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= 0.402 K(o=0.53,f=-2.3!) USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= 0.124 USER MOD Set 2.1: A 5 GLN : amide:sc= 0.752 K(o=1.3,f=-7!) USER MOD Set 2.2: A 72 THR OG1 : rot -110:sc= 0.571 USER MOD Single : A 3 GLN : amide:sc= -1.05 X(o=-1,f=-0.64) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.594 USER MOD Single : A 10 SER OG : rot 20:sc= 1.44 USER MOD Single : A 12 ASN : amide:sc= -0.0352 K(o=-0.035,f=-0.54) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 32 TYR OH : rot 18:sc= 0.506 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 180:sc= -0.0728 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 47 SER OG : rot -140:sc= 0 USER MOD Single : A 48 ASN : amide:sc=-0.000659 X(o=-0.00066,f=-0.024) USER MOD Single : A 50 LYS NZ :NH3+ -151:sc= 0.531 (180deg=0.243) USER MOD Single : A 51 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.032) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.183 X(o=0.18,f=0) USER MOD Single : A 74 THR OG1 : rot -2:sc= 0.442 USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 -0.535 6.860 -14.180 1.00 23.02 N ATOM 28 CA GLN A 3 -0.820 5.755 -13.250 1.00 0.12 C ATOM 29 C GLN A 3 -0.019 5.953 -11.956 1.00 74.15 C ATOM 30 O GLN A 3 1.186 6.209 -12.000 1.00 24.13 O ATOM 31 CB GLN A 3 -0.484 4.396 -13.925 1.00 3.11 C ATOM 32 CG GLN A 3 -0.642 3.150 -13.021 1.00 32.33 C ATOM 33 CD GLN A 3 -0.344 1.832 -13.747 1.00 40.24 C ATOM 34 OE1 GLN A 3 -0.578 1.704 -14.948 1.00 20.43 O ATOM 35 NE2 GLN A 3 0.191 0.859 -13.035 1.00 31.40 N ATOM 0 HA GLN A 3 -1.880 5.749 -12.996 1.00 0.12 H new ATOM 0 HB2 GLN A 3 -1.125 4.275 -14.798 1.00 3.11 H new ATOM 0 HB3 GLN A 3 0.543 4.433 -14.287 1.00 3.11 H new ATOM 0 HG2 GLN A 3 0.026 3.244 -12.165 1.00 32.33 H new ATOM 0 HG3 GLN A 3 -1.659 3.120 -12.630 1.00 32.33 H new ATOM 0 HE21 GLN A 3 0.373 0.995 -12.041 1.00 31.40 H new ATOM 0 HE22 GLN A 3 0.422 -0.030 -13.479 1.00 31.40 H new ATOM 44 N TRP A 4 -0.700 5.839 -10.815 1.00 54.21 N ATOM 45 CA TRP A 4 -0.103 6.039 -9.488 1.00 62.01 C ATOM 46 C TRP A 4 0.156 4.689 -8.819 1.00 61.33 C ATOM 47 O TRP A 4 -0.701 3.799 -8.858 1.00 71.30 O ATOM 48 CB TRP A 4 -1.040 6.919 -8.627 1.00 64.13 C ATOM 49 CG TRP A 4 -1.161 8.329 -9.157 1.00 75.14 C ATOM 50 CD1 TRP A 4 -0.302 9.356 -8.920 1.00 60.41 C ATOM 51 CD2 TRP A 4 -2.174 8.851 -10.026 1.00 41.22 C ATOM 52 NE1 TRP A 4 -0.709 10.477 -9.582 1.00 74.14 N ATOM 53 CE2 TRP A 4 -1.856 10.197 -10.267 1.00 54.44 C ATOM 54 CE3 TRP A 4 -3.311 8.314 -10.622 1.00 33.10 C ATOM 55 CZ2 TRP A 4 -2.632 11.012 -11.078 1.00 44.22 C ATOM 56 CZ3 TRP A 4 -4.084 9.126 -11.428 1.00 62.33 C ATOM 57 CH2 TRP A 4 -3.741 10.463 -11.650 1.00 22.11 C ATOM 0 H TRP A 4 -1.692 5.603 -10.783 1.00 54.21 H new ATOM 0 HA TRP A 4 0.854 6.551 -9.591 1.00 62.01 H new ATOM 0 HB2 TRP A 4 -2.029 6.462 -8.590 1.00 64.13 H new ATOM 0 HB3 TRP A 4 -0.665 6.950 -7.604 1.00 64.13 H new ATOM 0 HD1 TRP A 4 0.577 9.293 -8.296 1.00 60.41 H new ATOM 0 HE1 TRP A 4 -0.233 11.379 -9.568 1.00 74.14 H new ATOM 0 HE3 TRP A 4 -3.584 7.282 -10.457 1.00 33.10 H new ATOM 0 HZ2 TRP A 4 -2.367 12.045 -11.250 1.00 44.22 H new ATOM 0 HZ3 TRP A 4 -4.969 8.721 -11.895 1.00 62.33 H new ATOM 0 HH2 TRP A 4 -4.366 11.072 -12.286 1.00 22.11 H new ATOM 68 N GLN A 5 1.340 4.557 -8.207 1.00 11.41 N ATOM 69 CA GLN A 5 1.794 3.326 -7.539 1.00 60.12 C ATOM 70 C GLN A 5 2.422 3.686 -6.175 1.00 32.43 C ATOM 71 O GLN A 5 3.163 4.656 -6.071 1.00 23.33 O ATOM 72 CB GLN A 5 2.805 2.571 -8.460 1.00 54.03 C ATOM 73 CG GLN A 5 3.472 1.320 -7.841 1.00 60.24 C ATOM 74 CD GLN A 5 4.437 0.620 -8.817 1.00 51.34 C ATOM 75 OE1 GLN A 5 4.048 -0.276 -9.555 1.00 71.11 O ATOM 76 NE2 GLN A 5 5.696 1.029 -8.836 1.00 75.33 N ATOM 0 H GLN A 5 2.022 5.314 -8.160 1.00 11.41 H new ATOM 0 HA GLN A 5 0.949 2.662 -7.358 1.00 60.12 H new ATOM 0 HB2 GLN A 5 2.285 2.270 -9.369 1.00 54.03 H new ATOM 0 HB3 GLN A 5 3.588 3.268 -8.757 1.00 54.03 H new ATOM 0 HG2 GLN A 5 4.017 1.610 -6.943 1.00 60.24 H new ATOM 0 HG3 GLN A 5 2.699 0.616 -7.532 1.00 60.24 H new ATOM 0 HE21 GLN A 5 5.999 1.777 -8.212 1.00 75.33 H new ATOM 0 HE22 GLN A 5 6.363 0.596 -9.474 1.00 75.33 H new ATOM 85 N ILE A 6 2.081 2.919 -5.128 1.00 71.03 N ATOM 86 CA ILE A 6 2.663 3.042 -3.775 1.00 11.20 C ATOM 87 C ILE A 6 3.512 1.788 -3.505 1.00 31.22 C ATOM 88 O ILE A 6 3.150 0.697 -3.947 1.00 73.42 O ATOM 89 CB ILE A 6 1.526 3.164 -2.679 1.00 75.25 C ATOM 90 CG1 ILE A 6 0.562 4.342 -3.011 1.00 42.44 C ATOM 91 CG2 ILE A 6 2.108 3.326 -1.251 1.00 73.14 C ATOM 92 CD1 ILE A 6 -0.638 4.461 -2.086 1.00 64.21 C ATOM 0 H ILE A 6 1.380 2.181 -5.195 1.00 71.03 H new ATOM 0 HA ILE A 6 3.276 3.942 -3.722 1.00 11.20 H new ATOM 0 HB ILE A 6 0.962 2.232 -2.698 1.00 75.25 H new ATOM 0 HG12 ILE A 6 1.125 5.275 -2.976 1.00 42.44 H new ATOM 0 HG13 ILE A 6 0.205 4.224 -4.034 1.00 42.44 H new ATOM 0 HG21 ILE A 6 1.292 3.406 -0.533 1.00 73.14 H new ATOM 0 HG22 ILE A 6 2.722 2.459 -1.008 1.00 73.14 H new ATOM 0 HG23 ILE A 6 2.719 4.227 -1.207 1.00 73.14 H new ATOM 0 HD11 ILE A 6 -1.252 5.308 -2.393 1.00 64.21 H new ATOM 0 HD12 ILE A 6 -1.229 3.547 -2.137 1.00 64.21 H new ATOM 0 HD13 ILE A 6 -0.295 4.614 -1.063 1.00 64.21 H new ATOM 104 N LYS A 7 4.651 1.940 -2.807 1.00 15.54 N ATOM 105 CA LYS A 7 5.497 0.804 -2.395 1.00 35.10 C ATOM 106 C LYS A 7 5.684 0.830 -0.867 1.00 32.01 C ATOM 107 O LYS A 7 6.354 1.717 -0.330 1.00 12.01 O ATOM 108 CB LYS A 7 6.864 0.838 -3.136 1.00 72.11 C ATOM 109 CG LYS A 7 6.767 0.592 -4.665 1.00 71.20 C ATOM 110 CD LYS A 7 8.154 0.447 -5.323 1.00 43.04 C ATOM 111 CE LYS A 7 8.083 0.019 -6.794 1.00 32.51 C ATOM 112 NZ LYS A 7 9.434 -0.263 -7.344 1.00 61.45 N ATOM 0 H LYS A 7 5.010 2.848 -2.513 1.00 15.54 H new ATOM 0 HA LYS A 7 5.004 -0.129 -2.668 1.00 35.10 H new ATOM 0 HB2 LYS A 7 7.333 1.807 -2.965 1.00 72.11 H new ATOM 0 HB3 LYS A 7 7.520 0.085 -2.699 1.00 72.11 H new ATOM 0 HG2 LYS A 7 6.184 -0.310 -4.849 1.00 71.20 H new ATOM 0 HG3 LYS A 7 6.231 1.419 -5.131 1.00 71.20 H new ATOM 0 HD2 LYS A 7 8.683 1.397 -5.253 1.00 43.04 H new ATOM 0 HD3 LYS A 7 8.738 -0.285 -4.766 1.00 43.04 H new ATOM 0 HE2 LYS A 7 7.459 -0.870 -6.886 1.00 32.51 H new ATOM 0 HE3 LYS A 7 7.607 0.805 -7.380 1.00 32.51 H new ATOM 0 HZ1 LYS A 7 9.350 -0.550 -8.340 1.00 61.45 H new ATOM 0 HZ2 LYS A 7 10.021 0.593 -7.278 1.00 61.45 H new ATOM 0 HZ3 LYS A 7 9.877 -1.030 -6.799 1.00 61.45 H new ATOM 126 N ILE A 8 5.050 -0.137 -0.183 1.00 12.42 N ATOM 127 CA ILE A 8 5.095 -0.279 1.285 1.00 23.14 C ATOM 128 C ILE A 8 6.134 -1.352 1.668 1.00 73.32 C ATOM 129 O ILE A 8 5.912 -2.537 1.430 1.00 73.35 O ATOM 130 CB ILE A 8 3.679 -0.696 1.843 1.00 70.11 C ATOM 131 CG1 ILE A 8 2.591 0.340 1.413 1.00 75.23 C ATOM 132 CG2 ILE A 8 3.703 -0.887 3.386 1.00 31.12 C ATOM 133 CD1 ILE A 8 1.170 -0.049 1.777 1.00 32.14 C ATOM 0 H ILE A 8 4.484 -0.853 -0.639 1.00 12.42 H new ATOM 0 HA ILE A 8 5.377 0.679 1.721 1.00 23.14 H new ATOM 0 HB ILE A 8 3.419 -1.661 1.407 1.00 70.11 H new ATOM 0 HG12 ILE A 8 2.820 1.301 1.874 1.00 75.23 H new ATOM 0 HG13 ILE A 8 2.650 0.482 0.334 1.00 75.23 H new ATOM 0 HG21 ILE A 8 2.710 -1.174 3.733 1.00 31.12 H new ATOM 0 HG22 ILE A 8 4.417 -1.669 3.645 1.00 31.12 H new ATOM 0 HG23 ILE A 8 3.998 0.047 3.864 1.00 31.12 H new ATOM 0 HD11 ILE A 8 0.483 0.727 1.441 1.00 32.14 H new ATOM 0 HD12 ILE A 8 0.916 -0.993 1.294 1.00 32.14 H new ATOM 0 HD13 ILE A 8 1.089 -0.162 2.858 1.00 32.14 H new ATOM 145 N TYR A 9 7.258 -0.929 2.243 1.00 21.01 N ATOM 146 CA TYR A 9 8.298 -1.844 2.731 1.00 72.43 C ATOM 147 C TYR A 9 8.217 -1.912 4.267 1.00 3.52 C ATOM 148 O TYR A 9 8.602 -0.956 4.946 1.00 22.44 O ATOM 149 CB TYR A 9 9.704 -1.329 2.310 1.00 72.10 C ATOM 150 CG TYR A 9 9.872 -0.995 0.823 1.00 51.51 C ATOM 151 CD1 TYR A 9 10.132 -1.992 -0.117 1.00 74.03 C ATOM 152 CD2 TYR A 9 9.804 0.329 0.365 1.00 33.44 C ATOM 153 CE1 TYR A 9 10.303 -1.690 -1.451 1.00 53.11 C ATOM 154 CE2 TYR A 9 9.980 0.632 -0.971 1.00 4.42 C ATOM 155 CZ TYR A 9 10.236 -0.380 -1.870 1.00 1.53 C ATOM 156 OH TYR A 9 10.422 -0.083 -3.196 1.00 31.52 O ATOM 0 H TYR A 9 7.477 0.057 2.386 1.00 21.01 H new ATOM 0 HA TYR A 9 8.142 -2.834 2.302 1.00 72.43 H new ATOM 0 HB2 TYR A 9 9.933 -0.436 2.892 1.00 72.10 H new ATOM 0 HB3 TYR A 9 10.443 -2.084 2.580 1.00 72.10 H new ATOM 0 HD1 TYR A 9 10.201 -3.020 0.206 1.00 74.03 H new ATOM 0 HD2 TYR A 9 9.611 1.125 1.069 1.00 33.44 H new ATOM 0 HE1 TYR A 9 10.489 -2.478 -2.165 1.00 53.11 H new ATOM 0 HE2 TYR A 9 9.917 1.656 -1.309 1.00 4.42 H new ATOM 0 HH TYR A 9 10.342 0.885 -3.329 1.00 31.52 H new ATOM 166 N SER A 10 7.723 -3.026 4.815 1.00 73.34 N ATOM 167 CA SER A 10 7.686 -3.241 6.274 1.00 54.04 C ATOM 168 C SER A 10 8.042 -4.697 6.603 1.00 13.10 C ATOM 169 O SER A 10 7.681 -5.613 5.865 1.00 42.43 O ATOM 170 CB SER A 