USER MOD reduce.3.24.130724 H: found=0, std=0, add=1177, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1170 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 93 TYR OH : rot 175:sc= -0.892! USER MOD Set 1.2: A 123 LYS NZ :NH3+ -147:sc= -0.696! (180deg=-0.842) USER MOD Set 2.1: A 81 TYR OH : rot 180:sc= -0.0412 USER MOD Set 2.2: A 112 GLN : amide:sc= 0.12 K(o=0.079,f=-1.1) USER MOD Set 3.1: A 38 THR OG1 : rot 180:sc=-0.00982 USER MOD Set 3.2: A 41 SER OG : rot 87:sc= 1.31 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0859 (180deg=-0.681) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= -0.107 (180deg=-0.691) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.315 F(o=-2.6!,f=-0.32) USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 31 SER OG : rot 67:sc= 1.05 USER MOD Single : A 36 THR OG1 : rot 83:sc= 0.0578 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.561 F(o=-4.1!,f=-0.56) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= 0.191 (180deg=0.0773) USER MOD Single : A 52 SER OG : rot -62:sc= 0.202 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 155:sc= -0.217 (180deg=-1.15) USER MOD Single : A 66 THR OG1 : rot 80:sc= 1.14 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 160:sc= -2.17 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 87 CYS SG : rot 82:sc= -0.152 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 173:sc= -1.09 (180deg=-1.37) USER MOD Single : A 94 SER OG : rot 180:sc= -0.199 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= -0.0323 (180deg=-0.414) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 75:sc= 0.144 USER MOD Single : A 106 HIS : no HD1:sc= -0.679 X(o=-0.68,f=-0.76) USER MOD Single : A 109 ASN :FLIP amide:sc= -0.193 F(o=-3!,f=-0.19) USER MOD Single : A 110 ASN : amide:sc= -1.27 K(o=-1.3,f=-3.3!) USER MOD Single : A 111 LYS NZ :NH3+ 161:sc= -0.0634 (180deg=-0.573) USER MOD Single : A 117 LYS NZ :NH3+ 155:sc= -0.221 (180deg=-0.998) USER MOD Single : A 118 SER OG : rot -52:sc= 0.959 USER MOD Single : A 119 MET CE :methyl 180:sc= -0.228 (180deg=-0.228) USER MOD Single : A 125 GLN :FLIP amide:sc= -0.158 F(o=-1.1!,f=-0.16) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 THR OG1 : rot 59:sc= 0.798 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 140 HIS : no HD1:sc= -0.406 X(o=-0.41,f=-0.36) USER MOD Single : A 141 HIS : no HD1:sc= -0.641 K(o=-0.64,f=-3.1!) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 144 HIS :FLIP no HD1:sc= -1.81 F(o=-2.7,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.259 5.963 -5.749 1.00 9.55 N ATOM 2 CA MET A 1 22.614 7.251 -5.088 1.00 8.99 C ATOM 3 C MET A 1 22.793 8.337 -6.151 1.00 8.11 C ATOM 4 O MET A 1 22.213 9.401 -6.068 1.00 8.07 O ATOM 5 CB MET A 1 23.917 7.080 -4.305 1.00 9.53 C ATOM 6 CG MET A 1 23.753 5.954 -3.283 1.00 9.86 C ATOM 7 SD MET A 1 25.276 5.789 -2.317 1.00 10.51 S ATOM 8 CE MET A 1 24.810 6.887 -0.955 1.00 11.01 C ATOM 0 H1 MET A 1 21.814 5.328 -5.056 1.00 9.55 H new ATOM 0 H2 MET A 1 21.595 6.144 -6.529 1.00 9.55 H new ATOM 0 H3 MET A 1 23.120 5.517 -6.124 1.00 9.55 H new ATOM 0 HA MET A 1 21.816 7.542 -4.404 1.00 8.99 H new ATOM 0 HB2 MET A 1 24.736 6.851 -4.987 1.00 9.53 H new ATOM 0 HB3 MET A 1 24.175 8.010 -3.799 1.00 9.53 H new ATOM 0 HG2 MET A 1 22.912 6.167 -2.623 1.00 9.86 H new ATOM 0 HG3 MET A 1 23.529 5.016 -3.792 1.00 9.86 H new ATOM 0 HE1 MET A 1 25.622 6.932 -0.230 1.00 11.01 H new ATOM 0 HE2 MET A 1 24.615 7.886 -1.344 1.00 11.01 H new ATOM 0 HE3 MET A 1 23.912 6.505 -0.470 1.00 11.01 H new ATOM 20 N THR A 2 23.591 8.077 -7.151 1.00 7.65 N ATOM 21 CA THR A 2 23.802 9.096 -8.218 1.00 6.99 C ATOM 22 C THR A 2 22.464 9.415 -8.886 1.00 6.39 C ATOM 23 O THR A 2 22.256 10.498 -9.397 1.00 6.45 O ATOM 24 CB THR A 2 24.778 8.550 -9.264 1.00 7.19 C ATOM 25 OG1 THR A 2 24.622 9.275 -10.476 1.00 7.73 O ATOM 26 CG2 THR A 2 24.489 7.069 -9.514 1.00 7.47 C ATOM 0 H THR A 2 24.105 7.205 -7.275 1.00 7.65 H new ATOM 0 HA THR A 2 24.216 10.003 -7.777 1.00 6.99 H new ATOM 0 HB THR A 2 25.800 8.661 -8.900 1.00 7.19 H new ATOM 0 HG1 THR A 2 25.247 8.929 -11.147 1.00 7.73 H new ATOM 0 HG21 THR A 2 25.185 6.683 -10.259 1.00 7.47 H new ATOM 0 HG22 THR A 2 24.608 6.513 -8.584 1.00 7.47 H new ATOM 0 HG23 THR A 2 23.468 6.954 -9.878 1.00 7.47 H new ATOM 34 N LYS A 3 21.554 8.480 -8.886 1.00 6.19 N ATOM 35 CA LYS A 3 20.229 8.729 -9.520 1.00 6.01 C ATOM 36 C LYS A 3 19.514 9.855 -8.767 1.00 5.30 C ATOM 37 O LYS A 3 19.727 10.053 -7.587 1.00 5.35 O ATOM 38 CB LYS A 3 19.387 7.444 -9.460 1.00 6.71 C ATOM 39 CG LYS A 3 18.264 7.490 -10.517 1.00 7.63 C ATOM 40 CD LYS A 3 18.777 6.947 -11.856 1.00 8.30 C ATOM 41 CE LYS A 3 17.657 7.007 -12.896 1.00 9.15 C ATOM 42 NZ LYS A 3 18.115 6.357 -14.157 1.00 9.76 N ATOM 0 H LYS A 3 21.671 7.554 -8.474 1.00 6.19 H new ATOM 0 HA LYS A 3 20.365 9.021 -10.561 1.00 6.01 H new ATOM 0 HB2 LYS A 3 20.023 6.576 -9.633 1.00 6.71 H new ATOM 0 HB3 LYS A 3 18.955 7.330 -8.466 1.00 6.71 H new ATOM 0 HG2 LYS A 3 17.412 6.900 -10.179 1.00 7.63 H new ATOM 0 HG3 LYS A 3 17.913 8.514 -10.642 1.00 7.63 H new ATOM 0 HD2 LYS A 3 19.632 7.532 -12.194 1.00 8.30 H new ATOM 0 HD3 LYS A 3 19.121 5.920 -11.736 1.00 8.30 H new ATOM 0 HE2 LYS A 3 16.767 6.504 -12.517 1.00 9.15 H new ATOM 0 HE3 LYS A 3 17.380 8.043 -13.088 1.00 9.15 H new ATOM 0 HZ1 LYS A 3 17.354 6.397 -14.865 1.00 9.76 H new ATOM 0 HZ2 LYS A 3 18.952 6.855 -14.520 1.00 9.76 H new ATOM 0 HZ3 LYS A 3 18.359 5.364 -13.967 1.00 9.76 H new ATOM 56 N VAL A 4 18.664 10.591 -9.442 1.00 4.99 N ATOM 57 CA VAL A 4 17.922 11.710 -8.777 1.00 4.62 C ATOM 58 C VAL A 4 16.444 11.335 -8.655 1.00 3.72 C