new ATOM 1130 N ASN A 66 6.026 1.177 10.890 1.00 30.20 N ATOM 1131 CA ASN A 66 7.251 0.345 10.770 1.00 45.11 C ATOM 1132 C ASN A 66 7.500 -0.081 9.319 1.00 41.34 C ATOM 1133 O ASN A 66 8.595 -0.547 8.983 1.00 20.43 O ATOM 1134 CB ASN A 66 7.166 -0.907 11.680 1.00 35.30 C ATOM 1135 CG ASN A 66 6.845 -0.576 13.135 1.00 73.22 C ATOM 1136 OD1 ASN A 66 5.572 -0.572 13.480 1.00 13.21 O flip ATOM 1137 ND2 ASN A 66 7.733 -0.345 13.945 1.00 51.34 N flip ATOM 0 H ASN A 66 5.172 0.636 11.027 1.00 30.20 H new ATOM 0 HA ASN A 66 8.090 0.960 11.096 1.00 45.11 H new ATOM 0 HB2 ASN A 66 6.401 -1.579 11.291 1.00 35.30 H new ATOM 0 HB3 ASN A 66 8.114 -1.443 11.637 1.00 35.30 H new ATOM 0 HD21 ASN A 66 8.709 -0.355 13.649 1.00 51.34 H new ATOM 0 HD22 ASN A 66 7.497 -0.142 14.916 1.00 51.34 H new ATOM 1144 N ALA A 67 6.481 0.070 8.462 1.00 74.11 N ATOM 1145 CA ALA A 67 6.611 -0.160 7.020 1.00 4.52 C ATOM 1146 C ALA A 67 7.099 1.126 6.333 1.00 44.54 C ATOM 1147 O ALA A 67 6.453 2.177 6.447 1.00 72.14 O ATOM 1148 CB ALA A 67 5.283 -0.632 6.416 1.00 65.34 C ATOM 0 H ALA A 67 5.545 0.355 8.750 1.00 74.11 H new ATOM 0 HA ALA A 67 7.345 -0.949 6.856 1.00 4.52 H new ATOM 0 HB1 ALA A 67 5.408 -0.795 5.346 1.00 65.34 H new ATOM 0 HB2 ALA A 67 4.978 -1.564 6.892 1.00 65.34 H new ATOM 0 HB3 ALA A 67 4.518 0.127 6.581 1.00 65.34 H new ATOM 1154 N ARG A 68 8.261 1.033 5.675 1.00 72.42 N ATOM 1155 CA ARG A 68 8.835 2.116 4.868 1.00 54.41 C ATOM 1156 C ARG A 68 7.973 2.323 3.605 1.00 35.52 C ATOM 1157 O ARG A 68 8.078 1.554 2.653 1.00 33.13 O ATOM 1158 CB ARG A 68 10.295 1.741 4.473 1.00 52.40 C ATOM 1159 CG ARG A 68 11.066 2.825 3.682 1.00 5.24 C ATOM 1160 CD ARG A 68 11.411 4.058 4.532 1.00 1.40 C ATOM 1161 NE ARG A 68 12.137 5.083 3.761 1.00 14.41 N ATOM 1162 CZ ARG A 68 12.441 6.315 4.216 1.00 70.24 C ATOM 1163 NH1 ARG A 68 12.079 6.701 5.441 1.00 22.41 N ATOM 1164 NH2 ARG A 68 13.130 7.154 3.449 1.00 71.00 N ATOM 0 H ARG A 68 8.837 0.191 5.689 1.00 72.42 H new ATOM 0 HA ARG A 68 8.849 3.043 5.441 1.00 54.41 H new ATOM 0 HB2 ARG A 68 10.852 1.513 5.382 1.00 52.40 H new ATOM 0 HB3 ARG A 68 10.270 0.829 3.877 1.00 52.40 H new ATOM 0 HG2 ARG A 68 11.986 2.394 3.288 1.00 5.24 H new ATOM 0 HG3 ARG A 68 10.468 3.137 2.826 1.00 5.24 H new ATOM 0 HD2 ARG A 68 10.493 4.489 4.932 1.00 1.40 H new ATOM 0 HD3 ARG A 68 12.017 3.751 5.385 1.00 1.40 H new ATOM 0 HE ARG A 68 12.431 4.843 2.814 1.00 14.41 H new ATOM 0 HH11 ARG A 68 11.565 6.061 6.047 1.00 22.41 H new ATOM 0 HH12 ARG A 68 12.316 7.636 5.772 1.00 22.41 H new ATOM 0 HH21 ARG A 68 13.428 6.865 2.517 1.00 71.00 H new ATOM 0 HH22 ARG A 68 13.361 8.086 3.792 1.00 71.00 H new ATOM 1178 N VAL A 69 7.137 3.369 3.597 