USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=15 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 5 GLN : amide:sc= 0.459 K(o=0.29,f=-6.8!) USER MOD Set 1.2: A 7 LYS NZ :NH3+ -122:sc= 0.178 (180deg=-0.149) USER MOD Set 1.3: A 44 THR OG1 : rot 166:sc= -0.186 USER MOD Set 1.4: A 74 THR OG1 : rot 160:sc= -0.16 USER MOD Single : A 3 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.47) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 117:sc= 0.0875 USER MOD Single : A 12 ASN : amide:sc= 0.492 K(o=0.49,f=-6.7!) 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) USER MOD Single : A 32 TYR OH : rot -15:sc= -0.417 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 -1:sc= -0.274 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0318 F(o=-1.8!,f=-0.032) USER MOD Single : A 42 GLN : amide:sc= 0.621 K(o=0.62,f=-3.7!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.101 USER MOD Single : A 48 ASN : amide:sc= -0.454 X(o=-0.45,f=-0.015) USER MOD Single : A 50 LYS NZ :NH3+ -141:sc= -0.0421 (180deg=-0.0481) USER MOD Single : A 51 ASN : amide:sc= -0.0942 X(o=-0.094,f=-0.047) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= 0.639 (180deg=0.342) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 72 THR OG1 : rot -150:sc= -0.257 USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 1.572 6.271 -14.488 1.00 71.05 N ATOM 28 CA GLN A 3 0.924 5.200 -13.697 1.00 35.23 C ATOM 29 C GLN A 3 1.407 5.255 -12.237 1.00 23.32 C ATOM 30 O GLN A 3 2.592 5.087 -11.969 1.00 13.43 O ATOM 31 CB GLN A 3 1.246 3.815 -14.324 1.00 10.31 C ATOM 32 CG GLN A 3 0.637 2.605 -13.585 1.00 51.34 C ATOM 33 CD GLN A 3 0.941 1.262 -14.257 1.00 1.11 C ATOM 34 OE1 GLN A 3 1.096 1.182 -15.478 1.00 35.52 O ATOM 35 NE2 GLN A 3 1.023 0.206 -13.470 1.00 52.43 N ATOM 0 HA GLN A 3 -0.156 5.349 -13.710 1.00 35.23 H new ATOM 0 HB2 GLN A 3 0.890 3.808 -15.354 1.00 10.31 H new ATOM 0 HB3 GLN A 3 2.328 3.692 -14.359 1.00 10.31 H new ATOM 0 HG2 GLN A 3 1.016 2.585 -12.563 1.00 51.34 H new ATOM 0 HG3 GLN A 3 -0.443 2.734 -13.522 1.00 51.34 H new ATOM 0 HE21 GLN A 3 0.889 0.308 -12.464 1.00 52.43 H new ATOM 0 HE22 GLN A 3 1.220 -0.712 -13.868 1.00 52.43 H new ATOM 44 N TRP A 4 0.478 5.444 -11.297 1.00 45.12 N ATOM 45 CA TRP A 4 0.810 5.726 -9.891 1.00 62.25 C ATOM 46 C TRP A 4 0.967 4.429 -9.084 1.00 23.43 C ATOM 47 O TRP A 4 0.133 3.521 -9.179 1.00 52.23 O ATOM 48 CB TRP A 4 -0.281 6.630 -9.292 1.00 73.24 C ATOM 49 CG TRP A 4 -0.526 7.867 -10.136 1.00 53.30 C ATOM 50 CD1 TRP A 4 0.360 8.876 -10.387 1.00 51.14 C ATOM 51 CD2 TRP A 4 -1.719 8.201 -10.853 1.00 21.34 C ATOM 52 NE1 TRP A 4 -0.214 9.813 -11.202 1.00 2.13 N ATOM 53 CE2 TRP A 4 -1.488 9.425 -11.503 1.00 54.42 C ATOM 54 CE3 TRP A 4 -2.959 7.584 -11.002 1.00 45.13 C ATOM 55 CZ2 TRP A 4 -2.448 10.044 -12.292 1.00 64.41 C ATOM 56 CZ3 TRP A 4 -3.912 8.199 -11.787 1.00 51.02 C ATOM 57 CH2 TRP A 4 -3.654 9.418 -12.424 1.00 53.23 C ATOM 0 H TRP A 4 -0.524 5.407 -11.484 1.00 45.12 H new ATOM 0 HA TRP A 4 1.769 6.243 -9.845 1.00 62.25 H new ATOM 0 HB2 TRP A 4 -1.209 6.065 -9.200 1.00 73.24 H new ATOM 0 HB3 TRP A 4 0.010 6.931 -8.286 1.00 73.24 H new ATOM 0 HD1 TRP A 4 1.367 8.927 -9.999 1.00 51.14 H new ATOM 0 HE1 TRP A 4 0.238 10.666 -11.532 1.00 2.13 H new ATOM 0 HE3 TRP A 4 -3.170 6.644 -10.513 1.00 45.13 H new ATOM 0 HZ2 TRP A 4 -2.248 10.985 -12.783 1.00 64.41 H new ATOM 0 HZ3 TRP A 4 -4.877 7.730 -11.913 1.00 51.02 H new ATOM 0 HH2 TRP A 4 -4.423 9.872 -13.031 1.00 53.23 H new ATOM 68 N GLN A 5 2.052 4.357 -8.285 1.00 32.33 N ATOM 69 CA GLN A 5 2.407 3.166 -7.486 1.00 42.15 C ATOM 70 C GLN A 5 2.868 3.592 -6.085 1.00 53.23 C ATOM 71 O GLN A 5 3.802 4.379 -5.951 1.00 71.55 O ATOM 72 CB GLN A 5 3.563 2.367 -8.156 1.00 11.14 C ATOM 73 CG GLN A 5 3.307 1.883 -9.585 1.00 70.43 C ATOM 74 CD GLN A 5 4.367 0.889 -10.046 1.00 45.34 C ATOM 75 OE1 GLN A 5 4.191 -0.312 -9.901 1.00 41.34 O ATOM 76 NE2 GLN A 5 5.515 1.379 -10.472 1.00 51.44 N ATOM 0 H GLN A 5 2.710 5.128 -8.176 1.00 32.33 H new ATOM 0 HA GLN A 5 1.520 2.536 -7.421 1.00 42.15 H new ATOM 0 HB2 GLN A 5 4.455 2.993 -8.161 1.00 11.14 H new ATOM 0 HB3 GLN A 5 3.786 1.500 -7.535 1.00 11.14 H new ATOM 0 HG2 GLN A 5 2.323 1.417 -9.640 1.00 70.43 H new ATOM 0 HG3 GLN A 5 3.292 2.738 -10.261 1.00 70.43 H new ATOM 0 HE21 GLN A 5 5.630 2.386 -10.582 1.00 51.44 H new ATOM 0 HE22 GLN A 5 6.288 0.750 -10.691 1.00 51.44 H new ATOM 85 N ILE A 6 2.222 3.051 -5.052 1.00 60.11 N ATOM 86 CA ILE A 6 2.653 3.216 -3.661 1.00 21.24 C ATOM 87 C ILE A 6 3.304 1.906 -3.202 1.00 15.33 C ATOM 88 O ILE A 6 2.620 0.922 -2.951 1.00 22.01 O ATOM 89 CB ILE A 6 1.423 3.576 -2.760 1.00 33.33 C ATOM 90 CG1 ILE A 6 0.808 4.932 -3.217 1.00 64.33 C ATOM 91 CG2 ILE A 6 1.798 3.591 -1.262 1.00 55.34 C ATOM 92 CD1 ILE A 6 -0.418 5.327 -2.448 1.00 25.22 C ATOM 0 H ILE A 6 1.381 2.483 -5.156 1.00 60.11 H new ATOM 0 HA ILE A 6 3.375 4.029 -3.579 1.00 21.24 H new ATOM 0 HB ILE A 6 0.668 2.800 -2.881 1.00 33.33 H new ATOM 0 HG12 ILE A 6 1.559 5.715 -3.113 1.00 64.33 H new ATOM 0 HG13 ILE A 6 0.557 4.869 -4.276 1.00 64.33 H new ATOM 0 HG21 ILE A 6 0.919 3.845 -0.669 1.00 55.34 H new ATOM 0 HG22 ILE A 6 2.162 2.606 -0.968 1.00 55.34 H new ATOM 0 HG23 ILE A 6 2.578 4.332 -1.090 1.00 55.34 H new ATOM 0 HD11 ILE A 6 -0.790 6.281 -2.822 1.00 25.22 H new ATOM 0 HD12 ILE A 6 -1.187 4.564 -2.572 1.00 25.22 H new ATOM 0 HD13 ILE A 6 -0.169 5.423 -1.391 1.00 25.22 H new ATOM 104 N LYS A 7 4.631 1.910 -3.101 1.00 34.34 N ATOM 105 CA LYS A 7 5.422 0.722 -2.754 1.00 55.13 C ATOM 106 C LYS A 7 5.809 0.800 -1.278 1.00 65.54 C ATOM 107 O LYS A 7 6.645 1.611 -0.882 1.00 64.32 O ATOM 108 CB LYS A 7 6.658 0.639 -3.688 1.00 75.12 C ATOM 109 CG LYS A 7 6.274 0.568 -5.184 1.00 1.52 C ATOM 110 CD LYS A 7 7.494 0.513 -6.123 1.00 11.11 C ATOM 111 CE LYS A 7 7.085 0.413 -7.599 1.00 74.44 C ATOM 112 NZ LYS A 7 6.327 -0.835 -7.886 1.00 43.03 N ATOM 0 H LYS A 7 5.197 2.744 -3.258 1.00 34.34 H new ATOM 0 HA LYS A 7 4.843 -0.190 -2.899 1.00 55.13 H new ATOM 0 HB2 LYS A 7 7.293 1.509 -3.521 1.00 75.12 H new ATOM 0 HB3 LYS A 7 7.247 -0.240 -3.427 1.00 75.12 H new ATOM 0 HG2 LYS A 7 5.655 -0.313 -5.352 1.00 1.52 H new ATOM 0 HG3 LYS A 7 5.667 1.437 -5.438 1.00 1.52 H new ATOM 0 HD2 LYS A 7 8.104 1.404 -5.976 1.00 11.11 H new ATOM 0 HD3 LYS A 7 8.114 -0.344 -5.861 1.00 11.11 H new ATOM 0 HE2 LYS A 7 6.475 1.276 -7.865 1.00 74.44 H new ATOM 0 HE3 LYS A 7 7.977 0.447 -8.225 1.00 74.44 H new ATOM 0 HZ1 LYS A 7 6.820 -1.379 -8.622 1.00 43.03 H new ATOM 0 HZ2 LYS A 7 6.259 -1.407 -7.020 1.00 43.03 H new ATOM 0 HZ3 LYS A 7 5.371 -0.592 -8.217 1.00 43.03 H new ATOM 126 N ILE A 8 5.143 -0.025 -0.477 1.00 40.41 N ATOM 127 CA ILE A 8 5.293 -0.063 0.977 1.00 54.15 C ATOM 128 C ILE A 8 6.111 -1.298 1.354 1.00 11.04 C ATOM 129 O ILE A 8 5.733 -2.411 1.000 1.00 60.21 O ATOM 130 CB ILE A 8 3.877 -0.111 1.662 1.00 24.22 C ATOM 131 CG1 ILE A 8 3.010 1.099 1.194 1.00 12.14 C ATOM 132 CG2 ILE A 8 4.001 -0.155 3.202 1.00 35.22 C ATOM 133 CD1 ILE A 8 1.560 1.046 1.625 1.00 13.22 C ATOM 0 H ILE A 8 4.467 -0.703 -0.828 1.00 40.41 H new ATOM 0 HA ILE A 8 5.808 0.833 1.322 1.00 54.15 H new ATOM 0 HB ILE A 8 3.376 -1.029 1.354 1.00 24.22 H new ATOM 0 HG12 ILE A 8 3.455 2.017 1.578 1.00 12.14 H new ATOM 0 HG13 ILE A 8 3.049 1.157 0.106 1.00 12.14 H new ATOM 0 HG21 ILE A 8 3.006 -0.188 3.646 1.00 35.22 H new ATOM 0 HG22 ILE A 8 4.559 -1.043 3.497 1.00 35.22 H new ATOM 0 HG23 ILE A 8 4.525 0.735 3.550 1.00 35.22 H new ATOM 0 HD11 ILE A 8 1.038 1.928 1.254 1.00 13.22 H new ATOM 0 HD12 ILE A 8 1.092 0.149 1.219 1.00 13.22 H new ATOM 0 HD13 ILE A 8 1.505 1.023 2.713 1.00 13.22 H new ATOM 145 N TYR A 9 7.237 -1.102 2.047 1.00 64.51 N ATOM 146 CA TYR A 9 8.115 -2.204 2.467 1.00 73.40 C ATOM 147 C TYR A 9 7.938 -2.418 3.973 1.00 21.12 C ATOM 148 O TYR A 9 8.363 -1.589 4.789 1.00 5.01 O ATOM 149 CB TYR A 9 9.595 -1.893 2.106 1.00 63.42 C ATOM 150 CG TYR A 9 9.808 -1.497 0.630 1.00 52.31 C ATOM 151 CD1 TYR A 9 9.636 -0.175 0.203 1.00 32.32 C ATOM 152 CD2 TYR A 9 10.159 -2.443 -0.335 1.00 4.52 C ATOM 153 CE1 TYR A 9 9.802 0.179 -1.123 1.00 31.31 C ATOM 154 CE2 TYR A 9 10.330 -2.087 -1.663 1.00 23.10 C ATOM 155 CZ TYR A 9 10.152 -0.780 -2.052 1.00 23.42 C ATOM 156 OH TYR A 9 10.316 -0.428 -3.381 1.00 64.20 O ATOM 0 H TYR A 9 7.566 -0.180 2.333 1.00 64.51 H new ATOM 0 HA TYR A 9 7.845 -3.119 1.941 1.00 73.40 H new ATOM 0 HB2 TYR A 9 9.952 -1.085 2.744 1.00 63.42 H new ATOM 0 HB3 TYR A 9 10.205 -2.768 2.329 1.00 63.42 H new ATOM 0 HD1 TYR A 9 9.368 0.583 0.924 1.00 32.32 H new ATOM 0 HD2 TYR A 9 10.300 -3.472 -0.040 1.00 4.52 H new ATOM 0 HE1 TYR A 9 9.658 1.204 -1.431 1.00 31.31 H new ATOM 0 HE2 TYR A 9 10.603 -2.835 -2.392 1.00 23.10 H new ATOM 0 HH TYR A 9 10.563 -1.221 -3.901 1.00 64.20 H new ATOM 166 N SER A 10 7.253 -3.510 4.317 1.00 41.12 