10 6.312 -2.822 6.861 1.00 72.54 C ATOM 171 OG SER A 10 5.231 -3.318 6.095 1.00 3.10 O ATOM 0 H SER A 10 7.340 -3.799 4.271 1.00 73.34 H new ATOM 0 HA SER A 10 8.435 -2.606 6.746 1.00 54.04 H new ATOM 0 HB2 SER A 10 6.229 -3.189 7.884 1.00 72.54 H new ATOM 0 HB3 SER A 10 6.254 -1.734 6.906 1.00 72.54 H new ATOM 0 HG SER A 10 5.538 -4.068 5.544 1.00 3.10 H new ATOM 177 N GLU A 11 8.780 -4.897 7.709 1.00 22.32 N ATOM 178 CA GLU A 11 9.312 -6.216 8.089 1.00 22.25 C ATOM 179 C GLU A 11 8.421 -6.850 9.175 1.00 4.21 C ATOM 180 O GLU A 11 8.864 -7.126 10.298 1.00 4.31 O ATOM 181 CB GLU A 11 10.801 -6.065 8.522 1.00 4.30 C ATOM 182 CG GLU A 11 11.598 -7.391 8.585 1.00 23.53 C ATOM 183 CD GLU A 11 13.113 -7.169 8.687 1.00 51.12 C ATOM 184 OE1 GLU A 11 13.781 -7.069 7.634 1.00 40.33 O ATOM 185 OE2 GLU A 11 13.638 -7.053 9.814 1.00 33.30 O ATOM 0 H GLU A 11 9.023 -4.152 8.362 1.00 22.32 H new ATOM 0 HA GLU A 11 9.293 -6.898 7.239 1.00 22.25 H new ATOM 0 HB2 GLU A 11 11.300 -5.390 7.826 1.00 4.30 H new ATOM 0 HB3 GLU A 11 10.833 -5.592 9.503 1.00 4.30 H new ATOM 0 HG2 GLU A 11 11.262 -7.971 9.444 1.00 23.53 H new ATOM 0 HG3 GLU A 11 11.381 -7.983 7.696 1.00 23.53 H new ATOM 192 N ASN A 12 7.141 -7.034 8.811 1.00 3.43 N ATOM 193 CA ASN A 12 6.115 -7.691 9.641 1.00 23.53 C ATOM 194 C ASN A 12 4.877 -7.928 8.764 1.00 2.35 C ATOM 195 O ASN A 12 4.437 -7.011 8.056 1.00 5.53 O ATOM 196 CB ASN A 12 5.755 -6.832 10.890 1.00 2.53 C ATOM 197 CG ASN A 12 4.629 -7.409 11.773 1.00 71.20 C ATOM 198 OD1 ASN A 12 4.390 -8.617 11.812 1.00 1.05 O ATOM 199 ND2 ASN A 12 3.935 -6.546 12.492 1.00 74.44 N ATOM 0 H ASN A 12 6.781 -6.722 7.909 1.00 3.43 H new ATOM 0 HA ASN A 12 6.499 -8.640 10.015 1.00 23.53 H new ATOM 0 HB2 ASN A 12 6.650 -6.712 11.500 1.00 2.53 H new ATOM 0 HB3 ASN A 12 5.461 -5.837 10.556 1.00 2.53 H new ATOM 0 HD21 ASN A 12 3.182 -6.875 13.097 1.00 74.44 H new ATOM 0 HD22 ASN A 12 4.152 -5.550 12.443 1.00 74.44 H new ATOM 206 N GLU A 13 4.334 -9.158 8.825 1.00 42.32 N ATOM 207 CA GLU A 13 3.150 -9.577 8.053 1.00 3.11 C ATOM 208 C GLU A 13 1.918 -8.717 8.402 1.00 74.30 C ATOM 209 O GLU A 13 1.159 -8.325 7.503 1.00 20.14 O ATOM 210 CB GLU A 13 2.849 -11.083 8.315 1.00 74.43 C ATOM 211 CG GLU A 13 1.570 -11.614 7.629 1.00 43.11 C ATOM 212 CD GLU A 13 1.343 -13.122 7.816 1.00 33.31 C ATOM 213 OE1 GLU A 13 0.979 -13.535 8.939 1.00 52.33 O ATOM 214 OE2 GLU A 13 1.533 -13.898 6.848 1.00 42.04 O ATOM 0 H GLU A 13 4.710 -9.897 9.419 1.00 42.32 H new ATOM 0 HA GLU A 13 3.368 -9.433 6.995 1.00 3.11 H new ATOM 0 HB2 GLU A 13 3.699 -11.674 7.975 1.00 74.43 H new ATOM 0 HB3 GLU A 13 2.761 -11.240 9.390 1.00 74.43 H new ATOM 0 HG2 GLU A 13 0.708 -11.075 8.023 1.00 43.11 H new ATOM 0 HG3 GLU A 13 1.623 -11.394 6.563 1.00 43.11 H new ATOM 221 N ARG A 14 1.772 -8.401 9.713 1.00 62.20 N ATOM 222 CA ARG A 14 0.594 -7.688 10.272 1.00 44.23 C ATOM 223 C ARG A 14 0.336 -6.344 9.567 1.00 15.01 C ATOM 224 O ARG A 14 -0.827 -5.959 9.368 1.00 53.10 O ATOM 225 CB ARG A 14 0.761 -7.464 11.819 1.00 72.54 C ATOM 226 CG ARG A 14 -0.412 -7.982 12.689 1.00 32.45 C ATOM 227 CD ARG A 14 -0.582 -9.506 12.603 1.00 21.04 C ATOM 228 NE ARG A 14 0.696 -10.194 12.897 1.00 51.24 N ATOM 229 CZ ARG A 14 1.226 -11.198 12.179 1.00 51.10 C ATOM 230 NH1 ARG A 14 0.594 -11.678 11.113 1.00 64.20 N ATOM 231 NH2 ARG A 14 2.401 -11.711 12.527 1.00 64.10 N ATOM 0 H ARG A 14 2.472 -8.635 10.417 1.00 62.20 H new ATOM 0 HA ARG A 14 -0.274 -8.324 10.094 1.00 44.23 H new ATOM 0 HB2 ARG A 14 1.678 -7.955 12.144 1.00 72.54 H new ATOM 0 HB3 ARG A 14 0.887 -6.397 12.004 1.00 72.54 H new ATOM 0 HG2 ARG A 14 -0.243 -7.697 13.727 1.00 32.45 H new ATOM 0 HG3 ARG A 14 -1.336 -7.498 12.372 1.00 32.45 H new ATOM 0 HD2 ARG A 14 -1.346 -9.832 13.308 1.00 21.04 H new ATOM 0 HD3 ARG A 14 -0.929 -9.782 11.607 1.00 21.04 H new ATOM 0 HE ARG A 14 1.218 -9.879 13.714 1.00 51.24 H new ATOM 0 HH11 ARG A 14 -0.304 -11.284 10.832 1.00 64.20 H new ATOM 0 HH12 ARG A 14 1.007 -12.441 10.576 1.00 64.20 H new ATOM 0 HH21 ARG A 14 2.898 -11.342 13.338 1.00 64.10 H new ATOM 0 HH22 ARG A 14 2.806 -12.473 11.984 1.00 64.10 H new ATOM 245 N GLU A 15 1.430 -5.668 9.176 1.00 31.45 N ATOM 246 CA GLU A 15 1.371 -4.332 8.562 1.00 3.13 C ATOM 247 C GLU A 15 0.603 -4.377 7.235 1.00 21.30 C ATOM 248 O GLU A 15 -0.235 -3.513 6.945 1.00 64.43 O ATOM 249 CB GLU A 15 2.803 -3.768 8.329 1.00 54.03 C ATOM 250 CG GLU A 15 3.805 -4.000 9.482 1.00 14.34 C ATOM 251 CD GLU A 15 3.374 -3.424 10.847 1.00 20.42 C ATOM 252 OE1 GLU A 15 2.613 -4.096 11.581 1.00 73.44 O ATOM 253 OE2 GLU A 15 3.820 -2.313 11.201 1.00 73.31 O ATOM 0 H GLU A 15 2.377 -6.032 9.277 1.00 31.45 H new ATOM 0 HA GLU A 15 0.843 -3.671 9.249 1.00 3.13 H new ATOM 0 HB2 GLU A 15 3.209 -4.217 7.423 1.00 54.03 H new ATOM 0 HB3 GLU A 15 2.727 -2.696 8.147 1.00 54.03 H new ATOM 0 HG2 GLU A 15 3.967 -5.072 9.592 1.00 14.34 H new ATOM 0 HG3 GLU A 15 4.763 -3.560 9.205 1.00 14.34 H new ATOM 260 N PHE A 16 0.893 -5.428 6.460 1.00 43.41 N ATOM 261 CA PHE A 16 0.283 -5.663 5.149 1.00 14.31 C ATOM 262 C PHE A 16 -1.153 -6.174 5.300 1.00 12.31 C ATOM 263 O PHE A 16 -2.030 -5.750 4.556 1.00 23.54 O ATOM 264 CB PHE A 16 1.135 -6.665 4.349 1.00 51.32 C ATOM 265 CG PHE A 16 2.573 -6.202 4.155 1.00 64.40 C ATOM 266 CD1 PHE A 16 2.901 -5.286 3.156 1.00 75.15 C ATOM 267 CD2 PHE A 16 3.590 -6.665 4.982 1.00 54.23 C ATOM 268 CE1 PHE A 16 4.199 -4.851 2.988 1.00 61.25 C ATOM 269 CE2 PHE A 16 4.886 -6.234 4.812 1.00 63.15 C ATOM 270 CZ PHE A 16 5.190 -5.323 3.814 1.00 22.24 C ATOM 0 H PHE A 16 1.565 -6.146 6.729 1.00 43.41 H new ATOM 0 HA PHE A 16 0.246 -4.719 4.606 1.00 14.31 H new ATOM 0 HB2 PHE A 16 1.135 -7.626 4.864 1.00 51.32 H new ATOM 0 HB3 PHE A 16 0.676 -6.826 3.373 1.00 51.32 H new ATOM 0 HD1 PHE A 16 2.126 -4.911 2.503 1.00 75.15 H new ATOM 0 HD2 PHE A 16 3.361 -7.371 5.767 1.00 54.23 H new ATOM 0 HE1 PHE A 16 4.436 -4.141 2.209 1.00 61.25 H new ATOM 0 HE2 PHE A 16 5.667 -6.607 5.458 1.00 63.15 H new ATOM 0 HZ PHE A 16 6.207 -4.983 3.685 1.00 22.24 H new ATOM 280 N ARG A 17 -1.384 -7.044 6.314 1.00 14.01 N ATOM 281 CA ARG A 17 -2.716 -7.651 6.586 1.00 70.01 C ATOM 282 C ARG A 17 -3.805 -6.575 6.729 1.00 22.05 C ATOM 283 O ARG A 17 -4.959 -6.781 6.317 1.00 2.12 O ATOM 284 CB ARG A 17 -2.688 -8.525 7.870 1.00 25.02 C ATOM 285 CG ARG A 17 -1.722 -9.730 7.862 1.00 43.42 C ATOM 286 CD ARG A 17 -2.000 -10.782 6.764 1.00 54.22 C ATOM 287 NE ARG A 17 -1.502 -10.375 5.429 1.00 25.11 N ATOM 288 CZ ARG A 17 -2.166 -10.533 4.271 1.00 73.32 C ATOM 289 NH1 ARG A 17 -3.375 -11.081 4.240 1.00 63.11 N ATOM 290 NH2 ARG A 17 -1.597 -10.173 3.136 1.00 10.44 N ATOM 0 H ARG A 17 -0.658 -7.345 6.964 1.00 14.01 H new ATOM 0 HA ARG A 17 -2.953 -8.284 5.731 1.00 70.01 H new ATOM 0 HB2 ARG A 17 -2.428 -7.885 8.713 1.00 25.02 H new ATOM 0 HB3 ARG A 17 -3.696 -8.897 8.052 1.00 25.02 H new ATOM 0 HG2 ARG A 17 -0.704 -9.360 7.740 1.00 43.42 H new ATOM 0 HG3 ARG A 17 -1.769 -10.220 8.834 1.00 43.42 H new ATOM 0 HD2 ARG A 17 -1.533 -11.726 7.047 1.00 54.22 H new ATOM 0 HD3 ARG A 17 -3.073 -10.962 6.705 1.00 54.22 H new ATOM 0 HE ARG A 17 -0.581 -9.940 5.385 1.00 25.11 H new ATOM 0 HH11 ARG A 17 -3.817 -11.391 5.106 1.00 63.11 H new ATOM 0 HH12 ARG A 17 -3.862 -11.192 3.351 1.00 63.11 H new ATOM 0 HH21 ARG A 17 -0.657 -9.777 3.140 1.00 10.44 H new ATOM 0 HH22 ARG A 17 -2.097 -10.291 2.255 1.00 10.44 H new ATOM 304 N GLU A 18 -3.400 -5.425 7.300 1.00 41.52 N ATOM 305 CA GLU A 18 -4.256 -4.244 7.422 1.00 23.41 C ATOM 306 C GLU A 18 -4.650 -3.712 6.028 1.00 14.11 C ATOM 307 O GLU A 18 -5.829 -3.772 5.650 1.00 11.32 O ATOM 308 CB GLU A 18 -3.525 -3.146 8.243 1.00 44.34 C ATOM 309 CG GLU A 18 -3.268 -3.525 9.716 1.00 34.12 C ATOM 310 CD GLU A 18 -4.556 -3.729 10.544 1.00 40.01 C ATOM 311 OE1 GLU A 18 -5.454 -2.860 10.495 1.00 22.42 O ATOM 312 OE2 GLU A 18 -4.670 -4.744 11.262 1.00 34.02 O ATOM 0 H GLU A 18 -2.466 -5.295 7.689 1.00 41.52 H new ATOM 0 HA GLU A 18 -5.170 -4.523 7.946 1.00 23.41 H new ATOM 0 HB2 GLU A 18 -2.571 -2.925 7.764 1.00 44.34 H new ATOM 0 HB3 GLU A 18 -4.117 -2.231 8.213 1.00 44.34 H new ATOM 0 HG2 GLU A 18 -2.679 -4.441 9.748 1.00 34.12 H new ATOM 0 HG3 GLU A 18 -2.668 -2.744 10.183 1.00 34.12 H new ATOM 319 N LEU A 19 -3.631 -3.301 5.245 1.00 13.31 N ATOM 320 CA LEU A 19 -3.822 -2.593 3.957 1.00 10.24 C ATOM 321 C LEU A 19 -4.469 -3.477 2.871 1.00 12.21 C ATOM 322 O LEU A 19 -5.241 -2.971 2.063 1.00 60.41 O ATOM 323 CB LEU A 19 -2.482 -1.987 3.429 1.00 2.15 C ATOM 324 CG LEU A 19 -1.986 -0.671 4.123 1.00 31.10 C ATOM 325 CD1 LEU A 19 -3.040 0.470 4.014 1.00 51.34 C ATOM 326 CD2 LEU A 19 -1.545 -0.909 5.591 1.00 20.04 C ATOM 0 H LEU A 19 -2.651 -3.450 5.486 1.00 13.31 H new ATOM 0 HA LEU A 19 -4.517 -1.780 4.169 1.00 10.24 H new ATOM 0 HB2 LEU A 19 -1.702 -2.742 