1.00 25.43 N ATOM 1179 CA VAL A 69 6.233 3.651 2.468 1.00 13.32 C ATOM 1180 C VAL A 69 6.976 4.545 1.471 1.00 13.44 C ATOM 1181 O VAL A 69 7.624 5.521 1.864 1.00 64.40 O ATOM 1182 CB VAL A 69 4.893 4.336 2.938 1.00 23.00 C ATOM 1183 CG1 VAL A 69 3.910 4.504 1.754 1.00 1.34 C ATOM 1184 CG2 VAL A 69 4.242 3.538 4.099 1.00 65.41 C ATOM 0 H VAL A 69 7.066 4.039 4.363 1.00 25.43 H new ATOM 0 HA VAL A 69 5.950 2.709 1.997 1.00 13.32 H new ATOM 0 HB VAL A 69 5.135 5.331 3.311 1.00 23.00 H new ATOM 0 HG11 VAL A 69 2.994 4.979 2.106 1.00 1.34 H new ATOM 0 HG12 VAL A 69 4.369 5.126 0.985 1.00 1.34 H new ATOM 0 HG13 VAL A 69 3.674 3.526 1.336 1.00 1.34 H new ATOM 0 HG21 VAL A 69 3.319 4.030 4.406 1.00 65.41 H new ATOM 0 HG22 VAL A 69 4.019 2.525 3.764 1.00 65.41 H new ATOM 0 HG23 VAL A 69 4.930 3.498 4.943 1.00 65.41 H new ATOM 1194 N ARG A 70 6.884 4.186 0.193 1.00 53.33 N ATOM 1195 CA ARG A 70 7.694 4.753 -0.878 1.00 41.25 C ATOM 1196 C ARG A 70 6.784 5.124 -2.051 1.00 74.30 C ATOM 1197 O ARG A 70 6.270 4.240 -2.745 1.00 62.45 O ATOM 1198 CB ARG A 70 8.777 3.716 -1.303 1.00 15.33 C ATOM 1199 CG ARG A 70 9.617 4.095 -2.549 1.00 40.30 C ATOM 1200 CD ARG A 70 10.451 5.371 -2.363 1.00 30.51 C ATOM 1201 NE ARG A 70 11.189 5.713 -3.590 1.00 5.40 N ATOM 1202 CZ ARG A 70 12.173 6.620 -3.679 1.00 33.22 C ATOM 1203 NH1 ARG A 70 12.576 7.316 -2.606 1.00 12.31 N ATOM 1204 NH2 ARG A 70 12.742 6.838 -4.854 1.00 23.24 N ATOM 0 H ARG A 70 6.228 3.476 -0.133 1.00 53.33 H new ATOM 0 HA ARG A 70 8.201 5.657 -0.539 1.00 41.25 H new ATOM 0 HB2 ARG A 70 9.455 3.561 -0.464 1.00 15.33 H new ATOM 0 HB3 ARG A 70 8.285 2.762 -1.495 1.00 15.33 H new ATOM 0 HG2 ARG A 70 10.283 3.268 -2.793 1.00 40.30 H new ATOM 0 HG3 ARG A 70 8.949 4.228 -3.400 1.00 40.30 H new ATOM 0 HD2 ARG A 70 9.797 6.198 -2.087 1.00 30.51 H new ATOM 0 HD3 ARG A 70 11.153 5.232 -1.541 1.00 30.51 H new ATOM 0 HE ARG A 70 10.930 5.219 -4.444 1.00 5.40 H new ATOM 0 HH11 ARG A 70 12.132 7.160 -1.701 1.00 12.31 H new ATOM 0 HH12 ARG A 70 13.326 8.001 -2.695 1.00 12.31 H new ATOM 0 HH21 ARG A 70 12.431 6.319 -5.675 1.00 23.24 H new ATOM 0 HH22 ARG A 70 13.492 7.525 -4.938 1.00 23.24 H new ATOM 1218 N GLU A 71 6.591 6.428 -2.266 1.00 42.24 N ATOM 1219 CA GLU A 71 5.803 6.929 -3.394 1.00 44.42 C ATOM 1220 C GLU A 71 6.669 6.887 -4.654 1.00 64.41 C ATOM 1221 O GLU A 71 7.660 7.622 -4.754 1.00 12.42 O ATOM 1222 CB GLU A 71 5.287 8.376 -3.157 1.00 54.41 C ATOM 1223 CG GLU A 71 4.348 8.544 -1.945 1.00 31.21 C ATOM 1224 CD GLU A 71 5.058 8.465 -0.584 1.00 15.43 C ATOM 1225 OE1 GLU A 71 5.806 9.401 -0.257 1.00 40.02 O ATOM 1226 OE2 GLU A 71 4.875 7.477 0.169 1.00 74.34 O ATOM 0 H GLU A 71 6.973 7.161 -1.668 