N ATOM 167 CA SER A 10 7.030 -3.943 5.698 1.00 70.22 C ATOM 168 C SER A 10 7.451 -5.414 5.821 1.00 64.13 C ATOM 169 O SER A 10 7.044 -6.240 4.999 1.00 73.12 O ATOM 170 CB SER A 10 5.545 -3.758 6.068 1.00 72.15 C ATOM 171 OG SER A 10 5.135 -2.403 5.923 1.00 11.30 O ATOM 0 H SER A 10 6.829 -4.132 3.629 1.00 41.12 H new ATOM 0 HA SER A 10 7.624 -3.343 6.387 1.00 70.22 H new ATOM 0 HB2 SER A 10 4.929 -4.395 5.433 1.00 72.15 H new ATOM 0 HB3 SER A 10 5.383 -4.080 7.097 1.00 72.15 H new ATOM 0 HG SER A 10 4.440 -2.343 5.235 1.00 11.30 H new ATOM 177 N GLU A 11 8.274 -5.732 6.829 1.00 64.13 N ATOM 178 CA GLU A 11 8.851 -7.081 6.983 1.00 12.43 C ATOM 179 C GLU A 11 7.832 -8.064 7.582 1.00 30.42 C ATOM 180 O GLU A 11 7.815 -9.240 7.217 1.00 60.52 O ATOM 181 CB GLU A 11 10.145 -7.032 7.837 1.00 54.11 C ATOM 182 CG GLU A 11 9.963 -6.563 9.291 1.00 53.41 C ATOM 183 CD GLU A 11 11.271 -6.607 10.087 1.00 64.55 C ATOM 184 OE1 GLU A 11 11.685 -7.699 10.500 1.00 54.51 O ATOM 185 OE2 GLU A 11 11.905 -5.557 10.285 1.00 53.15 O ATOM 0 H GLU A 11 8.558 -5.073 7.554 1.00 64.13 H new ATOM 0 HA GLU A 11 9.112 -7.445 5.989 1.00 12.43 H new ATOM 0 HB2 GLU A 11 10.590 -8.027 7.848 1.00 54.11 H new ATOM 0 HB3 GLU A 11 10.858 -6.369 7.347 1.00 54.11 H new ATOM 0 HG2 GLU A 11 9.572 -5.545 9.295 1.00 53.41 H new ATOM 0 HG3 GLU A 11 9.220 -7.192 9.782 1.00 53.41 H new ATOM 192 N ASN A 12 6.985 -7.563 8.498 1.00 22.40 N ATOM 193 CA ASN A 12 5.941 -8.364 9.156 1.00 51.11 C ATOM 194 C ASN A 12 4.637 -8.235 8.349 1.00 22.03 C ATOM 195 O ASN A 12 4.254 -7.136 7.922 1.00 61.32 O ATOM 196 CB ASN A 12 5.739 -7.895 10.627 1.00 35.13 C ATOM 197 CG ASN A 12 4.940 -8.871 11.514 1.00 15.11 C ATOM 198 OD1 ASN A 12 4.120 -9.653 11.041 1.00 1.52 O ATOM 199 ND2 ASN A 12 5.159 -8.812 12.820 1.00 5.12 N ATOM 0 H ASN A 12 7.006 -6.590 8.803 1.00 22.40 H new ATOM 0 HA ASN A 12 6.242 -9.411 9.186 1.00 51.11 H new ATOM 0 HB2 ASN A 12 6.717 -7.733 11.079 1.00 35.13 H new ATOM 0 HB3 ASN A 12 5.228 -6.932 10.619 1.00 35.13 H new ATOM 0 HD21 ASN A 12 4.642 -9.423 13.452 1.00 5.12 H new ATOM 0 HD22 ASN A 12 5.845 -8.155 13.193 1.00 5.12 H new ATOM 206 N GLU A 13 3.960 -9.372 8.154 1.00 40.14 N ATOM 207 CA GLU A 13 2.700 -9.437 7.395 1.00 61.53 C ATOM 208 C GLU A 13 1.540 -8.817 8.189 1.00 51.11 C ATOM 209 O GLU A 13 0.513 -8.483 7.603 1.00 63.23 O ATOM 210 CB GLU A 13 2.375 -10.900 7.017 1.00 55.13 C ATOM 211 CG GLU A 13 2.246 -11.852 8.215 1.00 1.41 C ATOM 212 CD GLU A 13 1.860 -13.273 7.803 1.00 71.51 C ATOM 213 OE1 GLU A 13 0.670 -13.505 7.496 1.00 33.11 O ATOM 214 OE2 GLU A 13 2.739 -14.169 7.784 1.00 24.10 O ATOM 0 H GLU A 13 4.268 -10.274 8.517 1.00 40.14 H new ATOM 0 HA GLU A 13 2.827 -8.858 6.480 1.00 61.53 H new ATOM 0 HB2 GLU A 13 1.443 -10.918 6.452 1.00 55.13 H new ATOM 0 HB3 GLU A 13 3.156 -11.273 6.355 1.00 55.13 H new ATOM 0 HG2 GLU A 13 3.192 -11.880 8.755 1.00 1.41 H new ATOM 0 HG3 GLU A 13 1.497 -11.462 8.904 1.00 1.41 H new ATOM 221 N ARG A 14 1.733 -8.661 9.520 1.00 43.34 N ATOM 222 CA ARG A 14 0.752 -8.033 10.426 1.00 71.34 C ATOM 223 C ARG A 14 0.485 -6.563 10.034 1.00 45.52 C ATOM 224 O ARG A 14 -0.644 -6.062 10.157 1.00 22.21 O ATOM 225 CB ARG A 14 1.226 -8.140 11.899 1.00 61.14 C ATOM 226 CG ARG A 14 0.278 -7.490 12.937 1.00 12.14 C ATOM 227 CD ARG A 14 -1.151 -8.071 12.920 1.00 73.31 C ATOM 228 NE ARG A 14 -2.113 -7.190 13.606 1.00 73.50 N ATOM 229 CZ ARG A 14 -3.438 -7.400 13.665 1.00 11.21 C ATOM 230 NH1 ARG A 14 -3.988 -8.465 13.089 1.00 13.51 N ATOM 231 NH2 ARG A 14 -4.216 -6.525 14.282 1.00 44.53 N ATOM 0 H ARG A 14 2.581 -8.971 9.995 1.00 43.34 H new ATOM 0 HA ARG A 14 -0.190 -8.573 10.329 1.00 71.34 H new ATOM 0 HB2 ARG A 14 1.349 -9.193 12.150 1.00 61.14 H new ATOM 0 HB3 ARG A 14 2.208 -7.675 11.984 1.00 61.14 H new ATOM 0 HG2 ARG A 14 0.701 -7.619 13.933 1.00 12.14 H new ATOM 0 HG3 ARG A 14 0.227 -6.418 12.748 1.00 12.14 H new ATOM 0 HD2 ARG A 14 -1.469 -8.221 11.888 1.00 73.31 H new ATOM 0 HD3 ARG A 14 -1.150 -9.050 13.399 1.00 73.31 H new ATOM 0 HE ARG A 14 -1.745 -6.360 14.070 1.00 73.50 H new ATOM 0 HH11 ARG A 14 -3.402 -9.137 12.593 1.00 13.51 H new ATOM 0 HH12 ARG A 14 -4.996 -8.610 13.143 1.00 13.51 H new ATOM 0 HH21 ARG A 14 -3.809 -5.694 14.711 1.00 44.53 H new ATOM 0 HH22 ARG A 14 -5.223 -6.682 14.329 1.00 44.53 H new ATOM 245 N GLU A 15 1.532 -5.907 9.532 1.00 44.14 N ATOM 246 CA GLU A 15 1.470 -4.514 9.061 1.00 5.14 C ATOM 247 C GLU A 15 0.615 -4.429 7.780 1.00 24.23 C ATOM 248 O GLU A 15 -0.106 -3.450 7.571 1.00 11.10 O ATOM 249 CB GLU A 15 2.920 -4.019 8.833 1.00 53.21 C ATOM 250 CG GLU A 15 3.835 -4.231 10.065 1.00 24.35 C ATOM 251 CD GLU A 15 5.315 -3.907 9.820 1.00 30.12 C ATOM 252 OE1 GLU A 15 6.032 -4.748 9.237 1.00 51.43 O ATOM 253 OE2 GLU A 15 5.776 -2.825 10.233 1.00 42.14 O ATOM 0 H GLU A 15 2.457 -6.327 9.438 1.00 44.14 H new ATOM 0 HA GLU A 15 0.993 -3.871 9.801 1.00 5.14 H new ATOM 0 HB2 GLU A 15 3.346 -4.543 7.977 1.00 53.21 H new ATOM 0 HB3 GLU A 15 2.900 -2.959 8.581 1.00 53.21 H new ATOM 0 HG2 GLU A 15 3.471 -3.610 10.884 1.00 24.35 H new ATOM 0 HG3 GLU A 15 3.752 -5.268 10.390 1.00 24.35 H new ATOM 260 N PHE A 16 0.687 -5.496 6.960 1.00 60.53 N ATOM 261 CA PHE A 16 -0.081 -5.625 5.702 1.00 4.35 C ATOM 262 C PHE A 16 -1.491 -6.183 5.905 1.00 75.33 C ATOM 263 O PHE A 16 -2.323 -6.029 5.010 1.00 11.10 O ATOM 264 CB PHE A 16 0.699 -6.455 4.652 1.00 71.52 C ATOM 265 CG PHE A 16 1.855 -5.706 3.983 1.00 53.51 C ATOM 266 CD1 PHE A 16 2.006 -4.311 4.113 1.00 33.42 C ATOM 267 CD2 PHE A 16 2.785 -6.386 3.202 1.00 12.32 C ATOM 268 CE1 PHE A 16 3.035 -3.647 3.485 1.00 51.52 C ATOM 269 CE2 PHE A 16 3.808 -5.707 2.576 1.00 11.21 C ATOM 270 CZ PHE A 16 3.938 -4.342 2.724 1.00 31.12 C ATOM 0 H PHE A 16 1.284 -6.300 7.152 1.00 60.53 H new ATOM 0 HA PHE A 16 -0.207 -4.611 5.322 1.00 4.35 H new ATOM 0 HB2 PHE A 16 1.093 -7.350 5.134 1.00 71.52 H new ATOM 0 HB3 PHE A 16 0.004 -6.788 3.881 1.00 71.52 H new ATOM 0 HD1 PHE A 16 1.303 -3.754 4.715 1.00 33.42 H new ATOM 0 HD2 PHE A 16 2.704 -7.457 3.085 1.00 12.32 H new ATOM 0 HE1 PHE A 16 3.131 -2.577 3.592 1.00 51.52 H new ATOM 0 HE2 PHE A 16 4.514 -6.249 1.964 1.00 11.21 H new ATOM 0 HZ PHE A 16 4.751 -3.821 2.240 1.00 31.12 H new ATOM 280 N ARG A 17 -1.751 -6.850 7.056 1.00 24.24 N ATOM 281 CA ARG A 17 -3.105 -7.367 7.395 1.00 54.51 C ATOM 282 C ARG A 17 -4.157 -6.271 7.235 1.00 51.01 C ATOM 283 O ARG A 17 -5.256 -6.513 6.730 1.00 65.10 O ATOM 284 CB ARG A 17 -3.160 -7.945 8.833 1.00 0.02 C ATOM 285 CG ARG A 17 -2.312 -9.209 9.092 1.00 20.11 C ATOM 286 CD ARG A 17 -2.798 -10.472 8.360 1.00 45.21 C ATOM 287 NE ARG A 17 -2.559 -10.455 6.900 1.00 52.23 N ATOM 288 CZ ARG A 17 -3.514 -10.545 5.955 1.00 72.53 C ATOM 289 NH1 ARG A 17 -4.797 -10.648 6.288 1.00 24.33 N ATOM 290 NH2 ARG A 17 -3.172 -10.533 4.684 1.00 40.40 N ATOM 0 H ARG A 17 -1.044 -7.044 7.766 1.00 24.24 H new ATOM 0 HA ARG A 17 -3.322 -8.177 6.699 1.00 54.51 H new ATOM 0 HB2 ARG A 17 -2.838 -7.168 9.527 1.00 0.02 H new ATOM 0 HB3 ARG A 17 -4.199 -8.175 9.071 1.00 0.02 H new ATOM 0 HG2 ARG A 17 -1.283 -9.007 8.794 1.00 20.11 H new ATOM 0 HG3 ARG A 17 -2.300 -9.409 10.163 1.00 20.11 H new ATOM 0 HD2 ARG A 17 -2.300 -11.341 8.789 1.00 45.21 H new ATOM 0 HD3 ARG A 17 -3.866 -10.595 8.541 1.00 45.21 H new ATOM 0 HE ARG A 17 -1.593 -10.368 6.584 1.00 52.23 H new ATOM 0 HH11 ARG A 17 -5.069 -10.660 7.271 1.00 24.33 H new ATOM 0 HH12 ARG A 17 -5.509 -10.715 5.561 1.00 24.33 H new ATOM 0 HH21 ARG A 17 -2.190 -10.456 4.421 1.00 40.40 H new ATOM 0 HH22 ARG A 17 -3.889 -10.601 3.962 1.00 40.40 H new ATOM 304 N GLU A 18 -3.759 -5.056 7.633 1.00 51.55 N ATOM 305 CA GLU A 18 -4.545 -3.845 7.424 1.00 62.40 C ATOM 306 C GLU A 18 -4.815 -3.613 5.926 1.00 64.54 C ATOM 307 O GLU A 18 -5.960 -3.732 5.474 1.00 44.15 O ATOM 308 CB GLU A 18 -3.786 -2.646 8.053 1.00 44.31 C ATOM 309 CG GLU A 18 -3.661 -2.717 9.584 1.00 33.24 C ATOM 310 CD GLU A 18 -5.018 -2.656 10.306 1.00 63.43 C ATOM 311 OE1 GLU A 18 -5.537 -1.539 10.519 1.00 42.32 O ATOM 312 OE2 GLU A 18 -5.581 -3.721 10.654 1.00 33.03 O ATOM 0 H GLU A 18 -2.874 -4.890 8.113 1.00 51.55 H new ATOM 0 HA GLU A 18 -5.516 -3.951 7.907 1.00 62.40 H new ATOM 0 HB2 GLU A 18 -2.787 -2.594 7.619 1.00 44.31 H new ATOM 0 HB3 GLU A 18 -4.299 -1.723 7.783 1.00 44.31 H new ATOM 0 HG2 GLU A 18 -3.152 -3.641 9.858 1.00 33.24 H new ATOM 0 HG3 GLU A 18 -3.035 -1.894 9.930 1.00 33.24 H new ATOM 319 N LEU A 19 -3.727 -3.419 5.163 1.00 24.44 N ATOM 320 CA LEU A 19 -3.782 -2.965 3.758 1.00 73.51 C ATOM 321 C LEU A 19 -4.571 -3.931 2.870 1.00 42.10 C ATOM 322 O LEU A 19 -5.578 -3.532 2.288 1.00 53.15 O ATOM 323 CB LEU A 19 -2.353 -2.748 3.170 1.00 65.44 C ATOM 324 CG LEU A 19 -1.586 -1.484 3.673 1.00 3.10 C ATOM 325 CD1 LEU A 19 -2.415 -0.193 3.413 1.00 31.01 C ATOM 326 CD2 LEU A 19 -1.167 -1.621 5.160 1.00 