USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 754 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 73 MET CE :methyl -157:sc= -0.37 (180deg=-2.28) USER MOD Set 1.2: A 84 TYR OH : rot 98:sc= -3.43! USER MOD Set 2.1: A 48 LYS NZ :NH3+ -126:sc= 0.148 (180deg=-1.54) USER MOD Set 2.2: A 75 SER OG : rot -109:sc= 0 USER MOD Set 3.1: A 12 THR OG1 : rot -84:sc= 0.193 USER MOD Set 3.2: A 13 ASN : amide:sc= -1.04 K(o=-0.85,f=-6.6!) USER MOD Single : A 5 ASN : amide:sc= -0.0887 X(o=-0.089,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -168:sc= 0 (180deg=-0.112) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= -1.11 (180deg=-1.3) USER MOD Single : A 28 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.0093) USER MOD Single : A 29 THR OG1 : rot 49:sc= 1.05 USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= -0.451 (180deg=-1.67!) USER MOD Single : A 39 ASN : amide:sc= -4.81! C(o=-4.8!,f=-6.6!) USER MOD Single : A 41 MET CE :methyl 151:sc= -0.179 (180deg=-1.16) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -134:sc= -1.51 (180deg=-2.07) USER MOD Single : A 49 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.51) USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= -0.294 (180deg=-0.351) USER MOD Single : A 54 LYS NZ :NH3+ -103:sc= -0.0643 (180deg=-0.823) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.0938 X(o=-0.094,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -2.5! C(o=-2.5!,f=-5.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.433 X(o=-0.43,f=-0.71) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -12.1! C(o=-12!,f=-9.4!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.0078) USER MOD Single : A 97 HIS : no HD1:sc= -0.324 K(o=-0.32,f=-1.4) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -133:sc= -2.57 USER MOD Single : A 100 HIS : no HD1:sc= 0 K(o=0,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 5 -0.092 22.070 -3.507 1.00 0.76 N ATOM 16 CA ASN A 5 -0.127 21.862 -2.062 1.00 0.53 C ATOM 17 C ASN A 5 -0.502 20.422 -1.736 1.00 0.49 C ATOM 18 O ASN A 5 -0.435 19.542 -2.593 1.00 0.60 O ATOM 19 CB ASN A 5 -1.121 22.817 -1.388 1.00 0.52 C ATOM 20 CG ASN A 5 -1.270 24.136 -2.128 1.00 0.63 C ATOM 21 OD1 ASN A 5 -0.503 25.074 -1.906 1.00 1.19 O ATOM 22 ND2 ASN A 5 -2.260 24.215 -3.008 1.00 1.41 N ATOM 0 HA ASN A 5 0.871 22.069 -1.676 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -2.095 22.332 -1.321 1.00 0.52 H new ATOM 0 HB3 ASN A 5 -0.793 23.014 -0.368 1.00 0.52 H new ATOM 0 HD21 ASN A 5 -2.409 25.077 -3.532 1.00 1.41 H new ATOM 0 HD22 ASN A 5 -2.872 23.413 -3.161 1.00 1.41 H new ATOM 29 N LYS A 6 -0.903 20.194 -0.493 1.00 0.45 N ATOM 30 CA LYS A 6 -1.298 18.862 -0.051 1.00 0.49 C ATOM 31 C LYS A 6 -2.795 18.815 0.232 1.00 0.49 C ATOM 32 O LYS A 6 -3.312 19.590 1.036 1.00 0.56 O ATOM 33 CB LYS A 6 -0.510 18.433 1.200 1.00 0.64 C ATOM 34 CG LYS A 6 0.323 19.539 1.838 1.00 1.28 C ATOM 35 CD LYS A 6 1.560 19.856 1.014 1.00 1.76 C ATOM 36 CE LYS A 6 1.938 21.324 1.122 1.00 2.52 C ATOM 37 NZ LYS A 6 2.987 21.553 2.155 1.00 3.06 N ATOM 0 H LYS A 6 -0.964 20.913 0.228 1.00 0.45 H new ATOM 0 HA LYS A 6 -1.067 18.163 -0.855 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -1.212 18.051 1.942 1.00 0.64 H new ATOM 0 HB3 LYS A 6 0.150 17.608 0.932 1.00 0.64 H new ATOM 0 HG2 LYS A 6 -0.285 20.438 1.943 1.00 1.28 H new ATOM 0 HG3 LYS A 6 0.622 19.237 2.842 1.00 1.28 H new ATOM 0 HD2 LYS A 6 2.392 19.239 1.352 1.00 1.76 H new ATOM 0 HD3 LYS A 6 1.378 19.602 -0.030 1.00 1.76 H new ATOM 0 HE2 LYS A 6 2.297 21.679 0.156 1.00 2.52 H new ATOM 0 HE3 LYS A 6 1.052 21.910 1.368 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 3.217 22.566 2.198 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 2.636 21.238 3.082 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 3.841 21.014 1.907 1.00 3.06 H new ATOM 51 N ARG A 7 -3.488 17.901 -0.439 1.00 0.50 N ATOM 52 CA ARG A 7 -4.927 17.753 -0.263 1.00 0.52 C ATOM 53 C ARG A 7 -5.329 16.284 -0.339 1.00 0.47 C ATOM 54 O ARG A 7 -5.039 15.596 -1.320 1.00 0.43 O ATOM 55 CB ARG A 7 -5.683 18.564 -1.316 1.00 0.57 C ATOM 56 CG ARG A 7 -6.201 19.897 -0.800 1.00 0.77 C ATOM 57 CD ARG A 7 -5.126 20.972 -0.847 1.00 0.64 C ATOM 58 NE ARG A 7 -5.477 22.052 -1.768 1.00 0.98 N ATOM 59 CZ ARG A 7 -5.022 23.298 -1.660 1.00 1.66 C ATOM 60 NH1 ARG A 7 -4.183 23.626 -0.684 1.00 2.46 N ATOM 61 NH2 ARG A 7 -5.403 24.220 -2.534 1.00 2.11 N ATOM 0 H ARG A 7 -3.076 17.252 -1.109 1.00 0.50 H new ATOM 0 HA ARG A 7 -5.190 18.134 0.724 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -5.025 18.744 -2.166 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -6.523 17.974 -1.683 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -7.057 20.211 -1.397 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -6.554 19.779 0.225 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -4.977 21.381 0.152 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -4.180 20.526 -1.153 1.00 0.64 H new ATOM 0 HE ARG A 7 -6.109 21.838 -2.540 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -3.883 22.921 -0.011 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -3.839 24.583 -0.608 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -6.044 23.974 -3.288 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -5.055 25.175 -2.452 1.00 2.11 H new ATOM 75 N ALA A 8 -5.992 15.813 0.715 1.00 0.50 N ATOM 76 CA ALA A 8 -6.437 14.423 0.810 1.00 0.47 C ATOM 77 C ALA A 8 -6.924 13.870 -0.531 1.00 0.44 C ATOM 78 O ALA A 8 -7.812 14.444 -1.160 1.00 0.56 O ATOM 79 CB ALA A 8 -7.540 14.303 1.850 1.00 0.54 C ATOM 0 H ALA A 8 -6.236 16.382 1.526 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.575 13.828 1.110 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -7.867 13.265 1.916 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -7.162 14.627 2.820 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -8.383 14.931 1.561 1.00 0.54 H new ATOM 85 N PRO A 9 -6.357 12.733 -0.976 1.00 0.36 N ATOM 86 CA PRO A 9 -6.745 12.097 -2.226 1.00 0.37 C ATOM 87 C PRO A 9 -7.898 11.121 -2.029 1.00 0.37 C ATOM 88 O PRO A 9 -7.839 10.242 -1.169 1.00 0.40 O ATOM 89 CB PRO A 9 -5.470 11.360 -2.631 1.00 0.39 C ATOM 90 CG PRO A 9 -4.806 10.995 -1.342 1.00 0.51 C ATOM 91 CD PRO A 9 -5.301 11.964 -0.291 1.00 0.41 C ATOM 0 HA PRO A 9 -7.101 12.806 -2.973 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.698 10.473 -3.222 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -4.826 11.993 -3.241 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -5.047 9.969 -1.063 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.722 11.053 -1.438 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.692 11.440 0.581 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.500 12.614 0.061 1.00 0.41 H new ATOM 99 N TYR A 10 -8.947 11.281 -2.827 1.00 0.38 N ATOM 100 CA TYR A 10 -10.114 10.412 -2.730 1.00 0.41 C ATOM 101 C TYR A 10 -9.898 9.121 -3.511 1.00 0.38 C ATOM 102 O TYR A 10 -9.620 9.147 -4.711 1.00 0.44 O ATOM 103 CB TYR A 10 -11.360 11.135 -3.247 1.00 0.49 C ATOM 104 CG TYR A 10 -11.711 12.374 -2.453 1.00 1.15 C ATOM 105 CD1 TYR A 10 -10.978 13.544 -2.598 1.00 1.90 C ATOM 106 CD2 TYR A 10 -12.774 12.372 -1.561 1.00 2.02 C ATOM 107 CE1 TYR A 10 -11.295 14.679 -1.875 1.00 2.78 C ATOM 108 CE2 TYR A 10 -13.100 13.502 -0.836 1.00 2.96 C ATOM 109 CZ TYR A 10 -12.356 14.652 -0.995 1.00 3.18 C ATOM 110 OH TYR A 10 -12.676 15.779 -0.275 1.00 4.20 O ATOM 0 H TYR A 10 -9.014 12.001 -3.546 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.260 10.159 -1.680 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -11.203 11.413 -4.289 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -12.205 10.447 -3.225 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -10.147 13.568 -3.287 1.00 1.90 H new ATOM 0 HD2 TYR A 10 -13.356 11.472 -1.431 1.00 2.02 H new ATOM 0 HE1 TYR A 10 -10.715 15.582 -1.999 1.00 2.78 H new ATOM 0 HE2 TYR A 10 -13.933 13.485 -0.149 1.00 2.96 H new ATOM 0 HH TYR A 10 -13.449 15.593 0.298 1.00 4.20 H new ATOM 120 N TRP A 11 -10.027 7.994 -2.820 1.00 0.47 N ATOM 121 CA TRP A 11 -9.847 6.685 -3.437 1.00 0.49 C ATOM 122 C TRP A 11 -10.626 6.583 -4.746 1.00 0.42 C ATOM 123 O TRP A 11 -11.819 6.879 -4.798 1.00 0.45 O ATOM 124 CB TRP A 11 -10.294 5.578 -2.478 1.00 0.60 C ATOM 125 CG TRP A 11 -11.482 5.950 -1.642 1.00 0.83 C ATOM 126 CD1 TRP A 11 -12.412 6.912 -1.916 1.00 1.71 C ATOM 127 CD2 TRP A 11 -11.868 5.366 -0.392 1.00 1.65 C ATOM 128 NE1 TRP A 11 -13.350 6.963 -0.912 1.00 2.26 N ATOM 129 CE2 TRP A 11 -13.037 6.023 0.033 1.00 2.17 C ATOM 130 CE3 TRP A 11 -11.338 4.349 0.409 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -13.686 5.697 1.222 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -11.982 4.028 1.588 1.00 3.54 C ATOM 133 CH2 TRP A 11 -13.145 4.699 1.985 1.00 3.60 C ATOM 0 H TRP A 11 -10.257 7.961 -1.827 1.00 0.47 H new ATOM 0 HA TRP A 11 -8.787 6.561 -3.657 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -10.532 4.684 -3.054 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -9.464 5.322 -1.820 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -12.411 7.541 -2.794 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -14.148 7.597 -0.877 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -10.442 3.825 0.111 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -14.583 6.213 1.530 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -11.581 3.245 2.215 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -13.625 4.423 2.912 1.00 3.60 H new ATOM 144 N THR A 12 -9.940 6.156 -5.803 1.00 0.45 N ATOM 145 CA THR A 12 -10.568 6.009 -7.109 1.00 0.50 C ATOM 146 C THR A 12 -10.961 4.558 -7.362 1.00 0.55 C ATOM 147 O THR A 12 -12.058 4.276 -7.847 1.00 0.64 O ATOM 148 CB THR A 12 -9.638 6.487 -8.245 1.00 0.61 C ATOM 149 OG1 THR A 12 -10.172 6.091 -9.515 1.00 1.28 O ATOM 150 CG2 THR A 12 -8.235 5.921 -8.083 1.00 1.23 C ATOM 0 H THR A 12 -8.951 5.907 -5.779 1.00 0.45 H new ATOM 0 HA THR A 12 -11.462 6.633 -7.103 1.00 0.50 H new ATOM 0 HB THR A 12 -9.578 7.574 -8.195 1.00 0.61 H new ATOM 0 HG1 THR A 12 -9.895 5.172 -9.714 1.00 1.28 H new ATOM 0 HG21 THR A 12 -7.603 6.275 -8.898 1.00 1.23 H new ATOM 0 HG22 THR A 12 -7.818 6.250 -7.131 1.00 1.23 H new ATOM 0 HG23 THR A 12 -8.277 4.832 -8.104 1.00 1.23 H new ATOM 158 N ASN A 13 -10.065 3.642 -7.015 1.00 0.56 N ATOM 159 CA ASN A 13 -10.322 2.217 -7.186 1.00 0.66 C ATOM 160 C ASN A 13 -10.680 1.571 -5.851 1.00 0.63 C ATOM 161 O ASN A 13 -9.988 1.767 -4.854 1.00 0.58 O ATOM 162 CB ASN A 13 -9.100 1.523 -7.793 1.00 0.73 C ATOM 163 CG ASN A 13 -8.769 2.042 -9.177 1.00 1.35 C ATOM 164 OD1 ASN A 13 -9.016 3.206 -9.492 1.00 2.05 O ATOM 165 ND2 ASN A 13 -8.207 1.179 -10.015 1.00 1.96 N ATOM 0 H ASN A 13 -9.153 3.861 -6.613 1.00 0.56 H new ATOM 0 HA ASN A 13 -11.166 2.102 -7.866 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -8.241 1.668 -7.138 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -9.283 0.450 -7.845 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -7.963 1.472 -10.961 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -8.019 0.223 -9.713 1.00 1.96 H new ATOM 172 N THR A 14 -11.760 0.795 -5.836 1.00 0.74 N ATOM 173 CA THR A 14 -12.189 0.123 -4.616 1.00 0.78 C ATOM 174 C THR A 14 -11.152 -0.906 -4.181 