3.533 1.00 2.15 H new ATOM 0 HB3 LEU A 19 -2.594 -1.789 2.363 1.00 2.15 H new ATOM 0 HG LEU A 19 -1.099 -0.346 3.580 1.00 31.10 H new ATOM 0 HD11 LEU A 19 -2.660 1.365 4.507 1.00 51.34 H new ATOM 0 HD12 LEU A 19 -3.233 0.688 2.964 1.00 51.34 H new ATOM 0 HD13 LEU A 19 -3.966 0.157 4.495 1.00 51.34 H new ATOM 0 HD21 LEU A 19 -1.210 0.032 6.027 1.00 20.04 H new ATOM 0 HD22 LEU A 19 -2.386 -1.296 6.165 1.00 20.04 H new ATOM 0 HD23 LEU A 19 -0.728 -1.630 5.613 1.00 20.04 H new ATOM 338 N ILE A 20 -4.154 -4.783 2.867 1.00 51.05 N ATOM 339 CA ILE A 20 -4.712 -5.750 1.889 1.00 72.05 C ATOM 340 C ILE A 20 -6.255 -5.758 1.972 1.00 54.55 C ATOM 341 O ILE A 20 -6.946 -5.534 0.967 1.00 52.32 O ATOM 342 CB ILE A 20 -4.146 -7.217 2.127 1.00 25.02 C ATOM 343 CG1 ILE A 20 -2.597 -7.277 1.909 1.00 62.21 C ATOM 344 CG2 ILE A 20 -4.863 -8.277 1.250 1.00 71.54 C ATOM 345 CD1 ILE A 20 -2.104 -6.977 0.503 1.00 71.15 C ATOM 0 H ILE A 20 -3.509 -5.203 3.536 1.00 51.05 H new ATOM 0 HA ILE A 20 -4.404 -5.431 0.893 1.00 72.05 H new ATOM 0 HB ILE A 20 -4.355 -7.462 3.168 1.00 25.02 H new ATOM 0 HG12 ILE A 20 -2.127 -6.571 2.594 1.00 62.21 H new ATOM 0 HG13 ILE A 20 -2.250 -8.272 2.188 1.00 62.21 H new ATOM 0 HG21 ILE A 20 -4.440 -9.261 1.450 1.00 71.54 H new ATOM 0 HG22 ILE A 20 -5.927 -8.285 1.486 1.00 71.54 H new ATOM 0 HG23 ILE A 20 -4.726 -8.031 0.197 1.00 71.54 H new ATOM 0 HD11 ILE A 20 -1.017 -7.049 0.476 1.00 71.15 H new ATOM 0 HD12 ILE A 20 -2.533 -7.697 -0.194 1.00 71.15 H new ATOM 0 HD13 ILE A 20 -2.408 -5.970 0.218 1.00 71.15 H new ATOM 357 N GLU A 21 -6.770 -5.957 3.203 1.00 34.21 N ATOM 358 CA GLU A 21 -8.221 -6.019 3.472 1.00 35.32 C ATOM 359 C GLU A 21 -8.864 -4.613 3.456 1.00 32.25 C ATOM 360 O GLU A 21 -10.082 -4.497 3.285 1.00 3.34 O ATOM 361 CB GLU A 21 -8.488 -6.735 4.817 1.00 54.31 C ATOM 362 CG GLU A 21 -7.904 -8.165 4.907 1.00 33.10 C ATOM 363 CD GLU A 21 -8.247 -8.880 6.228 1.00 12.32 C ATOM 364 OE1 GLU A 21 -7.648 -8.542 7.279 1.00 13.55 O ATOM 365 OE2 GLU A 21 -9.122 -9.780 6.229 1.00 74.31 O ATOM 0 H GLU A 21 -6.194 -6.079 4.036 1.00 34.21 H new ATOM 0 HA GLU A 21 -8.686 -6.596 2.673 1.00 35.32 H new ATOM 0 HB2 GLU A 21 -8.070 -6.133 5.624 1.00 54.31 H new ATOM 0 HB3 GLU A 21 -9.564 -6.784 4.981 1.00 54.31 H new ATOM 0 HG2 GLU A 21 -8.280 -8.757 4.073 1.00 33.10 H new ATOM 0 HG3 GLU A 21 -6.820 -8.115 4.799 1.00 33.10 H new ATOM 372 N ARG A 22 -8.039 -3.551 3.633 1.00 72.42 N ATOM 373 CA ARG A 22 -8.494 -2.152 3.452 1.00 62.24 C ATOM 374 C ARG A 22 -8.846 -1.896 1.976 1.00 2.14 C ATOM 375 O ARG A 22 -9.878 -1.298 1.682 1.00 3.33 O ATOM 376 CB ARG A 22 -7.421 -1.122 3.916 1.00 43.22 C ATOM 377 CG ARG A 22 -7.222 -0.978 5.442 1.00 0.54 C ATOM 378 CD ARG A 22 -8.445 -0.398 6.182 1.00 11.22 C ATOM 379 NE ARG A 22 -9.561 -1.362 6.316 1.00 31.50 N ATOM 380 CZ ARG A 22 -10.868 -1.066 6.178 1.00 24.55 C ATOM 381 NH1 ARG A 22 -11.272 0.167 5.896 1.00 35.03 N ATOM 382 NH2 ARG A 22 -11.773 -2.019 6.357 1.00 20.41 N ATOM 0 H ARG A 22 -7.058 -3.638 3.900 1.00 72.42 H new ATOM 0 HA ARG A 22 -9.379 -2.018 4.074 1.00 62.24 H new ATOM 0 HB2 ARG A 22 -6.465 -1.400 3.472 1.00 43.22 H new ATOM 0 HB3 ARG A 22 -7.688 -0.145 3.512 1.00 43.22 H new ATOM 0 HG2 ARG A 22 -6.987 -1.956 5.861 1.00 0.54 H new ATOM 0 HG3 ARG A 22 -6.360 -0.336 5.627 1.00 0.54 H new ATOM 0 HD2 ARG A 22 -8.138 -0.069 7.175 1.00 11.22 H new ATOM 0 HD3 ARG A 22 -8.799 0.484 5.649 1.00 11.22 H new ATOM 0 HE ARG A 22 -9.320 -2.330 6.530 1.00 31.50 H new ATOM 0 HH11 ARG A 22 -10.587 0.914 5.779 1.00 35.03 H new ATOM 0 HH12 ARG A 22 -12.267 0.367 5.796 1.00 35.03 H new ATOM 0 HH21 ARG A 22 -11.477 -2.965 6.597 1.00 20.41 H new ATOM 0 HH22 ARG A 22 -12.765 -1.806 6.255 1.00 20.41 H new ATOM 396 N LEU A 23 -7.984 -2.392 1.064 1.00 70.14 N ATOM 397 CA LEU A 23 -8.132 -2.196 -0.399 1.00 12.31 C ATOM 398 C LEU A 23 -9.285 -3.042 -0.964 1.00 1.24 C ATOM 399 O LEU A 23 -9.850 -2.704 -2.014 1.00 35.01 O ATOM 400 CB LEU A 23 -6.794 -2.496 -1.126 1.00 12.40 C ATOM 401 CG LEU A 23 -5.589 -1.602 -0.696 1.00 70.11 C ATOM 402 CD1 LEU A 23 -4.301 -1.999 -1.434 1.00 2.41 C ATOM 403 CD2 LEU A 23 -5.902 -0.102 -0.861 1.00 0.32 C ATOM 0 H LEU A 23 -7.163 -2.941 1.319 1.00 70.14 H new ATOM 0 HA LEU A 23 -8.385 -1.151 -0.578 1.00 12.31 H new ATOM 0 HB2 LEU A 23 -6.531 -3.540 -0.953 1.00 12.40 H new ATOM 0 HB3 LEU A 23 -6.948 -2.379 -2.199 1.00 12.40 H new ATOM 0 HG LEU A 23 -5.420 -1.777 0.367 1.00 70.11 H new ATOM 0 HD11 LEU A 23 -3.483 -1.356 -1.110 1.00 2.41 H new ATOM 0 HD12 LEU A 23 -4.058 -3.037 -1.208 1.00 2.41 H new ATOM 0 HD13 LEU A 23 -4.448 -1.886 -2.508 1.00 2.41 H new ATOM 0 HD21 LEU A 23 -5.038 0.486 -0.551 1.00 0.32 H new ATOM 0 HD22 LEU A 23 -6.129 0.110 -1.906 1.00 0.32 H new ATOM 0 HD23 LEU A 23 -6.760 0.161 -0.243 1.00 0.32 H new ATOM 415 N GLU A 24 -9.619 -4.134 -0.255 1.00 24.45 N ATOM 416 CA GLU A 24 -10.836 -4.935 -0.513 1.00 73.10 C ATOM 417 C GLU A 24 -12.088 -4.097 -0.208 1.00 14.42 C ATOM 418 O GLU A 24 -13.065 -4.117 -0.962 1.00 41.21 O ATOM 419 CB GLU A 24 -10.818 -6.231 0.345 1.00 52.11 C ATOM 420 CG GLU A 24 -9.625 -7.168 0.056 1.00 10.32 C ATOM 421 CD GLU A 24 -9.630 -7.773 -1.364 1.00 10.41 C ATOM 422 OE1 GLU A 24 -9.142 -7.120 -2.311 1.00 42.44 O ATOM 423 OE2 GLU A 24 -10.119 -8.909 -1.532 1.00 70.51 O ATOM 0 H GLU A 24 -9.054 -4.490 0.516 1.00 24.45 H new ATOM 0 HA GLU A 24 -10.858 -5.222 -1.564 1.00 73.10 H new ATOM 0 HB2 GLU A 24 -10.801 -5.955 1.399 1.00 52.11 H new ATOM 0 HB3 GLU A 24 -11.745 -6.779 0.174 1.00 52.11 H new ATOM 0 HG2 GLU A 24 -8.698 -6.613 0.200 1.00 10.32 H new ATOM 0 HG3 GLU A 24 -9.628 -7.978 0.785 1.00 10.32 H new ATOM 430 N GLU A 25 -12.024 -3.343 0.904 1.00 71.11 N ATOM 431 CA GLU A 25 -13.102 -2.432 1.320 1.00 33.32 C ATOM 432 C GLU A 25 -13.110 -1.126 0.504 1.00 73.03 C ATOM 433 O GLU A 25 -14.135 -0.431 0.461 1.00 72.14 O ATOM 434 CB GLU A 25 -13.018 -2.159 2.849 1.00 63.32 C ATOM 435 CG GLU A 25 -13.160 -3.429 3.717 1.00 12.13 C ATOM 436 CD GLU A 25 -14.468 -4.207 3.457 1.00 50.12 C ATOM 437 OE1 GLU A 25 -15.534 -3.769 3.938 1.00 22.22 O ATOM 438 OE2 GLU A 25 -14.438 -5.254 2.760 1.00 41.33 O ATOM 0 H GLU A 25 -11.225 -3.349 1.537 1.00 71.11 H new ATOM 0 HA GLU A 25 -14.052 -2.924 1.113 1.00 33.32 H new ATOM 0 HB2 GLU A 25 -12.063 -1.683 3.072 1.00 63.32 H new ATOM 0 HB3 GLU A 25 -13.800 -1.451 3.126 1.00 63.32 H new ATOM 0 HG2 GLU A 25 -12.311 -4.086 3.527 1.00 12.13 H new ATOM 0 HG3 GLU A 25 -13.116 -3.148 4.769 1.00 12.13 H new ATOM 445 N GLU A 26 -11.978 -0.798 -0.147 1.00 62.42 N ATOM 446 CA GLU A 26 -11.911 0.319 -1.096 1.00 74.43 C ATOM 447 C GLU A 26 -12.591 -0.097 -2.410 1.00 62.42 C ATOM 448 O GLU A 26 -11.952 -0.671 -3.312 1.00 54.52 O ATOM 449 CB GLU A 26 -10.446 0.786 -1.351 1.00 73.24 C ATOM 450 CG GLU A 26 -9.699 1.360 -0.133 1.00 22.12 C ATOM 451 CD GLU A 26 -10.430 2.551 0.523 1.00 70.32 C ATOM 452 OE1 GLU A 26 -10.214 3.717 0.103 1.00 24.45 O ATOM 453 OE2 GLU A 26 -11.241 2.328 1.454 1.00 11.21 O ATOM 0 H GLU A 26 -11.096 -1.296 -0.029 1.00 62.42 H new ATOM 0 HA GLU A 26 -12.436 1.171 -0.664 1.00 74.43 H new ATOM 0 HB2 GLU A 26 -9.877 -0.061 -1.735 1.00 73.24 H new ATOM 0 HB3 GLU A 26 -10.458 1.543 -2.135 1.00 73.24 H new ATOM 0 HG2 GLU A 26 -9.565 0.572 0.608 1.00 22.12 H new ATOM 0 HG3 GLU A 26 -8.704 1.679 -0.442 1.00 22.12 H new ATOM 460 N ARG A 27 -13.908 0.146 -2.457 1.00 0.44 N ATOM 461 CA ARG A 27 -14.738 -0.092 -3.647 1.00 63.23 C ATOM 462 C ARG A 27 -14.384 0.939 -4.753 1.00 24.51 C ATOM 463 O ARG A 27 -14.024 2.073 -4.420 1.00 14.42 O ATOM 464 CB ARG A 27 -16.261 -0.065 -3.260 1.00 63.34 C ATOM 465 CG ARG A 27 -16.934 -1.461 -3.200 1.00 22.31 C ATOM 466 CD ARG A 27 -16.258 -2.444 -2.221 1.00 64.30 C ATOM 467 NE ARG A 27 -16.583 -2.163 -0.808 1.00 33.22 N ATOM 468 CZ ARG A 27 -16.367 -3.012 0.220 1.00 53.03 C ATOM 469 NH1 ARG A 27 -15.819 -4.206 0.021 1.00 71.23 N ATOM 470 NH2 ARG A 27 -16.671 -2.643 1.457 1.00 14.44 N ATOM 0 H ARG A 27 -14.432 0.516 -1.664 1.00 0.44 H new ATOM 0 HA ARG A 27 -14.530 -1.083 -4.051 1.00 63.23 H new ATOM 0 HB2 ARG A 27 -16.368 0.418 -2.289 1.00 63.34 H new ATOM 0 HB3 ARG A 27 -16.796 0.551 -3.983 1.00 63.34 H new ATOM 0 HG2 ARG A 27 -17.978 -1.337 -2.911 1.00 22.31 H new ATOM 0 HG3 ARG A 27 -16.929 -1.898 -4.198 1.00 22.31 H new ATOM 0 HD2 ARG A 27 -16.567 -3.461 -2.464 1.00 64.30 H new ATOM 0 HD3 ARG A 27 -15.177 -2.398 -2.356 1.00 64.30 H new ATOM 0 HE ARG A 27 -17.003 -1.259 -0.592 1.00 33.22 H new ATOM 0 HH11 ARG A 27 -15.554 -4.495 -0.921 1.00 71.23 H new ATOM 0 HH12 ARG A 27 -15.664 -4.834 0.810 1.00 71.23 H new ATOM 0 HH21 ARG A 27 -17.067 -1.719 1.631 1.00 14.44 H new ATOM 0 HH22 ARG A 27 -16.509 -3.283 2.235 1.00 14.44 H new ATOM 484 N PRO A 28 -14.449 0.587 -6.094 1.00 74.45 N ATOM 485 CA PRO A 28 -14.819 -0.765 -6.626 