64.31 C ATOM 0 H LEU A 19 -2.778 -3.573 5.503 1.00 24.44 H new ATOM 0 HA LEU A 19 -4.306 -2.009 3.765 1.00 73.51 H new ATOM 0 HB2 LEU A 19 -1.751 -3.628 3.398 1.00 65.44 H new ATOM 0 HB3 LEU A 19 -2.434 -2.690 2.085 1.00 65.44 H new ATOM 0 HG LEU A 19 -0.664 -1.401 3.098 1.00 3.10 H new ATOM 0 HD11 LEU A 19 -1.860 0.674 3.772 1.00 31.01 H new ATOM 0 HD12 LEU A 19 -2.600 -0.089 2.344 1.00 31.01 H new ATOM 0 HD13 LEU A 19 -3.366 -0.259 3.941 1.00 31.01 H new ATOM 0 HD21 LEU A 19 -0.636 -0.722 5.473 1.00 64.31 H new ATOM 0 HD22 LEU A 19 -2.055 -1.751 5.778 1.00 64.31 H new ATOM 0 HD23 LEU A 19 -0.515 -2.486 5.276 1.00 64.31 H new ATOM 338 N ILE A 20 -4.110 -5.196 2.820 1.00 53.12 N ATOM 339 CA ILE A 20 -4.692 -6.264 1.970 1.00 14.54 C ATOM 340 C ILE A 20 -6.232 -6.286 2.065 1.00 1.23 C ATOM 341 O ILE A 20 -6.933 -6.174 1.050 1.00 72.22 O ATOM 342 CB ILE A 20 -4.138 -7.694 2.376 1.00 55.34 C ATOM 343 CG1 ILE A 20 -2.578 -7.754 2.304 1.00 41.44 C ATOM 344 CG2 ILE A 20 -4.766 -8.818 1.520 1.00 71.41 C ATOM 345 CD1 ILE A 20 -1.970 -7.575 0.917 1.00 14.31 C ATOM 0 H ILE A 20 -3.314 -5.513 3.373 1.00 53.12 H new ATOM 0 HA ILE A 20 -4.397 -6.038 0.945 1.00 14.54 H new ATOM 0 HB ILE A 20 -4.432 -7.859 3.413 1.00 55.34 H new ATOM 0 HG12 ILE A 20 -2.173 -6.983 2.960 1.00 41.44 H new ATOM 0 HG13 ILE A 20 -2.251 -8.715 2.702 1.00 41.44 H new ATOM 0 HG21 ILE A 20 -4.360 -9.781 1.830 1.00 71.41 H new ATOM 0 HG22 ILE A 20 -5.847 -8.819 1.657 1.00 71.41 H new ATOM 0 HG23 ILE A 20 -4.534 -8.648 0.469 1.00 71.41 H new ATOM 0 HD11 ILE A 20 -0.884 -7.634 0.985 1.00 14.31 H new ATOM 0 HD12 ILE A 20 -2.335 -8.360 0.255 1.00 14.31 H new ATOM 0 HD13 ILE A 20 -2.256 -6.602 0.517 1.00 14.31 H new ATOM 357 N GLU A 21 -6.723 -6.339 3.313 1.00 41.45 N ATOM 358 CA GLU A 21 -8.151 -6.478 3.613 1.00 3.53 C ATOM 359 C GLU A 21 -8.941 -5.189 3.275 1.00 20.43 C ATOM 360 O GLU A 21 -10.075 -5.277 2.789 1.00 41.20 O ATOM 361 CB GLU A 21 -8.323 -6.891 5.096 1.00 23.10 C ATOM 362 CG GLU A 21 -7.684 -8.258 5.437 1.00 42.23 C ATOM 363 CD GLU A 21 -7.921 -8.703 6.888 1.00 22.11 C ATOM 364 OE1 GLU A 21 -9.105 -8.882 7.265 1.00 41.34 O ATOM 365 OE2 GLU A 21 -6.939 -8.870 7.657 1.00 5.53 O ATOM 0 H GLU A 21 -6.135 -6.286 4.145 1.00 41.45 H new ATOM 0 HA GLU A 21 -8.569 -7.260 2.980 1.00 3.53 H new ATOM 0 HB2 GLU A 21 -7.880 -6.124 5.732 1.00 23.10 H new ATOM 0 HB3 GLU A 21 -9.386 -6.927 5.333 1.00 23.10 H new ATOM 0 HG2 GLU A 21 -8.085 -9.015 4.763 1.00 42.23 H new ATOM 0 HG3 GLU A 21 -6.611 -8.204 5.253 1.00 42.23 H new ATOM 372 N ARG A 22 -8.330 -3.997 3.489 1.00 65.24 N ATOM 373 CA ARG A 22 -8.986 -2.700 3.152 1.00 54.43 C ATOM 374 C ARG A 22 -9.143 -2.555 1.622 1.00 52.21 C ATOM 375 O ARG A 22 -10.201 -2.147 1.129 1.00 62.14 O ATOM 376 CB ARG A 22 -8.200 -1.465 3.695 1.00 65.53 C ATOM 377 CG ARG A 22 -7.993 -1.413 5.224 1.00 41.32 C ATOM 378 CD ARG A 22 -9.274 -1.666 6.047 1.00 11.31 C ATOM 379 NE ARG A 22 -9.046 -1.527 7.499 1.00 74.10 N ATOM 380 CZ ARG A 22 -8.360 -2.390 8.268 1.00 41.00 C ATOM 381 NH1 ARG A 22 -7.820 -3.494 7.761 1.00 74.35 N ATOM 382 NH2 ARG A 22 -8.227 -2.141 9.554 1.00 73.54 N ATOM 0 H ARG A 22 -7.396 -3.902 3.888 1.00 65.24 H new ATOM 0 HA ARG A 22 -9.963 -2.718 3.636 1.00 54.43 H new ATOM 0 HB2 ARG A 22 -7.222 -1.442 3.215 1.00 65.53 H new ATOM 0 HB3 ARG A 22 -8.726 -0.561 3.389 1.00 65.53 H new ATOM 0 HG2 ARG A 22 -7.244 -2.154 5.503 1.00 41.32 H new ATOM 0 HG3 ARG A 22 -7.590 -0.436 5.491 1.00 41.32 H new ATOM 0 HD2 ARG A 22 -10.048 -0.965 5.735 1.00 11.31 H new ATOM 0 HD3 ARG A 22 -9.647 -2.668 5.835 1.00 11.31 H new ATOM 0 HE ARG A 22 -9.443 -0.707 7.957 1.00 74.10 H new ATOM 0 HH11 ARG A 22 -7.922 -3.702 6.768 1.00 74.35 H new ATOM 0 HH12 ARG A 22 -7.304 -4.133 8.365 1.00 74.35 H new ATOM 0 HH21 ARG A 22 -8.642 -1.301 9.956 1.00 73.54 H new ATOM 0 HH22 ARG A 22 -7.709 -2.788 10.148 1.00 73.54 H new ATOM 396 N LEU A 23 -8.078 -2.946 0.896 1.00 51.32 N ATOM 397 CA LEU A 23 -7.971 -2.793 -0.573 1.00 71.34 C ATOM 398 C LEU A 23 -8.912 -3.759 -1.327 1.00 10.22 C ATOM 399 O LEU A 23 -9.146 -3.580 -2.521 1.00 74.43 O ATOM 400 CB LEU A 23 -6.495 -3.003 -1.030 1.00 34.33 C ATOM 401 CG LEU A 23 -5.433 -2.032 -0.421 1.00 62.52 C ATOM 402 CD1 LEU A 23 -4.008 -2.394 -0.894 1.00 72.14 C ATOM 403 CD2 LEU A 23 -5.766 -0.555 -0.710 1.00 55.04 C ATOM 0 H LEU A 23 -7.257 -3.382 1.315 1.00 51.32 H new ATOM 0 HA LEU A 23 -8.283 -1.778 -0.821 1.00 71.34 H new ATOM 0 HB2 LEU A 23 -6.204 -4.024 -0.785 1.00 34.33 H new ATOM 0 HB3 LEU A 23 -6.458 -2.912 -2.116 1.00 34.33 H new ATOM 0 HG LEU A 23 -5.466 -2.157 0.661 1.00 62.52 H new ATOM 0 HD11 LEU A 23 -3.291 -1.701 -0.454 1.00 72.14 H new ATOM 0 HD12 LEU A 23 -3.768 -3.411 -0.582 1.00 72.14 H new ATOM 0 HD13 LEU A 23 -3.957 -2.327 -1.981 1.00 72.14 H new ATOM 0 HD21 LEU A 23 -5.001 0.084 -0.268 1.00 55.04 H new ATOM 0 HD22 LEU A 23 -5.796 -0.393 -1.787 1.00 55.04 H new ATOM 0 HD23 LEU A 23 -6.737 -0.310 -0.279 1.00 55.04 H new ATOM 415 N GLU A 24 -9.374 -4.812 -0.635 1.00 55.14 N ATOM 416 CA GLU A 24 -10.383 -5.749 -1.165 1.00 11.42 C ATOM 417 C GLU A 24 -11.826 -5.300 -0.816 1.00 1.40 C ATOM 418 O GLU A 24 -12.740 -5.436 -1.636 1.00 73.44 O ATOM 419 CB GLU A 24 -10.093 -7.178 -0.636 1.00 51.43 C ATOM 420 CG GLU A 24 -8.720 -7.733 -1.081 1.00 52.22 C ATOM 421 CD GLU A 24 -8.404 -9.110 -0.476 1.00 20.53 C ATOM 422 OE1 GLU A 24 -8.226 -9.204 0.764 1.00 72.22 O ATOM 423 OE2 GLU A 24 -8.325 -10.110 -1.231 1.00 70.03 O ATOM 0 H GLU A 24 -9.060 -5.040 0.308 1.00 55.14 H new ATOM 0 HA GLU A 24 -10.313 -5.753 -2.253 1.00 11.42 H new ATOM 0 HB2 GLU A 24 -10.137 -7.170 0.453 1.00 51.43 H new ATOM 0 HB3 GLU A 24 -10.878 -7.851 -0.982 1.00 51.43 H new ATOM 0 HG2 GLU A 24 -8.699 -7.807 -2.168 1.00 52.22 H new ATOM 0 HG3 GLU A 24 -7.939 -7.028 -0.794 1.00 52.22 H new ATOM 430 N GLU A 25 -12.020 -4.762 0.407 1.00 11.42 N ATOM 431 CA GLU A 25 -13.368 -4.418 0.936 1.00 71.02 C ATOM 432 C GLU A 25 -13.881 -3.051 0.447 1.00 1.24 C ATOM 433 O GLU A 25 -15.073 -2.759 0.608 1.00 63.21 O ATOM 434 CB GLU A 25 -13.368 -4.450 2.489 1.00 40.42 C ATOM 435 CG GLU A 25 -13.234 -5.851 3.115 1.00 50.02 C ATOM 436 CD GLU A 25 -14.434 -6.768 2.824 1.00 0.54 C ATOM 437 OE1 GLU A 25 -15.542 -6.487 3.338 1.00 62.35 O ATOM 438 OE2 GLU A 25 -14.279 -7.767 2.079 1.00 65.15 O ATOM 0 H GLU A 25 -11.259 -4.554 1.054 1.00 11.42 H new ATOM 0 HA GLU A 25 -14.049 -5.175 0.547 1.00 71.02 H new ATOM 0 HB2 GLU A 25 -12.548 -3.828 2.849 1.00 40.42 H new ATOM 0 HB3 GLU A 25 -14.293 -3.997 2.846 1.00 40.42 H new ATOM 0 HG2 GLU A 25 -12.326 -6.323 2.740 1.00 50.02 H new ATOM 0 HG3 GLU A 25 -13.117 -5.749 4.194 1.00 50.02 H new ATOM 445 N GLU A 26 -12.993 -2.213 -0.121 1.00 33.22 N ATOM 446 CA GLU A 26 -13.376 -0.870 -0.622 1.00 3.01 C ATOM 447 C GLU A 26 -14.233 -0.967 -1.904 1.00 1.42 C ATOM 448 O GLU A 26 -14.538 -2.064 -2.395 1.00 35.32 O ATOM 449 CB GLU A 26 -12.110 0.030 -0.838 1.00 21.41 C ATOM 450 CG GLU A 26 -10.970 -0.580 -1.696 1.00 55.11 C ATOM 451 CD GLU A 26 -11.355 -0.920 -3.150 1.00 14.03 C ATOM 452 OE1 GLU A 26 -11.537 0.011 -3.967 1.00 63.23 O ATOM 453 OE2 GLU A 26 -11.507 -2.119 -3.471 1.00 54.54 O ATOM 0 H GLU A 26 -12.006 -2.438 -0.246 1.00 33.22 H new ATOM 0 HA GLU A 26 -13.994 -0.394 0.139 1.00 3.01 H new ATOM 0 HB2 GLU A 26 -12.429 0.962 -1.305 1.00 21.41 H new ATOM 0 HB3 GLU A 26 -11.702 0.287 0.140 1.00 21.41 H new ATOM 0 HG2 GLU A 26 -10.134 0.120 -1.712 1.00 55.11 H new ATOM 0 HG3 GLU A 26 -10.616 -1.488 -1.209 1.00 55.11 H new ATOM 460 N ARG A 27 -14.642 0.202 -2.433 1.00 33.21 N ATOM 461 CA ARG A 27 -15.333 0.323 -3.738 1.00 42.00 C ATOM 462 C ARG A 27 -14.556 1.333 -4.634 1.00 33.33 C ATOM 463 O ARG A 27 -14.012 2.313 -4.110 1.00 31.04 O ATOM 464 CB ARG A 27 -16.830 0.768 -3.576 1.00 22.10 C ATOM 465 CG ARG A 27 -17.843 -0.345 -3.176 1.00 2.01 C ATOM 466 CD ARG A 27 -17.664 -0.872 -1.744 1.00 4.54 C ATOM 467 NE ARG A 27 -18.680 -1.880 -1.384 1.00 73.44 N ATOM 468 CZ ARG A 27 -18.436 -3.141 -0.989 1.00 54.34 C ATOM 469 NH1 ARG A 27 -17.195 -3.604 -0.903 1.00 3.51 N ATOM 470 NH2 ARG A 27 -19.449 -3.928 -0.671 1.00 21.42 N ATOM 0 H ARG A 27 -14.503 1.098 -1.966 1.00 33.21 H new ATOM 0 HA ARG A 27 -15.347 -0.659 -4.210 1.00 42.00 H new ATOM 0 HB2 ARG A 27 -16.873 1.556 -2.824 1.00 22.10 H new ATOM 0 HB3 ARG A 27 -17.160 1.208 -4.517 1.00 22.10 H new ATOM 0 HG2 ARG A 27 -18.855 0.044 -3.284 1.00 2.01 H new ATOM 0 HG3 ARG A 27 -17.745 -1.178 -3.873 1.00 2.01 H new ATOM 0 HD2 ARG A 27 -16.671 -1.309 -1.642 1.00 4.54 H new ATOM 0 HD3 ARG A 27 -17.719 -0.039 -1.044 1.00 4.54 H new ATOM 0 HE ARG A 27 -19.657 -1.593 -1.440 1.00 73.44 H new ATOM 0 HH11 ARG A 27 -16.408 -3.000 -1.139 1.00 3.51 H new ATOM 0 HH12 ARG A 27 -17.029 -4.564 -0.601 1.00 3.51 H new ATOM 0 HH21 ARG A 27 -20.405 -3.577 -0.727 1.00 21.42 H new ATOM 0 HH22 