1.00 0.76 C ATOM 175 O THR A 14 -10.759 -1.773 -4.964 1.00 0.78 O ATOM 176 CB THR A 14 -13.547 -0.580 -4.804 1.00 0.92 C ATOM 177 OG1 THR A 14 -14.331 0.118 -5.778 1.00 1.06 O ATOM 178 CG2 THR A 14 -14.305 -0.649 -3.489 1.00 1.15 C ATOM 0 H THR A 14 -12.350 0.617 -6.649 1.00 0.74 H new ATOM 0 HA THR A 14 -12.295 0.888 -3.847 1.00 0.78 H new ATOM 0 HB THR A 14 -13.360 -1.596 -5.152 1.00 0.92 H new ATOM 0 HG1 THR A 14 -15.192 -0.337 -5.892 1.00 1.06 H new ATOM 0 HG21 THR A 14 -15.261 -1.149 -3.646 1.00 1.15 H new ATOM 0 HG22 THR A 14 -13.718 -1.208 -2.760 1.00 1.15 H new ATOM 0 HG23 THR A 14 -14.481 0.360 -3.117 1.00 1.15 H new ATOM 186 N GLU A 15 -10.742 -0.845 -2.919 1.00 0.76 N ATOM 187 CA GLU A 15 -9.777 -1.797 -2.394 1.00 0.77 C ATOM 188 C GLU A 15 -10.451 -3.130 -2.087 1.00 0.82 C ATOM 189 O GLU A 15 -9.791 -4.164 -1.978 1.00 0.82 O ATOM 190 CB GLU A 15 -9.121 -1.240 -1.129 1.00 0.79 C ATOM 191 CG GLU A 15 -10.117 -0.692 -0.120 1.00 1.35 C ATOM 192 CD GLU A 15 -10.141 0.823 -0.088 1.00 1.75 C ATOM 193 OE1 GLU A 15 -10.880 1.422 -0.898 1.00 2.06 O ATOM 194 OE2 GLU A 15 -9.422 1.412 0.746 1.00 2.50 O ATOM 0 H GLU A 15 -11.062 -0.149 -2.245 1.00 0.76 H new ATOM 0 HA GLU A 15 -9.009 -1.961 -3.150 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -8.534 -2.028 -0.657 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -8.426 -0.448 -1.408 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -11.113 -1.062 -0.361 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -9.868 -1.069 0.872 1.00 1.35 H new ATOM 201 N LYS A 16 -11.774 -3.098 -1.974 1.00 0.88 N ATOM 202 CA LYS A 16 -12.541 -4.299 -1.706 1.00 0.95 C ATOM 203 C LYS A 16 -12.478 -5.252 -2.895 1.00 0.98 C ATOM 204 O LYS A 16 -12.843 -6.423 -2.776 1.00 1.01 O ATOM 205 CB LYS A 16 -13.996 -3.940 -1.395 1.00 1.04 C ATOM 206 CG LYS A 16 -14.860 -5.143 -1.050 1.00 1.44 C ATOM 207 CD LYS A 16 -15.954 -5.357 -2.082 1.00 1.61 C ATOM 208 CE LYS A 16 -17.023 -6.311 -1.574 1.00 2.37 C ATOM 209 NZ LYS A 16 -18.172 -5.585 -0.965 1.00 2.83 N ATOM 0 H LYS A 16 -12.334 -2.250 -2.065 1.00 0.88 H new ATOM 0 HA LYS A 16 -12.108 -4.798 -0.839 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -14.018 -3.237 -0.562 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -14.427 -3.429 -2.256 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -14.236 -6.035 -0.989 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -15.309 -5.000 -0.067 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -16.410 -4.399 -2.334 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -15.518 -5.753 -2.999 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -17.380 -6.929 -2.398 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -16.587 -6.985 -0.836 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -18.879 -6.271 -0.631 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -17.836 -5.015 -0.162 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -18.604 -4.961 -1.676 1.00 2.83 H new ATOM 223 N MET A 17 -12.023 -4.753 -4.049 1.00 0.98 N ATOM 224 CA MET A 17 -11.933 -5.586 -5.240 1.00 1.04 C ATOM 225 C MET A 17 -10.541 -5.544 -5.869 1.00 1.03 C ATOM 226 O MET A 17 -10.408 -5.730 -7.080 1.00 1.17 O ATOM 227 CB MET A 17 -12.978 -5.146 -6.267 1.00 1.21 C ATOM 228 CG MET A 17 -14.363 -4.947 -5.674 1.00 1.44 C ATOM 229 SD MET A 17 -15.680 -5.342 -6.840 1.00 1.83 S ATOM 230 CE MET A 17 -15.268 -4.251 -8.199 1.00 2.16 C ATOM 0 H MET A 17 -11.716 -3.789 -4.178 1.00 0.98 H new ATOM 0 HA MET A 17 -12.125 -6.614 -4.933 1.00 1.04 H new ATOM 0 HB2 MET A 17 -12.652 -4.214 -6.729 1.00 1.21 H new ATOM 0 HB3 MET A 17 -13.034 -5.892 -7.059 1.00 1.21 H new ATOM 0 HG2 MET A 17 -14.468 -5.573 -4.788 1.00 1.44 H new ATOM 0 HG3 MET A 17 -14.469 -3.912 -5.348 1.00 1.44 H new ATOM 0 HE1 MET A 17 -16.099 -4.219 -8.904 1.00 2.16 H new ATOM 0 HE2 MET A 17 -15.078 -3.248 -7.816 1.00 2.16 H new ATOM 0 HE3 MET A 17 -14.376 -4.621 -8.705 1.00 2.16 H new ATOM 240 N GLU A 18 -9.505 -5.290 -5.071 1.00 0.95 N ATOM 241 CA GLU A 18 -8.155 -5.224 -5.631 1.00 1.06 C ATOM 242 C GLU A 18 -7.058 -5.514 -4.607 1.00 0.96 C ATOM 243 O GLU A 18 -6.065 -6.163 -4.935 1.00 1.57 O ATOM 244 CB GLU A 18 -7.923 -3.846 -6.254 1.00 1.43 C ATOM 245 CG GLU A 18 -6.520 -3.655 -6.803 1.00 1.29 C ATOM 246 CD GLU A 18 -6.483 -2.706 -7.984 1.00 2.13 C ATOM 247 OE1 GLU A 18 -7.088 -3.032 -9.027 1.00 2.88 O ATOM 248 OE2 GLU A 18 -5.848 -1.637 -7.867 1.00 2.56 O ATOM 0 H GLU A 18 -9.568 -5.131 -4.065 1.00 0.95 H new ATOM 0 HA GLU A 18 -8.092 -6.005 -6.388 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -8.643 -3.695 -7.059 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -8.118 -3.080 -5.504 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -5.873 -3.273 -6.013 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -6.117 -4.622 -7.105 1.00 1.29 H new ATOM 255 N LYS A 19 -7.204 -5.011 -3.386 1.00 0.84 N ATOM 256 CA LYS A 19 -6.172 -5.212 -2.364 1.00 1.08 C ATOM 257 C LYS A 19 -6.531 -6.314 -1.368 1.00 0.87 C ATOM 258 O LYS A 19 -5.653 -7.048 -0.916 1.00 0.87 O ATOM 259 CB LYS A 19 -5.873 -3.914 -1.596 1.00 1.66 C ATOM 260 CG LYS A 19 -6.614 -2.688 -2.099 1.00 2.57 C ATOM 261 CD LYS A 19 -6.160 -2.290 -3.492 1.00 2.87 C ATOM 262 CE LYS A 19 -6.570 -0.862 -3.818 1.00 3.55 C ATOM 263 NZ LYS A 19 -7.367 -0.784 -5.073 1.00 4.14 N ATOM 0 H LYS A 19 -8.012 -4.469 -3.079 1.00 0.84 H new ATOM 0 HA LYS A 19 -5.280 -5.524 -2.908 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -6.122 -4.065 -0.546 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -4.802 -3.719 -1.645 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -7.685 -2.889 -2.109 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -6.452 -1.857 -1.412 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -5.077 -2.386 -3.565 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -6.591 -2.971 -4.226 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -7.153 -0.455 -2.992 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -5.679 -0.242 -3.915 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -7.510 0.213 -5.332 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -6.858 -1.271 -5.838 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -8.290 -1.240 -4.927 1.00 4.14 H new ATOM 277 N ARG A 20 -7.805 -6.426 -1.010 1.00 0.98 N ATOM 278 CA ARG A 20 -8.235 -7.443 -0.046 1.00 0.92 C ATOM 279 C ARG A 20 -8.256 -8.842 -0.663 1.00 0.94 C ATOM 280 O ARG A 20 -9.284 -9.518 -0.651 1.00 1.30 O ATOM 281 CB ARG A 20 -9.623 -7.099 0.501 1.00 0.95 C ATOM 282 CG ARG A 20 -10.704 -7.068 -0.565 1.00 1.64 C ATOM 283 CD ARG A 20 -12.079 -7.332 0.031 1.00 2.15 C ATOM 284 NE ARG A 20 -12.885 -8.204 -0.819 1.00 2.67 N ATOM 285 CZ ARG A 20 -14.067 -8.692 -0.461 1.00 3.29 C ATOM 286 NH1 ARG A 20 -14.576 -8.397 0.727 1.00 3.51 N ATOM 287 NH2 ARG A 20 -14.740 -9.476 -1.291 1.00 4.11 N ATOM 0 H ARG A 20 -8.555 -5.833 -1.366 1.00 0.98 H new ATOM 0 HA ARG A 20 -7.510 -7.447 0.768 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -9.896 -7.829 1.263 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -9.580 -6.127 0.992 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -10.701 -6.097 -1.060 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -10.487 -7.816 -1.328 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -11.966 -7.788 1.015 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -12.599 -6.385 0.176 1.00 2.15 H new ATOM 0 HE ARG A 20 -12.520 -8.452 -1.739 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -14.060 -7.794 1.368 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -15.484 -8.773 1.000 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -14.350 -9.705 -2.205 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -15.648 -9.851 -1.015 1.00 4.11 H new ATOM 348 N VAL A 24 -2.816 -15.228 -2.062 1.00 0.78 N ATOM 349 CA VAL A 24 -1.480 -14.721 -2.360 1.00 0.74 C ATOM 350 C VAL A 24 -0.484 -15.862 -2.561 1.00 0.68 C ATOM 351 O VAL A 24 -0.493 -16.842 -1.814 1.00 0.77 O ATOM 352 CB VAL A 24 -0.965 -13.803 -1.237 1.00 0.81 C ATOM 353 CG1 VAL A 24 0.385 -13.210 -1.610 1.00 1.32 C ATOM 354 CG2 VAL A 24 -1.974 -12.705 -0.940 1.00 1.30 C ATOM 0 HA VAL A 24 -1.562 -14.148 -3.284 1.00 0.74 H new ATOM 0 HB VAL A 24 -0.837 -14.400 -0.334 1.00 0.81 H new ATOM 0 HG11 VAL A 24 0.734 -12.564 -0.804 1.00 1.32 H new ATOM 0 HG12 VAL A 24 1.104 -14.014 -1.768 1.00 1.32 H new ATOM 0 HG13 VAL A 24 0.286 -12.627 -2.526 1.00 1.32 H new ATOM 0 HG21 VAL A 24 -1.593 -12.066 -0.144 1.00 1.30 H new ATOM 0 HG22 VAL A 24 -2.137 -12.108 -1.837 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -2.917 -13.153 -0.626 1.00 1.30 H new ATOM 364 N PRO A 25 0.395 -15.749 -3.573 1.00 0.61 N ATOM 365 CA PRO A 25 1.401 -16.773 -3.862 1.00 0.63 C ATOM 366 C PRO A 25 2.594 -16.696 -2.913 1.00 0.57 C ATOM 367 O PRO A 25 3.218 -15.643 -2.772 1.00 0.52 O ATOM 368 CB PRO A 25 1.830 -16.438 -5.288 1.00 0.72 C ATOM 369 CG PRO A 25 1.651 -14.963 -5.394 1.00 0.71 C ATOM 370 CD PRO A 25 0.479 -14.614 -4.513 1.00 0.65 C ATOM 0 HA PRO A 25 1.010 -17.783 -3.742 1.00 0.63 H new ATOM 0 HB2 PRO A 25 2.865 -16.726 -5.469 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.219 -16.966 -6.021 1.00 0.72 H new ATOM 0 HG2 PRO A 25 2.550 -14.438 -5.071 1.00 0.71 H new ATOM 0 HG3 PRO A 25 1.463 -14.667 -6.426 1.00 0.71 H new ATOM 0 HD2 PRO A 25 0.639 -13.672 -3.989 1.00 0.65 H new ATOM 0 HD3 PRO A 25 -0.438 -14.505 -5.092 1.00 0.65 H new ATOM 378 N ALA A 26 2.906 -17.813 -2.264 1.00 0.61 N ATOM 379 CA ALA A 26 4.025 -17.866 -1.330 1.00 0.60 C ATOM 380 C ALA A 26 5.365 -17.776 -2.059 1.00 0.54 C ATOM 381 O ALA A 26 5.538 -18.351 -3.134 1.00 0.58 O ATOM 382 CB ALA A 26 3.958 -19.141 -0.502 1.00 0.71 C ATOM 0 H ALA A 26 2.400 -18.693 -2.367 1.00 0.61 H new ATOM 0 HA ALA A 26 3.949 -17.005 -0.666 1.00 0.60 H new ATOM 0 HB1 ALA A 26 4.799 -19.169 0.191 1.00 0.71 H new ATOM 0 HB2 ALA A 26 3.024 -19.162 0.059 1.00 0.71 H new ATOM 0 HB3 ALA A 26 4.004 -20.007 -1.163 1.00 0.71 H new ATOM 388 N ALA A 27 6.310 -17.055 -1.462 1.00 0.50 N ATOM 389 CA ALA A 27 7.637 -16.891 -2.047 1.00 0.48 C ATOM 390 C ALA A 27 7.584 -16.066 -3.333 1.00 0.43 C ATOM 391 O ALA A 27 8.485 -16.144 -4.168 1.00 0.46 O ATOM 392 CB ALA A 27 8.265 -18.250 -2.318 1.00 0.55 C ATOM 0 H ALA A 27 6.181 -16.574 -0.572 1.00 0.50 H new ATOM 0 HA ALA A 27 8.254 -16.350 -1.329 1.00 0.48 H new ATOM 0 HB1 ALA A 27 9.254 -18.113 -2.754 1.00 0.55 H new ATOM 0 HB2 ALA A 27 8.354 -18.803 -1.383 1.00 0.55 H new ATOM 0 HB3 ALA A 27 7.637 -18.809 -3.011 1.00 0.55 H new ATOM 398 N ASN A 28 6.523 -15.280 -3.485 1.00 0.39 N ATOM 399 CA ASN A 28 6.351 -14.442 -4.667 1.00 0.36 C ATOM 400 C ASN A 28 6.184 -12.978 -4.276 1.00 0.30 C ATOM 401 O ASN A 28 5.983 -12.659 -3.104 1.00 0.29 O ATOM 402 CB ASN A 28 5.139 -14.909 -5.476 1.00 0.40 C ATOM 403 CG ASN A 28 5.535 -15.538 -6.797 1.00 0.77 C ATOM 404 OD1 ASN A 28 6.152 -14.893 -7.644 1.00 1.42 O ATOM 405 ND2 ASN A 28 5.181 -16.806 -6.980 1.00 1.36 N ATOM 0 H ASN A 28 5.768 -15.206 -2.803 1.00 0.39 H new ATOM 0 HA ASN A 28 7.246 -14.534 -5.282 1.00 0.36 H new ATOM 0 HB2 ASN A 28 4.570 -15.630 -4.889 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.481 -14.060 -5.663 1.00 0.40 H new ATOM 0 HD21 ASN A 28 5.420 -17.282 -7.850 1.00 1.36 H new ATOM 0 HD22 ASN A 28 4.670 -17.303 -6.251 1.00 1.36 H new ATOM 412 N THR A 29 6.260 -12.089 -5.262 1.00 0.30 N ATOM 413 CA THR A 29 6.108 -10.659 -5.009 1.00 0.28 C ATOM 414 C THR A 29 4.633 -10.308 -4.869 1.00 0.30 C ATOM 415 O THR A 29 3.778 -10.936 -5.491 1.00 0.33 O ATOM 416 CB THR A 29 6.729 -9.800 -6.128 1.00 0.32 C ATOM 417 OG1 THR A 29 6.238 -8.459 -6.042 1.00 0.96 O ATOM 418 CG2 THR A 29 6.409 -10.374 -7.500 1.00 0.92 C ATOM 0 H THR A 29 6.425 -12.331 -6.239 1.00 0.30 H new ATOM 0 HA THR A 29 6.638 -10.439 -4.082 1.00 0.28 H new ATOM 0 HB THR A 29 7.811 -9.803 -5.997 1.00 0.32 H new ATOM 0 HG1 THR A 29 6.314 -8.141 -5.118 1.00 0.96 H new ATOM 0 HG21 THR A 29 6.859 -9.748 -8.270 1.00 0.92 H new ATOM 0 HG22 THR A 29 6.810 -11.385 -7.574 1.00 0.92 H new ATOM 0 HG23 THR A 29 5.328 -10.401 -7.640 1.00 0.92 H new ATOM 426 N VAL A 30 4.334 -9.329 -4.023 1.00 0.33 N ATOM 427 CA VAL A 30 2.950 -8.941 -3.785 1.00 0.39 C ATOM 428 C VAL A 30 2.586 -7.595 -4.403 1.00 0.35 C ATOM 429 O VAL A 30 3.339 -6.626 -4.328 1.00 0.35 O ATOM 430 CB VAL A 30 2.637 -8.900 -2.280 1.00 0.47 C ATOM 431 CG1 VAL A 30 1.134 -8.856 -2.055 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.257 -10.093 -1.571 1.00 0.57 C ATOM 0 H VAL A 30 5.024 -8.794 -3.495 1.00 0.33 H new ATOM 0 HA VAL A 30 2.346 -9.706 -4.273 1.00 0.39 H new ATOM 0 HB VAL A 30 3.073 -7.994 -1.859 1.00 0.47 H new ATOM 0 HG11 VAL A 30 0.927 -8.827 -0.985 1.00 0.56 H new ATOM 0 HG12 VAL A 30 0.721 -7.965 -2.529 1.00 0.56 H new ATOM 0 HG13 VAL A 30 0.675 -9.744 -2.490 1.00 0.56 H new ATOM 0 HG21 VAL A 30 3.024 -10.045 -0.507 1.00 0.57 H new ATOM 0 HG22 VAL A 30 2.854 -11.015 -1.990 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.338 -10.075 -1.707 1.00 0.57 H new ATOM 442 N LYS A 31 1.400 -7.563 -5.000 1.00 0.34 N ATOM 443 CA LYS A 31 0.874 -6.357 -5.630 1.00 0.33 C ATOM 444 C LYS A 31 0.076 -5.542 -4.609 1.00 0.33 C ATOM 445 O LYS A 31 -0.916 -6.020 -4.061 1.00 0.38 O ATOM 446 CB LYS A 31 0.003 -6.735 -6.841 1.00 0.38 C ATOM 447 CG LYS A 31 -1.006 -5.678 -7.257 1.00 0.60 C ATOM 448 CD LYS A 31 -2.261 -5.746 -6.397 1.00 0.82 C ATOM 449 CE LYS A 31 -3.521 -5.785 -7.248 1.00 1.34 C ATOM 450 NZ LYS A 31 -3.395 -6.742 -8.383 1.00 1.98 N ATOM 0 H LYS A 31 0.778 -8.369 -5.061 1.00 0.34 H new ATOM 0 HA LYS A 31 1.701 -5.742 -5.985 1.00 0.33 H new ATOM 0 HB2 LYS A 31 0.656 -6.947 -7.688 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.532 -7.657 -6.612 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -0.556 -4.689 -7.171 1.00 0.60 H new ATOM 0 HG3 LYS A 31 -1.272 -5.818 -8.305 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.221 -6.632 -5.764 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -2.296 -4.882 -5.734 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -4.370 -6.069 -6.626 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -3.729 -4.788 -7.635 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -4.320 -7.179 -8.573 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -3.071 -6.234 -9.231 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -2.707 -7.482 -8.138 1.00 1.98 H new ATOM 464 N PHE A 32 0.517 -4.311 -4.355 1.00 0.31 N ATOM 465 CA PHE A 32 -0.162 -3.444 -3.397 1.00 0.35 C ATOM 466 C PHE A 32 -0.687 -2.183 -4.076 1.00 0.32 C ATOM 467 O PHE A 32 0.079 -1.407 -4.647 1.00 0.32 O ATOM 468 CB PHE A 32 0.800 -3.065 -2.269 1.00 0.44 C ATOM 469 CG PHE A 32 0.127 -2.445 -1.080 1.00 0.90 C ATOM 470 CD1 PHE A 32 -0.948 -3.069 -0.470 1.00 1.64 C ATOM 471 CD2 PHE A 32 0.574 -1.237 -0.568 1.00 1.21 C ATOM 472 CE1 PHE A 32 -1.565 -2.500 0.627 1.00 2.28 C ATOM 473 CE2 PHE A 32 -0.039 -0.663 0.529 1.00 1.91 C ATOM 474 CZ PHE A 32 -1.111 -1.295 1.127 1.00 2.35 C ATOM 0 H PHE A 32 1.337 -3.895 -4.797 1.00 0.31 H new ATOM 0 HA PHE A 32 -1.011 -3.988 -2.984 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.336 -3.958 -1.946 1.00 0.44 H new ATOM 0 HB3 PHE A 32 1.544 -2.369 -2.657 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -1.308 -4.011 -0.856 1.00 1.64 H new ATOM 0 HD2 PHE A 32 1.412 -0.738 -1.032 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -2.402 -2.997 1.094 1.00 2.28 H new ATOM 0 HE2 PHE A 32 0.320 0.278 0.918 1.00 1.91 H new ATOM 0 HZ PHE A 32 -1.594 -0.848 1.984 1.00 2.35 H new ATOM 484 N ARG A 33 -2.004 -1.996 -4.025 1.00 0.36 N ATOM 485 CA ARG A 33 -2.630 -0.838 -4.653 1.00 0.39 C ATOM 486 C ARG A 33 -3.263 0.103 -3.631 1.00 0.40 C ATOM 487 O ARG A 33 -3.891 -0.330 -2.665 1.00 0.43 O ATOM 488 CB ARG A 33 -3.684 -1.284 -5.671 1.00 0.47 C ATOM 489 CG ARG A 33 -3.360 -2.597 -6.358 1.00 0.80 C ATOM 490 CD ARG A 33 -1.919 -2.629 -6.846 1.00 0.53 C ATOM 491 NE ARG A 33 -1.816 -3.132 -8.213 1.00 1.09 N ATOM 492 CZ ARG A 33 -0.703 -3.075 -8.939 1.00 1.56 C ATOM 493 NH1 ARG A 33 0.400 -2.543 -8.427 1.00 2.10 N ATOM 494 NH2 ARG A 33 -0.692 -3.552 -10.176 1.00 2.12 N ATOM 0 H ARG A 33 -2.654 -2.628 -3.558 1.00 0.36 H new ATOM 0 HA ARG A 33 -1.840 -0.288 -5.164 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.646 -1.377 -5.166 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -3.795 -0.507 -6.428 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -3.530 -3.422 -5.667 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -4.035 -2.744 -7.202 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.497 -1.625 -6.796 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -1.325 -3.258 -6.183 1.00 0.53 H new ATOM 0 HE ARG A 33 -2.645 -3.551 -8.635 1.00 1.09 H new ATOM 0 HH11 ARG A 33 0.395 -2.177 -7.475 1.00 2.10 H new ATOM 0 HH12 ARG A 33 1.252 -2.500 -8.986 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -1.538 -3.963 -10.572 1.00 2.12 H new ATOM 0 HH22 ARG A 33 0.162 -3.508 -10.732 1.00 2.12 H new ATOM 508 N CYS A 34 -3.094 1.396 -3.878 1.00 0.39 N ATOM 509 CA CYS A 34 -3.644 2.437 -3.016 1.00 0.41 C ATOM 510 C CYS A 34 -3.825 3.729 -3.807 1.00 0.41 C ATOM 511 O CYS A 34 -3.211 4.749 -3.499 1.00 0.47 O ATOM 512 CB CYS A 34 -2.732 2.677 -1.809 1.00 0.44 C ATOM 513 SG CYS A 34 -2.874 1.409 -0.506 1.00 0.94 S ATOM 0 H CYS A 34 -2.573 1.753 -4.679 1.00 0.39 H new ATOM 0 HA CYS A 34 -4.616 2.107 -2.650 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -1.698 2.717 -2.151 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -2.964 3.652 -1.380 1.00 0.44 H new ATOM 518 N PRO A 35 -4.672 3.695 -4.855 1.00 0.41 N ATOM 519 CA PRO A 35 -4.925 4.855 -5.705 1.00 0.44 C ATOM 520 C PRO A 35 -6.010 5.772 -5.149 1.00 0.34 C ATOM 521 O PRO A 35 -7.051 5.313 -4.683 1.00 0.34 O ATOM 522 CB PRO A 35 -5.382 4.213 -7.011 1.00 0.57 C ATOM 523 CG PRO A 35 -6.078 2.961 -6.594 1.00 0.54 C ATOM 524 CD PRO A 35 -5.436 2.513 -5.301 1.00 0.44 C ATOM 0 HA PRO A 35 -4.049 5.497 -5.799 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -6.051 4.873 -7.564 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -4.536 3.997 -7.664 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -7.144 3.140 -6.454 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -5.981 2.192 -7.360 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.184 2.220 -4.564 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -4.786 1.652 -5.455 1.00 0.44 H new ATOM 532 N ALA A 36 -5.754 7.074 -5.211 1.00 0.35 N ATOM 533 CA ALA A 36 -6.703 8.067 -4.722 1.00 0.33 C ATOM 534 C ALA A 36 -6.484 9.412 -5.409 1.00 0.32 C ATOM 535 O ALA A 36 -5.388 9.971 -5.364 1.00 0.38 O ATOM 536 CB ALA A 36 -6.582 8.207 -3.213 1.00 0.40 C ATOM 0 H ALA A 36 -4.895 7.467 -5.596 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.712 7.730 -4.961 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -7.295 8.951 -2.858 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.793 7.248 -2.740 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -5.571 8.523 -2.957 1.00 0.40 H new ATOM 542 N GLY A 37 -7.530 9.922 -6.052 1.00 0.33 N ATOM 543 CA GLY A 37 -7.430 11.193 -6.748 1.00 0.36 C ATOM 544 C GLY A 37 -7.442 12.385 -5.808 1.00 0.35 C ATOM 545 O GLY A 37 -8.312 12.496 -4.947 1.00 0.37 O ATOM 0 H GLY A 37 -8.446 9.477 -6.104 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -6.511 11.209 -7.335 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -8.258 11.283 -7.451 1.00 0.36 H new ATOM 549 N GLY A 38 -6.473 13.280 -5.979 1.00 0.36 N ATOM 550 CA GLY A 38 -6.389 14.460 -5.137 1.00 0.39 C ATOM 551 C GLY A 38 -5.269 15.390 -5.556 1.00 0.37 C ATOM 552 O GLY A 38 -5.058 15.620 -6.747 1.00 0.42 O ATOM 0 H GLY A 38 -5.743 13.208 -6.688 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -7.337 14.997 -5.174 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -6.236 14.154 -4.102 1.00 0.39 H new ATOM 556 N ASN A 39 -4.547 15.927 -4.577 1.00 0.40 N ATOM 557 CA ASN A 39 -3.441 16.835 -4.860 1.00 0.47 C ATOM 558 C ASN A 39 -2.179 16.056 -5.214 1.00 0.36 C ATOM 559 O ASN A 39 -2.144 14.830 -5.105 1.00 0.34 O ATOM 560 CB ASN A 39 -3.174 17.740 -3.659 1.00 0.70 C ATOM 561 CG ASN A 39 -3.464 19.200 -3.957 1.00 2.04 C ATOM 562 OD1 ASN A 39 -2.705 20.088 -3.569 1.00 2.41 O ATOM 563 ND2 ASN A 39 -4.570 19.453 -4.647 1.00 2.89 N ATOM 0 H ASN A 39 -4.707 15.750 -3.585 1.00 0.40 H new ATOM 0 HA ASN A 39 -3.720 17.452 -5.714 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -3.788 17.415 -2.819 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -2.133 17.635 -3.353 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -4.820 20.415 -4.876 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -5.170 18.685 -4.948 1.00 2.89 H new ATOM 570 N PRO A 40 -1.118 16.760 -5.641 1.00 0.39 N ATOM 571 CA PRO A 40 0.150 16.134 -6.011 1.00 0.39 C ATOM 572 C PRO A 40 1.037 15.837 -4.803 1.00 0.34 C ATOM 573 O PRO A 40 2.207 15.486 -4.959 1.00 0.40 O ATOM 574 CB PRO A 40 0.797 17.191 -6.902 1.00 0.51 C ATOM 575 CG PRO A 40 0.307 18.489 -6.356 1.00 0.52 C ATOM 576 CD PRO A 40 -1.073 18.228 -5.803 1.00 0.53 C ATOM 0 HA PRO A 40 0.007 15.166 -6.492 1.00 0.39 H new ATOM 0 HB2 PRO A 40 1.885 17.130 -6.865 1.00 0.51 H new ATOM 0 HB3 PRO A 40 0.506 17.064 -7.945 1.00 0.51 H new ATOM 0 HG2 PRO A 40 0.974 18.858 -5.577 1.00 0.52 H new ATOM 0 HG3 PRO A 40 0.275 19.250 -7.135 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -1.226 18.740 -4.853 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -1.849 18.579 -6.483 1.00 0.53 H new ATOM 584 N MET A 41 0.483 15.977 -3.600 1.00 0.31 N ATOM 585 CA MET A 41 1.239 15.720 -2.379 1.00 0.33 C ATOM 586 C MET A 41 0.560 14.662 -1.513 1.00 0.32 C ATOM 587 O MET A 41 -0.032 14.982 -0.483 1.00 0.36 O ATOM 588 CB MET A 41 1.385 17.013 -1.576 1.00 0.39 C ATOM 589 CG MET A 41 2.651 17.075 -0.737 1.00 0.47 C ATOM 590 SD MET A 41 2.848 15.639 0.335 1.00 1.30 S ATOM 591 CE MET A 41 4.004 14.658 -0.617 1.00 1.83 C ATOM 0 H MET A 41 -0.483 16.266 -3.446 1.00 0.31 H new ATOM 0 HA MET A 41 2.222 15.348 -2.668 1.00 0.33 H new ATOM 0 HB2 MET A 41 1.374 17.859 -2.263 1.00 0.39 H new ATOM 0 HB3 MET A 41 0.521 17.122 -0.921 1.00 0.39 H new ATOM 0 HG2 MET A 41 3.515 17.152 -1.397 1.00 0.47 H new ATOM 0 HG3 MET A 41 2.634 17.978 -0.127 1.00 0.47 H new ATOM 0 HE1 MET A 41 4.606 14.049 0.057 1.00 1.83 H new ATOM 0 HE2 MET A 41 3.455 14.009 -1.299 1.00 1.83 H new ATOM 0 HE3 MET A 41 4.655 15.318 -1.190 1.00 1.83 H new ATOM 601 N PRO A 42 0.635 13.384 -1.915 1.00 0.32 N ATOM 602 CA PRO A 42 0.033 12.287 -1.179 1.00 0.34 C ATOM 603 C PRO A 42 1.037 11.571 -0.279 1.00 0.35 C ATOM 604 O PRO A 42 2.063 11.080 -0.752 1.00 0.43 O ATOM 605 CB PRO A 42 -0.419 11.371 -2.310 1.00 0.40 C ATOM 606 CG PRO A 42 0.583 11.584 -3.410 1.00 0.42 C ATOM 607 CD PRO A 42 1.299 12.889 -3.126 1.00 0.36 C ATOM 0 HA PRO A 42 -0.760 12.609 -0.504 1.00 0.34 H new ATOM 0 HB2 PRO A 42 -0.438 10.329 -1.990 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -1.427 11.621 -2.641 1.00 0.40 H new ATOM 0 HG2 PRO A 42 1.293 10.757 -3.448 1.00 0.42 H new ATOM 0 HG3 PRO A 42 0.086 11.622 -4.379 1.00 0.42 H new ATOM 0 HD2 PRO A 42 2.366 12.735 -2.965 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.199 13.591 -3.954 1.00 0.36 H new ATOM 615 N THR A 43 0.734 11.502 1.013 1.00 0.32 N ATOM 616 CA THR A 43 1.614 10.833 1.964 1.00 0.35 C ATOM 617 C THR A 43 1.058 9.462 2.325 1.00 0.37 C ATOM 618 O THR A 43 0.079 9.355 3.060 1.00 0.48 O ATOM 619 CB THR A 43 1.793 11.661 3.249 1.00 0.41 C ATOM 620 OG1 THR A 43 1.883 13.054 2.927 1.00 0.94 O ATOM 621 CG2 THR A 43 3.044 11.231 4.002 1.00 1.00 C ATOM 0 H THR A 43 -0.111 11.899 1.424 1.00 0.32 H new ATOM 0 HA THR A 43 2.587 10.723 1.485 1.00 0.35 H new ATOM 0 HB THR A 43 0.926 11.490 3.887 1.00 0.41 H new ATOM 0 HG1 THR A 43 1.995 13.573 3.750 1.00 0.94 H new ATOM 0 HG21 THR A 43 3.149 11.831 4.906 1.00 1.00 H new ATOM 0 HG22 THR A 43 2.962 10.178 4.272 1.00 1.00 H new ATOM 0 HG23 THR A 43 3.918 11.376 3.367 1.00 1.00 H new ATOM 629 N MET A 44 1.675 8.414 1.792 1.00 0.35 N ATOM 630 CA MET A 44 1.217 7.055 2.052 1.00 0.41 C ATOM 631 C MET A 44 2.232 6.261 2.870 1.00 0.38 C ATOM 632 O MET A 44 3.430 6.270 2.582 1.00 0.40 O ATOM 633 CB MET A 44 0.928 6.336 0.734 1.00 0.49 C ATOM 634 CG MET A 44 2.057 6.447 -0.279 1.00 0.86 C ATOM 635 SD MET A 44 2.102 5.059 -1.427 1.00 1.82 S ATOM 636 CE MET A 44 2.857 5.828 -2.858 1.00 2.30 C ATOM 0 H MET A 44 2.489 8.478 1.181 1.00 0.35 H new ATOM 0 HA MET A 44 0.300 7.122 2.637 1.00 0.41 H new ATOM 0 HB2 MET A 44 0.737 5.283 0.939 1.00 0.49 H new ATOM 0 HB3 MET A 44 0.017 6.747 0.298 1.00 0.49 H new ATOM 0 HG2 MET A 44 1.945 7.374 -0.841 1.00 0.86 H new ATOM 0 HG3 MET A 44 3.009 6.507 0.249 1.00 0.86 H new ATOM 0 HE1 MET A 44 2.302 5.553 -3.755 1.00 2.30 H new ATOM 0 HE2 MET A 44 2.841 6.911 -2.740 1.00 2.30 H new ATOM 0 HE3 MET A 44 3.889 5.489 -2.952 1.00 2.30 H new ATOM 646 N ARG A 45 1.732 5.564 3.886 1.00 0.36 N ATOM 647 CA ARG A 45 2.572 4.744 4.752 1.00 0.34 C ATOM 648 C ARG A 45 2.241 3.270 4.553 1.00 0.32 C ATOM 649 O ARG A 45 1.078 2.908 4.364 1.00 0.34 O ATOM 650 CB ARG A 45 2.373 5.131 6.218 1.00 0.37 C ATOM 651 CG ARG A 45 2.867 6.530 6.551 1.00 0.66 C ATOM 652 CD ARG A 45 2.068 7.144 7.688 1.00 0.88 C ATOM 653 NE ARG A 45 2.839 8.140 8.424 1.00 1.57 N ATOM 654 CZ ARG A 45 2.340 8.873 9.414 1.00 2.04 C ATOM 655 NH1 ARG A 45 1.078 8.715 9.787 1.00 2.22 N ATOM 656 NH2 ARG A 45 3.104 9.761 10.036 1.00 2.89 N ATOM 0 H ARG A 45 0.742 5.551 4.131 1.00 0.36 H new ATOM 0 HA ARG A 45 3.615 4.916 4.487 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.313 5.061 6.463 1.00 0.37 H new ATOM 0 HB3 ARG A 45 2.894 4.411 6.849 1.00 0.37 H new ATOM 0 HG2 ARG A 45 3.921 6.490 6.825 1.00 0.66 H new ATOM 0 HG3 ARG A 45 2.792 7.164 5.668 1.00 0.66 H new ATOM 0 HD2 ARG A 45 1.166 7.607 7.288 1.00 0.88 H new ATOM 0 HD3 ARG A 45 1.747 6.358 8.371 1.00 0.88 H new ATOM 0 HE ARG A 45 3.815 8.282 8.164 1.00 1.57 H new ATOM 0 HH11 ARG A 45 0.488 8.030 9.314 1.00 2.22 H new ATOM 0 HH12 ARG A 45 0.696 9.278 10.547 1.00 2.22 H new ATOM 0 HH21 ARG A 45 4.077 9.883 9.755 1.00 2.89 H new ATOM 0 HH22 ARG A 45 2.719 10.322 10.795 1.00 2.89 H new ATOM 670 N TRP A 46 3.262 2.423 4.589 1.00 0.31 N ATOM 671 CA TRP A 46 3.055 0.993 4.401 1.00 0.31 C ATOM 672 C TRP A 46 3.199 0.231 5.712 1.00 0.26 C ATOM 673 O TRP A 46 4.269 0.221 6.332 1.00 0.29 O ATOM 674 CB TRP A 46 4.042 0.460 3.363 1.00 0.39 C ATOM 675 CG TRP A 46 4.191 1.365 2.178 1.00 0.70 C ATOM 676 CD1 TRP A 46 3.469 1.328 1.020 1.00 1.52 C ATOM 677 CD2 TRP A 46 5.121 2.445 2.037 1.00 1.34 C ATOM 678 NE1 TRP A 46 3.893 2.320 0.168 1.00 1.62 N ATOM 679 CE2 TRP A 46 4.905 3.019 0.770 1.00 1.46 C ATOM 680 CE3 TRP A 46 6.114 2.986 2.860 1.00 2.43 C ATOM 681 CZ2 TRP A 46 5.647 4.103 0.306 1.00 2.14 C ATOM 682 CZ3 TRP A 46 6.849 4.062 2.398 1.00 3.28 C ATOM 683 CH2 TRP A 46 6.612 4.610 1.132 1.00 3.02 C ATOM 0 H TRP A 46 4.232 2.697 4.745 1.00 0.31 H new ATOM 0 HA TRP A 46 2.037 0.840 4.043 1.00 0.31 H new ATOM 0 HB2 TRP A 46 5.016 0.322 3.833 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.710 -0.521 3.024 1.00 0.39 H new ATOM 0 HD1 TRP A 46 2.680 0.623 0.805 1.00 1.52 H new ATOM 0 HE1 TRP A 46 3.515 2.505 -0.761 1.00 1.62 H new ATOM 0 HE3 TRP A 46 6.303 2.571 3.839 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 5.467 4.528 -0.671 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 7.619 4.487 3.025 1.00 3.28 H new ATOM 0 HH2 TRP A 46 7.203 5.451 0.801 1.00 3.02 H new ATOM 694 N LEU A 47 2.108 -0.420 6.114 1.00 0.25 N ATOM 695 CA LEU A 47 2.079 -1.205 7.342 1.00 0.26 C ATOM 696 C LEU A 47 1.390 -2.544 7.102 1.00 0.24 C ATOM 697 O LEU A 47 0.284 -2.598 6.561 1.00 0.31 O ATOM 698 CB LEU A 47 1.352 -0.436 8.448 1.00 0.37 C ATOM 699 CG LEU A 47 2.253 0.412 9.345 1.00 0.80 C ATOM 700 CD1 LEU A 47 2.628 1.713 8.650 1.00 1.58 C ATOM 701 CD2 LEU A 47 1.567 0.695 10.674 1.00 1.53 C ATOM 0 H LEU A 47 1.227 -0.417 5.600 1.00 0.25 H new ATOM 0 HA LEU A 47 3.106 -1.389 7.656 1.00 0.26 H new ATOM 0 HB2 LEU A 47 0.607 0.214 7.989 1.00 0.37 H new ATOM 0 HB3 LEU A 47 0.812 -1.149 9.071 1.00 0.37 H new ATOM 0 HG LEU A 47 3.167 -0.148 9.541 1.00 0.80 H new ATOM 0 HD11 LEU A 47 3.270 2.303 9.304 1.00 1.58 H new ATOM 0 HD12 LEU A 47 3.159 1.491 7.725 1.00 1.58 H new ATOM 0 HD13 LEU A 47 1.724 2.278 8.423 1.00 1.58 H new ATOM 0 HD21 LEU A 47 2.223 1.300 11.300 1.00 1.53 H new ATOM 0 HD22 LEU A 47 0.637 1.234 10.496 1.00 1.53 H new ATOM 0 HD23 LEU A 47 1.350 -0.246 11.179 1.00 1.53 H new ATOM 713 N LYS A 48 2.050 -3.625 7.501 1.00 0.22 N ATOM 714 CA LYS A 48 1.506 -4.966 7.323 1.00 0.25 C ATOM 715 C LYS A 48 1.478 -5.727 8.647 1.00 0.26 C ATOM 716 O LYS A 48 2.524 -6.062 9.202 1.00 0.31 O ATOM 717 CB LYS A 48 2.318 -5.756 6.284 1.00 0.34 C ATOM 718 CG LYS A 48 3.701 -5.182 5.994 1.00 0.41 C ATOM 719 CD LYS A 48 4.618 -6.215 5.357 1.00 0.88 C ATOM 720 CE LYS A 48 3.963 -6.886 4.159 1.00 0.73 C ATOM 721 NZ LYS A 48 4.931 -7.115 3.051 1.00 1.37 N ATOM 0 H LYS A 48 2.965 -3.599 7.951 1.00 0.22 H new ATOM 0 HA LYS A 48 0.484 -4.859 6.961 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.430 -6.782 6.633 1.00 0.34 H new ATOM 0 HB3 LYS A 48 1.752 -5.796 5.353 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.606 -4.322 5.331 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.147 -4.822 6.921 1.00 0.41 H new ATOM 0 HD2 LYS A 48 5.545 -5.735 5.043 1.00 0.88 H new ATOM 0 HD3 LYS A 48 4.885 -6.970 6.096 1.00 0.88 H new ATOM 0 HE2 LYS A 48 3.533 -7.839 4.467 1.00 0.73 H new ATOM 0 HE3 LYS A 48 3.141 -6.266 3.800 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 4.561 -6.695 2.174 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 5.842 -6.673 3.289 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 5.067 -8.137 2.914 1.00 1.37 H new ATOM 735 N ASN A 49 0.276 -6.000 9.142 1.00 0.28 N ATOM 736 CA ASN A 49 0.110 -6.726 10.399 1.00 0.35 C ATOM 737 C ASN A 49 1.003 -6.153 11.497 1.00 0.39 C ATOM 738 O ASN A 49 1.385 -6.860 12.429 1.00 0.50 O ATOM 739 CB ASN A 49 0.419 -8.211 10.199 1.00 0.38 C ATOM 740 CG ASN A 49 -0.137 -9.072 11.317 1.00 0.75 C ATOM 741 OD1 ASN A 49 -1.350 -9.212 11.465 1.00 1.53 O ATOM 742 ND2 ASN A 49 0.754 -9.656 12.111 1.00 1.32 N ATOM 0 H ASN A 49 -0.599 -5.730 8.693 1.00 0.28 H new ATOM 0 HA ASN A 49 -0.928 -6.613 10.712 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.002 -8.541 9.248 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.498 -8.350 10.139 1.00 0.38 H new ATOM 0 HD21 ASN A 49 0.441 -10.248 12.880 1.00 1.32 H new ATOM 0 HD22 ASN A 49 1.751 -9.512 11.951 1.00 1.32 H new ATOM 749 N GLY A 50 1.332 -4.870 11.384 1.00 0.38 N ATOM 750 CA GLY A 50 2.175 -4.233 12.380 1.00 0.45 C ATOM 751 C GLY A 50 3.580 -3.949 11.875 1.00 0.48 C ATOM 752 O GLY A 50 4.350 -3.249 12.533 1.00 0.68 O ATOM 0 H GLY A 50 1.031 -4.261 10.623 1.00 0.38 H new ATOM 0 HA2 GLY A 50 1.712 -3.298 12.695 1.00 0.45 H new ATOM 0 HA3 GLY A 50 2.234 -4.872 13.261 1.00 0.45 H new ATOM 756 N LYS A 51 3.917 -4.491 10.707 1.00 0.36 N ATOM 757 CA LYS A 51 5.239 -4.288 10.126 1.00 0.39 C ATOM 758 C LYS A 51 5.230 -3.116 9.151 1.00 0.38 C ATOM 759 O LYS A 51 4.376 -3.031 8.274 1.00 0.39 O ATOM 760 CB LYS A 51 5.705 -5.556 9.407 1.00 0.42 C ATOM 761 CG LYS A 51 7.218 -5.706 9.346 1.00 0.53 C ATOM 762 CD LYS A 51 7.778 -5.201 8.024 1.00 0.75 C ATOM 763 CE LYS A 51 8.641 -6.254 7.340 1.00 0.82 C ATOM 764 NZ LYS A 51 7.950 -6.859 6.168 1.00 1.36 N ATOM 0 H LYS A 51 3.294 -5.072 10.147 1.00 0.36 H new ATOM 0 HA LYS A 51 5.932 -4.061 10.936 1.00 0.39 H new ATOM 0 HB2 LYS A 51 5.283 -6.425 9.912 1.00 0.42 H new ATOM 0 HB3 LYS A 51 5.308 -5.554 8.392 1.00 0.42 H new ATOM 0 HG2 LYS A 51 7.672 -5.154 10.169 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.486 -6.754 9.479 1.00 0.53 H new ATOM 0 HD2 LYS A 51 6.957 -4.919 7.365 1.00 0.75 H new ATOM 0 HD3 LYS A 51 8.370 -4.303 8.199 1.00 0.75 H new ATOM 0 HE2 LYS A 51 9.578 -5.801 7.016 1.00 0.82 H new ATOM 0 HE3 LYS A 51 8.896 -7.036 8.055 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 8.516 -7.650 5.802 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 7.015 -7.208 6.459 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 7.836 -6.141 5.424 1.00 1.36 H new ATOM 778 N GLU A 52 6.202 -2.228 9.293 1.00 0.38 N ATOM 779 CA GLU A 52 6.321 -1.075 8.409 1.00 0.39 C ATOM 780 C GLU A 52 7.492 -1.283 7.463 1.00 0.43 C ATOM 781 O GLU A 52 8.457 -1.962 7.811 1.00 0.49 O ATOM 782 CB GLU A 52 6.507 0.213 9.217 1.00 0.44 C ATOM 783 CG GLU A 52 5.564 0.329 10.403 1.00 1.03 C ATOM 784 CD GLU A 52 6.243 0.896 11.635 1.00 1.38 C ATOM 785 OE1 GLU A 52 6.847 0.111 12.394 1.00 1.90 O ATOM 786 OE2 GLU A 52 6.170 2.126 11.839 1.00 1.71 O ATOM 0 H GLU A 52 6.922 -2.283 10.013 1.00 0.38 H new ATOM 0 HA GLU A 52 5.403 -0.976 7.830 1.00 0.39 H new ATOM 0 HB2 GLU A 52 7.535 0.262 9.575 1.00 0.44 H new ATOM 0 HB3 GLU A 52 6.357 1.069 8.559 1.00 0.44 H new ATOM 0 HG2 GLU A 52 4.722 0.965 10.132 1.00 1.03 H new ATOM 0 HG3 GLU A 52 5.158 -0.655 10.637 1.00 1.03 H new ATOM 793 N PHE A 53 7.417 -0.715 6.264 1.00 0.43 N ATOM 794 CA PHE A 53 8.504 -0.882 5.303 1.00 0.50 C ATOM 795 C PHE A 53 9.037 0.468 4.811 1.00 0.56 C ATOM 796 O PHE A 53 8.311 1.259 4.208 1.00 0.70 O ATOM 797 CB PHE A 53 8.046 -1.793 4.138 1.00 0.57 C ATOM 798 CG PHE A 53 7.794 -1.100 2.819 1.00 1.46 C ATOM 799 CD1 PHE A 53 8.842 -0.559 2.090 1.00 1.99 C ATOM 800 CD2 PHE A 53 6.506 -0.988 2.319 1.00 2.42 C ATOM 801 CE1 PHE A 53 8.608 0.079 0.886 1.00 3.14 C ATOM 802 CE2 PHE A 53 6.268 -0.351 1.115 1.00 3.55 C ATOM 803 CZ PHE A 53 7.342 0.169 0.386 1.00 3.85 C ATOM 0 H PHE A 53 6.635 -0.147 5.938 1.00 0.43 H new ATOM 0 HA PHE A 53 9.339 -1.372 5.804 1.00 0.50 H new ATOM 0 HB2 PHE A 53 8.803 -2.562 3.984 1.00 0.57 H new ATOM 0 HB3 PHE A 53 7.131 -2.303 4.439 1.00 0.57 H new ATOM 0 HD1 PHE A 53 9.851 -0.637 2.466 