1.00 13.30 C ATOM 486 C PRO A 28 -13.799 -1.874 -6.263 1.00 5.20 C ATOM 487 O PRO A 28 -14.179 -2.912 -5.710 1.00 54.23 O ATOM 488 CB PRO A 28 -14.879 -0.547 -8.170 1.00 72.14 C ATOM 489 CG PRO A 28 -14.967 0.940 -8.353 1.00 30.41 C ATOM 490 CD PRO A 28 -14.174 1.530 -7.209 1.00 32.40 C ATOM 0 HA PRO A 28 -15.755 -1.117 -6.193 1.00 13.30 H new ATOM 0 HB2 PRO A 28 -13.994 -0.953 -8.660 1.00 72.14 H new ATOM 0 HB3 PRO A 28 -15.743 -1.049 -8.606 1.00 72.14 H new ATOM 0 HG2 PRO A 28 -14.554 1.243 -9.315 1.00 30.41 H new ATOM 0 HG3 PRO A 28 -16.003 1.279 -8.330 1.00 30.41 H new ATOM 0 HD2 PRO A 28 -13.110 1.583 -7.440 1.00 32.40 H new ATOM 0 HD3 PRO A 28 -14.500 2.543 -6.971 1.00 32.40 H new ATOM 498 N SER A 29 -12.515 -1.619 -6.576 1.00 13.34 N ATOM 499 CA SER A 29 -11.406 -2.549 -6.310 1.00 21.23 C ATOM 500 C SER A 29 -10.080 -1.846 -6.632 1.00 22.11 C ATOM 501 O SER A 29 -9.850 -1.470 -7.791 1.00 63.04 O ATOM 502 CB SER A 29 -11.540 -3.839 -7.167 1.00 44.14 C ATOM 503 OG SER A 29 -10.540 -4.796 -6.844 1.00 54.51 O ATOM 0 H SER A 29 -12.217 -0.753 -7.025 1.00 13.34 H new ATOM 0 HA SER A 29 -11.433 -2.839 -5.260 1.00 21.23 H new ATOM 0 HB2 SER A 29 -12.526 -4.277 -7.012 1.00 44.14 H new ATOM 0 HB3 SER A 29 -11.469 -3.582 -8.224 1.00 44.14 H new ATOM 0 HG SER A 29 -10.658 -5.593 -7.402 1.00 54.51 H new ATOM 509 N VAL A 30 -9.228 -1.649 -5.612 1.00 34.30 N ATOM 510 CA VAL A 30 -7.891 -1.069 -5.802 1.00 32.33 C ATOM 511 C VAL A 30 -6.918 -2.197 -6.155 1.00 31.42 C ATOM 512 O VAL A 30 -6.933 -3.249 -5.516 1.00 64.24 O ATOM 513 CB VAL A 30 -7.393 -0.285 -4.531 1.00 73.12 C ATOM 514 CG1 VAL A 30 -5.934 0.212 -4.697 1.00 1.33 C ATOM 515 CG2 VAL A 30 -8.340 0.894 -4.220 1.00 62.32 C ATOM 0 H VAL A 30 -9.445 -1.885 -4.644 1.00 34.30 H new ATOM 0 HA VAL A 30 -7.939 -0.342 -6.613 1.00 32.33 H new ATOM 0 HB VAL A 30 -7.406 -0.977 -3.689 1.00 73.12 H new ATOM 0 HG11 VAL A 30 -5.628 0.748 -3.799 1.00 1.33 H new ATOM 0 HG12 VAL A 30 -5.274 -0.642 -4.853 1.00 1.33 H new ATOM 0 HG13 VAL A 30 -5.873 0.879 -5.557 1.00 1.33 H new ATOM 0 HG21 VAL A 30 -7.982 1.426 -3.339 1.00 62.32 H new ATOM 0 HG22 VAL A 30 -8.364 1.576 -5.070 1.00 62.32 H new ATOM 0 HG23 VAL A 30 -9.344 0.514 -4.031 1.00 62.32 H new ATOM 525 N GLN A 31 -6.103 -1.956 -7.190 1.00 61.24 N ATOM 526 CA GLN A 31 -5.099 -2.908 -7.682 1.00 74.13 C ATOM 527 C GLN A 31 -3.918 -2.946 -6.698 1.00 3.31 C ATOM 528 O GLN A 31 -3.512 -1.897 -6.189 1.00 22.33 O ATOM 529 CB GLN A 31 -4.634 -2.474 -9.099 1.00 21.41 C ATOM 530 CG GLN A 31 -5.795 -2.310 -10.111 1.00 64.32 C ATOM 531 CD GLN A 31 -5.380 -1.701 -11.456 1.00 44.32 C ATOM 532 OE1 GLN A 31 -4.258 -1.878 -11.918 1.00 14.22 O ATOM 533 NE2 GLN A 31 -6.290 -0.978 -12.093 1.00 44.13 N ATOM 0 H GLN A 31 -6.123 -1.082 -7.716 1.00 61.24 H new ATOM 0 HA GLN A 31 -5.524 -3.909 -7.751 1.00 74.13 H new ATOM 0 HB2 GLN A 31 -4.095 -1.530 -9.022 1.00 21.41 H new ATOM 0 HB3 GLN A 31 -3.930 -3.212 -9.483 1.00 21.41 H new ATOM 0 HG2 GLN A 31 -6.245 -3.286 -10.291 1.00 64.32 H new ATOM 0 HG3 GLN A 31 -6.565 -1.682 -9.663 1.00 64.32 H new ATOM 0 HE21 GLN A 31 -7.215 -0.848 -11.684 1.00 44.13 H new ATOM 0 HE22 GLN A 31 -6.065 -0.552 -12.992 1.00 44.13 H new ATOM 542 N TYR A 32 -3.389 -4.146 -6.420 1.00 40.44 N ATOM 543 CA TYR A 32 -2.289 -4.329 -5.464 1.00 53.01 C ATOM 544 C TYR A 32 -1.641 -5.711 -5.639 1.00 24.21 C ATOM 545 O TYR A 32 -2.284 -6.641 -6.137 1.00 54.22 O ATOM 546 CB TYR A 32 -2.778 -4.120 -3.999 1.00 12.42 C ATOM 547 CG TYR A 32 -3.786 -5.162 -3.468 1.00 5.10 C ATOM 548 CD1 TYR A 32 -5.167 -4.992 -3.604 1.00 51.30 C ATOM 549 CD2 TYR A 32 -3.352 -6.317 -2.818 1.00 54.44 C ATOM 550 CE1 TYR A 32 -6.059 -5.930 -3.114 1.00 61.24 C ATOM 551 CE2 TYR A 32 -4.239 -7.250 -2.338 1.00 55.11 C ATOM 552 CZ TYR A 32 -5.581 -7.055 -2.480 1.00 32.13 C ATOM 553 OH TYR A 32 -6.445 -8.002 -1.988 1.00 61.24 O ATOM 0 H TYR A 32 -3.710 -5.013 -6.850 1.00 40.44 H new ATOM 0 HA TYR A 32 -1.532 -3.572 -5.671 1.00 53.01 H new ATOM 0 HB2 TYR A 32 -1.908 -4.118 -3.343 1.00 12.42 H new ATOM 0 HB3 TYR A 32 -3.234 -3.133 -3.926 1.00 12.42 H new ATOM 0 HD1 TYR A 32 -5.545 -4.111 -4.101 1.00 51.30 H new ATOM 0 HD2 TYR A 32 -2.293 -6.482 -2.689 1.00 54.44 H new ATOM 0 HE1 TYR A 32 -7.123 -5.781 -3.228 1.00 61.24 H new ATOM 0 HE2 TYR A 32 -3.873 -8.140 -1.847 1.00 55.11 H new ATOM 0 HH TYR A 32 -7.325 -7.889 -2.404 1.00 61.24 H new ATOM 563 N THR A 33 -0.371 -5.831 -5.222 1.00 31.24 N ATOM 564 CA THR A 33 0.382 -7.092 -5.233 1.00 14.10 C ATOM 565 C THR A 33 1.474 -7.054 -4.148 1.00 42.35 C ATOM 566 O THR A 33 2.424 -6.267 -4.239 1.00 71.12 O ATOM 567 CB THR A 33 1.040 -7.375 -6.634 1.00 24.52 C ATOM 568 OG1 THR A 33 0.027 -7.398 -7.655 1.00 14.10 O ATOM 569 CG2 THR A 33 1.802 -8.721 -6.661 1.00 10.04 C ATOM 0 H THR A 33 0.168 -5.043 -4.863 1.00 31.24 H new ATOM 0 HA THR A 33 -0.323 -7.898 -5.029 1.00 14.10 H new ATOM 0 HB THR A 33 1.755 -6.573 -6.819 1.00 24.52 H new ATOM 0 HG1 THR A 33 0.443 -7.573 -8.525 1.00 14.10 H new ATOM 0 HG21 THR A 33 2.239 -8.872 -7.648 1.00 10.04 H new ATOM 0 HG22 THR A 33 2.594 -8.706 -5.912 1.00 10.04 H new ATOM 0 HG23 THR A 33 1.111 -9.535 -6.442 1.00 10.04 H new ATOM 577 N GLU A 34 1.325 -7.907 -3.134 1.00 21.44 N ATOM 578 CA GLU A 34 2.315 -8.093 -2.072 1.00 55.14 C ATOM 579 C GLU A 34 3.329 -9.157 -2.544 1.00 4.43 C ATOM 580 O GLU A 34 2.926 -10.210 -3.054 1.00 61.41 O ATOM 581 CB GLU A 34 1.589 -8.545 -0.781 1.00 61.21 C ATOM 582 CG GLU A 34 2.489 -8.728 0.456 1.00 0.41 C ATOM 583 CD GLU A 34 1.790 -9.534 1.561 1.00 62.11 C ATOM 584 OE1 GLU A 34 0.854 -9.017 2.195 1.00 11.11 O ATOM 585 OE2 GLU A 34 2.157 -10.707 1.772 1.00 73.32 O ATOM 0 H GLU A 34 0.500 -8.497 -3.026 1.00 21.44 H new ATOM 0 HA GLU A 34 2.845 -7.165 -1.857 1.00 55.14 H new ATOM 0 HB2 GLU A 34 0.818 -7.812 -0.543 1.00 61.21 H new ATOM 0 HB3 GLU A 34 1.081 -9.488 -0.982 1.00 61.21 H new ATOM 0 HG2 GLU A 34 3.409 -9.235 0.164 1.00 0.41 H new ATOM 0 HG3 GLU A 34 2.774 -7.750 0.845 1.00 0.41 H new ATOM 592 N THR A 35 4.632 -8.860 -2.415 1.00 42.52 N ATOM 593 CA THR A 35 5.725 -9.739 -2.879 1.00 55.42 C ATOM 594 C THR A 35 6.895 -9.669 -1.882 1.00 3.15 C ATOM 595 O THR A 35 7.373 -8.579 -1.581 1.00 63.23 O ATOM 596 CB THR A 35 6.203 -9.298 -4.309 1.00 3.35 C ATOM 597 OG1 THR A 35 5.091 -9.334 -5.227 1.00 62.13 O ATOM 598 CG2 THR A 35 7.343 -10.180 -4.856 1.00 63.45 C ATOM 0 H THR A 35 4.962 -7.997 -1.983 1.00 42.52 H new ATOM 0 HA THR A 35 5.363 -10.766 -2.937 1.00 55.42 H new ATOM 0 HB THR A 35 6.591 -8.284 -4.215 1.00 3.35 H new ATOM 0 HG1 THR A 35 5.393 -9.057 -6.117 1.00 62.13 H new ATOM 0 HG21 THR A 35 7.632 -9.828 -5.846 1.00 63.45 H new ATOM 0 HG22 THR A 35 8.201 -10.123 -4.186 1.00 63.45 H new ATOM 0 HG23 THR A 35 7.003 -11.214 -4.923 1.00 63.45 H new ATOM 606 N THR A 36 7.367 -10.831 -1.394 1.00 32.55 N ATOM 607 CA THR A 36 8.446 -10.891 -0.400 1.00 21.22 C ATOM 608 C THR A 36 9.796 -10.622 -1.092 1.00 43.13 C ATOM 609 O THR A 36 10.278 -11.441 -1.880 1.00 14.25 O ATOM 610 CB THR A 36 8.454 -12.276 0.328 1.00 51.54 C ATOM 611 OG1 THR A 36 7.160 -12.516 0.905 1.00 23.03 O ATOM 612 CG2 THR A 36 9.506 -12.344 1.446 1.00 13.04 C ATOM 0 H THR A 36 7.013 -11.745 -1.677 1.00 32.55 H new ATOM 0 HA THR A 36 8.278 -10.124 0.356 1.00 21.22 H new ATOM 0 HB THR A 36 8.702 -13.032 -0.417 1.00 51.54 H new ATOM 0 HG1 THR A 36 7.161 -13.384 1.361 1.00 23.03 H new ATOM 0 HG21 THR A 36 9.471 -13.325 1.920 1.00 13.04 H new ATOM 0 HG22 THR A 36 10.497 -12.181 1.023 1.00 13.04 H new ATOM 0 HG23 THR A 36 9.297 -11.575 2.189 1.00 13.04 H new ATOM 620 N ARG A 37 10.369 -9.441 -0.811 1.00 71.12 N ATOM 621 CA ARG A 37 11.592 -8.950 -1.467 1.00 43.14 C ATOM 622 C ARG A 37 12.779 -9.025 -0.487 1.00 63.50 C ATOM 623 O ARG A 37 12.831 -8.272 0.488 1.00 11.24 O ATOM 624 CB ARG A 37 11.383 -7.484 -1.953 1.00 20.44 C ATOM 625 CG ARG A 37 12.553 -6.907 -2.779 1.00 51.43 C ATOM 626 CD ARG A 37 12.792 -7.682 -4.086 1.00 21.44 C ATOM 627 NE ARG A 37 11.601 -7.674 -4.953 1.00 34.21 N ATOM 628 CZ ARG A 37 11.276 -8.625 -5.846 1.00 31.31 C ATOM 629 NH1 ARG A 37 12.040 -9.698 -6.017 1.00 50.20 N ATOM 630 NH2 ARG A 37 10.175 -8.495 -6.565 1.00 63.03 N ATOM 0 H ARG A 37 9.994 -8.795 -0.117 1.00 71.12 H new ATOM 0 HA ARG A 37 11.811 -9.577 -2.331 1.00 43.14 H new ATOM 0 HB2 ARG A 37 10.475 -7.441 -2.554 1.00 20.44 H new ATOM 0 HB3 ARG A 37 11.220 -6.847 -1.084 1.00 20.44 H new ATOM 0 HG2 ARG A 37 12.348 -5.862 -3.013 1.00 51.43 H new ATOM 0 HG3 ARG A 37 13.462 -6.927 -2.178 1.00 51.43 H new ATOM 0 HD2 ARG A 37 13.634 -7.242 -4.621 1.00 21.44 H new ATOM 0 HD3 ARG A 37 13.065 -8.711 -3.853 1.00 21.44 H new ATOM 0 HE ARG A 37 10.968 -6.878 -4.869 1.00 34.21 H new ATOM 0 HH11 ARG A 37 12.891 -9.812 -5.466 1.00 50.20 H new ATOM 0 HH12 ARG A 37 11.776 -10.408 -6.700 1.00 50.20 