ARG A 27 -19.275 -4.887 -0.370 1.00 21.42 H new ATOM 484 N PRO A 28 -14.482 1.128 -5.996 1.00 25.04 N ATOM 485 CA PRO A 28 -15.001 -0.084 -6.693 1.00 21.10 C ATOM 486 C PRO A 28 -14.032 -1.297 -6.632 1.00 73.11 C ATOM 487 O PRO A 28 -14.480 -2.439 -6.462 1.00 62.43 O ATOM 488 CB PRO A 28 -15.204 0.429 -8.139 1.00 44.13 C ATOM 489 CG PRO A 28 -14.160 1.482 -8.329 1.00 0.14 C ATOM 490 CD PRO A 28 -13.918 2.107 -6.963 1.00 41.43 C ATOM 0 HA PRO A 28 -15.907 -0.476 -6.232 1.00 21.10 H new ATOM 0 HB2 PRO A 28 -15.087 -0.377 -8.863 1.00 44.13 H new ATOM 0 HB3 PRO A 28 -16.205 0.837 -8.275 1.00 44.13 H new ATOM 0 HG2 PRO A 28 -13.241 1.049 -8.725 1.00 0.14 H new ATOM 0 HG3 PRO A 28 -14.493 2.233 -9.045 1.00 0.14 H new ATOM 0 HD2 PRO A 28 -12.855 2.272 -6.785 1.00 41.43 H new ATOM 0 HD3 PRO A 28 -14.410 3.076 -6.878 1.00 41.43 H new ATOM 498 N SER A 29 -12.711 -1.026 -6.745 1.00 55.32 N ATOM 499 CA SER A 29 -11.652 -2.054 -6.789 1.00 61.43 C ATOM 500 C SER A 29 -10.283 -1.370 -6.927 1.00 14.15 C ATOM 501 O SER A 29 -9.989 -0.754 -7.967 1.00 44.35 O ATOM 502 CB SER A 29 -11.862 -3.071 -7.946 1.00 53.22 C ATOM 503 OG SER A 29 -10.895 -4.106 -7.931 1.00 55.40 O ATOM 0 H SER A 29 -12.349 -0.075 -6.809 1.00 55.32 H new ATOM 0 HA SER A 29 -11.697 -2.618 -5.858 1.00 61.43 H new ATOM 0 HB2 SER A 29 -12.858 -3.506 -7.869 1.00 53.22 H new ATOM 0 HB3 SER A 29 -11.816 -2.547 -8.901 1.00 53.22 H new ATOM 0 HG SER A 29 -11.065 -4.723 -8.673 1.00 55.40 H new ATOM 509 N VAL A 30 -9.472 -1.422 -5.849 1.00 40.01 N ATOM 510 CA VAL A 30 -8.057 -1.005 -5.881 1.00 33.32 C ATOM 511 C VAL A 30 -7.187 -2.205 -6.286 1.00 31.55 C ATOM 512 O VAL A 30 -7.306 -3.300 -5.720 1.00 34.35 O ATOM 513 CB VAL A 30 -7.562 -0.421 -4.496 1.00 55.12 C ATOM 514 CG1 VAL A 30 -6.031 -0.161 -4.484 1.00 21.52 C ATOM 515 CG2 VAL A 30 -8.324 0.874 -4.141 1.00 34.35 C ATOM 0 H VAL A 30 -9.780 -1.754 -4.935 1.00 40.01 H new ATOM 0 HA VAL A 30 -7.965 -0.202 -6.613 1.00 33.32 H new ATOM 0 HB VAL A 30 -7.775 -1.177 -3.740 1.00 55.12 H new ATOM 0 HG11 VAL A 30 -5.738 0.239 -3.514 1.00 21.52 H new ATOM 0 HG12 VAL A 30 -5.502 -1.096 -4.666 1.00 21.52 H new ATOM 0 HG13 VAL A 30 -5.778 0.557 -5.264 1.00 21.52 H new ATOM 0 HG21 VAL A 30 -7.966 1.256 -3.185 1.00 34.35 H new ATOM 0 HG22 VAL A 30 -8.154 1.620 -4.917 1.00 34.35 H new ATOM 0 HG23 VAL A 30 -9.391 0.661 -4.070 1.00 34.35 H new ATOM 525 N GLN A 31 -6.319 -1.970 -7.278 1.00 15.14 N ATOM 526 CA GLN A 31 -5.357 -2.956 -7.782 1.00 75.35 C ATOM 527 C GLN A 31 -4.088 -2.910 -6.924 1.00 43.04 C ATOM 528 O GLN A 31 -3.570 -1.824 -6.659 1.00 62.31 O ATOM 529 CB GLN A 31 -5.029 -2.636 -9.262 1.00 60.25 C ATOM 530 CG GLN A 31 -6.238 -2.704 -10.211 1.00 54.11 C ATOM 531 CD GLN A 31 -5.909 -2.262 -11.640 1.00 1.54 C ATOM 532 OE1 GLN A 31 -6.050 -1.087 -11.988 1.00 14.14 O ATOM 533 NE2 GLN A 31 -5.441 -3.189 -12.461 1.00 14.03 N ATOM 0 H GLN A 31 -6.265 -1.073 -7.761 1.00 15.14 H new ATOM 0 HA GLN A 31 -5.781 -3.959 -7.725 1.00 75.35 H new ATOM 0 HB2 GLN A 31 -4.595 -1.638 -9.317 1.00 60.25 H new ATOM 0 HB3 GLN A 31 -4.268 -3.334 -9.612 1.00 60.25 H new ATOM 0 HG2 GLN A 31 -6.618 -3.725 -10.232 1.00 54.11 H new ATOM 0 HG3 GLN A 31 -7.036 -2.075 -9.818 1.00 54.11 H new ATOM 0 HE21 GLN A 31 -5.338 -4.151 -12.138 1.00 14.03 H new ATOM 0 HE22 GLN A 31 -5.184 -2.941 -13.416 1.00 14.03 H new ATOM 542 N TYR A 32 -3.587 -4.076 -6.484 1.00 13.42 N ATOM 543 CA TYR A 32 -2.362 -4.147 -5.668 1.00 63.44 C ATOM 544 C TYR A 32 -1.561 -5.424 -5.959 1.00 20.12 C ATOM 545 O TYR A 32 -2.098 -6.389 -6.528 1.00 3.53 O ATOM 546 CB TYR A 32 -2.698 -4.020 -4.155 1.00 52.20 C ATOM 547 CG TYR A 32 -3.419 -5.226 -3.509 1.00 74.33 C ATOM 548 CD1 TYR A 32 -2.695 -6.310 -2.983 1.00 60.40 C ATOM 549 CD2 TYR A 32 -4.812 -5.282 -3.410 1.00 41.21 C ATOM 550 CE1 TYR A 32 -3.330 -7.384 -2.399 1.00 24.02 C ATOM 551 CE2 TYR A 32 -5.447 -6.361 -2.821 1.00 45.14 C ATOM 552 CZ TYR A 32 -4.701 -7.410 -2.321 1.00 25.35 C ATOM 553 OH TYR A 32 -5.327 -8.490 -1.742 1.00 40.42 O ATOM 0 H TYR A 32 -4.011 -4.983 -6.679 1.00 13.42 H new ATOM 0 HA TYR A 32 -1.730 -3.303 -5.944 1.00 63.44 H new ATOM 0 HB2 TYR A 32 -1.769 -3.846 -3.612 1.00 52.20 H new ATOM 0 HB3 TYR A 32 -3.319 -3.135 -4.016 1.00 52.20 H new ATOM 0 HD1 TYR A 32 -1.616 -6.301 -3.038 1.00 60.40 H new ATOM 0 HD2 TYR A 32 -5.404 -4.468 -3.801 1.00 41.21 H new ATOM 0 HE1 TYR A 32 -2.750 -8.205 -2.003 1.00 24.02 H new ATOM 0 HE2 TYR A 32 -6.525 -6.383 -2.752 1.00 45.14 H new ATOM 0 HH TYR A 32 -4.692 -9.233 -1.664 1.00 40.42 H new ATOM 563 N THR A 33 -0.280 -5.427 -5.543 1.00 10.12 N ATOM 564 CA THR A 33 0.634 -6.576 -5.689 1.00 53.30 C ATOM 565 C THR A 33 1.596 -6.644 -4.482 1.00 73.05 C ATOM 566 O THR A 33 2.440 -5.761 -4.317 1.00 63.44 O ATOM 567 CB THR A 33 1.448 -6.475 -7.034 1.00 42.02 C ATOM 568 OG1 THR A 33 0.537 -6.403 -8.142 1.00 22.23 O ATOM 569 CG2 THR A 33 2.399 -7.672 -7.250 1.00 1.20 C ATOM 0 H THR A 33 0.154 -4.622 -5.091 1.00 10.12 H new ATOM 0 HA THR A 33 0.040 -7.489 -5.719 1.00 53.30 H new ATOM 0 HB THR A 33 2.059 -5.574 -6.968 1.00 42.02 H new ATOM 0 HG1 THR A 33 1.044 -6.339 -8.978 1.00 22.23 H new ATOM 0 HG21 THR A 33 2.933 -7.547 -8.192 1.00 1.20 H new ATOM 0 HG22 THR A 33 3.116 -7.720 -6.430 1.00 1.20 H new ATOM 0 HG23 THR A 33 1.821 -8.595 -7.280 1.00 1.20 H new ATOM 577 N GLU A 34 1.457 -7.692 -3.641 1.00 32.23 N ATOM 578 CA GLU A 34 2.362 -7.946 -2.497 1.00 51.52 C ATOM 579 C GLU A 34 3.436 -8.953 -2.952 1.00 22.35 C ATOM 580 O GLU A 34 3.116 -9.931 -3.644 1.00 23.23 O ATOM 581 CB GLU A 34 1.537 -8.457 -1.274 1.00 21.34 C ATOM 582 CG GLU A 34 2.305 -8.584 0.072 1.00 74.42 C ATOM 583 CD GLU A 34 3.163 -9.862 0.211 1.00 35.00 C ATOM 584 OE1 GLU A 34 2.583 -10.973 0.222 1.00 75.35 O ATOM 585 OE2 GLU A 34 4.404 -9.773 0.302 1.00 33.11 O ATOM 0 H GLU A 34 0.715 -8.386 -3.735 1.00 32.23 H new ATOM 0 HA GLU A 34 2.862 -7.032 -2.176 1.00 51.52 H new ATOM 0 HB2 GLU A 34 0.694 -7.782 -1.124 1.00 21.34 H new ATOM 0 HB3 GLU A 34 1.123 -9.434 -1.525 1.00 21.34 H new ATOM 0 HG2 GLU A 34 2.952 -7.715 0.188 1.00 74.42 H new ATOM 0 HG3 GLU A 34 1.584 -8.557 0.889 1.00 74.42 H new ATOM 592 N THR A 35 4.700 -8.703 -2.578 1.00 30.41 N ATOM 593 CA THR A 35 5.856 -9.501 -3.015 1.00 72.44 C ATOM 594 C THR A 35 6.894 -9.563 -1.880 1.00 62.15 C ATOM 595 O THR A 35 7.523 -8.554 -1.561 1.00 51.20 O ATOM 596 CB THR A 35 6.496 -8.878 -4.309 1.00 52.35 C ATOM 597 OG1 THR A 35 5.506 -8.784 -5.348 1.00 34.23 O ATOM 598 CG2 THR A 35 7.702 -9.685 -4.829 1.00 51.25 C ATOM 0 H THR A 35 4.951 -7.933 -1.957 1.00 30.41 H new ATOM 0 HA THR A 35 5.524 -10.511 -3.253 1.00 72.44 H new ATOM 0 HB THR A 35 6.859 -7.888 -4.035 1.00 52.35 H new ATOM 0 HG1 THR A 35 5.910 -8.394 -6.151 1.00 34.23 H new ATOM 0 HG21 THR A 35 8.101 -9.207 -5.723 1.00 51.25 H new ATOM 0 HG22 THR A 35 8.474 -9.721 -4.061 1.00 51.25 H new ATOM 0 HG23 THR A 35 7.384 -10.699 -5.071 1.00 51.25 H new ATOM 606 N THR A 36 7.060 -10.748 -1.259 1.00 74.10 N ATOM 607 CA THR A 36 8.040 -10.944 -0.178 1.00 63.22 C ATOM 608 C THR A 36 9.447 -11.046 -0.796 1.00 1.44 C ATOM 609 O THR A 36 9.833 -12.077 -1.360 1.00 73.14 O ATOM 610 CB THR A 36 7.700 -12.213 0.678 1.00 3.14 C ATOM 611 OG1 THR A 36 6.336 -12.126 1.157 1.00 64.10 O ATOM 612 CG2 THR A 36 8.654 -12.369 1.884 1.00 42.03 C ATOM 0 H THR A 36 6.525 -11.585 -1.491 1.00 74.10 H new ATOM 0 HA THR A 36 8.004 -10.091 0.500 1.00 63.22 H new ATOM 0 HB THR A 36 7.822 -13.086 0.036 1.00 3.14 H new ATOM 0 HG1 THR A 36 5.938 -11.282 0.859 1.00 64.10 H new ATOM 0 HG21 THR A 36 8.383 -13.260 2.450 1.00 42.03 H new ATOM 0 HG22 THR A 36 9.679 -12.464 1.527 1.00 42.03 H new ATOM 0 HG23 THR A 36 8.574 -11.493 2.527 1.00 42.03 H new ATOM 620 N ARG A 37 10.187 -9.934 -0.711 1.00 33.33 N ATOM 621 CA ARG A 37 11.437 -9.723 -1.447 1.00 44.41 C ATOM 622 C ARG A 37 12.595 -9.472 -0.466 1.00 42.33 C ATOM 623 O ARG A 37 12.673 -8.406 0.154 1.00 2.24 O ATOM 624 CB ARG A 37 11.237 -8.518 -2.406 1.00 51.21 C ATOM 625 CG ARG A 37 12.415 -8.216 -3.349 1.00 62.33 C ATOM 626 CD ARG A 37 12.135 -6.988 -4.237 1.00 54.11 C ATOM 627 NE ARG A 37 13.219 -6.705 -5.190 1.00 55.42 N ATOM 628 CZ ARG A 37 13.302 -5.593 -5.946 1.00 60.11 C ATOM 629 NH1 ARG A 37 12.372 -4.637 -5.865 1.00 24.23 N ATOM 630 NH2 ARG A 37 14.309 -5.454 -6.793 1.00 43.33 N ATOM 0 H ARG A 37 9.929 -9.144 -0.120 1.00 33.33 H new ATOM 0 HA ARG A 37 11.692 -10.609 -2.029 1.00 44.41 H new ATOM 0 HB2 ARG A 37 10.349 -8.701 -3.011 1.00 51.21 H new ATOM 0 HB3 ARG A 37 11.037 -7.629 -1.807 1.00 51.21 H new ATOM 0 HG2 ARG A 37 13.316 -8.042 -2.761 1.00 62.33 H new ATOM 0 HG3 ARG A 37 12.608 -9.084 -3.979 1.00 62.33 H new ATOM 0 HD2 ARG A 37 11.208 -7.149 -4.788 1.00 54.11 H new ATOM 0 HD3 ARG A 37 11.981 -6.116 -3.602 1.00 54.11 H new ATOM 0 HE ARG A 37 13.960 -7.399 -5.285 1.00 55.42 H new