1.00 1.99 H new ATOM 0 HD2 PHE A 53 5.679 -1.403 2.876 1.00 2.42 H new ATOM 0 HE1 PHE A 53 9.433 0.509 0.338 1.00 3.14 H new ATOM 0 HE2 PHE A 53 5.260 -0.256 0.740 1.00 3.55 H new ATOM 0 HZ PHE A 53 7.170 0.641 -0.570 1.00 3.85 H new ATOM 813 N LYS A 54 10.320 0.704 5.066 1.00 0.64 N ATOM 814 CA LYS A 54 10.987 1.933 4.648 1.00 0.77 C ATOM 815 C LYS A 54 12.494 1.679 4.527 1.00 1.29 C ATOM 816 O LYS A 54 12.935 1.002 3.590 1.00 1.12 O ATOM 817 CB LYS A 54 10.682 3.068 5.631 1.00 0.86 C ATOM 818 CG LYS A 54 9.293 3.658 5.464 1.00 1.43 C ATOM 819 CD LYS A 54 9.098 4.888 6.337 1.00 1.82 C ATOM 820 CE LYS A 54 9.862 6.082 5.790 1.00 2.44 C ATOM 821 NZ LYS A 54 11.157 6.285 6.498 1.00 3.19 N ATOM 0 H LYS A 54 10.925 0.052 5.566 1.00 0.64 H new ATOM 0 HA LYS A 54 10.611 2.240 3.672 1.00 0.77 H new ATOM 0 HB2 LYS A 54 10.789 2.694 6.649 1.00 0.86 H new ATOM 0 HB3 LYS A 54 11.422 3.858 5.502 1.00 0.86 H new ATOM 0 HG2 LYS A 54 9.133 3.924 4.419 1.00 1.43 H new ATOM 0 HG3 LYS A 54 8.545 2.907 5.720 1.00 1.43 H new ATOM 0 HD2 LYS A 54 8.037 5.129 6.397 1.00 1.82 H new ATOM 0 HD3 LYS A 54 9.433 4.673 7.352 1.00 1.82 H new ATOM 0 HE2 LYS A 54 10.049 5.937 4.726 1.00 2.44 H new ATOM 0 HE3 LYS A 54 9.251 6.979 5.887 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 11.066 7.075 7.168 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 11.409 5.419 7.016 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 11.901 6.503 5.805 1.00 3.19 H new ATOM 885 N ARG A 58 11.683 -3.996 1.368 1.00 1.00 N ATOM 886 CA ARG A 58 11.303 -5.396 1.218 1.00 0.92 C ATOM 887 C ARG A 58 12.237 -6.141 0.271 1.00 0.69 C ATOM 888 O ARG A 58 12.685 -5.609 -0.750 1.00 0.78 O ATOM 889 CB ARG A 58 9.856 -5.485 0.728 1.00 1.23 C ATOM 890 CG ARG A 58 8.945 -4.470 1.402 1.00 1.36 C ATOM 891 CD ARG A 58 7.482 -4.695 1.055 1.00 1.75 C ATOM 892 NE ARG A 58 6.610 -4.450 2.205 1.00 2.44 N ATOM 893 CZ ARG A 58 5.393 -3.906 2.132 1.00 3.22 C ATOM 894 NH1 ARG A 58 4.867 -3.561 0.963 1.00 3.53 N ATOM 895 NH2 ARG A 58 4.694 -3.706 3.240 1.00 3.98 N ATOM 0 HA ARG A 58 11.387 -5.876 2.193 1.00 0.92 H new ATOM 0 HB2 ARG A 58 9.832 -5.329 -0.351 1.00 1.23 H new ATOM 0 HB3 ARG A 58 9.475 -6.489 0.914 1.00 1.23 H new ATOM 0 HG2 ARG A 58 9.074 -4.529 2.483 1.00 1.36 H new ATOM 0 HG3 ARG A 58 9.238 -3.464 1.101 1.00 1.36 H new ATOM 0 HD2 ARG A 58 7.197 -4.036 0.235 1.00 1.75 H new ATOM 0 HD3 ARG A 58 7.344 -5.718 0.705 1.00 1.75 H new ATOM 0 HE ARG A 58 6.957 -4.714 3.127 1.00 2.44 H new ATOM 0 HH11 ARG A 58 5.394 -3.710 0.103 1.00 3.53 H new ATOM 0 HH12 ARG A 58 3.936 -3.147 0.925 1.00 3.53 H new ATOM 0 HH21 ARG A 58 5.086 -3.967 4.145 1.00 3.98 H new ATOM 0 HH22 ARG A 58 3.764 -3.291 3.188 1.00 3.98 H new ATOM 909 N ILE A 59 12.530 -7.384 0.639 1.00 0.67 N ATOM 910 CA ILE A 59 13.419 -8.236 -0.133 1.00 0.66 C ATOM 911 C ILE A 59 12.891 -8.471 -1.535 1.00 0.59 C ATOM 912 O ILE A 59 11.801 -9.013 -1.721 1.00 0.57 O ATOM 913 CB ILE A 59 13.623 -9.602 0.552 1.00 0.95 C ATOM 914 CG1 ILE A 59 13.842 -9.427 2.057 1.00 1.05 C ATOM 915 CG2 ILE A 59 14.797 -10.336 -0.077 1.00 1.16 C ATOM 916 CD1 ILE A 59 14.879 -8.379 2.400 1.00 1.64 C ATOM 0 H ILE A 59 12.157 -7.826 1.479 1.00 0.67 H new ATOM 0 HA ILE A 59 14.373 -7.712 -0.192 1.00 0.66 H new ATOM 0 HB ILE A 59 12.722 -10.198 0.408 1.00 0.95 H new ATOM 0 HG12 ILE A 59 12.895 -9.156 2.524 1.00 1.05 H new ATOM 0 HG13 ILE A 59 14.147 -10.382 2.485 1.00 1.05 H new ATOM 0 HG21 ILE A 59 14.930 -11.299 0.416 1.00 1.16 H new ATOM 0 HG22 ILE A 59 14.601 -10.495 -1.137 1.00 1.16 H new ATOM 0 HG23 ILE A 59 15.703 -9.741 0.039 1.00 1.16 H new ATOM 0 HD11 ILE A 59 14.981 -8.309 3.483 1.00 1.64 H new ATOM 0 HD12 ILE A 59 15.837 -8.658 1.962 1.00 1.64 H new ATOM 0 HD13 ILE A 59 14.566 -7.414 2.002 1.00 1.64 H new ATOM 928 N GLY A 60 13.678 -8.064 -2.520 1.00 0.70 N ATOM 929 CA GLY A 60 13.285 -8.240 -3.898 1.00 0.77 C ATOM 930 C GLY A 60 13.366 -6.960 -4.697 1.00 0.74 C ATOM 931 O GLY A 60 13.703 -6.989 -5.881 1.00 0.79 O ATOM 0 H GLY A 60 14.584 -7.614 -2.386 1.00 0.70 H new ATOM 0 HA2 GLY A 60 13.924 -8.993 -4.360 1.00 0.77 H new ATOM 0 HA3 GLY A 60 12.265 -8.622 -3.934 1.00 0.77 H new ATOM 935 N GLY A 61 13.049 -5.830 -4.068 1.00 0.70 N ATOM 936 CA GLY A 61 13.091 -4.565 -4.778 1.00 0.72 C ATOM 937 C GLY A 61 11.761 -3.840 -4.721 1.00 0.74 C ATOM 938 O GLY A 61 10.723 -4.409 -5.061 1.00 1.20 O ATOM 0 H GLY A 61 12.767 -5.769 -3.090 1.00 0.70 H new ATOM 0 HA2 GLY A 61 13.868 -3.933 -4.348 1.00 0.72 H new ATOM 0 HA3 GLY A 61 13.364 -4.742 -5.818 1.00 0.72 H new ATOM 942 N TYR A 62 11.783 -2.587 -4.280 1.00 0.69 N ATOM 943 CA TYR A 62 10.563 -1.796 -4.169 1.00 0.84 C ATOM 944 C TYR A 62 10.359 -0.915 -5.401 1.00 0.73 C ATOM 945 O TYR A 62 11.306 -0.338 -5.931 1.00 0.97 O ATOM 946 CB TYR A 62 10.605 -0.927 -2.911 1.00 1.36 C ATOM 947 CG TYR A 62 11.623 0.188 -2.974 1.00 1.92 C ATOM 948 CD1 TYR A 62 11.424 1.293 -3.793 1.00 2.43 C ATOM 949 CD2 TYR A 62 12.786 0.137 -2.213 1.00 2.32 C ATOM 950 CE1 TYR A 62 12.352 2.315 -3.852 1.00 3.07 C ATOM 951 CE2 TYR A 62 13.720 1.156 -2.267 1.00 3.05 C ATOM 952 CZ TYR A 62 13.498 2.241 -3.087 1.00 3.35 C ATOM 953 OH TYR A 62 14.424 3.257 -3.144 1.00 4.10 O ATOM 0 H TYR A 62 12.631 -2.098 -3.994 1.00 0.69 H new ATOM 0 HA TYR A 62 9.724 -2.488 -4.100 1.00 0.84 H new ATOM 0 HB2 TYR A 62 9.618 -0.496 -2.745 1.00 1.36 H new ATOM 0 HB3 TYR A 62 10.825 -1.559 -2.051 1.00 1.36 H new ATOM 0 HD1 TYR A 62 10.529 1.354 -4.394 1.00 2.43 H new ATOM 0 HD2 TYR A 62 12.963 -0.712 -1.569 1.00 2.32 H new ATOM 0 HE1 TYR A 62 12.181 3.167 -4.493 1.00 3.07 H new ATOM 0 HE2 TYR A 62 14.618 1.101 -1.670 1.00 3.05 H new ATOM 0 HH TYR A 62 15.172 3.052 -2.545 1.00 4.10 H new ATOM 963 N LYS A 63 9.107 -0.820 -5.846 1.00 0.66 N ATOM 964 CA LYS A 63 8.764 -0.011 -7.010 1.00 0.78 C ATOM 965 C LYS A 63 7.379 0.608 -6.848 1.00 0.67 C ATOM 966 O LYS A 63 6.480 -0.003 -6.267 1.00 0.54 O ATOM 967 CB LYS A 63 8.814 -0.858 -8.282 1.00 1.11 C ATOM 968 CG LYS A 63 9.842 -0.377 -9.293 1.00 1.28 C ATOM 969 CD LYS A 63 11.102 -1.230 -9.260 1.00 1.83 C ATOM 970 CE LYS A 63 12.339 -0.384 -9.009 1.00 2.36 C ATOM 971 NZ LYS A 63 12.956 0.091 -10.280 1.00 3.18 N ATOM 0 H LYS A 63 8.313 -1.295 -5.416 1.00 0.66 H new ATOM 0 HA LYS A 63 9.496 0.793 -7.093 1.00 0.78 H new ATOM 0 HB2 LYS A 63 9.037 -1.890 -8.013 1.00 1.11 H new ATOM 0 HB3 LYS A 63 7.829 -0.856 -8.749 1.00 1.11 H new ATOM 0 HG2 LYS A 63 9.410 -0.404 -10.293 1.00 1.28 H new ATOM 0 HG3 LYS A 63 10.099 0.662 -9.085 1.00 1.28 H new ATOM 0 HD2 LYS A 63 11.011 -1.985 -8.479 1.00 1.83 H new ATOM 0 HD3 LYS A 63 11.208 -1.761 -10.206 1.00 1.83 H new ATOM 0 HE2 LYS A 63 12.073 0.474 -8.392 1.00 2.36 H new ATOM 0 HE3 LYS A 63 13.069 -0.966 -8.447 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 13.797 0.664 -10.065 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 13.234 -0.728 -10.858 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 12.269 0.668 -10.805 1.00 3.18 H new ATOM 985 N VAL A 64 7.215 1.821 -7.363 1.00 0.81 N ATOM 986 CA VAL A 64 5.939 2.524 -7.274 1.00 0.77 C ATOM 987 C VAL A 64 5.586 3.204 -8.594 1.00 0.82 C ATOM 988 O VAL A 64 6.436 3.829 -9.229 1.00 0.89 O ATOM 989 CB VAL A 64 5.961 3.582 -6.156 1.00 0.85 C ATOM 990 CG1 VAL A 64 5.709 2.936 -4.802 1.00 1.49 C ATOM 991 CG2 VAL A 64 7.283 4.333 -6.158 1.00 1.71 C ATOM 0 H VAL A 64 7.949 2.339 -7.847 1.00 0.81 H new ATOM 0 HA VAL A 64 5.182 1.774 -7.044 1.00 0.77 H new ATOM 0 HB VAL A 64 5.162 4.299 -6.344 1.00 0.85 H new ATOM 0 HG11 VAL A 64 5.728 3.700 -4.025 1.00 1.49 H new ATOM 0 HG12 VAL A 64 4.734 2.449 -4.807 1.00 1.49 H new ATOM 0 HG13 VAL A 64 6.484 2.196 -4.602 1.00 1.49 H new ATOM 0 HG21 VAL A 64 7.280 5.077 -5.361 1.00 1.71 H new ATOM 0 HG22 VAL A 64 8.101 3.631 -5.996 1.00 1.71 H new ATOM 0 HG23 VAL A 64 7.417 4.831 -7.118 1.00 1.71 H new ATOM 1001 N ARG A 65 4.328 3.074 -9.003 1.00 0.82 N ATOM 1002 CA ARG A 65 3.858 3.672 -10.250 1.00 0.92 C ATOM 1003 C ARG A 65 3.670 5.178 -10.103 1.00 1.03 C ATOM 1004 O ARG A 65 2.810 5.631 -9.351 1.00 1.18 O ATOM 1005 CB ARG A 65 2.537 3.032 -10.677 1.00 0.96 C ATOM 1006 CG ARG A 65 2.337 2.987 -12.183 1.00 1.51 C ATOM 1007 CD ARG A 65 1.899 4.336 -12.729 1.00 2.02 C ATOM 1008 NE ARG A 65 2.793 4.815 -13.780 1.00 2.60 N ATOM 1009 CZ ARG A 65 2.761 4.371 -15.032 1.00 3.22 C ATOM 1010 NH1 ARG A 65 1.882 3.444 -15.390 1.00 3.52 N ATOM 1011 NH2 ARG A 65 3.610 4.854 -15.930 1.00 3.99 N ATOM 0 H ARG A 65 3.614 2.559 -8.489 1.00 0.82 H new ATOM 0 HA ARG A 65 4.615 3.490 -11.013 1.00 0.92 H new ATOM 0 HB2 ARG A 65 2.492 2.017 -10.283 1.00 0.96 H new ATOM 0 HB3 ARG A 65 1.713 3.586 -10.227 1.00 0.96 H new ATOM 0 HG2 ARG A 65 3.266 2.683 -12.665 1.00 1.51 H new ATOM 0 HG3 ARG A 65 1.589 2.234 -12.429 1.00 1.51 H new ATOM 0 HD2 ARG A 65 0.886 4.257 -13.123 1.00 2.02 H new ATOM 0 HD3 ARG A 65 1.870 5.064 -11.918 1.00 2.02 H new ATOM 0 HE ARG A 65 3.480 5.530 -13.540 1.00 2.60 H new ATOM 0 HH11 ARG A 65 1.227 3.069 -14.703 1.00 3.52 H new ATOM 0 HH12 ARG A 65 1.861 3.106 -16.352 1.00 3.52 H new ATOM 0 HH21 ARG A 65 4.288 5.567 -15.659 1.00 3.99 H new ATOM 0 HH22 ARG A 65 3.585 4.513 -16.891 1.00 3.99 H new ATOM 1025 N ASN A 66 4.474 5.945 -10.837 1.00 1.03 N ATOM 1026 CA ASN A 66 4.395 7.403 -10.801 1.00 1.16 C ATOM 1027 C ASN A 66 4.720 7.943 -9.410 1.00 1.03 C ATOM 1028 O ASN A 66 5.785 8.519 -9.191 1.00 1.79 O ATOM 1029 CB ASN A 66 3.003 7.868 -11.234 1.00 1.96 C ATOM 1030 CG ASN A 66 2.916 9.377 -11.368 1.00 2.83 C ATOM 1031 OD1 ASN A 66 3.540 9.970 -12.249 1.00 3.41 O ATOM 1032 ND2 ASN A 66 2.140 10.004 -10.492 1.00 3.48 N ATOM 0 H ASN A 66 5.189 5.579 -11.465 1.00 1.03 H new ATOM 0 HA ASN A 66 5.136 7.796 -11.497 1.00 1.16 H new ATOM 0 HB2 ASN A 66 2.748 7.405 -12.188 1.00 1.96 H new ATOM 0 HB3 ASN A 66 2.266 7.527 -10.507 1.00 1.96 H new ATOM 0 HD21 ASN A 66 2.042 11.018 -10.532 1.00 3.48 H new ATOM 0 HD22 ASN A 66 1.642 9.471 -9.779 1.00 3.48 H new ATOM 1039 N GLN A 67 3.795 7.753 -8.475 1.00 1.15 N ATOM 1040 CA GLN A 67 3.982 8.221 -7.106 1.00 1.99 C ATOM 1041 C GLN A 67 2.802 7.814 -6.227 1.00 1.73 C ATOM 1042 O GLN A 67 2.976 7.482 -5.055 1.00 2.55 O ATOM 1043 CB GLN A 67 4.151 9.741 -7.081 1.00 2.86 C ATOM 1044 CG GLN A 67 5.286 10.211 -6.186 1.00 3.88 C ATOM 1045 CD GLN A 67 4.941 11.477 -5.426 1.00 4.69 C ATOM 1046 OE1 GLN A 67 5.096 12.585 -5.938 1.00 5.12 O ATOM 1047 NE2 GLN A 67 4.470 11.317 -4.194 1.00 5.31 N ATOM 0 H GLN A 67 2.908 7.278 -8.640 1.00 1.15 H new ATOM 0 HA GLN A 67 4.885 7.757 -6.710 1.00 1.99 H new ATOM 0 HB2 GLN A 67 4.329 10.095 -8.096 1.00 2.86 H new ATOM 0 HB3 GLN A 67 3.220 10.196 -6.743 1.00 2.86 H new ATOM 0 HG2 GLN A 67 5.535 9.422 -5.477 1.00 3.88 H new ATOM 0 HG3 GLN A 67 6.174 10.386 -6.793 1.00 3.88 H new ATOM 0 HE21 GLN A 67 4.357 10.379 -3.809 1.00 5.31 H new ATOM 0 HE22 GLN A 67 4.221 12.132 -3.633 1.00 5.31 H new ATOM 1056 N HIS A 68 1.601 7.845 -6.800 1.00 0.89 N ATOM 1057 CA HIS A 68 0.396 7.481 -6.061 1.00 0.62 C ATOM 1058 C HIS A 68 -0.588 6.727 -6.953 1.00 0.68 C ATOM 1059 O HIS A 68 -1.256 7.320 -7.800 1.00 1.37 O ATOM 1060 CB HIS A 68 -0.271 8.734 -5.488 1.00 0.63 C ATOM 1061 CG HIS A 68 -0.200 9.919 -6.398 1.00 1.42 C ATOM 1062 ND1 HIS A 68 0.829 10.837 -6.359 1.00 2.23 N ATOM 1063 CD2 HIS A 68 -1.035 10.334 -7.379 1.00 2.22 