1.00 42.24 H new ATOM 0 HA GLU A 71 4.926 6.292 -3.506 1.00 44.42 H new ATOM 0 HB2 GLU A 71 6.146 9.035 -3.026 1.00 54.41 H new ATOM 0 HB3 GLU A 71 4.763 8.710 -4.052 1.00 54.41 H new ATOM 0 HG2 GLU A 71 3.841 9.506 -2.023 1.00 31.21 H new ATOM 0 HG3 GLU A 71 3.578 7.773 -1.986 1.00 31.21 H new ATOM 1233 N THR A 72 6.336 5.975 -5.562 1.00 54.33 N ATOM 1234 CA THR A 72 6.968 5.864 -6.874 1.00 32.41 C ATOM 1235 C THR A 72 5.992 6.371 -7.951 1.00 1.13 C ATOM 1236 O THR A 72 4.929 5.790 -8.157 1.00 10.34 O ATOM 1237 CB THR A 72 7.397 4.381 -7.146 1.00 55.34 C ATOM 1238 OG1 THR A 72 6.302 3.484 -6.897 1.00 11.32 O ATOM 1239 CG2 THR A 72 8.581 3.978 -6.255 1.00 44.22 C ATOM 0 H THR A 72 5.607 5.280 -5.405 1.00 54.33 H new ATOM 0 HA THR A 72 7.868 6.478 -6.903 1.00 32.41 H new ATOM 0 HB THR A 72 7.696 4.314 -8.192 1.00 55.34 H new ATOM 0 HG1 THR A 72 6.134 3.433 -5.933 1.00 11.32 H new ATOM 0 HG21 THR A 72 8.858 2.945 -6.464 1.00 44.22 H new ATOM 0 HG22 THR A 72 9.430 4.630 -6.461 1.00 44.22 H new ATOM 0 HG23 THR A 72 8.296 4.072 -5.207 1.00 44.22 H new ATOM 1247 N GLU A 73 6.343 7.486 -8.596 1.00 24.52 N ATOM 1248 CA GLU A 73 5.519 8.118 -9.640 1.00 51.03 C ATOM 1249 C GLU A 73 6.096 7.770 -11.016 1.00 3.23 C ATOM 1250 O GLU A 73 7.311 7.587 -11.159 1.00 73.03 O ATOM 1251 CB GLU A 73 5.472 9.656 -9.391 1.00 30.32 C ATOM 1252 CG GLU A 73 4.552 10.474 -10.348 1.00 22.22 C ATOM 1253 CD GLU A 73 5.329 11.297 -11.398 1.00 71.31 C ATOM 1254 OE1 GLU A 73 5.776 10.719 -12.409 1.00 12.42 O ATOM 1255 OE2 GLU A 73 5.516 12.521 -11.201 1.00 12.00 O ATOM 0 H GLU A 73 7.214 7.983 -8.410 1.00 24.52 H new ATOM 0 HA GLU A 73 4.495 7.745 -9.607 1.00 51.03 H new ATOM 0 HB2 GLU A 73 5.142 9.829 -8.366 1.00 30.32 H new ATOM 0 HB3 GLU A 73 6.486 10.048 -9.470 1.00 30.32 H new ATOM 0 HG2 GLU A 73 3.877 9.790 -10.862 1.00 22.22 H new ATOM 0 HG3 GLU A 73 3.933 11.148 -9.756 1.00 22.22 H new ATOM 1262 N THR A 74 5.221 7.666 -12.022 1.00 41.53 N ATOM 1263 CA THR A 74 5.589 7.303 -13.395 1.00 42.44 C ATOM 1264 C THR A 74 4.770 8.155 -14.381 1.00 5.44 C ATOM 1265 O THR A 74 3.576 7.916 -14.564 1.00 55.51 O ATOM 1266 CB THR A 74 5.353 5.769 -13.664 1.00 5.32 C ATOM 1267 OG1 THR A 74 4.045 5.374 -13.207 1.00 2.14 O ATOM 1268 CG2 THR A 74 6.416 4.878 -12.990 1.00 62.44 C ATOM 0 H THR A 74 4.222 7.834 -11.903 1.00 41.53 H new ATOM 0 HA THR A 74 6.652 7.500 -13.537 1.00 42.44 H new ATOM 0 HB THR A 74 5.433 5.627 -14.742 1.00 5.32 H new ATOM 0 HG1 THR A 74 3.912 4.419 -13.382 1.00 2.14 H new ATOM 0 HG21 THR A 74 6.205 3.831 -13.208 1.00 62.44 H new ATOM 0 HG22 THR A 74 7.403 5.136 -13.373 1.00 62.44 H new ATOM 0 HG23 THR A 74 6.392 5.036 -11.912 1.00 62.44 H new