ATOM 0 HH11 ARG A 37 11.586 -4.744 -5.224 1.00 24.23 H new ATOM 0 HH12 ARG A 37 12.449 -3.801 -6.444 1.00 24.23 H new ATOM 0 HH21 ARG A 37 15.015 -6.186 -6.870 1.00 43.33 H new ATOM 0 HH22 ARG A 37 14.379 -4.615 -7.369 1.00 43.33 H new ATOM 644 N ASN A 38 13.451 -10.495 -0.304 1.00 3.51 N ATOM 645 CA ASN A 38 14.705 -10.430 0.497 1.00 24.01 C ATOM 646 C ASN A 38 14.418 -10.243 2.014 1.00 24.00 C ATOM 647 O ASN A 38 15.335 -9.952 2.791 1.00 45.52 O ATOM 648 CB ASN A 38 15.661 -9.308 -0.042 1.00 55.11 C ATOM 649 CG ASN A 38 16.209 -9.509 -1.477 1.00 2.00 C ATOM 650 OD1 ASN A 38 15.439 -10.120 -2.371 1.00 22.32 O flip ATOM 651 ND2 ASN A 38 17.318 -9.077 -1.785 1.00 20.12 N flip ATOM 0 H ASN A 38 13.297 -11.409 -0.729 1.00 3.51 H new ATOM 0 HA ASN A 38 15.211 -11.389 0.383 1.00 24.01 H new ATOM 0 HB2 ASN A 38 15.128 -8.358 -0.009 1.00 55.11 H new ATOM 0 HB3 ASN A 38 16.507 -9.222 0.639 1.00 55.11 H new ATOM 0 HD21 ASN A 38 17.896 -8.611 -1.086 1.00 20.12 H new ATOM 0 HD22 ASN A 38 17.660 -9.185 -2.740 1.00 20.12 H new ATOM 658 N GLY A 39 13.162 -10.514 2.429 1.00 20.40 N ATOM 659 CA GLY A 39 12.696 -10.276 3.803 1.00 61.15 C ATOM 660 C GLY A 39 11.790 -9.052 3.917 1.00 22.12 C ATOM 661 O GLY A 39 10.985 -8.964 4.853 1.00 53.04 O ATOM 0 H GLY A 39 12.446 -10.904 1.817 1.00 20.40 H new ATOM 0 HA2 GLY A 39 12.157 -11.155 4.157 1.00 61.15 H new ATOM 0 HA3 GLY A 39 13.558 -10.146 4.457 1.00 61.15 H new ATOM 665 N ARG A 40 11.906 -8.104 2.963 1.00 71.10 N ATOM 666 CA ARG A 40 11.028 -6.918 2.892 1.00 53.31 C ATOM 667 C ARG A 40 9.871 -7.210 1.938 1.00 14.24 C ATOM 668 O ARG A 40 10.080 -7.339 0.725 1.00 5.14 O ATOM 669 CB ARG A 40 11.786 -5.649 2.401 1.00 63.10 C ATOM 670 CG ARG A 40 12.952 -5.193 3.288 1.00 70.21 C ATOM 671 CD ARG A 40 12.536 -4.868 4.734 1.00 53.12 C ATOM 672 NE ARG A 40 13.680 -4.374 5.518 1.00 22.34 N ATOM 673 CZ ARG A 40 13.768 -4.368 6.855 1.00 21.03 C ATOM 674 NH1 ARG A 40 12.777 -4.834 7.605 1.00 24.15 N ATOM 675 NH2 ARG A 40 14.860 -3.904 7.438 1.00 3.51 N ATOM 0 H ARG A 40 12.608 -8.139 2.224 1.00 71.10 H new ATOM 0 HA ARG A 40 10.663 -6.716 3.899 1.00 53.31 H new ATOM 0 HB2 ARG A 40 12.168 -5.840 1.398 1.00 63.10 H new ATOM 0 HB3 ARG A 40 11.072 -4.829 2.319 1.00 63.10 H new ATOM 0 HG2 ARG A 40 13.712 -5.974 3.304 1.00 70.21 H new ATOM 0 HG3 ARG A 40 13.412 -4.310 2.844 1.00 70.21 H new ATOM 0 HD2 ARG A 40 11.745 -4.118 4.728 1.00 53.12 H new ATOM 0 HD3 ARG A 40 12.126 -5.760 5.207 1.00 53.12 H new ATOM 0 HE ARG A 40 14.475 -4.004 4.998 1.00 22.34 H new ATOM 0 HH11 ARG A 40 11.934 -5.203 7.165 1.00 24.15 H new ATOM 0 HH12 ARG A 40 12.858 -4.823 8.622 1.00 24.15 H new ATOM 0 HH21 ARG A 40 15.631 -3.552 6.870 1.00 3.51 H new ATOM 0 HH22 ARG A 40 14.931 -3.897 8.455 1.00 3.51 H new ATOM 689 N ARG A 41 8.662 -7.324 2.480 1.00 52.51 N ATOM 690 CA ARG A 41 7.453 -7.491 1.671 1.00 1.11 C ATOM 691 C ARG A 41 7.069 -6.124 1.081 1.00 61.13 C ATOM 692 O ARG A 41 6.820 -5.178 1.833 1.00 73.44 O ATOM 693 CB ARG A 41 6.307 -8.079 2.526 1.00 11.32 C ATOM 694 CG ARG A 41 6.617 -9.450 3.153 1.00 15.33 C ATOM 695 CD ARG A 41 5.450 -10.015 3.984 1.00 11.12 C ATOM 696 NE ARG A 41 5.681 -11.423 4.386 1.00 31.54 N ATOM 697 CZ ARG A 41 5.812 -11.865 5.647 1.00 3.32 C ATOM 698 NH1 ARG A 41 5.763 -11.024 6.667 1.00 13.12 N ATOM 699 NH2 ARG A 41 5.966 -13.156 5.875 1.00 23.55 N ATOM 0 H ARG A 41 8.490 -7.304 3.485 1.00 52.51 H new ATOM 0 HA ARG A 41 7.639 -8.193 0.858 1.00 1.11 H new ATOM 0 HB2 ARG A 41 6.067 -7.375 3.323 1.00 11.32 H new ATOM 0 HB3 ARG A 41 5.417 -8.171 1.904 1.00 11.32 H new ATOM 0 HG2 ARG A 41 6.866 -10.156 2.361 1.00 15.33 H new ATOM 0 HG3 ARG A 41 7.498 -9.361 3.789 1.00 15.33 H new ATOM 0 HD2 ARG A 41 5.310 -9.403 4.875 1.00 11.12 H new ATOM 0 HD3 ARG A 41 4.529 -9.950 3.405 1.00 11.12 H new ATOM 0 HE ARG A 41 5.746 -12.116 3.640 1.00 31.54 H new ATOM 0 HH11 ARG A 41 5.624 -10.027 6.500 1.00 13.12 H new ATOM 0 HH12 ARG A 41 5.864 -11.372 7.620 1.00 13.12 H new ATOM 0 HH21 ARG A 41 5.985 -13.813 5.095 1.00 23.55 H new ATOM 0 HH22 ARG A 41 6.066 -13.497 6.831 1.00 23.55 H new ATOM 713 N GLN A 42 7.105 -6.003 -0.253 1.00 0.23 N ATOM 714 CA GLN A 42 6.689 -4.785 -0.964 1.00 63.22 C ATOM 715 C GLN A 42 5.256 -4.936 -1.489 1.00 33.45 C ATOM 716 O GLN A 42 4.954 -5.845 -2.275 1.00 40.14 O ATOM 717 CB GLN A 42 7.662 -4.434 -2.128 1.00 13.11 C ATOM 718 CG GLN A 42 7.991 -5.582 -3.105 1.00 32.11 C ATOM 719 CD GLN A 42 8.546 -5.098 -4.445 1.00 22.31 C ATOM 720 OE1 GLN A 42 9.751 -4.918 -4.614 1.00 71.14 O ATOM 721 NE2 GLN A 42 7.653 -4.869 -5.395 1.00 14.02 N ATOM 0 H GLN A 42 7.424 -6.749 -0.872 1.00 0.23 H new ATOM 0 HA GLN A 42 6.720 -3.961 -0.251 1.00 63.22 H new ATOM 0 HB2 GLN A 42 7.232 -3.610 -2.698 1.00 13.11 H new ATOM 0 HB3 GLN A 42 8.595 -4.071 -1.698 1.00 13.11 H new ATOM 0 HG2 GLN A 42 8.716 -6.249 -2.639 1.00 32.11 H new ATOM 0 HG3 GLN A 42 7.089 -6.167 -3.284 1.00 32.11 H new ATOM 0 HE21 GLN A 42 6.662 -5.031 -5.214 1.00 14.02 H new ATOM 0 HE22 GLN A 42 7.955 -4.530 -6.308 1.00 14.02 H new ATOM 730 N LEU A 43 4.372 -4.046 -1.032 1.00 35.33 N ATOM 731 CA LEU A 43 2.980 -3.973 -1.486 1.00 14.03 C ATOM 732 C LEU A 43 2.852 -2.710 -2.358 1.00 44.31 C ATOM 733 O LEU A 43 2.948 -1.596 -1.846 1.00 21.54 O ATOM 734 CB LEU A 43 2.027 -3.925 -0.249 1.00 30.33 C ATOM 735 CG LEU A 43 0.583 -4.504 -0.424 1.00 74.43 C ATOM 736 CD1 LEU A 43 -0.188 -4.444 0.907 1.00 45.32 C ATOM 737 CD2 LEU A 43 -0.202 -3.803 -1.544 1.00 14.11 C ATOM 0 H LEU A 43 4.605 -3.347 -0.327 1.00 35.33 H new ATOM 0 HA LEU A 43 2.700 -4.849 -2.071 1.00 14.03 H new ATOM 0 HB2 LEU A 43 2.508 -4.464 0.567 1.00 30.33 H new ATOM 0 HB3 LEU A 43 1.936 -2.885 0.065 1.00 30.33 H new ATOM 0 HG LEU A 43 0.691 -5.547 -0.723 1.00 74.43 H new ATOM 0 HD11 LEU A 43 -1.189 -4.851 0.766 1.00 45.32 H new ATOM 0 HD12 LEU A 43 0.339 -5.030 1.660 1.00 45.32 H new ATOM 0 HD13 LEU A 43 -0.260 -3.408 1.239 1.00 45.32 H new ATOM 0 HD21 LEU A 43 -1.196 -4.243 -1.622 1.00 14.11 H new ATOM 0 HD22 LEU A 43 -0.293 -2.741 -1.315 1.00 14.11 H new ATOM 0 HD23 LEU A 43 0.325 -3.927 -2.490 1.00 14.11 H new ATOM 749 N THR A 44 2.671 -2.915 -3.667 1.00 60.42 N ATOM 750 CA THR A 44 2.447 -1.842 -4.636 1.00 54.51 C ATOM 751 C THR A 44 0.926 -1.587 -4.784 1.00 64.14 C ATOM 752 O THR A 44 0.210 -2.434 -5.311 1.00 23.12 O ATOM 753 CB THR A 44 3.096 -2.214 -6.015 1.00 52.31 C ATOM 754 OG1 THR A 44 4.522 -2.383 -5.859 1.00 65.01 O ATOM 755 CG2 THR A 44 2.824 -1.147 -7.089 1.00 21.42 C ATOM 0 H THR A 44 2.676 -3.845 -4.087 1.00 60.42 H new ATOM 0 HA THR A 44 2.919 -0.926 -4.281 1.00 54.51 H new ATOM 0 HB THR A 44 2.641 -3.147 -6.346 1.00 52.31 H new ATOM 0 HG1 THR A 44 4.887 -2.828 -6.652 1.00 65.01 H new ATOM 0 HG21 THR A 44 3.292 -1.447 -8.027 1.00 21.42 H new ATOM 0 HG22 THR A 44 1.749 -1.045 -7.237 1.00 21.42 H new ATOM 0 HG23 THR A 44 3.238 -0.192 -6.766 1.00 21.42 H new ATOM 763 N ILE A 45 0.460 -0.424 -4.293 1.00 3.44 N ATOM 764 CA ILE A 45 -0.952 -0.009 -4.327 1.00 23.31 C ATOM 765 C ILE A 45 -1.153 0.935 -5.526 1.00 35.13 C ATOM 766 O ILE A 45 -0.415 1.910 -5.686 1.00 22.33 O ATOM 767 CB ILE A 45 -1.358 0.727 -2.993 1.00 1.13 C ATOM 768 CG1 ILE A 45 -1.035 -0.167 -1.750 1.00 30.20 C ATOM 769 CG2 ILE A 45 -2.851 1.143 -3.012 1.00 64.54 C ATOM 770 CD1 ILE A 45 -1.381 0.451 -0.406 1.00 12.50 C ATOM 0 H ILE A 45 1.068 0.267 -3.853 1.00 3.44 H new ATOM 0 HA ILE A 45 -1.584 -0.892 -4.427 1.00 23.31 H new ATOM 0 HB ILE A 45 -0.766 1.639 -2.917 1.00 1.13 H new ATOM 0 HG12 ILE A 45 -1.574 -1.109 -1.849 1.00 30.20 H new ATOM 0 HG13 ILE A 45 0.028 -0.406 -1.760 1.00 30.20 H new ATOM 0 HG21 ILE A 45 -3.100 1.648 -2.079 1.00 64.54 H new ATOM 0 HG22 ILE A 45 -3.030 1.818 -3.849 1.00 64.54 H new ATOM 0 HG23 ILE A 45 -3.475 0.256 -3.122 1.00 64.54 H new ATOM 0 HD11 ILE A 45 -1.120 -0.244 0.392 1.00 12.50 H new ATOM 0 HD12 ILE A 45 -0.822 1.378 -0.277 1.00 12.50 H new ATOM 0 HD13 ILE A 45 -2.449 0.664 -0.368 1.00 12.50 H new ATOM 782 N ARG A 46 -2.145 0.625 -6.366 1.00 40.21 N ATOM 783 CA ARG A 46 -2.429 1.350 -7.613 1.00 52.03 C ATOM 784 C ARG A 46 -3.934 1.671 -7.683 1.00 14.01 C ATOM 785 O ARG A 46 -4.777 0.804 -7.413 1.00 60.12 O ATOM 786 CB ARG A 46 -2.021 0.489 -8.842 1.00 62.42 C ATOM 787 CG ARG A 46 -0.521 0.115 -8.944 1.00 63.10 C ATOM 788 CD ARG A 46 -0.227 -0.735 -10.197 1.00 61.13 C ATOM 789 NE ARG A 46 1.183 -1.160 -10.308 1.00 63.23 N ATOM 790 CZ ARG A 46 1.641 -2.040 -11.225 1.00 32.53 C ATOM 791 NH1 ARG A 46 0.814 -2.587 -12.112 1.00 11.23 N ATOM 792 NH2 ARG A 46 2.926 -2.371 -11.254 1.00 23.52 N ATOM 0 H ARG A 46 -2.786 -0.150 -6.197 1.00 40.21 H new ATOM 0 HA ARG A 46 -1.853 2.276 -7.627 1.00 52.03 H new ATOM 0 HB2 ARG A 46 -2.604 -0.432 -8.824 1.00 62.42 H new ATOM 0 HB3 ARG A 46 -2.303 1.027 -9.747 1.00 62.42 H new ATOM 0 HG2 ARG A 46 0.079 1.024 -8.973 1.00 