ATOM 59 O VAL A 4 15.567 12.155 -8.840 1.00 3.85 O ATOM 60 CB VAL A 4 18.058 12.979 -9.621 1.00 5.40 C ATOM 61 CG1 VAL A 4 19.492 13.502 -9.525 1.00 5.99 C ATOM 62 CG2 VAL A 4 17.731 12.659 -11.082 1.00 5.96 C ATOM 0 H VAL A 4 18.451 10.464 -10.431 1.00 4.99 H new ATOM 0 HA VAL A 4 18.336 11.886 -7.784 1.00 4.62 H new ATOM 0 HB VAL A 4 17.367 13.737 -9.251 1.00 5.40 H new ATOM 0 HG11 VAL A 4 19.591 14.406 -10.126 1.00 5.99 H new ATOM 0 HG12 VAL A 4 19.727 13.730 -8.485 1.00 5.99 H new ATOM 0 HG13 VAL A 4 20.182 12.743 -9.895 1.00 5.99 H new ATOM 0 HG21 VAL A 4 17.828 13.563 -11.683 1.00 5.96 H new ATOM 0 HG22 VAL A 4 18.422 11.902 -11.452 1.00 5.96 H new ATOM 0 HG23 VAL A 4 16.710 12.284 -11.153 1.00 5.96 H new ATOM 72 N ASP A 5 16.161 10.099 -8.343 1.00 3.31 N ATOM 73 CA ASP A 5 14.741 9.670 -8.207 1.00 2.92 C ATOM 74 C ASP A 5 14.183 10.183 -6.877 1.00 2.11 C ATOM 75 O ASP A 5 14.233 9.507 -5.869 1.00 2.43 O ATOM 76 CB ASP A 5 14.665 8.142 -8.239 1.00 3.73 C ATOM 77 CG ASP A 5 15.733 7.558 -7.312 1.00 4.37 C ATOM 78 OD1 ASP A 5 16.230 8.294 -6.475 1.00 4.87 O ATOM 79 OD2 ASP A 5 16.035 6.384 -7.453 1.00 4.78 O ATOM 0 H ASP A 5 16.853 9.368 -8.177 1.00 3.31 H new ATOM 0 HA ASP A 5 14.155 10.078 -9.030 1.00 2.92 H new ATOM 0 HB2 ASP A 5 13.675 7.810 -7.925 1.00 3.73 H new ATOM 0 HB3 ASP A 5 14.815 7.781 -9.257 1.00 3.73 H new ATOM 84 N PHE A 6 13.654 11.377 -6.867 1.00 1.65 N ATOM 85 CA PHE A 6 13.096 11.938 -5.604 1.00 1.63 C ATOM 86 C PHE A 6 11.892 11.107 -5.160 1.00 1.38 C ATOM 87 O PHE A 6 10.790 11.291 -5.637 1.00 1.88 O ATOM 88 CB PHE A 6 12.659 13.384 -5.838 1.00 2.27 C ATOM 89 CG PHE A 6 13.852 14.200 -6.277 1.00 2.46 C ATOM 90 CD1 PHE A 6 14.819 14.580 -5.340 1.00 2.80 C ATOM 91 CD2 PHE A 6 13.992 14.573 -7.619 1.00 3.07 C ATOM 92 CE1 PHE A 6 15.927 15.334 -5.744 1.00 3.39 C ATOM 93 CE2 PHE A 6 15.100 15.327 -8.023 1.00 3.67 C ATOM 94 CZ PHE A 6 16.068 15.708 -7.086 1.00 3.70 C ATOM 0 H PHE A 6 13.584 11.988 -7.680 1.00 1.65 H new ATOM 0 HA PHE A 6 13.860 11.910 -4.827 1.00 1.63 H new ATOM 0 HB2 PHE A 6 11.878 13.422 -6.598 1.00 2.27 H new ATOM 0 HB3 PHE A 6 12.235 13.801 -4.924 1.00 2.27 H new ATOM 0 HD1 PHE A 6 14.711 14.292 -4.305 1.00 2.80 H new ATOM 0 HD2 PHE A 6 13.246 14.279 -8.342 1.00 3.07 H new ATOM 0 HE1 PHE A 6 16.673 15.627 -5.021 1.00 3.39 H new ATOM 0 HE2 PHE A 6 15.208 15.615 -9.058 1.00 3.67 H new ATOM 0 HZ PHE A 6 16.923 16.290 -7.398 1.00 3.70 H new ATOM 104 N TRP A 7 12.096 10.199 -4.243 1.00 1.09 N ATOM 105 CA TRP A 7 10.974 9.344 -3.750 1.00 0.88 C ATOM 106 C TRP A 7 10.402 8.537 -4.943 1.00 0.73 C ATOM 107 O TRP A 7 10.395 9.026 -6.054 1.00 0.71 O ATOM 108 CB TRP A 7 9.869 10.245 -3.126 1.00 0.91 C ATOM 109 CG TRP A 7 9.819 10.102 -1.628 1.00 0.90 C ATOM 110 CD1 TRP A 7 10.889 9.938 -0.811 1.00 1.12 C ATOM 111 CD2 TRP A 