C ATOM 1064 CE1 HIS A 68 0.623 11.765 -7.276 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -0.501 11.483 -7.908 1.00 2.83 N ATOM 0 H HIS A 68 1.437 8.117 -7.769 1.00 0.89 H new ATOM 0 HA HIS A 68 0.687 6.824 -5.242 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -1.317 8.513 -5.274 1.00 0.63 H new ATOM 0 HB3 HIS A 68 0.203 8.986 -4.539 1.00 0.63 H new ATOM 0 HD2 HIS A 68 -1.950 9.851 -7.688 1.00 2.22 H new ATOM 0 HE1 HIS A 68 1.265 12.611 -7.475 1.00 2.85 H new ATOM 0 HE2 HIS A 68 -0.907 12.030 -8.667 1.00 2.83 H new ATOM 1074 N TRP A 69 -0.673 5.417 -6.749 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.575 4.571 -7.524 1.00 0.45 C ATOM 1076 C TRP A 69 -1.331 3.099 -7.213 1.00 0.37 C ATOM 1077 O TRP A 69 -2.124 2.460 -6.519 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.400 4.827 -9.023 1.00 0.56 C ATOM 1079 CG TRP A 69 -2.687 5.148 -9.720 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -3.784 5.750 -9.178 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -3.011 4.882 -11.091 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -4.771 5.874 -10.125 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -4.321 5.349 -11.307 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -2.321 4.295 -12.157 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -4.954 5.247 -12.543 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -2.950 4.194 -13.382 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -4.256 4.669 -13.567 1.00 3.14 C ATOM 0 H TRP A 69 -0.125 4.915 -6.050 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.598 4.822 -7.244 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -0.701 5.652 -9.165 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -0.953 3.947 -9.486 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -3.865 6.081 -8.153 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -5.690 6.290 -9.973 1.00 1.72 H new ATOM 0 HE3 TRP A 69 -1.314 3.927 -12.024 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -5.960 5.611 -12.688 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -2.427 3.741 -14.212 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -4.720 4.577 -14.538 1.00 3.14 H new ATOM 1098 N SER A 70 -0.225 2.567 -7.721 1.00 0.35 N ATOM 1099 CA SER A 70 0.132 1.171 -7.489 1.00 0.33 C ATOM 1100 C SER A 70 1.609 1.050 -7.130 1.00 0.36 C ATOM 1101 O SER A 70 2.433 1.849 -7.572 1.00 0.39 O ATOM 1102 CB SER A 70 -0.176 0.323 -8.726 1.00 0.40 C ATOM 1103 OG SER A 70 -0.938 1.052 -9.670 1.00 1.02 O ATOM 0 H SER A 70 0.441 3.082 -8.297 1.00 0.35 H new ATOM 0 HA SER A 70 -0.464 0.802 -6.655 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.756 -0.008 -9.185 1.00 0.40 H new ATOM 0 HB3 SER A 70 -0.721 -0.573 -8.429 1.00 0.40 H new ATOM 0 HG SER A 70 -1.119 0.487 -10.450 1.00 1.02 H new ATOM 1109 N LEU A 71 1.938 0.036 -6.338 1.00 0.38 N ATOM 1110 CA LEU A 71 3.316 -0.205 -5.933 1.00 0.44 C ATOM 1111 C LEU A 71 3.595 -1.702 -5.876 1.00 0.44 C ATOM 1112 O LEU A 71 2.767 -2.473 -5.392 1.00 0.52 O ATOM 1113 CB LEU A 71 3.596 0.438 -4.573 1.00 0.51 C ATOM 1114 CG LEU A 71 2.796 -0.140 -3.406 1.00 0.63 C ATOM 1115 CD1 LEU A 71 3.697 -0.976 -2.510 1.00 0.98 C ATOM 1116 CD2 LEU A 71 2.131 0.973 -2.608 1.00 0.80 C ATOM 0 H LEU A 71 1.266 -0.634 -5.963 1.00 0.38 H new ATOM 0 HA LEU A 71 3.977 0.247 -6.672 1.00 0.44 H new ATOM 0 HB2 LEU A 71 4.658 0.335 -4.352 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.387 1.505 -4.643 1.00 0.51 H new ATOM 0 HG LEU A 71 2.014 -0.784 -3.809 1.00 0.63 H new ATOM 0 HD11 LEU A 71 3.113 -1.381 -1.683 1.00 0.98 H new ATOM 0 HD12 LEU A 71 4.125 -1.795 -3.087 1.00 0.98 H new ATOM 0 HD13 LEU A 71 4.499 -0.352 -2.116 1.00 0.98 H new ATOM 0 HD21 LEU A 71 1.566 0.541 -1.782 1.00 0.80 H new ATOM 0 HD22 LEU A 71 2.894 1.644 -2.214 1.00 0.80 H new ATOM 0 HD23 LEU A 71 1.456 1.532 -3.256 1.00 0.80 H new ATOM 1128 N ILE A 72 4.756 -2.115 -6.371 1.00 0.39 N ATOM 1129 CA ILE A 72 5.114 -3.527 -6.364 1.00 0.39 C ATOM 1130 C ILE A 72 6.145 -3.836 -5.285 1.00 0.36 C ATOM 1131 O ILE A 72 7.238 -3.268 -5.273 1.00 0.38 O ATOM 1132 CB ILE A 72 5.657 -3.987 -7.732 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.749 -5.518 -7.771 1.00 0.44 C ATOM 1134 CG2 ILE A 72 7.012 -3.344 -8.014 1.00 0.45 C ATOM 1135 CD1 ILE A 72 6.564 -6.058 -8.928 1.00 1.12 C ATOM 0 H ILE A 72 5.459 -1.498 -6.778 1.00 0.39 H new ATOM 0 HA ILE A 72 4.197 -4.075 -6.149 1.00 0.39 H new ATOM 0 HB ILE A 72 4.969 -3.666 -8.514 1.00 0.42 H new ATOM 0 HG12 ILE A 72 6.187 -5.869 -6.837 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.742 -5.931 -7.826 1.00 0.44 H new ATOM 0 HG21 ILE A 72 7.380 -3.680 -8.983 1.00 0.45 H new ATOM 0 HG22 ILE A 72 6.905 -2.259 -8.023 1.00 0.45 H new ATOM 0 HG23 ILE A 72 7.720 -3.633 -7.237 1.00 0.45 H new ATOM 0 HD11 ILE A 72 6.581 -7.147 -8.884 1.00 1.12 H new ATOM 0 HD12 ILE A 72 6.116 -5.739 -9.869 1.00 1.12 H new ATOM 0 HD13 ILE A 72 7.583 -5.677 -8.864 1.00 1.12 H new ATOM 1147 N MET A 73 5.793 -4.748 -4.386 1.00 0.36 N ATOM 1148 CA MET A 73 6.688 -5.142 -3.303 1.00 0.36 C ATOM 1149 C MET A 73 6.936 -6.646 -3.327 1.00 0.33 C ATOM 1150 O MET A 73 6.081 -7.420 -3.759 1.00 0.43 O ATOM 1151 CB MET A 73 6.105 -4.735 -1.950 1.00 0.43 C ATOM 1152 CG MET A 73 4.639 -5.096 -1.780 1.00 0.83 C ATOM 1153 SD MET A 73 4.343 -6.155 -0.351 1.00 1.86 S ATOM 1154 CE MET A 73 2.697 -5.632 0.124 1.00 2.56 C ATOM 0 H MET A 73 4.894 -5.229 -4.385 1.00 0.36 H new ATOM 0 HA MET A 73 7.638 -4.628 -3.448 1.00 0.36 H new ATOM 0 HB2 MET A 73 6.681 -5.213 -1.158 1.00 0.43 H new ATOM 0 HB3 MET A 73 6.221 -3.659 -1.824 1.00 0.43 H new ATOM 0 HG2 MET A 73 4.054 -4.182 -1.677 1.00 0.83 H new ATOM 0 HG3 MET A 73 4.287 -5.600 -2.680 1.00 0.83 H new ATOM 0 HE1 MET A 73 2.531 -5.865 1.176 1.00 2.56 H new ATOM 0 HE2 MET A 73 2.598 -4.557 -0.030 1.00 2.56 H new ATOM 0 HE3 MET A 73 1.959 -6.155 -0.484 1.00 2.56 H new ATOM 1164 N GLU A 74 8.112 -7.053 -2.862 1.00 0.33 N ATOM 1165 CA GLU A 74 8.474 -8.465 -2.833 1.00 0.31 C ATOM 1166 C GLU A 74 8.693 -8.954 -1.406 1.00 0.31 C ATOM 1167 O GLU A 74 9.609 -8.500 -0.720 1.00 0.37 O ATOM 1168 CB GLU A 74 9.741 -8.704 -3.648 1.00 0.37 C ATOM 1169 CG GLU A 74 10.198 -10.155 -3.643 1.00 0.41 C ATOM 1170 CD GLU A 74 9.872 -10.873 -4.937 1.00 0.89 C ATOM 1171 OE1 GLU A 74 10.692 -10.807 -5.877 1.00 1.12 O ATOM 1172 OE2 GLU A 74 8.793 -11.499 -5.015 1.00 1.52 O ATOM 0 H GLU A 74 8.830 -6.426 -2.500 1.00 0.33 H new ATOM 0 HA GLU A 74 7.646 -9.025 -3.268 1.00 0.31 H new ATOM 0 HB2 GLU A 74 9.567 -8.389 -4.677 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.541 -8.077 -3.254 1.00 0.37 H new ATOM 0 HG2 GLU A 74 11.274 -10.193 -3.472 1.00 0.41 H new ATOM 0 HG3 GLU A 74 9.725 -10.678 -2.812 1.00 0.41 H new ATOM 1179 N SER A 75 7.857 -9.888 -0.966 1.00 0.29 N ATOM 1180 CA SER A 75 7.976 -10.442 0.374 1.00 0.33 C ATOM 1181 C SER A 75 7.909 -11.964 0.339 1.00 0.33 C ATOM 1182 O SER A 75 6.825 -12.547 0.305 1.00 0.38 O ATOM 1183 CB SER A 75 6.874 -9.889 1.280 1.00 0.41 C ATOM 1184 OG SER A 75 5.846 -9.278 0.520 1.00 1.32 O ATOM 0 H SER A 75 7.092 -10.276 -1.518 1.00 0.29 H new ATOM 0 HA SER A 75 8.945 -10.148 0.777 1.00 0.33 H new ATOM 0 HB2 SER A 75 6.455 -10.696 1.882 1.00 0.41 H new ATOM 0 HB3 SER A 75 7.299 -9.162 1.973 1.00 0.41 H new ATOM 0 HG SER A 75 5.876 -8.307 0.650 1.00 1.32 H new ATOM 1190 N VAL A 76 9.074 -12.607 0.358 1.00 0.37 N ATOM 1191 CA VAL A 76 9.136 -14.067 0.337 1.00 0.41 C ATOM 1192 C VAL A 76 8.942 -14.625 1.741 1.00 0.43 C ATOM 1193 O VAL A 76 8.214 -15.598 1.938 1.00 0.46 O ATOM 1194 CB VAL A 76 10.470 -14.595 -0.240 1.00 0.48 C ATOM 1195 CG1 VAL A 76 10.414 -14.636 -1.760 1.00 1.54 C ATOM 1196 CG2 VAL A 76 11.650 -13.755 0.231 1.00 1.33 C ATOM 0 H VAL A 76 9.983 -12.144 0.388 1.00 0.37 H new ATOM 0 HA VAL A 76 8.332 -14.405 -0.316 1.00 0.41 H new ATOM 0 HB VAL A 76 10.616 -15.609 0.131 1.00 0.48 H new ATOM 0 HG11 VAL A 76 11.361 -15.010 -2.149 1.00 1.54 H new ATOM 0 HG12 VAL A 76 9.606 -15.295 -2.077 1.00 1.54 H new ATOM 0 HG13 VAL A 76 10.235 -13.632 -2.145 1.00 1.54 H new ATOM 0 HG21 VAL A 76 12.572 -14.153 -0.193 1.00 1.33 H new ATOM 0 HG22 VAL A 76 11.516 -12.724 -0.096 1.00 1.33 H new ATOM 0 HG23 VAL A 76 11.708 -13.786 1.319 1.00 1.33 H new ATOM 1206 N VAL A 77 9.594 -13.995 2.713 1.00 0.45 N ATOM 1207 CA VAL A 77 9.487 -14.421 4.105 1.00 0.49 C ATOM 1208 C VAL A 77 8.355 -13.681 4.818 1.00 0.45 C ATOM 1209 O VAL A 77 7.526 -14.298 5.484 1.00 0.47 O ATOM 1210 CB VAL A 77 10.804 -14.205 4.885 1.00 0.57 C ATOM 1211 CG1 VAL A 77 10.904 -15.190 6.037 1.00 0.80 C ATOM 1212 CG2 VAL A 77 12.014 -14.330 3.967 1.00 0.77 C ATOM 0 H VAL A 77 10.201 -13.189 2.563 1.00 0.45 H new ATOM 0 HA VAL A 77 9.271 -15.489 4.085 1.00 0.49 H new ATOM 0 HB VAL A 77 10.795 -13.193 5.290 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.837 -15.025 6.577 1.00 0.80 H new ATOM 0 HG12 VAL A 77 10.062 -15.044 6.714 1.00 0.80 H new ATOM 0 HG13 VAL A 77 10.885 -16.208 5.648 1.00 0.80 H new ATOM 0 HG21 VAL A 77 12.926 -14.173 4.543 1.00 0.77 H new ATOM 0 HG22 VAL A 77 12.032 -15.325 3.523 1.00 0.77 H new ATOM 0 HG23 VAL A 77 11.951 -13.581 3.178 1.00 0.77 H new ATOM 1222 N PRO A 78 8.298 -12.341 4.680 1.00 0.43 N ATOM 1223 CA PRO A 78 7.251 -11.528 5.312 1.00 0.41 C ATOM 1224 C PRO A 78 5.850 -11.980 4.915 1.00 0.35 C ATOM 1225 O PRO A 78 4.871 -11.658 5.588 1.00 0.34 O ATOM 1226 CB PRO A 78 7.522 -10.114 4.788 1.00 0.42 C ATOM 1227 CG PRO A 78 8.954 -10.123 4.384 1.00 0.48 C ATOM 1228 CD PRO A 78 9.237 -11.516 3.901 1.00 0.46 C ATOM 0 HA PRO A 78 7.282 -11.605 6.399 1.00 0.41 H new ATOM 0 HB2 PRO A 78 6.875 -9.875 3.944 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.333 -9.365 5.557 1.00 0.42 H new ATOM 0 HG2 PRO A 78 9.143 -9.391 3.598 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.598 -9.862 5.224 1.00 0.48 H new ATOM 0 HD2 PRO A 78 9.064 -11.613 2.829 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.272 -11.803 4.084 1.00 0.46 H new ATOM 1236 N SER A 79 5.760 -12.729 3.818 1.00 0.34 N ATOM 1237 CA SER A 79 4.474 -13.222 3.338 1.00 0.34 C ATOM 1238 C SER A 79 3.730 -13.955 4.449 1.00 0.38 C ATOM 1239 O SER A 79 2.504 -14.065 4.418 1.00 0.39 O ATOM 1240 CB SER A 79 4.678 -14.155 2.143 1.00 0.39 C ATOM 1241 OG SER A 79 3.498 -14.249 1.361 1.00 1.13 O ATOM 0 H SER A 79 6.559 -13.006 3.248 1.00 0.34 H new ATOM 0 HA SER A 79 3.875 -12.367 3.024 1.00 0.34 H new ATOM 0 HB2 SER A 79 5.498 -13.787 1.526 1.00 0.39 H new ATOM 0 HB3 SER A 79 4.964 -15.146 2.496 1.00 0.39 H new ATOM 0 HG SER A 79 3.655 -14.850 0.603 1.00 1.13 H new ATOM 1247 N ASP A 80 4.475 -14.447 5.436 1.00 0.43 N ATOM 1248 CA ASP A 80 3.878 -15.160 6.558 1.00 0.50 C ATOM 1249 C ASP A 80 2.731 -14.353 7.157 1.00 0.42 C ATOM 1250 O ASP A 80 1.783 -14.915 7.704 1.00 0.47 O ATOM 1251 CB ASP A 80 4.931 -15.446 7.631 1.00 0.62 C ATOM 1252 CG ASP A 80 5.880 -16.558 7.226 1.00 1.27 C ATOM 1253 OD1 ASP A 80 5.401 -17.683 6.972 1.00 2.02 O ATOM 1254 OD2 ASP A 80 7.100 -16.302 7.165 1.00 1.69 O ATOM 0 H ASP A 80 5.491 -14.364 5.480 1.00 0.43 H new ATOM 0 HA ASP A 80 3.484 -16.107 6.189 1.00 0.50 H new ATOM 0 HB2 ASP A 80 5.502 -14.538 7.828 1.00 0.62 H new ATOM 0 HB3 ASP A 80 4.433 -15.718 8.562 1.00 0.62 H new ATOM 1259 N LYS A 81 2.822 -13.030 7.044 1.00 0.38 N ATOM 1260 