63.10 H new ATOM 0 HG3 ARG A 46 -0.222 -0.436 -8.052 1.00 63.10 H new ATOM 0 HD2 ARG A 46 -0.864 -1.619 -10.183 1.00 61.13 H new ATOM 0 HD3 ARG A 46 -0.496 -0.163 -11.085 1.00 61.13 H new ATOM 0 HE ARG A 46 1.854 -0.764 -9.650 1.00 63.23 H new ATOM 0 HH11 ARG A 46 -0.176 -2.343 -12.104 1.00 11.23 H new ATOM 0 HH12 ARG A 46 1.170 -3.250 -12.800 1.00 11.23 H new ATOM 0 HH21 ARG A 46 3.574 -1.960 -10.582 1.00 23.52 H new ATOM 0 HH22 ARG A 46 3.266 -3.036 -11.949 1.00 23.52 H new ATOM 806 N SER A 47 -4.258 2.915 -8.058 1.00 25.03 N ATOM 807 CA SER A 47 -5.643 3.371 -8.267 1.00 73.31 C ATOM 808 C SER A 47 -5.706 4.297 -9.492 1.00 31.13 C ATOM 809 O SER A 47 -4.672 4.768 -9.990 1.00 70.43 O ATOM 810 CB SER A 47 -6.182 4.090 -7.000 1.00 55.43 C ATOM 811 OG SER A 47 -7.526 4.532 -7.162 1.00 3.00 O ATOM 0 H SER A 47 -3.562 3.641 -8.227 1.00 25.03 H new ATOM 0 HA SER A 47 -6.277 2.504 -8.451 1.00 73.31 H new ATOM 0 HB2 SER A 47 -6.125 3.413 -6.148 1.00 55.43 H new ATOM 0 HB3 SER A 47 -5.545 4.945 -6.771 1.00 55.43 H new ATOM 0 HG SER A 47 -7.825 4.977 -6.342 1.00 3.00 H new ATOM 817 N ASN A 48 -6.940 4.550 -9.946 1.00 60.22 N ATOM 818 CA ASN A 48 -7.245 5.388 -11.123 1.00 45.13 C ATOM 819 C ASN A 48 -7.099 6.889 -10.810 1.00 60.24 C ATOM 820 O ASN A 48 -7.110 7.721 -11.726 1.00 75.05 O ATOM 821 CB ASN A 48 -8.684 5.090 -11.619 1.00 44.43 C ATOM 822 CG ASN A 48 -9.765 5.512 -10.610 1.00 45.23 C ATOM 823 OD1 ASN A 48 -10.297 6.623 -10.682 1.00 42.14 O ATOM 824 ND2 ASN A 48 -10.060 4.658 -9.637 1.00 64.11 N ATOM 0 H ASN A 48 -7.775 4.172 -9.499 1.00 60.22 H new ATOM 0 HA ASN A 48 -6.526 5.141 -11.904 1.00 45.13 H new ATOM 0 HB2 ASN A 48 -8.852 5.609 -12.562 1.00 44.43 H new ATOM 0 HB3 ASN A 48 -8.779 4.023 -11.821 1.00 44.43 H new ATOM 0 HD21 ASN A 48 -10.743 4.914 -8.923 1.00 64.11 H new ATOM 0 HD22 ASN A 48 -9.604 3.746 -9.603 1.00 64.11 H new ATOM 831 N ASP A 49 -6.958 7.233 -9.521 1.00 4.24 N ATOM 832 CA ASP A 49 -6.906 8.625 -9.065 1.00 3.22 C ATOM 833 C ASP A 49 -5.868 8.812 -7.951 1.00 71.51 C ATOM 834 O ASP A 49 -5.681 7.930 -7.093 1.00 63.14 O ATOM 835 CB ASP A 49 -8.300 9.084 -8.580 1.00 21.43 C ATOM 836 CG ASP A 49 -8.313 10.543 -8.099 1.00 1.24 C ATOM 837 OD1 ASP A 49 -8.087 11.462 -8.920 1.00 21.31 O ATOM 838 OD2 ASP A 49 -8.509 10.781 -6.895 1.00 51.35 O ATOM 0 H ASP A 49 -6.877 6.551 -8.767 1.00 4.24 H new ATOM 0 HA ASP A 49 -6.603 9.241 -9.911 1.00 3.22 H new ATOM 0 HB2 ASP A 49 -9.018 8.967 -9.391 1.00 21.43 H new ATOM 0 HB3 ASP A 49 -8.629 8.436 -7.768 1.00 21.43 H new ATOM 843 N LYS A 50 -5.212 9.985 -7.986 1.00 11.32 N ATOM 844 CA LYS A 50 -4.189 10.391 -7.021 1.00 64.04 C ATOM 845 C LYS A 50 -4.772 10.625 -5.622 1.00 60.41 C ATOM 846 O LYS A 50 -4.245 10.090 -4.660 1.00 12.23 O ATOM 847 CB LYS A 50 -3.428 11.668 -7.512 1.00 14.24 C ATOM 848 CG LYS A 50 -2.274 11.418 -8.515 1.00 0.10 C ATOM 849 CD LYS A 50 -0.905 11.085 -7.850 1.00 44.50 C ATOM 850 CE LYS A 50 -0.863 9.742 -7.102 1.00 0.44 C ATOM 851 NZ LYS A 50 0.517 9.385 -6.653 1.00 1.13 N ATOM 0 H LYS A 50 -5.386 10.689 -8.704 1.00 11.32 H new ATOM 0 HA LYS A 50 -3.481 9.566 -6.949 1.00 64.04 H new ATOM 0 HB2 LYS A 50 -4.148 12.342 -7.976 1.00 14.24 H new ATOM 0 HB3 LYS A 50 -3.023 12.184 -6.642 1.00 14.24 H new ATOM 0 HG2 LYS A 50 -2.553 10.596 -9.174 1.00 0.10 H new ATOM 0 HG3 LYS A 50 -2.155 12.302 -9.141 1.00 0.10 H new ATOM 0 HD2 LYS A 50 -0.134 11.080 -8.620 1.00 44.50 H new ATOM 0 HD3 LYS A 50 -0.653 11.883 -7.151 1.00 44.50 H new ATOM 0 HE2 LYS A 50 -1.523 9.790 -6.236 1.00 0.44 H new ATOM 0 HE3 LYS A 50 -1.246 8.955 -7.751 1.00 0.44 H new ATOM 0 HZ1 LYS A 50 0.669 8.363 -6.776 1.00 1.13 H new ATOM 0 HZ2 LYS A 50 1.213 9.909 -7.221 1.00 1.13 H new ATOM 0 HZ3 LYS A 50 0.631 9.634 -5.650 1.00 1.13 H new ATOM 865 N ASN A 51 -5.861 11.408 -5.531 1.00 1.13 N ATOM 866 CA ASN A 51 -6.470 11.786 -4.226 1.00 31.01 C ATOM 867 C ASN A 51 -6.945 10.534 -3.475 1.00 34.53 C ATOM 868 O ASN A 51 -6.800 10.429 -2.248 1.00 65.45 O ATOM 869 CB ASN A 51 -7.666 12.767 -4.411 1.00 70.32 C ATOM 870 CG ASN A 51 -7.339 13.953 -5.316 1.00 43.14 C ATOM 871 OD1 ASN A 51 -6.831 14.982 -4.864 1.00 54.44 O ATOM 872 ND2 ASN A 51 -7.626 13.818 -6.602 1.00 30.42 N ATOM 0 H ASN A 51 -6.344 11.796 -6.341 1.00 1.13 H new ATOM 0 HA ASN A 51 -5.701 12.292 -3.643 1.00 31.01 H new ATOM 0 HB2 ASN A 51 -8.513 12.222 -4.829 1.00 70.32 H new ATOM 0 HB3 ASN A 51 -7.977 13.139 -3.435 1.00 70.32 H new ATOM 0 HD21 ASN A 51 -7.427 14.579 -7.252 1.00 30.42 H new ATOM 0 HD22 ASN A 51 -8.046 12.953 -6.943 1.00 30.42 H new ATOM 879 N GLU A 52 -7.481 9.583 -4.249 1.00 51.25 N ATOM 880 CA GLU A 52 -7.966 8.309 -3.732 1.00 3.42 C ATOM 881 C GLU A 52 -6.808 7.462 -3.167 1.00 50.13 C ATOM 882 O GLU A 52 -6.838 7.059 -1.996 1.00 75.40 O ATOM 883 CB GLU A 52 -8.701 7.527 -4.851 1.00 32.33 C ATOM 884 CG GLU A 52 -9.329 6.204 -4.376 1.00 30.21 C ATOM 885 CD GLU A 52 -10.382 6.403 -3.266 1.00 73.34 C ATOM 886 OE1 GLU A 52 -11.542 6.729 -3.596 1.00 51.22 O ATOM 887 OE2 GLU A 52 -10.054 6.265 -2.062 1.00 4.24 O ATOM 0 H GLU A 52 -7.589 9.682 -5.258 1.00 51.25 H new ATOM 0 HA GLU A 52 -8.663 8.515 -2.920 1.00 3.42 H new ATOM 0 HB2 GLU A 52 -9.483 8.160 -5.270 1.00 32.33 H new ATOM 0 HB3 GLU A 52 -7.997 7.316 -5.656 1.00 32.33 H new ATOM 0 HG2 GLU A 52 -9.794 5.703 -5.225 1.00 30.21 H new ATOM 0 HG3 GLU A 52 -8.542 5.545 -4.009 1.00 30.21 H new ATOM 894 N VAL A 53 -5.788 7.210 -4.011 1.00 65.53 N ATOM 895 CA VAL A 53 -4.646 6.349 -3.645 1.00 54.44 C ATOM 896 C VAL A 53 -3.804 7.011 -2.517 1.00 13.42 C ATOM 897 O VAL A 53 -3.227 6.324 -1.674 1.00 41.43 O ATOM 898 CB VAL A 53 -3.768 5.991 -4.922 1.00 32.13 C ATOM 899 CG1 VAL A 53 -2.765 7.098 -5.301 1.00 35.43 C ATOM 900 CG2 VAL A 53 -3.077 4.614 -4.787 1.00 21.24 C ATOM 0 H VAL A 53 -5.732 7.593 -4.955 1.00 65.53 H new ATOM 0 HA VAL A 53 -5.030 5.407 -3.254 1.00 54.44 H new ATOM 0 HB VAL A 53 -4.471 5.923 -5.752 1.00 32.13 H new ATOM 0 HG11 VAL A 53 -2.198 6.790 -6.180 1.00 35.43 H new ATOM 0 HG12 VAL A 53 -3.305 8.019 -5.522 1.00 35.43 H new ATOM 0 HG13 VAL A 53 -2.081 7.269 -4.470 1.00 35.43 H new ATOM 0 HG21 VAL A 53 -2.489 4.413 -5.682 1.00 21.24 H new ATOM 0 HG22 VAL A 53 -2.422 4.620 -3.916 1.00 21.24 H new ATOM 0 HG23 VAL A 53 -3.833 3.838 -4.667 1.00 21.24 H new ATOM 910 N ASP A 54 -3.829 8.360 -2.476 1.00 50.32 N ATOM 911 CA ASP A 54 -3.087 9.166 -1.482 1.00 0.03 C ATOM 912 C ASP A 54 -3.820 9.162 -0.132 1.00 63.12 C ATOM 913 O ASP A 54 -3.204 9.350 0.916 1.00 31.24 O ATOM 914 CB ASP A 54 -2.913 10.618 -1.995 1.00 23.14 C ATOM 915 CG ASP A 54 -2.075 11.503 -1.059 1.00 41.23 C ATOM 916 OD1 ASP A 54 -0.830 11.367 -1.064 1.00 52.12 O ATOM 917 OD2 ASP A 54 -2.652 12.326 -0.310 1.00 54.44 O ATOM 0 H ASP A 54 -4.367 8.924 -3.134 1.00 50.32 H new ATOM 0 HA ASP A 54 -2.101 8.723 -1.341 1.00 0.03 H new ATOM 0 HB2 ASP A 54 -2.442 10.594 -2.977 1.00 23.14 H new ATOM 0 HB3 ASP A 54 -3.897 11.069 -2.125 1.00 23.14 H new ATOM 922 N ARG A 55 -5.145 8.950 -0.174 1.00 31.20 N ATOM 923 CA ARG A 55 -5.960 8.787 1.047 1.00 54.42 C ATOM 924 C ARG A 55 -5.649 7.440 1.728 1.00 42.41 C ATOM 925 O ARG A 55 -5.695 7.326 2.962 1.00 11.43 O ATOM 926 CB ARG A 55 -7.465 8.929 0.716 1.00 65.53 C ATOM 927 CG ARG A 55 -8.428 8.713 1.910 1.00 75.20 C ATOM 928 CD ARG A 55 -9.834 9.269 1.631 1.00 65.02 C ATOM 929 NE ARG A 55 -10.397 8.775 0.354 1.00 72.10 N ATOM 930 CZ ARG A 55 -11.044 9.528 -0.551 1.00 25.31 C ATOM 931 NH1 ARG A 55 -11.224 10.834 -0.346 1.00 34.14 N ATOM 932 NH2 ARG A 55 -11.522 8.961 -1.649 1.00 74.10 N ATOM 0 H ARG A 55 -5.678 8.887 -1.041 1.00 31.20 H new ATOM 0 HA ARG A 55 -5.702 9.578 1.752 1.00 54.42 H new ATOM 0 HB2 ARG A 55 -7.638 9.924 0.306 1.00 65.53 H new ATOM 0 HB3 ARG A 55 -7.717 8.214 -0.067 1.00 65.53 H new ATOM 0 HG2 ARG A 55 -8.498 7.648 2.130 1.00 75.20 H new ATOM 0 HG3 ARG A 55 -8.018 9.196 2.797 1.00 75.20 H new ATOM 0 HD2 ARG A 55 -10.499 8.992 2.449 1.00 65.02 H new ATOM 0 HD3 ARG A 55 -9.793 10.358 1.609 1.00 65.02 H new ATOM 0 HE ARG A 55 -10.285 7.783 0.144 1.00 72.10 H new ATOM 0 HH11 ARG A 55 -10.869 11.270 0.505 1.00 34.14 H new ATOM 0 HH12 ARG A 55 -11.717 11.396 -1.040 1.00 34.14 H new ATOM 0 HH21 ARG A 55 -11.397 7.960 -1.802 1.00 74.10 H new ATOM 0 HH22 ARG A 55 -12.015 9.525 -2.341 1.00 74.10 H new ATOM 946 N ILE A 56 -5.310 6.438 0.903 1.00 35.43 N ATOM 947 CA ILE A 56 -4.809 5.133 1.378 1.00 64.11 C ATOM 948 C ILE A 56 -3.382 5.316 1.954 1.00 53.31 C ATOM 949 O ILE A 56 -3.022 4.709 2.970 1.00 51.15 O ATOM 950 CB ILE A 56 -4.798 4.074 0.203 1.00 12.30 C ATOM 951 CG1 ILE A 56 -6.210 3.993 -0.482 1.00 54.20 C ATOM 952 CG2 ILE A 56 -4.331 2.678 0.699 1.00 24.44 C ATOM 953 CD1 ILE A 56 -6.267 3.134 -1.738 1.00 51.15 C ATOM 0 H ILE A 56 -5.374 6.506 -0.113 1.00 35.43 H new ATOM 0 HA ILE A 56 -5.472 4.759 2.158 1.00 64.11 H new ATOM 0 