H new ATOM 0 HH21 ARG A 37 9.578 -7.677 -6.441 1.00 63.03 H new ATOM 0 HH22 ARG A 37 9.922 -9.212 -7.244 1.00 63.03 H new ATOM 644 N ASN A 38 13.715 -9.957 -0.764 1.00 14.53 N ATOM 645 CA ASN A 38 14.939 -10.203 0.053 1.00 61.44 C ATOM 646 C ASN A 38 14.585 -10.648 1.499 1.00 63.44 C ATOM 647 O ASN A 38 15.430 -10.596 2.399 1.00 31.35 O ATOM 648 CB ASN A 38 15.860 -8.939 0.065 1.00 43.53 C ATOM 649 CG ASN A 38 16.096 -8.327 -1.322 1.00 52.11 C ATOM 650 OD1 ASN A 38 16.180 -9.031 -2.330 1.00 53.11 O ATOM 651 ND2 ASN A 38 16.145 -7.007 -1.378 1.00 23.31 N ATOM 0 H ASN A 38 13.647 -10.574 -1.573 1.00 14.53 H new ATOM 0 HA ASN A 38 15.487 -11.022 -0.413 1.00 61.44 H new ATOM 0 HB2 ASN A 38 15.415 -8.184 0.713 1.00 43.53 H new ATOM 0 HB3 ASN A 38 16.822 -9.207 0.501 1.00 43.53 H new ATOM 0 HD21 ASN A 38 16.256 -6.538 -2.277 1.00 23.31 H new ATOM 0 HD22 ASN A 38 16.072 -6.457 -0.522 1.00 23.31 H new ATOM 658 N GLY A 39 13.336 -11.122 1.694 1.00 55.05 N ATOM 659 CA GLY A 39 12.811 -11.504 3.013 1.00 22.35 C ATOM 660 C GLY A 39 11.826 -10.487 3.588 1.00 52.13 C ATOM 661 O GLY A 39 10.968 -10.857 4.396 1.00 70.42 O ATOM 0 H GLY A 39 12.665 -11.249 0.936 1.00 55.05 H new ATOM 0 HA2 GLY A 39 12.318 -12.473 2.934 1.00 22.35 H new ATOM 0 HA3 GLY A 39 13.643 -11.626 3.706 1.00 22.35 H new ATOM 665 N ARG A 40 11.912 -9.211 3.158 1.00 10.23 N ATOM 666 CA ARG A 40 10.985 -8.144 3.604 1.00 44.22 C ATOM 667 C ARG A 40 9.988 -7.836 2.474 1.00 62.43 C ATOM 668 O ARG A 40 10.399 -7.424 1.386 1.00 31.33 O ATOM 669 CB ARG A 40 11.762 -6.861 4.004 1.00 2.21 C ATOM 670 CG ARG A 40 10.881 -5.675 4.477 1.00 12.52 C ATOM 671 CD ARG A 40 11.695 -4.420 4.849 1.00 43.13 C ATOM 672 NE ARG A 40 12.685 -4.687 5.918 1.00 34.42 N ATOM 673 CZ ARG A 40 13.686 -3.858 6.285 1.00 65.10 C ATOM 674 NH1 ARG A 40 13.868 -2.686 5.671 1.00 52.41 N ATOM 675 NH2 ARG A 40 14.516 -4.235 7.249 1.00 22.14 N ATOM 0 H ARG A 40 12.619 -8.890 2.497 1.00 10.23 H new ATOM 0 HA ARG A 40 10.444 -8.491 4.484 1.00 44.22 H new ATOM 0 HB2 ARG A 40 12.462 -7.113 4.801 1.00 2.21 H new ATOM 0 HB3 ARG A 40 12.355 -6.534 3.150 1.00 2.21 H new ATOM 0 HG2 ARG A 40 10.174 -5.420 3.688 1.00 12.52 H new ATOM 0 HG3 ARG A 40 10.295 -5.989 5.341 1.00 12.52 H new ATOM 0 HD2 ARG A 40 12.211 -4.049 3.964 1.00 43.13 H new ATOM 0 HD3 ARG A 40 11.015 -3.633 5.175 1.00 43.13 H new ATOM 0 HE ARG A 40 12.604 -5.572 6.419 1.00 34.42 H new ATOM 0 HH11 ARG A 40 13.246 -2.406 4.913 1.00 52.41 H new ATOM 0 HH12 ARG A 40 14.629 -2.071 5.960 1.00 52.41 H new ATOM 0 HH21 ARG A 40 14.393 -5.140 7.702 1.00 22.14 H new ATOM 0 HH22 ARG A 40 15.277 -3.619 7.537 1.00 22.14 H new ATOM 689 N ARG A 41 8.685 -8.017 2.740 1.00 55.31 N ATOM 690 CA ARG A 41 7.634 -7.852 1.722 1.00 70.21 C ATOM 691 C ARG A 41 7.522 -6.378 1.270 1.00 45.11 C ATOM 692 O ARG A 41 7.836 -5.441 2.023 1.00 51.45 O ATOM 693 CB ARG A 41 6.260 -8.336 2.256 1.00 14.12 C ATOM 694 CG ARG A 41 6.240 -9.740 2.898 1.00 23.21 C ATOM 695 CD ARG A 41 4.907 -10.046 3.608 1.00 14.24 C ATOM 696 NE ARG A 41 4.934 -11.305 4.378 1.00 21.13 N ATOM 697 CZ ARG A 41 3.850 -12.015 4.732 1.00 5.40 C ATOM 698 NH1 ARG A 41 2.623 -11.623 4.382 1.00 15.35 N ATOM 699 NH2 ARG A 41 4.004 -13.118 5.452 1.00 24.23 N ATOM 0 H ARG A 41 8.331 -8.280 3.660 1.00 55.31 H new ATOM 0 HA ARG A 41 7.916 -8.463 0.865 1.00 70.21 H new ATOM 0 HB2 ARG A 41 5.905 -7.616 2.993 1.00 14.12 H new ATOM 0 HB3 ARG A 41 5.548 -8.325 1.431 1.00 14.12 H new ATOM 0 HG2 ARG A 41 6.418 -10.491 2.128 1.00 23.21 H new ATOM 0 HG3 ARG A 41 7.057 -9.819 3.616 1.00 23.21 H new ATOM 0 HD2 ARG A 41 4.663 -9.222 4.279 1.00 14.24 H new ATOM 0 HD3 ARG A 41 4.111 -10.099 2.865 1.00 14.24 H new ATOM 0 HE ARG A 41 5.845 -11.663 4.663 1.00 21.13 H new ATOM 0 HH11 ARG A 41 2.496 -10.771 3.836 1.00 15.35 H new ATOM 0 HH12 ARG A 41 1.812 -12.176 4.660 1.00 15.35 H new ATOM 0 HH21 ARG A 41 4.938 -13.419 5.731 1.00 24.23 H new ATOM 0 HH22 ARG A 41 3.189 -13.666 5.727 1.00 24.23 H new ATOM 713 N GLN A 42 7.080 -6.204 0.028 1.00 3.40 N ATOM 714 CA GLN A 42 6.712 -4.913 -0.553 1.00 72.45 C ATOM 715 C GLN A 42 5.254 -5.017 -1.008 1.00 12.42 C ATOM 716 O GLN A 42 4.873 -5.997 -1.662 1.00 51.54 O ATOM 717 CB GLN A 42 7.650 -4.542 -1.747 1.00 12.33 C ATOM 718 CG GLN A 42 7.703 -5.583 -2.895 1.00 22.33 C ATOM 719 CD GLN A 42 8.485 -5.111 -4.121 1.00 52.41 C ATOM 720 OE1 GLN A 42 9.690 -5.334 -4.231 1.00 23.31 O ATOM 721 NE2 GLN A 42 7.805 -4.441 -5.040 1.00 53.13 N ATOM 0 H GLN A 42 6.964 -6.980 -0.623 1.00 3.40 H new ATOM 0 HA GLN A 42 6.824 -4.119 0.186 1.00 72.45 H new ATOM 0 HB2 GLN A 42 7.326 -3.587 -2.159 1.00 12.33 H new ATOM 0 HB3 GLN A 42 8.660 -4.397 -1.363 1.00 12.33 H new ATOM 0 HG2 GLN A 42 8.154 -6.501 -2.519 1.00 22.33 H new ATOM 0 HG3 GLN A 42 6.685 -5.829 -3.197 1.00 22.33 H new ATOM 0 HE21 GLN A 42 6.806 -4.275 -4.915 1.00 53.13 H new ATOM 0 HE22 GLN A 42 8.280 -4.091 -5.872 1.00 53.13 H new ATOM 730 N LEU A 43 4.417 -4.043 -0.631 1.00 13.23 N ATOM 731 CA LEU A 43 3.030 -3.991 -1.111 1.00 53.14 C ATOM 732 C LEU A 43 2.997 -2.954 -2.237 1.00 44.22 C ATOM 733 O LEU A 43 3.130 -1.752 -1.987 1.00 24.32 O ATOM 734 CB LEU A 43 2.044 -3.618 0.051 1.00 43.32 C ATOM 735 CG LEU A 43 0.663 -4.363 0.070 1.00 53.43 C ATOM 736 CD1 LEU A 43 -0.213 -3.883 1.249 1.00 53.51 C ATOM 737 CD2 LEU A 43 -0.085 -4.249 -1.276 1.00 24.33 C ATOM 0 H LEU A 43 4.673 -3.284 0.001 1.00 13.23 H new ATOM 0 HA LEU A 43 2.704 -4.964 -1.478 1.00 53.14 H new ATOM 0 HB2 LEU A 43 2.547 -3.810 0.999 1.00 43.32 H new ATOM 0 HB3 LEU A 43 1.852 -2.546 0.003 1.00 43.32 H new ATOM 0 HG LEU A 43 0.874 -5.422 0.219 1.00 53.43 H new ATOM 0 HD11 LEU A 43 -1.164 -4.416 1.237 1.00 53.51 H new ATOM 0 HD12 LEU A 43 0.302 -4.081 2.189 1.00 53.51 H new ATOM 0 HD13 LEU A 43 -0.396 -2.813 1.154 1.00 53.51 H new ATOM 0 HD21 LEU A 43 -1.034 -4.781 -1.211 1.00 24.33 H new ATOM 0 HD22 LEU A 43 -0.272 -3.199 -1.500 1.00 24.33 H new ATOM 0 HD23 LEU A 43 0.523 -4.687 -2.068 1.00 24.33 H new ATOM 749 N THR A 44 2.856 -3.448 -3.468 1.00 5.15 N ATOM 750 CA THR A 44 2.782 -2.610 -4.653 1.00 3.51 C ATOM 751 C THR A 44 1.302 -2.287 -4.908 1.00 73.34 C ATOM 752 O THR A 44 0.564 -3.121 -5.422 1.00 0.31 O ATOM 753 CB THR A 44 3.411 -3.367 -5.876 1.00 32.21 C ATOM 754 OG1 THR A 44 4.733 -3.834 -5.533 1.00 24.44 O ATOM 755 CG2 THR A 44 3.490 -2.488 -7.130 1.00 54.15 C ATOM 0 H THR A 44 2.790 -4.446 -3.666 1.00 5.15 H new ATOM 0 HA THR A 44 3.340 -1.685 -4.512 1.00 3.51 H new ATOM 0 HB THR A 44 2.759 -4.210 -6.105 1.00 32.21 H new ATOM 0 HG1 THR A 44 5.122 -4.307 -6.298 1.00 24.44 H new ATOM 0 HG21 THR A 44 3.932 -3.058 -7.947 1.00 54.15 H new ATOM 0 HG22 THR A 44 2.488 -2.167 -7.413 1.00 54.15 H new ATOM 0 HG23 THR A 44 4.106 -1.613 -6.923 1.00 54.15 H new ATOM 763 N ILE A 45 0.889 -1.078 -4.528 1.00 31.13 N ATOM 764 CA ILE A 45 -0.498 -0.597 -4.675 1.00 14.35 C ATOM 765 C ILE A 45 -0.576 0.263 -5.940 1.00 61.01 C ATOM 766 O ILE A 45 0.399 0.902 -6.297 1.00 24.22 O ATOM 767 CB ILE A 45 -0.927 0.236 -3.408 1.00 70.14 C ATOM 768 CG1 ILE A 45 -0.762 -0.636 -2.121 1.00 4.40 C ATOM 769 CG2 ILE A 45 -2.371 0.800 -3.536 1.00 45.33 C ATOM 770 CD1 ILE A 45 -1.170 0.034 -0.828 1.00 0.14 C ATOM 0 H ILE A 45 1.511 -0.391 -4.103 1.00 31.13 H new ATOM 0 HA ILE A 45 -1.181 -1.442 -4.761 1.00 14.35 H new ATOM 0 HB ILE A 45 -0.269 1.101 -3.333 1.00 70.14 H new ATOM 0 HG12 ILE A 45 -1.351 -1.546 -2.241 1.00 4.40 H new ATOM 0 HG13 ILE A 45 0.282 -0.940 -2.040 1.00 4.40 H new ATOM 0 HG21 ILE A 45 -2.621 1.366 -2.639 1.00 45.33 H new ATOM 0 HG22 ILE A 45 -2.431 1.454 -4.406 1.00 45.33 H new ATOM 0 HG23 ILE A 45 -3.075 -0.024 -3.653 1.00 45.33 H new ATOM 0 HD11 ILE A 45 -1.017 -0.655 0.003 1.00 0.14 H new ATOM 0 HD12 ILE A 45 -0.565 0.928 -0.675 1.00 0.14 H new ATOM 0 HD13 ILE A 45 -2.223 0.313 -0.879 1.00 0.14 H new ATOM 782 N ARG A 46 -1.721 0.239 -6.631 1.00 31.33 N ATOM 783 CA ARG A 46 -1.941 0.968 -7.893 1.00 4.24 C ATOM 784 C ARG A 46 -3.388 1.471 -7.930 1.00 3.42 C ATOM 785 O ARG A 46 -4.334 0.703 -7.715 1.00 3.42 O ATOM 786 CB ARG A 46 -1.623 0.061 -9.121 1.00 51.23 C ATOM 787 CG ARG A 46 -0.118 -0.237 -9.313 1.00 13.41 C ATOM 788 CD ARG A 46 0.176 -1.207 -10.465 1.00 15.42 C ATOM 789 NE ARG A 46 1.624 -1.318 -10.716 1.00 35.12 N ATOM 790 CZ ARG A 46 2.192 -1.711 -11.868 1.00 21.42 C ATOM 791 NH1 ARG A 46 1.449 -2.062 -12.920 1.00 73.04 N ATOM 792 NH2 ARG A 46 3.515 -1.709 -11.968 1.00 63.13 N ATOM 0 H ARG A 46 -2.536 -0.295 -6.328 1.00 31.33 H new ATOM 0 HA ARG A 46 -1.266 1.822 -7.944 1.00 4.24 H new ATOM 0 HB2 ARG A 46 -2.158 -0.882 -9.011 1.00 51.23 H new ATOM 0 HB3 ARG A 46 -2.005 0.541 -10.022 1.00 51.23 H new ATOM 0 HG2 ARG A 46 0.409 0.700 -9.495 1.00 13.41 H new ATOM 0 HG3 ARG A 46 0.282 -0.653 -8.388 1.00 13.41 H new ATOM 0 HD2 ARG A 46 -0.230 -2.190 -10.228 1.00 15.42 H new ATOM 0 HD3 ARG A 46 -0.327 -0.864 -11.369 1.00 15.42 H new ATOM 0 HE ARG A 46 2.249 -1.075 -9.948 1.00 35.12 H new ATOM 0 HH11 ARG A 46 0.431 -2.034 -12.858 1.00 73.04 H new ATOM 0 HH12 ARG A 46 1.899 -2.358 -13.786 1.00 73.04 H new ATOM 0 HH21 ARG A 46 4.086 -1.412 -11.177 1.00 63.13 H new ATOM 0 HH22 ARG A 46 3.961 -2.005 -12.836 1.00 63.13 H new ATOM 806 N SER A 47 -3.546 2.779 -8.185 1.00 2.15 N ATOM 807 CA SER A 47 -4.854 3.445 -8.255 1.00 21.42 C ATOM 808 C SER A 47 -4.911 4.377 -9.478 1.00 10.25 C ATOM 809 O SER A 47 -3.876 4.896 -9.928 1.00 21.12 O ATOM 810 CB SER A 47 -5.109 4.229 -6.951 1.00 2.01 C ATOM 811 OG SER A 47 -5.080 3.381 -5.812 1.00 1.02 O ATOM 0 H SER A 47 -2.761 3.409 -8.350 1.00 2.15 H new ATOM 0 HA SER A 47 -5.636 2.694 -8.366 1.00 21.42 H new ATOM 0 HB2 SER A 47 -4.356 5.009 -6.843 1.00 2.01 H new ATOM 0 HB3 SER A 47 -6.077 4.727 -7.009 1.00 2.01 H new ATOM 0 HG SER A 47 -5.787 3.647 -5.188 1.00 1.02 H new ATOM 817 N ASN A 48 -6.136 4.589 -9.991 1.00 22.12 N ATOM 818 CA ASN A 48 -6.379 5.355 -11.235 1.00 24.11 C ATOM 819 C ASN A 48 -6.772 6.814 -10.926 1.00 64.13 C ATOM 820 O ASN A 48 -6.989 7.610 -11.850 1.00 23.31 O ATOM 821 CB ASN A 48 -7.481 4.651 -12.082 1.00 32.44 C ATOM 822 CG ASN A 48 -8.869 4.699 -11.428 1.00 35.11 C ATOM 823 OD1 ASN A 48 -9.209 3.838 -10.620 1.00 51.10 O ATOM 824 ND2 ASN A 48 -9.672 5.700 -11.774 1.00 43.14 N ATOM 0 H ASN A 48 -6.989 4.235 -9.557 1.00 22.12 H new ATOM 0 HA ASN A 48 -5.454 5.382 -11.811 1.00 24.11 H new ATOM 0 HB2 ASN A 48 -7.532 5.122 -13.063 1.00 32.44 H new ATOM 0 HB3 ASN A 48 -7.198 3.611 -12.242 1.00 32.44 H new ATOM 0 HD21 ASN A 48 -10.604 5.771 -11.365 1.00 43.14 H new ATOM 0 HD22 ASN A 48 -9.356 6.397 -12.448 1.00 43.14 H new ATOM 831 N ASP A 49 -6.856 7.164 -9.630 1.00 21.22 N ATOM 832 CA ASP A 49 -7.230 8.513 -9.182 1.00 42.12 C ATOM 833 C ASP A 49 -6.252 8.996 -8.098 1.00 42.14 C ATOM 834 O ASP A 49 -5.796 8.198 -7.267 1.00 50.54 O ATOM 835 CB ASP A 49 -8.696 8.526 -8.671 1.00 62.51 C ATOM 836 CG ASP A 49 -9.131 9.892 -8.113 1.00 72.10 C ATOM 837 OD1 ASP A 49 -9.126 10.888 -8.871 1.00 32.22 O ATOM 838 OD2 ASP A 49 -9.445 9.986 -6.913 1.00 25.22 O ATOM 0 H ASP A 49 -6.666 6.517 -8.865 1.00 21.22 H new ATOM 0 HA ASP A 49 -7.168 9.201 -10.025 1.00 42.12 H new ATOM 0 HB2 ASP A 49 -9.361 8.246 -9.488 1.00 62.51 H new ATOM 0 HB3 ASP A 49 -8.810 7.770 -7.894 1.00 62.51 H new ATOM 843 N LYS A 50 -5.931 10.311 -8.131 1.00 74.32 N ATOM 844 CA LYS A 50 -4.959 10.950 -7.217 1.00 22.24 C ATOM 845 C LYS A 50 -5.503 10.964 -5.772 1.00 54.11 C ATOM 846 O LYS A 50 -4.777 10.656 -4.829 1.00 32.11 O ATOM 847 CB LYS A 50 -4.619 12.421 -7.686 1.00 22.33 C ATOM 848 CG LYS A 50 -3.105 12.746 -7.813 1.00 13.01 C ATOM 849 CD LYS A 50 -2.277 12.394 -6.552 1.00 44.33 C ATOM 850 CE LYS A 50 -0.777 12.679 -6.746 1.00 71.34 C ATOM 851 NZ LYS A 50 0.061 12.131 -5.646 1.00 22.24 N ATOM 0 H LYS A 50 -6.344 10.962 -8.799 1.00 74.32 H new ATOM 0 HA LYS A 50 -4.041 10.363 -7.242 1.00 22.24 H new ATOM 0 HB2 LYS A 50 -5.093 12.595 -8.652 1.00 22.33 H new ATOM 0 HB3 LYS A 50 -5.066 13.122 -6.981 1.00 22.33 H new ATOM 0 HG2 LYS A 50 -2.698 12.203 -8.666 1.00 13.01 H new ATOM 0 HG3 LYS A 50 -2.989 13.809 -8.027 1.00 13.01 H new ATOM 0 HD2 LYS A 50 -2.648 12.969 -5.703 1.00 44.33 H new ATOM 0 HD3 LYS A 50 -2.417 11.341 -6.309 1.00 44.33 H new ATOM 0 HE2 LYS A 50 -0.450 12.251 -7.694 1.00 71.34 H new ATOM 0 HE3 LYS A 50 -0.622 13.756 -6.813 1.00 71.34 H new ATOM 0 HZ1 LYS A 50 0.913 12.716 -5.534 1.00 22.24 H new ATOM 0 HZ2 LYS A 50 -0.482 12.138 -4.759 1.00 22.24 H new ATOM 0 HZ3 LYS A 50 0.339 11.155 -5.874 1.00 22.24 H new ATOM 865 N ASN A 51 -6.786 11.318 -5.626 1.00 4.13 N ATOM 866 CA ASN A 51 -7.446 11.453 -4.302 1.00 23.14 C ATOM 867 C ASN A 51 -7.578 10.073 -3.627 1.00 33.31 C ATOM 868 O ASN A 51 -7.429 9.940 -2.404 1.00 15.35 O ATOM 869 CB ASN A 51 -8.847 12.104 -4.457 1.00 73.22 C ATOM 870 CG ASN A 51 -8.825 13.387 -5.286 1.00 3.54 C ATOM 871 OD1 ASN A 51 -8.629 14.486 -4.762 1.00 45.13 O ATOM 872 ND2 ASN A 51 -9.034 13.254 -6.590 1.00 52.35 N ATOM 0 H ASN A 51 -7.402 11.520 -6.413 1.00 4.13 H new ATOM 0 HA ASN A 51 -6.829 12.096 -3.674 1.00 23.14 H new ATOM 0 HB2 ASN A 51 -9.523 11.388 -4.924 1.00 73.22 H new ATOM 0 HB3 ASN A 51 -9.250 12.324 -3.468 1.00 73.22 H new ATOM 0 HD21 ASN A 51 -9.036 14.077 -7.193 1.00 52.35 H new ATOM 0 HD22 ASN A 51 -9.193 12.329 -6.989 1.00 52.35 H new ATOM 879 N GLU A 52 -7.859 9.071 -4.469 1.00 74.23 N ATOM 880 CA GLU A 52 -7.969 7.657 -4.091 1.00 73.42 C ATOM 881 C GLU A 52 -6.626 7.129 -3.556 1.00 62.11 C ATOM 882 O GLU A 52 -6.547 6.658 -2.414 1.00 13.43 O ATOM 883 CB GLU A 52 -8.437 6.870 -5.341 1.00 35.22 C ATOM 884 CG GLU A 52 -8.508 5.346 -5.207 1.00 2.14 C ATOM 885 CD GLU A 52 -9.080 4.694 -6.478 1.00 75.33 C ATOM 886 OE1 GLU A 52 -8.397 4.730 -7.534 1.00 61.14 O ATOM 887 OE2 GLU A 52 -10.215 4.164 -6.435 1.00 64.22 O ATOM 0 H GLU A 52 -8.021 9.227 -5.464 1.00 74.23 H new ATOM 0 HA GLU A 52 -8.694 7.531 -3.287 1.00 73.42 H new ATOM 0 HB2 GLU A 52 -9.426 7.233 -5.622 1.00 35.22 H new ATOM 0 HB3 GLU A 52 -7.764 7.108 -6.165 1.00 35.22 H new ATOM 0 HG2 GLU A 52 -7.512 4.950 -5.011 1.00 2.14 H new ATOM 0 HG3 GLU A 52 -9.130 5.084 -4.351 1.00 2.14 H new ATOM 894 N VAL A 53 -5.566 7.277 -4.379 1.00 11.45 N ATOM 895 CA VAL A 53 -4.211 6.773 -4.056 1.00 25.15 C ATOM 896 C VAL A 53 -3.620 7.522 -2.838 1.00 53.55 C ATOM 897 O VAL A 53 -2.831 6.958 -2.079 1.00 23.21 O ATOM 898 CB VAL A 53 -3.234 6.866 -5.300 1.00 1.21 C ATOM 899 CG1 VAL A 53 -2.705 8.298 -5.551 1.00 21.41 C ATOM 900 CG2 VAL A 53 -2.077 5.844 -5.187 1.00 51.25 C ATOM 0 H VAL A 53 -5.623 7.747 -5.283 1.00 11.45 H new ATOM 0 HA VAL A 53 -4.311 5.719 -3.798 1.00 25.15 H new ATOM 0 HB VAL A 53 -3.829 6.606 -6.176 1.00 1.21 H new ATOM 0 HG11 VAL A 53 -2.042 8.294 -6.416 1.00 21.41 H new ATOM 0 HG12 VAL A 53 -3.544 8.968 -5.740 1.00 21.41 H new ATOM 0 HG13 VAL A 53 -2.156 8.642 -4.674 1.00 21.41 H new ATOM 0 HG21 VAL A 53 -1.426 5.934 -6.056 1.00 51.25 H new ATOM 0 HG22 VAL A 53 -1.504 6.042 -4.282 1.00 51.25 H new ATOM 0 HG23 VAL A 53 -2.486 4.835 -5.144 1.00 51.25 H new ATOM 910 N ASP A 54 -4.052 8.784 -2.655 1.00 74.33 N ATOM 911 CA ASP A 54 -3.581 9.648 -1.565 1.00 1.13 C ATOM 912 C ASP A 54 -4.183 9.217 -0.228 1.00 32.05 C ATOM 913 O ASP A 54 -3.494 9.235 0.795 1.00 33.30 O ATOM 914 CB ASP A 54 -3.921 11.128 -1.859 1.00 62.45 C ATOM 915 CG ASP A 54 -3.274 12.093 -0.855 1.00 14.44 C ATOM 916 OD1 ASP A 54 -2.022 12.205 -0.853 1.00 34.52 O ATOM 917 OD2 ASP A 54 -3.996 12.750 -0.074 1.00 30.23 O ATOM 0 H ASP A 54 -4.739 9.231 -3.262 1.00 74.33 H new ATOM 0 HA ASP A 54 -2.498 9.548 -1.498 1.00 1.13 H new ATOM 0 HB2 ASP A 54 -3.588 11.380 -2.866 1.00 62.45 H new ATOM 0 HB3 ASP A 54 -5.003 11.259 -1.838 1.00 62.45 H new ATOM 922 N ARG A 55 -5.473 8.820 -0.261 1.00 55.54 N ATOM 923 CA ARG A 55 -6.191 8.324 0.933 1.00 45.50 C ATOM 924 C ARG A 55 -5.557 7.012 1.450 1.00 53.24 C ATOM 925 O ARG A 55 -5.589 6.731 2.649 1.00 3.15 O ATOM 926 CB ARG A 55 -7.707 8.107 0.647 1.00 15.14 C ATOM 927 CG ARG A 55 -8.535 7.791 1.918 1.00 10.22 C ATOM 928 CD ARG A 55 -10.012 7.471 1.651 1.00 44.11 C ATOM 929 NE ARG A 55 -10.754 7.214 2.905 1.00 5.31 N ATOM 930 CZ ARG A 55 -11.165 6.010 3.350 1.00 45.40 C ATOM 931 NH1 ARG A 55 -10.910 4.904 2.668 1.00 70.33 N ATOM 932 NH2 ARG A 55 -11.846 5.928 4.487 1.00 62.54 N ATOM 0 H ARG A 55 -6.042 8.834 -1.108 1.00 55.54 H new ATOM 0 HA ARG A 55 -6.100 9.090 1.703 1.00 45.50 H new ATOM 0 HB2 ARG A 55 -8.111 9.001 0.172 1.00 15.14 H new ATOM 0 HB3 ARG A 55 -7.821 7.289 -0.065 1.00 15.14 H new ATOM 0 HG2 ARG A 55 -8.080 6.944 2.432 1.00 10.22 H new ATOM 0 HG3 ARG A 55 -8.477 8.643 2.595 1.00 10.22 H new ATOM 0 HD2 ARG A 55 -10.474 8.303 1.119 1.00 44.11 H new ATOM 0 HD3 ARG A 55 -10.083 6.599 1.001 1.00 44.11 H new ATOM 0 HE ARG A 55 -10.975 8.023 3.486 1.00 5.31 H new ATOM 0 HH11 ARG A 55 -10.394 4.954 1.789 1.00 70.33 H new ATOM 0 HH12 ARG A 55 -11.229 4.002 3.021 1.00 70.33 H new ATOM 0 HH21 ARG A 55 -12.055 6.773 5.018 1.00 62.54 H new ATOM 0 HH22 ARG A 55 -12.160 5.020 4.829 1.00 62.54 H new ATOM 946 N ILE A 56 -4.982 6.232 0.522 1.00 71.22 N ATOM 947 CA ILE A 56 -4.288 4.965 0.831 1.00 31.12 C ATOM 948 C ILE A 56 -2.867 5.253 1.370 1.00 2.34 C ATOM 949 O ILE A 56 -2.424 4.636 2.353 1.00 21.22 O ATOM 950 CB ILE A 56 -4.199 4.071 -0.460 1.00 32.20 C ATOM 951 CG1 ILE A 56 -5.620 3.843 -1.075 1.00 23.31 C ATOM 952 CG2 ILE A 56 -3.497 2.723 -0.162 1.00 11.43 C ATOM 953 CD1 ILE A 56 -5.612 3.272 -2.482 1.00 3.11 C ATOM 0 H ILE A 56 -4.984 6.461 -0.472 1.00 71.22 H new ATOM 0 HA ILE A 56 -4.854 4.432 1.595 1.00 31.12 H new ATOM 0 HB ILE A 56 -3.593 4.601 -1.195 1.00 32.20 H new ATOM 0 HG12 ILE A 56 -6.179 3.169 -0.426 1.00 23.31 H new ATOM 0 HG13 ILE A 56 -6.155 4.793 -1.085 1.00 23.31 H new ATOM 0 HG21 ILE A 56 -3.451 2.127 -1.074 1.00 11.43 H new ATOM 0 HG22 ILE A 56 -2.486 2.911 0.200 1.00 11.43 H new ATOM 0 HG23 ILE A 56 -4.059 2.180 0.598 1.00 11.43 H new ATOM 0 HD11 ILE A 56 -6.637 3.146 -2.830 1.00 3.11 H new ATOM 0 HD12 ILE A 56 -5.084 3.954 -3.148 1.00 3.11 H new ATOM 0 HD13 ILE A 56 -5.109 2.305 -2.479 1.00 3.11 H new ATOM 965 N LEU A 57 -2.184 6.202 0.699 1.00 44.01 N ATOM 966 CA LEU A 57 -0.813 6.633 1.023 1.00 30.30 C ATOM 967 C LEU A 57 -0.709 7.105 2.484 1.00 15.23 C ATOM 968 O LEU A 57 0.144 6.630 3.236 1.00 14.22 O ATOM 969 CB LEU A 57 -0.371 7.772 0.060 1.00 44.54 C ATOM 970 CG LEU A 57 1.129 8.211 0.141 1.00 64.15 C ATOM 971 CD1 LEU A 57 2.070 7.084 -0.319 1.00 61.21 C ATOM 972 CD2 LEU A 57 1.377 9.513 -0.658 1.00 71.32 C ATOM 0 H LEU A 57 -2.580 6.699 -0.099 1.00 44.01 H new ATOM 0 HA LEU A 57 -0.149 5.778 0.896 1.00 30.30 H new ATOM 0 HB2 LEU A 57 -0.579 7.455 -0.962 1.00 44.54 H new ATOM 0 HB3 LEU A 57 -0.993 8.645 0.256 1.00 44.54 H new ATOM 0 HG LEU A 57 1.354 8.418 1.187 1.00 64.15 H new ATOM 0 HD11 LEU A 57 3.104 7.422 -0.250 1.00 61.21 H new ATOM 0 HD12 LEU A 57 1.931 6.211 0.318 1.00 61.21 H new ATOM 0 HD13 LEU A 57 1.843 6.819 -1.352 1.00 61.21 H new ATOM 0 HD21 LEU A 57 2.428 9.792 -0.582 1.00 71.32 H new ATOM 0 HD22 LEU A 57 1.119 9.352 -1.705 1.00 71.32 H new ATOM 0 HD23 LEU A 57 0.759 10.313 -0.251 1.00 71.32 H new ATOM 984 N GLU A 58 -1.604 8.025 2.869 1.00 42.41 N ATOM 985 CA GLU A 58 -1.685 8.535 4.251 1.00 51.43 C ATOM 986 C GLU A 58 -2.087 7.421 5.238 1.00 23.04 C ATOM 987 O GLU A 58 -1.580 7.379 6.354 1.00 71.31 O ATOM 988 CB GLU A 58 -2.702 9.698 4.346 1.00 12.52 C ATOM 989 CG GLU A 58 -4.137 9.308 3.935 1.00 53.10 C ATOM 990 CD GLU A 58 -5.153 10.444 4.014 1.00 53.13 C ATOM 991 OE1 GLU A 58 -5.750 10.640 5.091 1.00 44.03 O ATOM 992 OE2 GLU A 58 -5.376 11.140 3.000 1.00 45.41 O ATOM 0 H GLU A 58 -2.291 8.437 2.237 1.00 42.41 H new ATOM 0 HA GLU A 58 -0.694 8.899 4.521 1.00 51.43 H new ATOM 0 HB2 GLU A 58 -2.717 10.072 5.370 1.00 12.52 H new ATOM 0 HB3 GLU A 58 -2.363 10.517 3.712 1.00 12.52 H new ATOM 0 HG2 GLU A 58 -4.117 8.927 2.914 1.00 53.10 H new ATOM 0 HG3 GLU A 58 -4.474 8.492 4.574 1.00 53.10 H new ATOM 999 N GLU A 59 -2.969 6.503 4.784 1.00 75.04 N ATOM 1000 CA GLU A 59 -3.619 5.507 5.658 1.00 23.33 C ATOM 1001 C GLU A 59 -2.616 4.492 6.198 1.00 15.11 C ATOM 1002 O GLU A 59 -2.683 4.145 7.369 1.00 63.04 O ATOM 1003 CB GLU A 59 -4.776 4.798 4.921 1.00 11.14 C ATOM 1004 CG GLU A 59 -5.655 3.903 5.818 1.00 14.14 C ATOM 1005 CD GLU A 59 -6.908 3.379 5.097 1.00 43.44 C ATOM 1006 OE1 GLU A 59 -6.827 2.339 4.418 1.00 11.10 O ATOM 1007 OE2 GLU A 59 -7.987 4.005 5.218 1.00 30.44 O ATOM 0 H GLU A 59 -3.248 6.433 3.805 1.00 75.04 H new ATOM 0 HA GLU A 59 -4.035 6.043 6.511 1.00 23.33 H new ATOM 0 HB2 GLU A 59 -5.408 5.553 4.453 1.00 11.14 H new ATOM 0 HB3 GLU A 59 -4.359 4.189 4.119 1.00 11.14 H new ATOM 0 HG2 GLU A 59 -5.064 3.057 6.169 1.00 14.14 H new ATOM 0 HG3 GLU A 59 -5.959 4.468 6.700 1.00 14.14 H new ATOM 1014 N VAL A 60 -1.689 4.032 5.340 1.00 42.22 N ATOM 1015 CA VAL A 60 -0.591 3.135 5.763 1.00 20.10 C ATOM 1016 C VAL A 60 0.381 3.876 6.718 1.00 41.44 C ATOM 1017 O VAL A 60 0.864 3.300 7.702 1.00 32.22 O ATOM 1018 CB VAL A 60 0.166 2.505 4.533 1.00 62.14 C ATOM 1019 CG1 VAL A 60 0.655 3.560 3.527 1.00 32.53 C ATOM 1020 CG2 VAL A 60 1.327 1.590 4.995 1.00 32.20 C ATOM 0 H VAL A 60 -1.675 4.265 4.347 1.00 42.22 H new ATOM 0 HA VAL A 60 -1.035 2.304 6.311 1.00 20.10 H new ATOM 0 HB VAL A 60 -0.563 1.890 4.006 1.00 62.14 H new ATOM 0 HG11 VAL A 60 1.169 3.066 2.702 1.00 32.53 H new ATOM 0 HG12 VAL A 60 -0.198 4.118 3.141 1.00 32.53 H new ATOM 0 HG13 VAL A 60 1.342 4.245 4.024 1.00 32.53 H new ATOM 0 HG21 VAL A 60 1.829 1.171 4.123 1.00 32.20 H new ATOM 0 HG22 VAL A 60 2.039 2.173 5.579 1.00 32.20 H new ATOM 0 HG23 VAL A 60 0.931 0.781 5.609 1.00 32.20 H new ATOM 1030 N ARG A 61 0.597 5.175 6.448 1.00 32.33 N ATOM 1031 CA ARG A 61 1.441 6.062 7.283 1.00 73.45 C ATOM 1032 C ARG A 61 0.775 6.353 8.661 1.00 52.13 C ATOM 1033 O ARG A 61 1.460 6.728 9.620 1.00 54.20 O ATOM 1034 CB ARG A 61 1.730 7.373 6.495 1.00 35.25 C ATOM 1035 CG ARG A 61 2.591 7.170 5.219 1.00 43.01 C ATOM 1036 CD ARG A 61 2.574 8.393 4.268 1.00 50.05 C ATOM 1037 NE ARG A 61 3.004 9.642 4.921 1.00 25.42 N ATOM 1038 CZ ARG A 61 2.590 10.882 4.592 1.00 70.24 C ATOM 1039 NH1 ARG A 61 1.695 11.083 3.620 1.00 10.40 N ATOM 1040 NH2 ARG A 61 3.073 11.919 5.259 1.00 13.42 N ATOM 0 H ARG A 61 0.190 5.647 5.640 1.00 32.33 H new ATOM 0 HA ARG A 61 2.385 5.561 7.498 1.00 73.45 H new ATOM 0 HB2 ARG A 61 0.782 7.830 6.211 1.00 35.25 H new ATOM 0 HB3 ARG A 61 2.238 8.076 7.155 1.00 35.25 H new ATOM 0 HG2 ARG A 61 3.620 6.961 5.513 1.00 43.01 H new ATOM 0 HG3 ARG A 61 2.229 6.294 4.680 1.00 43.01 H new ATOM 0 HD2 ARG A 61 3.225 8.193 3.417 1.00 50.05 H new ATOM 0 HD3 ARG A 61 1.566 8.525 3.874 1.00 50.05 H new ATOM 0 HE ARG A 61 3.672 9.561 5.688 1.00 25.42 H new ATOM 0 HH11 ARG A 61 1.310 10.289 3.109 1.00 10.40 H new ATOM 0 HH12 ARG A 61 1.397 12.031 3.389 1.00 10.40 H new ATOM 0 HH21 ARG A 61 3.748 11.773 6.009 1.00 13.42 H new ATOM 0 HH22 ARG A 61 2.770 12.864 5.022 1.00 13.42 H new ATOM 1054 N ARG A 62 -0.563 6.173 8.738 1.00 41.35 N ATOM 1055 CA ARG A 62 -1.346 6.301 9.991 1.00 55.24 C ATOM 1056 C ARG A 62 -1.473 4.941 10.703 1.00 14.04 C ATOM 1057 O ARG A 62 -1.402 4.860 11.934 1.00 35.20 O ATOM 1058 CB ARG A 62 -2.777 6.846 9.689 1.00 64.02 C ATOM 1059 CG ARG A 62 -2.835 8.267 9.102 1.00 20.20 C ATOM 1060 CD ARG A 62 -2.267 9.335 10.042 1.00 15.31 C ATOM 1061 NE ARG A 62 -2.504 10.693 9.538 1.00 54.12 N ATOM 1062 CZ ARG A 62 -1.933 11.807 10.009 1.00 74.42 C ATOM 1063 NH1 ARG A 62 -1.055 11.760 11.008 1.00 74.44 N ATOM 1064 NH2 ARG A 62 -2.254 12.976 9.474 1.00 24.14 N ATOM 0 H ARG A 62 -1.135 5.933 7.928 1.00 41.35 H new ATOM 0 HA ARG A 62 -0.816 6.999 10.639 1.00 55.24 H new ATOM 0 HB2 ARG A 62 -3.267 6.164 8.994 1.00 64.02 H new ATOM 0 HB3 ARG A 62 -3.355 6.829 10.613 1.00 64.02 H new ATOM 0 HG2 ARG A 62 -2.281 8.288 8.163 1.00 20.20 H new ATOM 0 HG3 ARG A 62 -3.870 8.513 8.867 1.00 20.20 H new ATOM 0 HD2 ARG A 62 -2.721 9.230 11.027 1.00 15.31 H new ATOM 0 HD3 ARG A 62 -1.196 9.176 10.166 1.00 15.31 H new ATOM 0 HE ARG A 62 -3.159 10.796 8.763 1.00 54.12 H new ATOM 0 HH11 ARG A 62 -0.807 10.864 11.428 1.00 74.44 H new ATOM 0 HH12 ARG A 62 -0.630 12.620 11.354 1.00 74.44 H new ATOM 0 HH21 ARG A 62 -2.930 13.019 8.711 1.00 24.14 H new ATOM 0 HH22 ARG A 62 -1.825 13.832 9.825 1.00 24.14 H new ATOM 1078 N LYS A 63 -1.661 3.881 9.904 1.00 0.41 N ATOM 1079 CA LYS A 63 -2.063 2.555 10.398 1.00 73.31 C ATOM 1080 C LYS A 63 -0.878 1.841 11.050 1.00 72.21 C ATOM 1081 O LYS A 63 -1.008 1.251 12.129 1.00 44.33 O ATOM 1082 CB LYS A 63 -2.596 1.688 9.216 1.00 32.44 C ATOM 1083 CG LYS A 63 -3.172 0.312 9.620 1.00 64.32 C ATOM 1084 CD LYS A 63 -4.494 0.417 10.415 1.00 20.12 C ATOM 1085 CE LYS A 63 -5.663 0.920 9.546 1.00 64.05 C ATOM 1086 NZ LYS A 63 -6.909 1.091 10.341 1.00 25.11 N ATOM 0 H LYS A 63 -1.538 3.919 8.892 1.00 0.41 H new ATOM 0 HA LYS A 63 -2.849 2.690 11.141 1.00 73.31 H new ATOM 0 HB2 LYS A 63 -3.371 2.250 8.694 1.00 32.44 H new ATOM 0 HB3 LYS A 63 -1.784 1.530 8.506 1.00 32.44 H new ATOM 0 HG2 LYS A 63 -3.341 -0.282 8.722 1.00 64.32 H new ATOM 0 HG3 LYS A 63 -2.435 -0.221 10.221 1.00 64.32 H new ATOM 0 HD2 LYS A 63 -4.745 -0.560 10.827 1.00 20.12 H new ATOM 0 HD3 LYS A 63 -4.355 1.093 11.259 1.00 20.12 H new ATOM 0 HE2 LYS A 63 -5.392 1.871 9.087 1.00 64.05 H new ATOM 0 HE3 LYS A 63 -5.843 0.214 8.735 1.00 64.05 H new ATOM 0 HZ1 LYS A 63 -7.672 1.430 9.721 1.00 25.11 H new ATOM 0 HZ2 LYS A 63 -7.182 0.179 10.759 1.00 25.11 H new ATOM 0 HZ3 LYS A 63 -6.745 1.784 11.099 1.00 25.11 H new ATOM 1100 N VAL A 64 0.285 1.921 10.391 1.00 24.23 N ATOM 1101 CA VAL A 64 1.478 1.142 10.757 1.00 12.33 C ATOM 1102 C VAL A 64 2.755 2.029 10.649 1.00 1.43 C ATOM 1103 O VAL A 64 3.131 2.460 9.549 1.00 3.24 O ATOM 1104 CB VAL A 64 1.576 -0.181 9.883 1.00 11.43 C ATOM 1105 CG1 VAL A 64 0.512 -1.218 10.336 1.00 62.03 C ATOM 1106 CG2 VAL A 64 1.434 0.099 8.369 1.00 33.44 C ATOM 0 H VAL A 64 0.427 2.530 9.585 1.00 24.23 H new ATOM 0 HA VAL A 64 1.394 0.824 11.796 1.00 12.33 H new ATOM 0 HB VAL A 64 2.572 -0.592 10.046 1.00 11.43 H new ATOM 0 HG11 VAL A 64 0.596 -2.117 9.725 1.00 62.03 H new ATOM 0 HG12 VAL A 64 0.676 -1.474 11.383 1.00 62.03 H new ATOM 0 HG13 VAL A 64 -0.484 -0.792 10.219 1.00 62.03 H new ATOM 0 HG21 VAL A 64 1.508 -0.838 7.817 1.00 33.44 H new ATOM 0 HG22 VAL A 64 0.466 0.560 8.173 1.00 33.44 H new ATOM 0 HG23 VAL A 64 2.228 0.773 8.048 1.00 33.44 H new ATOM 1116 N PRO