CA LYS A 81 1.786 -12.152 7.569 1.00 0.33 C ATOM 1261 C LYS A 81 0.929 -11.594 6.437 1.00 0.26 C ATOM 1262 O LYS A 81 1.389 -10.779 5.637 1.00 0.27 O ATOM 1263 CB LYS A 81 2.414 -11.002 8.359 1.00 0.40 C ATOM 1264 CG LYS A 81 3.629 -10.390 7.679 1.00 0.91 C ATOM 1265 CD LYS A 81 3.987 -9.039 8.279 1.00 1.02 C ATOM 1266 CE LYS A 81 5.369 -8.583 7.841 1.00 0.87 C ATOM 1267 NZ LYS A 81 6.444 -9.195 8.669 1.00 1.23 N ATOM 0 H LYS A 81 3.600 -12.547 6.595 1.00 0.38 H new ATOM 0 HA LYS A 81 1.150 -12.736 8.234 1.00 0.33 H new ATOM 0 HB2 LYS A 81 1.664 -10.226 8.513 1.00 0.40 H new ATOM 0 HB3 LYS A 81 2.704 -11.365 9.345 1.00 0.40 H new ATOM 0 HG2 LYS A 81 4.478 -11.067 7.773 1.00 0.91 H new ATOM 0 HG3 LYS A 81 3.430 -10.274 6.614 1.00 0.91 H new ATOM 0 HD2 LYS A 81 3.246 -8.298 7.978 1.00 1.02 H new ATOM 0 HD3 LYS A 81 3.951 -9.102 9.367 1.00 1.02 H new ATOM 0 HE2 LYS A 81 5.523 -8.846 6.794 1.00 0.87 H new ATOM 0 HE3 LYS A 81 5.432 -7.497 7.910 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 7.371 -8.859 8.338 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 6.312 -8.924 9.664 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 6.401 -10.231 8.584 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.316 -12.049 6.373 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.220 -11.598 5.333 1.00 0.24 C ATOM 1283 C GLY A 82 -2.162 -10.506 5.802 1.00 0.28 C ATOM 1284 O GLY A 82 -3.376 -10.596 5.617 1.00 0.53 O ATOM 0 H GLY A 82 -0.716 -12.724 7.025 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.638 -11.231 4.487 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.804 -12.445 4.974 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.592 -9.457 6.379 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.367 -8.314 6.846 1.00 0.28 C ATOM 1290 C ASN A 83 -1.808 -7.035 6.235 1.00 0.30 C ATOM 1291 O ASN A 83 -0.687 -6.637 6.547 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.339 -8.228 8.373 1.00 0.40 C ATOM 1293 CG ASN A 83 -3.702 -7.907 8.957 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -4.720 -8.433 8.509 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -3.725 -7.039 9.961 1.00 0.96 N ATOM 0 H ASN A 83 -0.588 -9.373 6.536 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.403 -8.440 6.533 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -1.985 -9.175 8.781 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.626 -7.462 8.679 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -4.613 -6.783 10.394 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -2.855 -6.628 10.300 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.571 -6.398 5.352 1.00 0.33 N ATOM 1303 CA TYR A 84 -2.101 -5.177 4.705 1.00 0.40 C ATOM 1304 C TYR A 84 -2.872 -3.951 5.181 1.00 0.35 C ATOM 1305 O TYR A 84 -4.104 -3.936 5.180 1.00 0.44 O ATOM 1306 CB TYR A 84 -2.207 -5.309 3.185 1.00 0.57 C ATOM 1307 CG TYR A 84 -1.201 -6.268 2.569 1.00 1.17 C ATOM 1308 CD1 TYR A 84 -0.226 -6.891 3.341 1.00 1.96 C ATOM 1309 CD2 TYR A 84 -1.230 -6.544 1.208 1.00 1.74 C ATOM 1310 CE1 TYR A 84 0.687 -7.760 2.775 1.00 2.76 C ATOM 1311 CE2 TYR A 84 -0.321 -7.412 0.635 1.00 2.46 C ATOM 1312 CZ TYR A 84 0.635 -8.017 1.422 1.00 2.86 C ATOM 1313 OH TYR A 84 1.544 -8.881 0.854 1.00 3.72 O ATOM 0 H TYR A 84 -3.504 -6.701 5.071 1.00 0.33 H new ATOM 0 HA TYR A 84 -1.056 -5.039 4.983 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -3.213 -5.643 2.930 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -2.075 -4.324 2.736 1.00 0.57 H new ATOM 0 HD1 TYR A 84 -0.182 -6.692 4.402 1.00 1.96 H new ATOM 0 HD2 TYR A 84 -1.977 -6.072 0.587 1.00 1.74 H new ATOM 0 HE1 TYR A 84 1.437 -8.235 3.389 1.00 2.76 H new ATOM 0 HE2 TYR A 84 -0.359 -7.616 -0.425 1.00 2.46 H new ATOM 0 HH TYR A 84 1.138 -9.768 0.760 1.00 3.72 H new ATOM 1323 N THR A 85 -2.130 -2.920 5.583 1.00 0.32 N ATOM 1324 CA THR A 85 -2.729 -1.680 6.059 1.00 0.33 C ATOM 1325 C THR A 85 -2.192 -0.476 5.286 1.00 0.29 C ATOM 1326 O THR A 85 -0.989 -0.215 5.285 1.00 0.31 O ATOM 1327 CB THR A 85 -2.463 -1.470 7.562 1.00 0.45 C ATOM 1328 OG1 THR A 85 -2.946 -2.593 8.308 1.00 1.14 O ATOM 1329 CG2 THR A 85 -3.135 -0.199 8.060 1.00 1.00 C ATOM 0 H THR A 85 -1.110 -2.922 5.587 1.00 0.32 H new ATOM 0 HA THR A 85 -3.803 -1.764 5.895 1.00 0.33 H new ATOM 0 HB THR A 85 -1.387 -1.374 7.706 1.00 0.45 H new ATOM 0 HG1 THR A 85 -2.771 -2.452 9.262 1.00 1.14 H new ATOM 0 HG21 THR A 85 -2.932 -0.073 9.124 1.00 1.00 H new ATOM 0 HG22 THR A 85 -2.744 0.658 7.512 1.00 1.00 H new ATOM 0 HG23 THR A 85 -4.211 -0.270 7.902 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.090 0.254 4.630 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.705 1.430 3.854 1.00 0.30 C ATOM 1339 C CYS A 86 -3.059 2.712 4.601 1.00 0.30 C ATOM 1340 O CYS A 86 -4.226 3.101 4.667 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.396 1.421 2.488 1.00 0.36 C ATOM 1342 SG CYS A 86 -2.566 2.437 1.221 1.00 0.65 S ATOM 0 H CYS A 86 -4.090 0.052 4.620 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.625 1.396 3.707 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -3.456 0.393 2.131 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.419 1.776 2.609 1.00 0.36 H new ATOM 1347 N VAL A 87 -2.046 3.371 5.154 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.255 4.614 5.887 1.00 0.30 C ATOM 1349 C VAL A 87 -1.764 5.806 5.079 1.00 0.31 C ATOM 1350 O VAL A 87 -0.559 6.022 4.946 1.00 0.30 O ATOM 1351 CB VAL A 87 -1.534 4.597 7.249 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -1.865 5.849 8.046 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -1.901 3.345 8.032 1.00 0.97 C ATOM 0 H VAL A 87 -1.074 3.066 5.109 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.327 4.706 6.059 1.00 0.30 H new ATOM 0 HB VAL A 87 -0.459 4.584 7.069 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -1.346 5.818 9.004 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -1.546 6.730 7.489 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -2.940 5.898 8.217 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -1.382 3.350 8.991 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -2.978 3.325 8.202 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -1.606 2.462 7.465 1.00 0.97 H new ATOM 1363 N VAL A 88 -2.699 6.573 4.528 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.347 7.734 3.726 1.00 0.33 C ATOM 1365 C VAL A 88 -2.723 9.036 4.420 1.00 0.30 C ATOM 1366 O VAL A 88 -3.900 9.319 4.640 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.033 7.694 2.347 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -2.336 6.700 1.430 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -4.507 7.354 2.493 1.00 1.50 C ATOM 0 H VAL A 88 -3.702 6.411 4.623 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.265 7.698 3.596 1.00 0.33 H new ATOM 0 HB VAL A 88 -2.956 8.683 1.896 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -2.835 6.687 0.461 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -1.295 6.995 1.298 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -2.377 5.705 1.873 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -4.974 7.330 1.508 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -4.610 6.378 2.967 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -4.995 8.109 3.108 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.710 9.825 4.763 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.930 11.097 5.432 1.00 0.32 C ATOM 1381 C GLU A 89 -1.818 12.250 4.446 1.00 0.31 C ATOM 1382 O GLU A 89 -1.116 12.156 3.436 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.929 11.283 6.573 1.00 0.37 C ATOM 1384 CG GLU A 89 -1.489 12.073 7.745 1.00 0.43 C ATOM 1385 CD GLU A 89 -0.607 13.244 8.133 1.00 0.83 C ATOM 1386 OE1 GLU A 89 -0.714 14.307 7.487 1.00 1.46 O ATOM 1387 OE2 GLU A 89 0.191 13.098 9.082 1.00 1.33 O ATOM 0 H GLU A 89 -0.730 9.604 4.588 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.938 11.092 5.847 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.606 10.304 6.926 1.00 0.37 H new ATOM 0 HB3 GLU A 89 -0.044 11.792 6.191 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -2.483 12.440 7.489 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -1.605 11.410 8.603 1.00 0.43 H new ATOM 1394 N ASN A 90 -2.499 13.347 4.757 1.00 0.33 N ATOM 1395 CA ASN A 90 -2.470 14.539 3.921 1.00 0.36 C ATOM 1396 C ASN A 90 -2.492 15.781 4.802 1.00 0.43 C ATOM 1397 O ASN A 90 -2.587 15.678 6.026 1.00 0.39 O ATOM 1398 CB ASN A 90 -3.652 14.561 2.940 1.00 0.37 C ATOM 1399 CG ASN A 90 -4.855 13.777 3.438 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -4.911 12.554 3.303 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -5.824 14.475 4.017 1.00 0.86 N ATOM 0 H ASN A 90 -3.082 13.434 5.589 1.00 0.33 H new ATOM 0 HA ASN A 90 -1.552 14.526 3.334 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -3.948 15.594 2.761 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -3.330 14.151 1.983 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -6.654 13.999 4.370 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -5.738 15.487 4.109 1.00 0.86 H new ATOM 1408 N GLU A 91 -2.427 16.950 4.184 1.00 0.57 N ATOM 1409 CA GLU A 91 -2.462 18.202 4.932 1.00 0.66 C ATOM 1410 C GLU A 91 -3.841 18.421 5.564 1.00 0.68 C ATOM 1411 O GLU A 91 -3.996 19.262 6.450 1.00 0.75 O ATOM 1412 CB GLU A 91 -2.100 19.376 4.010 1.00 0.76 C ATOM 1413 CG GLU A 91 -2.442 20.748 4.579 1.00 1.15 C ATOM 1414 CD GLU A 91 -1.758 21.876 3.834 1.00 1.72 C ATOM 1415 OE1 GLU A 91 -2.323 22.350 2.826 1.00 2.34 O ATOM 1416 OE2 GLU A 91 -0.655 22.285 4.256 1.00 2.24 O ATOM 0 H GLU A 91 -2.350 17.061 3.173 1.00 0.57 H new ATOM 0 HA GLU A 91 -1.728 18.146 5.736 1.00 0.66 H new ATOM 0 HB2 GLU A 91 -1.032 19.340 3.797 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -2.619 19.250 3.060 1.00 0.76 H new ATOM 0 HG2 GLU A 91 -3.521 20.894 4.540 1.00 1.15 H new ATOM 0 HG3 GLU A 91 -2.153 20.784 5.629 1.00 1.15 H new ATOM 1423 N TYR A 92 -4.843 17.680 5.089 1.00 0.64 N ATOM 1424 CA TYR A 92 -6.204 17.823 5.598 1.00 0.68 C ATOM 1425 C TYR A 92 -6.647 16.631 6.451 1.00 0.60 C ATOM 1426 O TYR A 92 -7.763 16.626 6.970 1.00 0.63 O ATOM 1427 CB TYR A 92 -7.176 18.010 4.433 1.00 0.75 C ATOM 1428 CG TYR A 92 -8.152 19.147 4.629 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -9.019 19.164 5.716 1.00 1.54 C ATOM 1430 CD2 TYR A 92 -8.208 20.204 3.729 1.00 1.64 C ATOM 1431 CE1 TYR A 92 -9.912 20.202 5.899 1.00 2.05 C ATOM 1432 CE2 TYR A 92 -9.100 21.246 3.907 1.00 2.10 C ATOM 1433 CZ TYR A 92 -9.950 21.238 4.988 1.00 2.19 C ATOM 1434 OH TYR A 92 -10.836 22.275 5.174 1.00 2.77 O ATOM 0 H TYR A 92 -4.737 16.978 4.356 1.00 0.64 H new ATOM 0 HA TYR A 92 -6.212 18.702 6.243 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -6.606 18.186 3.521 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -7.734 17.086 4.286 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -8.994 18.353 6.429 1.00 1.54 H new ATOM 0 HD2 TYR A 92 -7.544 20.212 2.877 1.00 1.64 H new ATOM 0 HE1 TYR A 92 -10.577 20.203 6.750 1.00 2.05 H new ATOM 0 HE2 TYR A 92 -9.129 22.062 3.200 1.00 2.10 H new ATOM 0 HH TYR A 92 -10.737 22.924 4.447 1.00 2.77 H new ATOM 1444 N GLY A 93 -5.791 15.620 6.601 1.00 0.52 N ATOM 1445 CA GLY A 93 -6.177 14.467 7.405 1.00 0.47 C ATOM 1446 C GLY A 93 -5.475 13.180 7.008 1.00 0.40 C ATOM 1447 O GLY A 93 -4.755 13.135 6.014 1.00 0.40 O ATOM 0 H GLY A 93 -4.858 15.576 6.191 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -5.963 14.678 8.453 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -7.254 14.323 7.323 1.00 0.47 H new ATOM 1451 N SER A 94 -5.695 12.130 7.797 1.00 0.38 N ATOM 1452 CA SER A 94 -5.091 10.828 7.532 1.00 0.34 C ATOM 1453 C SER A 94 -6.144 9.728 7.541 1.00 0.34 C ATOM 1454 O SER A 94 -7.023 9.704 8.401 1.00 0.38 O ATOM 1455 CB SER A 94 -4.006 10.520 8.566 1.00 0.35 C ATOM 1456 OG SER A 94 -4.545 9.844 9.688 1.00 1.04 O ATOM 0 H SER A 94 -6.288 12.157 8.626 1.00 0.38 H new ATOM 0 HA SER A 94 -4.637 10.864 6.542 1.00 0.34 H new ATOM 0 HB2 SER A 94 -3.228 9.909 8.109 1.00 0.35 H new ATOM 0 HB3 SER A 94 -3.534 11.448 8.889 1.00 0.35 H new ATOM 0 HG SER A 94 -3.830 9.658 10.332 1.00 1.04 H new ATOM 1462 N ILE A 95 -6.058 8.824 6.569 1.00 0.32 N ATOM 1463 CA ILE A 95 -7.010 7.726 6.452 1.00 0.34 C ATOM 1464 C ILE A 95 -6.301 6.379 6.542 1.00 0.31 C ATOM 1465 O ILE A 95 -5.110 6.274 6.246 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.811 7.787 5.125 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.722 9.182 4.480 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -9.263 7.399 5.374 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.701 9.399 3.345 1.00 0.47 C ATOM 0 H ILE A 95 -5.336 8.832 5.849 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.708 7.831 7.283 1.00 0.34 H new ATOM 0 HB ILE A 95 -7.370 7.075 4.427 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.897 9.937 5.246 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.709 9.335 4.107 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.818 7.445 4.437 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -9.306 6.385 5.772 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.706 8.089 6.092 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.576 10.405 2.944 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.514 8.668 2.558 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.719 9.280 3.715 1.00 0.47 H new ATOM 1481 N ASN A 96 -7.036 5.351 6.953 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.470 4.008 7.082 1.00 0.34 C ATOM 1483 C ASN A 96 -7.308 2.978 6.325 1.00 0.34 C ATOM 1484 O ASN A 96 -8.538 3.043 6.324 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.371 3.615 8.557 1.00 0.38 C ATOM 1486 CG ASN A 96 -7.728 3.483 9.213 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -8.228 2.376 9.419 1.00 2.04 O ATOM 1488 ND2 ASN A 96 -8.339 4.616 9.544 1.00 1.12 N ATOM 0 H ASN A 96 -8.023 5.419 7.203 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.471 4.023 6.645 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -5.836 2.669 8.643 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.784 4.363 9.090 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -9.258 4.590 9.987 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -7.889 5.512 9.356 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.632 2.023 5.690 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.308 0.970 4.936 1.00 0.34 C ATOM 1497 C HIS A 97 -6.689 -0.397 5.222 1.00 0.33 C ATOM 1498 O HIS A 97 -5.469 -0.543 5.218 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.243 1.263 3.435 1.00 0.36 C ATOM 1500 CG HIS A 97 -7.610 2.671 3.081 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -8.763 3.284 3.523 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -6.968 3.586 2.317 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -8.815 4.514 3.047 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -7.736 4.723 2.312 1.00 0.85 N ATOM 0 H HIS A 97 -5.614 1.957 5.683 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.351 0.950 5.254 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.234 1.059 3.077 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -7.911 0.580 2.911 1.00 0.36 H new ATOM 0 HD2 HIS A 97 -6.027 3.447 1.806 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -9.605 5.228 3.227 1.00 1.06 H new ATOM 0 HE2 HIS A 97 -7.511 5.588 1.821 1.00 0.85 H new ATOM 1513 N THR A 98 -7.534 -1.397 5.460 1.00 0.35 N ATOM 1514 CA THR A 98 -7.058 -2.751 5.736 1.00 0.35 C ATOM 1515 C THR A 98 -7.457 -3.709 4.614 1.00 0.35 C ATOM 1516 O THR A 98 -8.499 -3.534 3.983 1.00 0.36 O ATOM 1517 CB THR A 98 -7.613 -3.282 7.070 1.00 0.38 C ATOM 1518 OG1 THR A 98 -7.565 -2.252 8.066 1.00 1.33 O ATOM 1519 CG2 THR A 98 -6.818 -4.488 7.544 1.00 1.36 C ATOM 0 H THR A 98 -8.549 -1.296 5.467 1.00 0.35 H new ATOM 0 HA THR A 98 -5.971 -2.699 5.801 1.00 0.35 H new ATOM 0 HB THR A 98 -8.648 -3.587 6.912 1.00 0.38 H new ATOM 0 HG1 THR A 98 -7.921 -2.597 8.911 1.00 1.33 H new ATOM 0 HG21 THR A 98 -7.228 -4.846 8.488 1.00 1.36 H new ATOM 0 HG22 THR A 98 -6.879 -5.280 6.798 1.00 1.36 H new ATOM 0 HG23 THR A 98 -5.775 -4.204 7.686 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.621 -4.716 4.363 1.00 0.39 N ATOM 1528 CA TYR A 99 -6.899 -5.685 3.304 1.00 0.42 C ATOM 1529 C TYR A 99 -6.603 -7.115 3.750 1.00 0.42 C ATOM 1530 O TYR A 99 -5.587 -7.380 4.398 1.00 0.45 O ATOM 1531 CB TYR A 99 -6.087 -5.348 2.057 1.00 0.53 C ATOM 1532 CG TYR A 99 -5.932 -3.863 1.823 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -7.036 -3.069 1.555 1.00 0.73 C ATOM 1534 CD2 TYR A 99 -4.684 -3.256 1.876 1.00 0.85 C ATOM 1535 CE1 TYR A 99 -6.906 -1.711 1.343 1.00 0.81 C ATOM 1536 CE2 TYR A 99 -4.543 -1.897 1.666 1.00 0.96 C ATOM 1537 CZ TYR A 99 -5.640 -1.132 1.388 1.00 0.81 C ATOM 1538 OH TYR A 99 -5.522 0.224 1.190 1.00 0.96 O ATOM 0 H TYR A 99 -5.753 -4.881 4.873 1.00 0.39 H new ATOM 0 HA TYR A 99 -7.962 -5.624 3.073 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -5.099 -5.799 2.143 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -6.568 -5.797 1.188 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -8.016 -3.521 1.511 1.00 0.73 H new ATOM 0 HD2 TYR A 99 -3.810 -3.855 2.085 1.00 0.85 H new ATOM 0 HE1 TYR A 99 -7.777 -1.104 1.144 1.00 0.81 H new ATOM 0 HE2 TYR A 99 -3.566 -1.440 1.722 1.00 0.96 H new ATOM 0 HH TYR A 99 -4.798 0.400 0.554 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.510 -8.028 3.406 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.360 -9.431 3.781 1.00 0.44 C ATOM 1550 C HIS A 100 -6.533 -10.218 2.762 1.00 0.42 C ATOM 1551 O HIS A 100 -7.020 -10.606 1.686 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.724 -10.090 3.967 1.00 0.53 C ATOM 1553 CG HIS A 100 -9.748 -9.185 4.580 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -10.701 -8.518 3.841 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -9.964 -8.839 5.871 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -11.461 -7.799 4.651 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -11.034 -7.978 5.886 1.00 1.70 N ATOM 0 H HIS A 100 -8.353 -7.821 2.870 1.00 0.41 H new ATOM 0 HA HIS A 100 -6.821 -9.449 4.728 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.088 -10.433 2.998 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.609 -10.973 4.595 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -9.401 -9.177 6.728 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -12.289 -7.173 4.352 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -11.434 -7.546 6.719 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.281 -10.471 3.143 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.344 -11.226 2.321 1.00 0.45 C ATOM 1568 C LEU A 101 -3.961 -12.523 3.029 1.00 0.48 C ATOM 1569 O LEU A 101 -3.815 -12.548 4.249 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.089 -10.395 2.049 1.00 0.51 C ATOM 1571 CG LEU A 101 -3.315 -9.138 1.212 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -4.012 -9.484 -0.094 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -4.125 -8.117 1.996 1.00 1.63 C ATOM 0 H LEU A 101 -4.891 -10.157 4.031 1.00 0.44 H new ATOM 0 HA LEU A 101 -4.823 -11.463 1.371 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -2.651 -10.104 3.004 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -2.358 -11.024 1.542 1.00 0.51 H new ATOM 0 HG LEU A 101 -2.345 -8.701 0.977 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -4.164 -8.576 -0.677 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -3.395 -10.180 -0.662 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -4.977 -9.944 0.119 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -4.277 -7.227 1.385 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -5.092 -8.545 2.261 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -3.587 -7.846 2.905 1.00 1.63 H new ATOM 1585 N ASP A 102 -3.809 -13.599 2.267 1.00 0.50 N ATOM 1586 CA ASP A 102 -3.445 -14.891 2.843 1.00 0.57 C ATOM 1587 C ASP A 102 -2.406 -15.609 1.985 1.00 0.54 C ATOM 1588 O ASP A 102 -2.635 -15.871 0.804 1.00 0.53 O ATOM 1589 CB ASP A 102 -4.686 -15.771 3.013 1.00 0.65 C ATOM 1590 CG ASP A 102 -4.956 -16.114 4.464 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -5.558 -15.278 5.170 1.00 2.34 O ATOM 1592 OD2 ASP A 102 -4.568 -17.221 4.896 1.00 1.38 O ATOM 0 H ASP A 102 -3.931 -13.605 1.254 1.00 0.50 H new ATOM 0 HA ASP A 102 -3.005 -14.705 3.823 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -5.552 -15.257 2.597 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -4.557 -16.691 2.443 1.00 0.65 H new ATOM 1597 N VAL A 103 -1.269 -15.931 2.592 1.00 0.63 N ATOM 1598 CA VAL A 103 -0.198 -16.629 1.890 1.00 0.68 C ATOM 1599 C VAL A 103 -0.486 -18.126 1.815 1.00 0.66 C ATOM 1600 O VAL A 103 -0.754 -18.767 2.829 1.00 0.75 O ATOM 1601 CB VAL A 103 1.165 -16.409 2.578 1.00 0.89 C ATOM 1602 CG1 VAL A 103 1.106 -16.831 4.037 1.00 1.56 C ATOM 1603 CG2 VAL A 103 2.265 -17.160 1.843 1.00 1.60 C ATOM 0 H VAL A 103 -1.065 -15.720 3.569 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.153 -16.216 0.882 1.00 0.68 H new ATOM 0 HB VAL A 103 1.397 -15.345 2.542 1.00 0.89 H new ATOM 0 HG11 VAL A 103 2.078 -16.667 4.503 1.00 1.56 H new ATOM 0 HG12 VAL A 103 0.351 -16.241 4.556 1.00 1.56 H new ATOM 0 HG13 VAL A 103 0.847 -17.888 4.100 1.00 1.56 H new ATOM 0 HG21 VAL A 103 3.218 -16.992 2.344 1.00 1.60 H new ATOM 0 HG22 VAL A 103 2.039 -18.226 1.842 1.00 1.60 H new ATOM 0 HG23 VAL A 103 2.327 -16.801 0.816 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.432 -18.674 0.606 1.00 0.66 N ATOM 1614 CA VAL A 104 -0.693 -20.093 0.401 1.00 0.73 C ATOM 1615 C VAL A 104 0.382 -20.732 -0.471 1.00 0.83 C ATOM 1616 O VAL A 104 0.901 -20.105 -1.397 1.00 0.84 O ATOM 1617 CB VAL A 104 -2.070 -20.322 -0.251 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -3.186 -19.906 0.695 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -2.168 -19.568 -1.568 1.00 1.27 C ATOM 0 H VAL A 104 -0.210 -18.158 -0.245 1.00 0.66 H new ATOM 0 HA VAL A 104 -0.682 -20.561 1.385 1.00 0.73 H new ATOM 0 HB VAL A 104 -2.181 -21.386 -0.459 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -4.151 -20.075 0.216 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -3.126 -20.496 1.610 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -3.082 -18.848 0.938 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -3.147 -19.741 -2.014 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -2.035 -18.501 -1.387 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -1.392 -19.920 -2.248 1.00 1.27 H new