HB ILE A 56 -4.077 4.409 -0.543 1.00 12.30 H new ATOM 0 HG12 ILE A 56 -6.926 3.601 0.241 1.00 54.20 H new ATOM 0 HG13 ILE A 56 -6.533 5.003 -0.735 1.00 54.20 H new ATOM 0 HG21 ILE A 56 -4.336 1.975 -0.134 1.00 24.44 H new ATOM 0 HG22 ILE A 56 -3.322 2.754 1.103 1.00 24.44 H new ATOM 0 HG23 ILE A 56 -5.008 2.323 1.476 1.00 24.44 H new ATOM 0 HD11 ILE A 56 -7.281 3.140 -2.137 1.00 51.15 H new ATOM 0 HD12 ILE A 56 -5.581 3.534 -2.484 1.00 51.15 H new ATOM 0 HD13 ILE A 56 -5.980 2.111 -1.493 1.00 51.15 H new ATOM 965 N LEU A 57 -2.600 6.193 1.288 1.00 11.34 N ATOM 966 CA LEU A 57 -1.198 6.483 1.635 1.00 52.44 C ATOM 967 C LEU A 57 -1.050 7.172 3.002 1.00 1.54 C ATOM 968 O LEU A 57 -0.189 6.787 3.799 1.00 2.14 O ATOM 969 CB LEU A 57 -0.547 7.367 0.544 1.00 44.35 C ATOM 970 CG LEU A 57 0.969 7.699 0.726 1.00 32.51 C ATOM 971 CD1 LEU A 57 1.806 6.425 0.920 1.00 73.33 C ATOM 972 CD2 LEU A 57 1.492 8.539 -0.459 1.00 50.33 C ATOM 0 H LEU A 57 -2.933 6.725 0.484 1.00 11.34 H new ATOM 0 HA LEU A 57 -0.689 5.521 1.695 1.00 52.44 H new ATOM 0 HB2 LEU A 57 -0.674 6.870 -0.418 1.00 44.35 H new ATOM 0 HB3 LEU A 57 -1.098 8.306 0.493 1.00 44.35 H new ATOM 0 HG LEU A 57 1.073 8.294 1.633 1.00 32.51 H new ATOM 0 HD11 LEU A 57 2.855 6.694 1.043 1.00 73.33 H new ATOM 0 HD12 LEU A 57 1.461 5.894 1.807 1.00 73.33 H new ATOM 0 HD13 LEU A 57 1.697 5.781 0.047 1.00 73.33 H new ATOM 0 HD21 LEU A 57 2.549 8.758 -0.311 1.00 50.33 H new ATOM 0 HD22 LEU A 57 1.364 7.980 -1.386 1.00 50.33 H new ATOM 0 HD23 LEU A 57 0.933 9.473 -0.518 1.00 50.33 H new ATOM 984 N GLU A 58 -1.852 8.207 3.254 1.00 74.05 N ATOM 985 CA GLU A 58 -1.791 8.939 4.529 1.00 34.43 C ATOM 986 C GLU A 58 -2.218 8.031 5.690 1.00 2.54 C ATOM 987 O GLU A 58 -1.609 8.070 6.762 1.00 33.12 O ATOM 988 CB GLU A 58 -2.642 10.232 4.465 1.00 41.40 C ATOM 989 CG GLU A 58 -4.145 10.022 4.205 1.00 72.20 C ATOM 990 CD GLU A 58 -4.905 11.333 3.958 1.00 52.32 C ATOM 991 OE1 GLU A 58 -5.185 12.054 4.936 1.00 51.30 O ATOM 992 OE2 GLU A 58 -5.213 11.653 2.788 1.00 31.34 O ATOM 0 H GLU A 58 -2.550 8.560 2.599 1.00 74.05 H new ATOM 0 HA GLU A 58 -0.759 9.241 4.709 1.00 34.43 H new ATOM 0 HB2 GLU A 58 -2.525 10.770 5.406 1.00 41.40 H new ATOM 0 HB3 GLU A 58 -2.241 10.872 3.679 1.00 41.40 H new ATOM 0 HG2 GLU A 58 -4.270 9.369 3.341 1.00 72.20 H new ATOM 0 HG3 GLU A 58 -4.587 9.509 5.059 1.00 72.20 H new ATOM 999 N GLU A 59 -3.207 7.158 5.416 1.00 65.53 N ATOM 1000 CA GLU A 59 -3.804 6.263 6.415 1.00 52.21 C ATOM 1001 C GLU A 59 -2.842 5.128 6.831 1.00 44.34 C ATOM 1002 O GLU A 59 -2.755 4.805 8.023 1.00 44.11 O ATOM 1003 CB GLU A 59 -5.124 5.677 5.871 1.00 74.41 C ATOM 1004 CG GLU A 59 -5.882 4.811 6.888 1.00 55.52 C ATOM 1005 CD GLU A 59 -7.119 4.125 6.299 1.00 31.12 C ATOM 1006 OE1 GLU A 59 -6.948 3.151 5.539 1.00 63.11 O ATOM 1007 OE2 GLU A 59 -8.262 4.534 6.612 1.00 14.43 O ATOM 0 H GLU A 59 -3.614 7.057 4.486 1.00 65.53 H new ATOM 0 HA GLU A 59 -4.008 6.853 7.308 1.00 52.21 H new ATOM 0 HB2 GLU A 59 -5.770 6.495 5.551 1.00 74.41 H new ATOM 0 HB3 GLU A 59 -4.908 5.078 4.987 1.00 74.41 H new ATOM 0 HG2 GLU A 59 -5.207 4.051 7.282 1.00 55.52 H new ATOM 0 HG3 GLU A 59 -6.187 5.434 7.729 1.00 55.52 H new ATOM 1014 N VAL A 60 -2.128 4.521 5.851 1.00 1.34 N ATOM 1015 CA VAL A 60 -1.150 3.436 6.137 1.00 44.33 C ATOM 1016 C VAL A 60 -0.012 3.944 7.028 1.00 65.30 C ATOM 1017 O VAL A 60 0.455 3.230 7.911 1.00 42.31 O ATOM 1018 CB VAL A 60 -0.566 2.746 4.840 1.00 24.22 C ATOM 1019 CG1 VAL A 60 0.085 3.740 3.873 1.00 20.33 C ATOM 1020 CG2 VAL A 60 0.439 1.616 5.197 1.00 5.52 C ATOM 0 H VAL A 60 -2.208 4.760 4.863 1.00 1.34 H new ATOM 0 HA VAL A 60 -1.711 2.667 6.668 1.00 44.33 H new ATOM 0 HB VAL A 60 -1.424 2.309 4.328 1.00 24.22 H new ATOM 0 HG11 VAL A 60 0.466 3.205 3.003 1.00 20.33 H new ATOM 0 HG12 VAL A 60 -0.655 4.473 3.552 1.00 20.33 H new ATOM 0 HG13 VAL A 60 0.907 4.250 4.375 1.00 20.33 H new ATOM 0 HG21 VAL A 60 0.820 1.165 4.281 1.00 5.52 H new ATOM 0 HG22 VAL A 60 1.269 2.034 5.768 1.00 5.52 H new ATOM 0 HG23 VAL A 60 -0.065 0.856 5.794 1.00 5.52 H new ATOM 1030 N ARG A 61 0.386 5.204 6.818 1.00 72.13 N ATOM 1031 CA ARG A 61 1.418 5.858 7.642 1.00 21.32 C ATOM 1032 C ARG A 61 0.916 6.051 9.094 1.00 4.52 C ATOM 1033 O ARG A 61 1.709 5.977 10.042 1.00 15.42 O ATOM 1034 CB ARG A 61 1.829 7.207 6.997 1.00 63.12 C ATOM 1035 CG ARG A 61 2.448 7.065 5.588 1.00 63.53 C ATOM 1036 CD ARG A 61 2.810 8.420 4.946 1.00 44.13 C ATOM 1037 NE ARG A 61 3.796 9.172 5.742 1.00 1.35 N ATOM 1038 CZ ARG A 61 4.490 10.248 5.322 1.00 22.13 C ATOM 1039 NH1 ARG A 61 4.336 10.738 4.090 1.00 54.15 N ATOM 1040 NH2 ARG A 61 5.319 10.842 6.161 1.00 44.23 N ATOM 0 H ARG A 61 0.008 5.798 6.080 1.00 72.13 H new ATOM 0 HA ARG A 61 2.300 5.219 7.685 1.00 21.32 H new ATOM 0 HB2 ARG A 61 0.952 7.851 6.934 1.00 63.12 H new ATOM 0 HB3 ARG A 61 2.545 7.707 7.649 1.00 63.12 H new ATOM 0 HG2 ARG A 61 3.345 6.449 5.652 1.00 63.53 H new ATOM 0 HG3 ARG A 61 1.746 6.539 4.941 1.00 63.53 H new ATOM 0 HD2 ARG A 61 3.208 8.250 3.945 1.00 44.13 H new ATOM 0 HD3 ARG A 61 1.906 9.018 4.832 1.00 44.13 H new ATOM 0 HE ARG A 61 3.968 8.850 6.694 1.00 1.35 H new ATOM 0 HH11 ARG A 61 3.682 10.297 3.444 1.00 54.15 H new ATOM 0 HH12 ARG A 61 4.873 11.554 3.795 1.00 54.15 H new ATOM 0 HH21 ARG A 61 5.426 10.485 7.110 1.00 44.23 H new ATOM 0 HH22 ARG A 61 5.852 11.658 5.860 1.00 44.23 H new ATOM 1054 N ARG A 62 -0.412 6.262 9.252 1.00 73.33 N ATOM 1055 CA ARG A 62 -1.054 6.413 10.580 1.00 24.31 C ATOM 1056 C ARG A 62 -1.210 5.042 11.279 1.00 33.43 C ATOM 1057 O ARG A 62 -1.166 4.971 12.508 1.00 10.40 O ATOM 1058 CB ARG A 62 -2.456 7.086 10.467 1.00 43.30 C ATOM 1059 CG ARG A 62 -2.515 8.435 9.722 1.00 0.20 C ATOM 1060 CD ARG A 62 -1.512 9.482 10.236 1.00 64.54 C ATOM 1061 NE ARG A 62 -1.701 9.806 11.668 1.00 15.02 N ATOM 1062 CZ ARG A 62 -2.123 10.989 12.161 1.00 64.44 C ATOM 1063 NH1 ARG A 62 -2.418 12.007 11.356 1.00 72.22 N ATOM 1064 NH2 ARG A 62 -2.212 11.161 13.475 1.00 1.41 N ATOM 0 H ARG A 62 -1.064 6.332 8.470 1.00 73.33 H new ATOM 0 HA ARG A 62 -0.402 7.053 11.174 1.00 24.31 H new ATOM 0 HB2 ARG A 62 -3.129 6.390 9.966 1.00 43.30 H new ATOM 0 HB3 ARG A 62 -2.845 7.236 11.474 1.00 43.30 H new ATOM 0 HG2 ARG A 62 -2.330 8.261 8.662 1.00 0.20 H new ATOM 0 HG3 ARG A 62 -3.523 8.841 9.807 1.00 0.20 H new ATOM 0 HD2 ARG A 62 -0.498 9.112 10.083 1.00 64.54 H new ATOM 0 HD3 ARG A 62 -1.611 10.393 9.646 1.00 64.54 H new ATOM 0 HE ARG A 62 -1.494 9.069 12.342 1.00 15.02 H new ATOM 0 HH11 ARG A 62 -2.327 11.901 10.346 1.00 72.22 H new ATOM 0 HH12 ARG A 62 -2.735 12.893 11.749 1.00 72.22 H new ATOM 0 HH21 ARG A 62 -1.962 10.400 14.107 1.00 1.41 H new ATOM 0 HH22 ARG A 62 -2.531 12.054 13.852 1.00 1.41 H new ATOM 1078 N LYS A 63 -1.415 3.973 10.488 1.00 3.30 N ATOM 1079 CA LYS A 63 -1.590 2.598 11.020 1.00 0.33 C ATOM 1080 C LYS A 63 -0.236 2.003 11.436 1.00 52.30 C ATOM 1081 O LYS A 63 -0.093 1.422 12.515 1.00 43.41 O ATOM 1082 CB LYS A 63 -2.244 1.675 9.944 1.00 22.32 C ATOM 1083 CG LYS A 63 -3.703 2.022 9.568 1.00 24.44 C ATOM 1084 CD LYS A 63 -4.273 1.062 8.493 1.00 41.54 C ATOM 1085 CE LYS A 63 -5.772 1.270 8.238 1.00 34.25 C ATOM 1086 NZ LYS A 63 -6.587 1.041 9.461 1.00 43.40 N ATOM 0 H LYS A 63 -1.465 4.030 9.471 1.00 3.30 H new ATOM 0 HA LYS A 63 -2.241 2.657 11.892 1.00 0.33 H new ATOM 0 HB2 LYS A 63 -1.636 1.712 9.040 1.00 22.32 H new ATOM 0 HB3 LYS A 63 -2.215 0.647 10.306 1.00 22.32 H new ATOM 0 HG2 LYS A 63 -4.327 1.977 10.461 1.00 24.44 H new ATOM 0 HG3 LYS A 63 -3.748 3.047 9.199 1.00 24.44 H new ATOM 0 HD2 LYS A 63 -3.728 1.205 7.560 1.00 41.54 H new ATOM 0 HD3 LYS A 63 -4.103 0.032 8.807 1.00 41.54 H new ATOM 0 HE2 LYS A 63 -5.940 2.284 7.876 1.00 34.25 H new ATOM 0 HE3 LYS A 63 -6.102 0.592 7.451 1.00 34.25 H new ATOM 0 HZ1 LYS A 63 -7.592 0.974 9.201 1.00 43.40 H new ATOM 0 HZ2 LYS A 63 -6.288 0.155 9.917 1.00 43.40 H new ATOM 0 HZ3 LYS A 63 -6.452 1.833 10.121 1.00 43.40 H new ATOM 1100 N VAL A 64 0.756 2.207 10.580 1.00 53.14 N ATOM 1101 CA VAL A 64 2.086 1.624 10.723 1.00 72.30 C ATOM 1102 C VAL A 64 3.134 2.661 10.258 1.00 22.34 C ATOM 1103 O VAL A 64 3.275 2.912 9.056 1.00 43.41 O ATOM 1104 CB VAL A 64 2.203 0.235 9.954 1.00 11.52 C ATOM 1105 CG1 VAL A 64 1.545 0.258 8.555 1.00 1.32 C ATOM 1106 CG2 VAL A 64 3.669 -0.242 9.872 1.00 71.21 C ATOM 0 H VAL A 64 0.659 2.793 9.751 1.00 53.14 H new ATOM 0 HA VAL A 64 2.276 1.389 11.770 1.00 72.30 H new ATOM 0 HB VAL A 64 1.641 -0.487 10.547 1.00 11.52 H new ATOM 0 HG11 VAL A 64 1.659 -0.718 8.083 1.00 1.32 H new ATOM 0 HG12 VAL A 64 0.485 0.491 8.655 1.00 1.32 H new ATOM 0 HG13 VAL A 64 2.027 1.017 7.939 1.00 1.32 H new ATOM 0 HG21 VAL A 64 3.713 -1.193 9.341 1.00 71.21 H new ATOM 0 HG22 VAL A 64 4.264 0.500 9.338 1.00 71.21 H new ATOM 0 HG23 VAL A 64 4.067 -0.370 10.879 1.00 71.21 H