A 65 3.442 2.334 11.809 1.00 43.22 N ATOM 1117 CA PRO A 65 4.612 3.254 11.854 1.00 31.21 C ATOM 1118 C PRO A 65 5.942 2.578 11.456 1.00 63.32 C ATOM 1119 O PRO A 65 7.006 3.207 11.514 1.00 51.51 O ATOM 1120 CB PRO A 65 4.618 3.700 13.335 1.00 2.01 C ATOM 1121 CG PRO A 65 4.146 2.490 14.084 1.00 24.34 C ATOM 1122 CD PRO A 65 3.136 1.804 13.173 1.00 42.42 C ATOM 0 HA PRO A 65 4.527 4.073 11.140 1.00 31.21 H new ATOM 0 HB2 PRO A 65 5.615 4.004 13.656 1.00 2.01 H new ATOM 0 HB3 PRO A 65 3.958 4.552 13.497 1.00 2.01 H new ATOM 0 HG2 PRO A 65 4.978 1.825 14.316 1.00 24.34 H new ATOM 0 HG3 PRO A 65 3.689 2.771 15.033 1.00 24.34 H new ATOM 0 HD2 PRO A 65 3.240 0.720 13.210 1.00 42.42 H new ATOM 0 HD3 PRO A 65 2.113 2.036 13.469 1.00 42.42 H new ATOM 1130 N ASN A 66 5.866 1.298 11.064 1.00 13.32 N ATOM 1131 CA ASN A 66 7.034 0.493 10.652 1.00 3.12 C ATOM 1132 C ASN A 66 7.194 0.513 9.124 1.00 25.10 C ATOM 1133 O ASN A 66 8.254 0.158 8.596 1.00 23.04 O ATOM 1134 CB ASN A 66 6.863 -0.966 11.145 1.00 52.34 C ATOM 1135 CG ASN A 66 6.747 -1.081 12.670 1.00 12.44 C ATOM 1136 OD1 ASN A 66 7.748 -1.227 13.364 1.00 40.41 O ATOM 1137 ND2 ASN A 66 5.527 -1.036 13.193 1.00 10.15 N ATOM 0 H ASN A 66 4.986 0.784 11.022 1.00 13.32 H new ATOM 0 HA ASN A 66 7.930 0.924 11.099 1.00 3.12 H new ATOM 0 HB2 ASN A 66 5.972 -1.395 10.686 1.00 52.34 H new ATOM 0 HB3 ASN A 66 7.713 -1.559 10.806 1.00 52.34 H new ATOM 0 HD21 ASN A 66 5.401 -1.124 14.201 1.00 10.15 H new ATOM 0 HD22 ASN A 66 4.716 -0.913 12.586 1.00 10.15 H new ATOM 1144 N ALA A 67 6.134 0.946 8.431 1.00 35.23 N ATOM 1145 CA ALA A 67 6.054 0.912 6.971 1.00 0.11 C ATOM 1146 C ALA A 67 6.836 2.074 6.339 1.00 74.55 C ATOM 1147 O ALA A 67 6.451 3.233 6.483 1.00 2.43 O ATOM 1148 CB ALA A 67 4.581 0.933 6.543 1.00 2.30 C ATOM 0 H ALA A 67 5.301 1.333 8.875 1.00 35.23 H new ATOM 0 HA ALA A 67 6.515 -0.009 6.613 1.00 0.11 H new ATOM 0 HB1 ALA A 67 4.518 0.908 5.455 1.00 2.30 H new ATOM 0 HB2 ALA A 67 4.070 0.064 6.956 1.00 2.30 H new ATOM 0 HB3 ALA A 67 4.108 1.842 6.913 1.00 2.30 H new ATOM 1154 N ARG A 68 7.964 1.744 5.686 1.00 65.11 N ATOM 1155 CA ARG A 68 8.703 2.672 4.813 1.00 43.34 C ATOM 1156 C ARG A 68 7.934 2.786 3.482 1.00 44.21 C ATOM 1157 O ARG A 68 7.971 1.870 2.661 1.00 45.42 O ATOM 1158 CB ARG A 68 10.144 2.134 4.583 1.00 72.54 C ATOM 1159 CG ARG A 68 11.035 2.999 3.662 1.00 71.22 C ATOM 1160 CD ARG A 68 11.377 4.372 4.263 1.00 13.04 C ATOM 1161 NE ARG A 68 12.220 5.168 3.349 1.00 44.34 N ATOM 1162 CZ ARG A 68 13.420 5.701 3.648 1.00 24.30 C ATOM 1163 NH1 ARG A 68 13.966 5.534 4.843 1.00 53.15 N ATOM 1164 NH2 ARG A 68 14.073 6.398 2.734 1.00 64.34 N ATOM 0 H ARG A 68 8.391 0.820 5.750 1.00 65.11 H new ATOM 0 HA ARG A 68 8.784 3.658 5.271 1.00 43.34 H new ATOM 0 HB2 ARG A 68 10.636 2.038 5.551 1.00 72.54 H new ATOM 0 HB3 ARG A 68 10.076 1.132 4.159 1.00 72.54 H new ATOM 0 HG2 ARG A 68 11.960 2.461 3.453 1.00 71.22 H new ATOM 0 HG3 ARG A 68 10.527 3.144 2.708 1.00 71.22 H new ATOM 0 HD2 ARG A 68 10.457 4.916 4.477 1.00 13.04 H new ATOM 0 HD3 ARG A 68 11.895 4.236 5.212 1.00 13.04 H new ATOM 0 HE ARG A 68 11.862 5.328 2.408 1.00 44.34 H new ATOM 0 HH11 ARG A 68 13.477 4.994 5.556 1.00 53.15 H new ATOM 0 HH12 ARG A 68 14.876 5.946 5.050 1.00 53.15 H new ATOM 0 HH21 ARG A 68 13.668 6.530 1.807 1.00 64.34 H new ATOM 0 HH22 ARG A 68 14.982 6.804 2.955 1.00 64.34 H new ATOM 1178 N VAL A 69 7.225 3.901 3.295 1.00 21.34 N ATOM 1179 CA VAL A 69 6.263 4.075 2.196 1.00 35.23 C ATOM 1180 C VAL A 69 6.791 5.113 1.197 1.00 50.11 C ATOM 1181 O VAL A 69 6.958 6.288 1.549 1.00 45.20 O ATOM 1182 CB VAL A 69 4.860 4.518 2.763 1.00 5.13 C ATOM 1183 CG1 VAL A 69 3.821 4.667 1.640 1.00 51.44 C ATOM 1184 CG2 VAL A 69 4.364 3.530 3.845 1.00 73.31 C ATOM 0 H VAL A 69 7.300 4.716 3.904 1.00 21.34 H new ATOM 0 HA VAL A 69 6.140 3.123 1.679 1.00 35.23 H new ATOM 0 HB VAL A 69 4.987 5.496 3.227 1.00 5.13 H new ATOM 0 HG11 VAL A 69 2.866 4.973 2.066 1.00 51.44 H new ATOM 0 HG12 VAL A 69 4.159 5.421 0.929 1.00 51.44 H new ATOM 0 HG13 VAL A 69 3.700 3.713 1.127 1.00 51.44 H new ATOM 0 HG21 VAL A 69 3.395 3.858 4.220 1.00 73.31 H new ATOM 0 HG22 VAL A 69 4.268 2.534 3.412 1.00 73.31 H new ATOM 0 HG23 VAL A 69 5.080 3.501 4.666 1.00 73.31 H new ATOM 1194 N ARG A 70 7.054 4.671 -0.046 1.00 64.04 N ATOM 1195 CA ARG A 70 7.611 5.522 -1.112 1.00 54.41 C ATOM 1196 C ARG A 70 6.693 5.444 -2.345 1.00 62.42 C ATOM 1197 O ARG A 70 6.511 4.359 -2.915 1.00 44.34 O ATOM 1198 CB ARG A 70 9.080 5.074 -1.433 1.00 15.33 C ATOM 1199 CG ARG A 70 9.929 6.092 -2.252 1.00 12.22 C ATOM 1200 CD ARG A 70 9.829 5.927 -3.781 1.00 73.33 C ATOM 1201 NE ARG A 70 10.510 4.695 -4.246 1.00 44.03 N ATOM 1202 CZ ARG A 70 11.128 4.545 -5.434 1.00 24.40 C ATOM 1203 NH1 ARG A 70 11.171 5.548 -6.317 1.00 50.44 N ATOM 1204 NH2 ARG A 70 11.698 3.387 -5.732 1.00 5.42 N ATOM 0 H ARG A 70 6.885 3.709 -0.340 1.00 64.04 H new ATOM 0 HA ARG A 70 7.654 6.563 -0.791 1.00 54.41 H new ATOM 0 HB2 ARG A 70 9.593 4.873 -0.493 1.00 15.33 H new ATOM 0 HB3 ARG A 70 9.042 4.134 -1.983 1.00 15.33 H new ATOM 0 HG2 ARG A 70 9.616 7.102 -1.987 1.00 12.22 H new ATOM 0 HG3 ARG A 70 10.974 5.994 -1.957 1.00 12.22 H new ATOM 0 HD2 ARG A 70 8.780 5.896 -4.076 1.00 73.33 H new ATOM 0 HD3 ARG A 70 10.272 6.794 -4.270 1.00 73.33 H new ATOM 0 HE ARG A 70 10.511 3.894 -3.614 1.00 44.03 H new ATOM 0 HH11 ARG A 70 10.732 6.442 -6.095 1.00 50.44 H new ATOM 0 HH12 ARG A 70 11.643 5.419 -7.212 1.00 50.44 H new ATOM 0 HH21 ARG A 70 11.667 2.617 -5.064 1.00 5.42 H new ATOM 0 HH22 ARG A 70 12.168 3.266 -6.629 1.00 5.42 H new ATOM 1218 N GLU A 71 6.118 6.601 -2.732 1.00 11.23 N ATOM 1219 CA GLU A 71 5.220 6.712 -3.892 1.00 50.04 C ATOM 1220 C GLU A 71 6.044 6.815 -5.192 1.00 61.43 C ATOM 1221 O GLU A 71 7.028 7.566 -5.266 1.00 45.03 O ATOM 1222 CB GLU A 71 4.295 7.953 -3.751 1.00 0.34 C ATOM 1223 CG GLU A 71 3.353 8.194 -4.967 1.00 21.31 C ATOM 1224 CD GLU A 71 2.614 9.547 -4.945 1.00 13.25 C ATOM 1225 OE1 GLU A 71 3.267 10.581 -4.676 1.00 15.14 O ATOM 1226 OE2 GLU A 71 1.388 9.587 -5.209 1.00 41.35 O ATOM 0 H GLU A 71 6.266 7.485 -2.245 1.00 11.23 H new ATOM 0 HA GLU A 71 4.598 5.818 -3.933 1.00 50.04 H new ATOM 0 HB2 GLU A 71 3.687 7.838 -2.853 1.00 0.34 H new ATOM 0 HB3 GLU A 71 4.914 8.838 -3.606 1.00 0.34 H new ATOM 0 HG2 GLU A 71 3.940 8.130 -5.883 1.00 21.31 H new ATOM 0 HG3 GLU A 71 2.616 7.392 -5.004 1.00 21.31 H new ATOM 1233 N THR A 72 5.635 6.029 -6.185 1.00 22.01 N ATOM 1234 CA THR A 72 6.161 6.060 -7.553 1.00 73.34 C ATOM 1235 C THR A 72 4.995 6.362 -8.524 1.00 51.23 C ATOM 1236 O THR A 72 4.088 5.544 -8.680 1.00 23.04 O ATOM 1237 CB THR A 72 6.795 4.664 -7.892 1.00 75.42 C ATOM 1238 OG1 THR A 72 5.860 3.626 -7.562 1.00 11.31 O ATOM 1239 CG2 THR A 72 8.096 4.405 -7.122 1.00 4.00 C ATOM 0 H THR A 72 4.904 5.329 -6.058 1.00 22.01 H new ATOM 0 HA THR A 72 6.925 6.831 -7.650 1.00 73.34 H new ATOM 0 HB THR A 72 7.027 4.667 -8.957 1.00 75.42 H new ATOM 0 HG1 THR A 72 6.186 3.127 -6.784 1.00 11.31 H new ATOM 0 HG21 THR A 72 8.491 3.426 -7.394 1.00 4.00 H new ATOM 0 HG22 THR A 72 8.827 5.174 -7.373 1.00 4.00 H new ATOM 0 HG23 THR A 72 7.896 4.430 -6.051 1.00 4.00 H new ATOM 1247 N GLU A 73 5.016 7.534 -9.164 1.00 25.11 N ATOM 1248 CA GLU A 73 3.955 7.938 -10.111 1.00 64.05 C ATOM 1249 C GLU A 73 4.426 7.640 -11.534 1.00 72.45 C ATOM 1250 O GLU A 73 5.177 8.425 -12.123 1.00 41.14 O ATOM 1251 CB GLU A 73 3.631 9.444 -9.931 1.00 62.24 C ATOM 1252 CG GLU A 73 3.296 9.817 -8.482 1.00 73.51 C ATOM 1253 CD GLU A 73 3.092 11.317 -8.283 1.00 54.10 C ATOM 1254 OE1 GLU A 73 4.099 12.044 -8.145 1.00 42.42 O ATOM 1255 OE2 GLU A 73 1.934 11.785 -8.272 1.00 34.33 O ATOM 0 H GLU A 73 5.756 8.227 -9.048 1.00 25.11 H new ATOM 0 HA GLU A 73 3.042 7.376 -9.916 1.00 64.05 H new ATOM 0 HB2 GLU A 73 4.484 10.036 -10.265 1.00 62.24 H new ATOM 0 HB3 GLU A 73 2.790 9.708 -10.572 1.00 62.24 H new ATOM 0 HG2 GLU A 73 2.392 9.290 -8.177 1.00 73.51 H new ATOM 0 HG3 GLU A 73 4.100 9.476 -7.830 1.00 73.51 H new ATOM 1262 N THR A 74 3.973 6.498 -12.080 1.00 13.24 N ATOM 1263 CA THR A 74 4.401 6.011 -13.395 1.00 62.44 C ATOM 1264 C THR A 74 3.648 6.757 -14.520 1.00 13.34 C ATOM 1265 O THR A 74 2.506 6.424 -14.866 1.00 10.01 O ATOM 1266 CB THR A 74 4.215 4.457 -13.501 1.00 1.42 C ATOM 1267 OG1 THR A 74 2.858 4.080 -13.203 1.00 33.11 O ATOM 1268 CG2 THR A 74 5.165 3.711 -12.538 1.00 52.01 C ATOM 0 H THR A 74 3.298 5.888 -11.618 1.00 13.24 H new ATOM 0 HA THR A 74 5.464 6.219 -13.515 1.00 62.44 H new ATOM 0 HB THR A 74 4.454 4.176 -14.527 1.00 1.42 H new ATOM 0 HG1 THR A 74 2.343 4.878 -12.961 1.00 33.11 H new ATOM 0 HG21 THR A 74 5.012 2.636 -12.635 1.00 52.01 H new ATOM 0 HG22 THR A 74 6.198 3.954 -12.786 1.00 52.01 H new ATOM 0 HG23 THR A 74 4.956 4.016 -11.512 1.00 52.01 H new