new ATOM 1116 N PRO A 65 3.850 3.336 11.220 1.00 74.15 N ATOM 1117 CA PRO A 65 4.972 4.254 10.887 1.00 70.45 C ATOM 1118 C PRO A 65 6.254 3.491 10.469 1.00 41.32 C ATOM 1119 O PRO A 65 7.207 4.089 9.955 1.00 62.21 O ATOM 1120 CB PRO A 65 5.161 5.052 12.203 1.00 24.00 C ATOM 1121 CG PRO A 65 4.726 4.115 13.287 1.00 22.15 C ATOM 1122 CD PRO A 65 3.594 3.294 12.697 1.00 3.31 C ATOM 0 HA PRO A 65 4.763 4.891 10.028 1.00 70.45 H new ATOM 0 HB2 PRO A 65 6.200 5.355 12.336 1.00 24.00 H new ATOM 0 HB3 PRO A 65 4.561 5.962 12.203 1.00 24.00 H new ATOM 0 HG2 PRO A 65 5.549 3.475 13.603 1.00 22.15 H new ATOM 0 HG3 PRO A 65 4.393 4.664 14.168 1.00 22.15 H new ATOM 0 HD2 PRO A 65 3.603 2.272 13.075 1.00 3.31 H new ATOM 0 HD3 PRO A 65 2.621 3.718 12.946 1.00 3.31 H new ATOM 1130 N ASN A 66 6.250 2.161 10.693 1.00 42.15 N ATOM 1131 CA ASN A 66 7.335 1.257 10.260 1.00 71.32 C ATOM 1132 C ASN A 66 7.179 0.864 8.775 1.00 52.34 C ATOM 1133 O ASN A 66 7.983 0.088 8.247 1.00 61.22 O ATOM 1134 CB ASN A 66 7.367 -0.024 11.135 1.00 22.43 C ATOM 1135 CG ASN A 66 7.564 0.223 12.635 1.00 30.41 C ATOM 1136 OD1 ASN A 66 8.153 1.221 13.052 1.00 70.12 O ATOM 1137 ND2 ASN A 66 7.095 -0.707 13.455 1.00 22.25 N ATOM 0 H ASN A 66 5.492 1.683 11.180 1.00 42.15 H new ATOM 0 HA ASN A 66 8.274 1.797 10.381 1.00 71.32 H new ATOM 0 HB2 ASN A 66 6.434 -0.568 10.991 1.00 22.43 H new ATOM 0 HB3 ASN A 66 8.170 -0.669 10.779 1.00 22.43 H new ATOM 0 HD21 ASN A 66 7.218 -0.607 14.463 1.00 22.25 H new ATOM 0 HD22 ASN A 66 6.611 -1.522 13.078 1.00 22.25 H new ATOM 1144 N ALA A 67 6.121 1.374 8.124 1.00 12.41 N ATOM 1145 CA ALA A 67 5.895 1.195 6.690 1.00 21.52 C ATOM 1146 C ALA A 67 6.862 2.091 5.901 1.00 21.23 C ATOM 1147 O ALA A 67 6.755 3.326 5.965 1.00 75.20 O ATOM 1148 CB ALA A 67 4.433 1.531 6.351 1.00 45.15 C ATOM 0 H ALA A 67 5.397 1.925 8.585 1.00 12.41 H new ATOM 0 HA ALA A 67 6.082 0.157 6.413 1.00 21.52 H new ATOM 0 HB1 ALA A 67 4.267 1.397 5.282 1.00 45.15 H new ATOM 0 HB2 ALA A 67 3.769 0.869 6.907 1.00 45.15 H new ATOM 0 HB3 ALA A 67 4.225 2.566 6.623 1.00 45.15 H new ATOM 1154 N ARG A 68 7.832 1.471 5.201 1.00 54.20 N ATOM 1155 CA ARG A 68 8.750 2.201 4.317 1.00 72.21 C ATOM 1156 C ARG A 68 7.998 2.639 3.050 1.00 0.23 C ATOM 1157 O ARG A 68 7.686 1.820 2.185 1.00 33.05 O ATOM 1158 CB ARG A 68 9.988 1.342 3.954 1.00 21.33 C ATOM 1159 CG ARG A 68 11.035 2.071 3.082 1.00 75.31 C ATOM 1160 CD ARG A 68 11.637 3.301 3.788 1.00 43.00 C ATOM 1161 NE ARG A 68 12.498 4.105 2.905 1.00 30.32 N ATOM 1162 CZ ARG A 68 12.233 5.360 2.502 1.00 61.53 C ATOM 1163 NH1 ARG A 68 11.114 5.981 2.882 1.00 75.30 N ATOM 1164 NH2 ARG A 68 13.109 5.997 1.747 1.00 10.53 N ATOM 0 H ARG A 68 7.997 0.465 5.234 1.00 54.20 H new ATOM 0 HA ARG A 68 9.113 3.084 4.843 1.00 72.21 H new ATOM 0 HB2 ARG A 68 10.467 1.010 4.875 1.00 21.33 H new ATOM 0 HB3 ARG A 68 9.654 0.448 3.428 1.00 21.33 H new ATOM 0 HG2 ARG A 68 11.835 1.377 2.824 1.00 75.31 H new ATOM 0 HG3 ARG A 68 10.570 2.384 2.147 1.00 75.31 H new ATOM 0 HD2 ARG A 68 10.829 3.927 4.168 1.00 43.00 H new ATOM 0 HD3 ARG A 68 12.217 2.971 4.650 1.00 43.00 H new ATOM 0 HE ARG A 68 13.362 3.677 2.573 1.00 30.32 H new ATOM 0 HH11 ARG A 68 10.446 5.503 3.487 1.00 75.30 H new ATOM 0 HH12 ARG A 68 10.927 6.933 2.568 1.00 75.30 H new ATOM 0 HH21 ARG A 68 13.978 5.537 1.475 1.00 10.53 H new ATOM 0 HH22 ARG A 68 12.917 6.949 1.436 1.00 10.53 H new ATOM 1178 N VAL A 69 7.715 3.938 2.966 1.00 1.31 N ATOM 1179 CA VAL A 69 6.907 4.527 1.902 1.00 5.20 C ATOM 1180 C VAL A 69 7.801 4.973 0.735 1.00 13.21 C ATOM 1181 O VAL A 69 8.734 5.773 0.906 1.00 14.22 O ATOM 1182 CB VAL A 69 6.063 5.733 2.465 1.00 25.04 C ATOM 1183 CG1 VAL A 69 5.360 6.524 1.340 1.00 54.43 C ATOM 1184 CG2 VAL A 69 5.048 5.217 3.521 1.00 34.40 C ATOM 0 H VAL A 69 8.047 4.621 3.647 1.00 1.31 H new ATOM 0 HA VAL A 69 6.215 3.774 1.525 1.00 5.20 H new ATOM 0 HB VAL A 69 6.746 6.431 2.949 1.00 25.04 H new ATOM 0 HG11 VAL A 69 4.790 7.345 1.774 1.00 54.43 H new ATOM 0 HG12 VAL A 69 6.107 6.923 0.654 1.00 54.43 H new ATOM 0 HG13 VAL A 69 4.686 5.862 0.796 1.00 54.43 H new ATOM 0 HG21 VAL A 69 4.467 6.055 3.907 1.00 34.40 H new ATOM 0 HG22 VAL A 69 4.377 4.493 3.058 1.00 34.40 H new ATOM 0 HG23 VAL A 69 5.586 4.740 4.340 1.00 34.40 H new ATOM 1194 N ARG A 70 7.514 4.408 -0.439 1.00 2.32 N ATOM 1195 CA ARG A 70 8.133 4.784 -1.705 1.00 23.42 C ATOM 1196 C ARG A 70 7.001 5.082 -2.699 1.00 74.33 C ATOM 1197 O ARG A 70 6.421 4.159 -3.271 1.00 42.03 O ATOM 1198 CB ARG A 70 9.030 3.598 -2.181 1.00 12.24 C ATOM 1199 CG ARG A 70 9.767 3.789 -3.519 1.00 53.33 C ATOM 1200 CD ARG A 70 10.791 4.932 -3.469 1.00 73.42 C ATOM 1201 NE ARG A 70 11.783 4.742 -2.392 1.00 33.41 N ATOM 1202 CZ ARG A 70 12.770 5.597 -2.078 1.00 42.54 C ATOM 1203 NH1 ARG A 70 12.945 6.735 -2.754 1.00 34.40 N ATOM 1204 NH2 ARG A 70 13.588 5.302 -1.073 1.00 65.11 N ATOM 0 H ARG A 70 6.828 3.659 -0.535 1.00 2.32 H new ATOM 0 HA ARG A 70 8.764 5.668 -1.615 1.00 23.42 H new ATOM 0 HB2 ARG A 70 9.772 3.400 -1.408 1.00 12.24 H new ATOM 0 HB3 ARG A 70 8.406 2.708 -2.259 1.00 12.24 H new ATOM 0 HG2 ARG A 70 10.275 2.862 -3.786 1.00 53.33 H new ATOM 0 HG3 ARG A 70 9.040 3.992 -4.305 1.00 53.33 H new ATOM 0 HD2 ARG A 70 11.306 4.999 -4.428 1.00 73.42 H new ATOM 0 HD3 ARG A 70 10.271 5.878 -3.319 1.00 73.42 H new ATOM 0 HE ARG A 70 11.713 3.888 -1.839 1.00 33.41 H new ATOM 0 HH11 ARG A 70 12.322 6.970 -3.527 1.00 34.40 H new ATOM 0 HH12 ARG A 70 13.702 7.369 -2.498 1.00 34.40 H new ATOM 0 HH21 ARG A 70 13.462 4.435 -0.551 1.00 65.11 H new ATOM 0 HH22 ARG A 70 14.342 5.943 -0.824 1.00 65.11 H new ATOM 1218 N GLU A 71 6.673 6.370 -2.896 1.00 30.54 N ATOM 1219 CA GLU A 71 5.599 6.777 -3.820 1.00 14.22 C ATOM 1220 C GLU A 71 6.270 7.077 -5.163 1.00 71.40 C ATOM 1221 O GLU A 71 7.211 7.885 -5.226 1.00 22.02 O ATOM 1222 CB GLU A 71 4.807 7.998 -3.245 1.00 63.45 C ATOM 1223 CG GLU A 71 3.358 8.160 -3.763 1.00 21.25 C ATOM 1224 CD GLU A 71 3.247 8.489 -5.264 1.00 13.21 C ATOM 1225 OE1 GLU A 71 3.602 9.625 -5.651 1.00 11.10 O ATOM 1226 OE2 GLU A 71 2.791 7.627 -6.057 1.00 4.21 O ATOM 0 H GLU A 71 7.136 7.149 -2.427 1.00 30.54 H new ATOM 0 HA GLU A 71 4.856 5.990 -3.952 1.00 14.22 H new ATOM 0 HB2 GLU A 71 4.778 7.910 -2.159 1.00 63.45 H new ATOM 0 HB3 GLU A 71 5.360 8.908 -3.476 1.00 63.45 H new ATOM 0 HG2 GLU A 71 2.810 7.239 -3.565 1.00 21.25 H new ATOM 0 HG3 GLU A 71 2.869 8.951 -3.194 1.00 21.25 H new ATOM 1233 N THR A 72 5.799 6.412 -6.226 1.00 42.22 N ATOM 1234 CA THR A 72 6.461 6.384 -7.534 1.00 63.24 C ATOM 1235 C THR A 72 5.417 6.456 -8.655 1.00 14.13 C ATOM 1236 O THR A 72 4.630 5.519 -8.836 1.00 44.54 O ATOM 1237 CB THR A 72 7.327 5.073 -7.702 1.00 0.12 C ATOM 1238 OG1 THR A 72 6.542 3.901 -7.394 1.00 51.22 O ATOM 1239 CG2 THR A 72 8.576 5.085 -6.812 1.00 33.54 C ATOM 0 H THR A 72 4.935 5.871 -6.200 1.00 42.22 H new ATOM 0 HA THR A 72 7.122 7.248 -7.596 1.00 63.24 H new ATOM 0 HB THR A 72 7.648 5.043 -8.743 1.00 0.12 H new ATOM 0 HG1 THR A 72 7.127 3.200 -7.039 1.00 51.22 H new ATOM 0 HG21 THR A 72 9.139 4.164 -6.962 1.00 33.54 H new ATOM 0 HG22 THR A 72 9.201 5.939 -7.074 1.00 33.54 H new ATOM 0 HG23 THR A 72 8.277 5.161 -5.767 1.00 33.54 H new ATOM 1247 N GLU A 73 5.413 7.570 -9.394 1.00 33.31 N ATOM 1248 CA GLU A 73 4.648 7.708 -10.631 1.00 22.51 C ATOM 1249 C GLU A 73 5.506 7.165 -11.790 1.00 20.03 C ATOM 1250 O GLU A 73 6.463 7.821 -12.222 1.00 43.32 O ATOM 1251 CB GLU A 73 4.272 9.189 -10.887 1.00 74.54 C ATOM 1252 CG GLU A 73 3.482 9.409 -12.196 1.00 54.40 C ATOM 1253 CD GLU A 73 3.219 10.884 -12.519 1.00 5.34 C ATOM 1254 OE1 GLU A 73 4.132 11.552 -13.055 1.00 10.45 O ATOM 1255 OE2 GLU A 73 2.104 11.386 -12.258 1.00 14.32 O ATOM 0 H GLU A 73 5.945 8.405 -9.147 1.00 33.31 H new ATOM 0 HA GLU A 73 3.719 7.143 -10.553 1.00 22.51 H new ATOM 0 HB2 GLU A 73 3.679 9.555 -10.049 1.00 74.54 H new ATOM 0 HB3 GLU A 73 5.183 9.786 -10.918 1.00 74.54 H new ATOM 0 HG2 GLU A 73 4.033 8.958 -13.022 1.00 54.40 H new ATOM 0 HG3 GLU A 73 2.528 8.886 -12.126 1.00 54.40 H new ATOM 1262 N THR A 74 5.195 5.940 -12.232 1.00 35.12 N ATOM 1263 CA THR A 74 5.864 5.283 -13.360 1.00 63.03 C ATOM 1264 C THR A 74 5.664 6.107 -14.649 1.00 4.45 C ATOM 1265 O THR A 74 4.528 6.345 -15.084 1.00 72.52 O ATOM 1266 CB THR A 74 5.315 3.835 -13.584 1.00 73.13 C ATOM 1267 OG1 THR A 74 4.947 3.264 -12.324 1.00 1.15 O ATOM 1268 CG2 THR A 74 6.344 2.912 -14.272 1.00 55.21 C ATOM 0 H THR A 74 4.462 5.370 -11.810 1.00 35.12 H new ATOM 0 HA THR A 74 6.926 5.219 -13.122 1.00 63.03 H new ATOM 0 HB THR A 74 4.450 3.916 -14.242 1.00 73.13 H new ATOM 0 HG1 THR A 74 4.326 2.520 -12.471 1.00 1.15 H new ATOM 0 HG21 THR A 74 5.912 1.920 -14.403 1.00 55.21 H new ATOM 0 HG22 THR A 74 6.609 3.324 -15.246 1.00 55.21 H new ATOM 0 HG23 THR A 74 7.238 2.839 -13.653 1.00 55.21 H new