7 8.647 10.128 -0.762 1.00 0.83 C ATOM 112 NE1 TRP A 7 10.443 9.845 0.496 1.00 1.12 N ATOM 113 CE2 TRP A 7 9.070 9.961 0.578 1.00 0.95 C ATOM 114 CE3 TRP A 7 7.270 10.275 -1.008 1.00 0.89 C ATOM 115 CZ2 TRP A 7 8.159 9.940 1.635 1.00 1.04 C ATOM 116 CZ3 TRP A 7 6.351 10.257 0.054 1.00 1.09 C ATOM 117 CH2 TRP A 7 6.795 10.090 1.372 1.00 1.12 C ATOM 0 H TRP A 7 13.000 10.011 -3.810 1.00 1.09 H new ATOM 0 HA TRP A 7 11.333 8.655 -2.986 1.00 0.88 H new ATOM 0 HB2 TRP A 7 10.057 11.286 -3.387 1.00 0.91 H new ATOM 0 HB3 TRP A 7 8.900 9.980 -3.550 1.00 0.91 H new ATOM 0 HD1 TRP A 7 11.920 9.888 -1.128 1.00 1.12 H new ATOM 0 HE1 TRP A 7 11.055 9.707 1.301 1.00 1.12 H new ATOM 0 HE3 TRP A 7 6.917 10.403 -2.021 1.00 0.89 H new ATOM 0 HZ2 TRP A 7 8.506 9.809 2.649 1.00 1.04 H new ATOM 0 HZ3 TRP A 7 5.296 10.373 -0.147 1.00 1.09 H new ATOM 0 HH2 TRP A 7 6.083 10.077 2.184 1.00 1.12 H new ATOM 128 N PRO A 8 9.927 7.328 -4.695 1.00 0.67 N ATOM 129 CA PRO A 8 9.354 6.500 -5.774 1.00 0.58 C ATOM 130 C PRO A 8 8.145 7.211 -6.402 1.00 0.52 C ATOM 131 O PRO A 8 7.714 8.251 -5.944 1.00 0.58 O ATOM 132 CB PRO A 8 8.922 5.184 -5.081 1.00 0.62 C ATOM 133 CG PRO A 8 9.163 5.361 -3.554 1.00 0.71 C ATOM 134 CD PRO A 8 9.917 6.691 -3.357 1.00 0.75 C ATOM 0 HA PRO A 8 10.064 6.318 -6.581 1.00 0.58 H new ATOM 0 HB2 PRO A 8 7.872 4.971 -5.282 1.00 0.62 H new ATOM 0 HB3 PRO A 8 9.497 4.341 -5.465 1.00 0.62 H new ATOM 0 HG2 PRO A 8 8.216 5.373 -3.015 1.00 0.71 H new ATOM 0 HG3 PRO A 8 9.744 4.528 -3.158 1.00 0.71 H new ATOM 0 HD2 PRO A 8 9.417 7.323 -2.623 1.00 0.75 H new ATOM 0 HD3 PRO A 8 10.930 6.520 -2.994 1.00 0.75 H new ATOM 142 N THR A 9 7.586 6.629 -7.433 1.00 0.48 N ATOM 143 CA THR A 9 6.384 7.217 -8.106 1.00 0.46 C ATOM 144 C THR A 9 5.296 6.144 -8.110 1.00 0.43 C ATOM 145 O THR A 9 5.584 4.969 -8.051 1.00 0.44 O ATOM 146 CB THR A 9 6.745 7.606 -9.556 1.00 0.47 C ATOM 147 OG1 THR A 9 7.868 6.845 -9.976 1.00 0.72 O ATOM 148 CG2 THR A 9 7.088 9.095 -9.633 1.00 0.73 C ATOM 0 H THR A 9 7.917 5.756 -7.845 1.00 0.48 H new ATOM 0 HA THR A 9 6.040 8.110 -7.584 1.00 0.46 H new ATOM 0 HB THR A 9 5.892 7.404 -10.204 1.00 0.47 H new ATOM 0 HG1 THR A 9 8.101 7.086 -10.897 1.00 0.72 H new ATOM 0 HG21 THR A 9 7.341 9.357 -10.660 1.00 0.73 H new ATOM 0 HG22 THR A 9 6.230 9.683 -9.309 1.00 0.73 H new ATOM 0 HG23 THR A 9 7.938 9.306 -8.985 1.00 0.73 H new ATOM 156 N LEU A 10 4.052 6.518 -8.179 1.00 0.41 N ATOM 157 CA LEU A 10 3.000 5.469 -8.179 1.00 0.40 C ATOM 158 C LEU A 10 3.198 4.597 -9.414 1.00 0.39 C ATOM 159 O LEU A 10 2.876 3.425 -9.409 1.00 0.39 O ATOM 160 CB LEU A 10 1.603 6.115 -8.183 1.00 0.41 C ATOM 161 CG LEU A 10 0.523 5.101 -8.610 1.00 0.37 C ATOM 162 CD1 LEU A 10 0.420 3.984 -7.577 1.00 0.41 C ATOM 163 CD2 LEU A 10 -0.820 5.807 -8.713 1.00 0.41 C ATOM 0 H LEU A 10 3.723 7.482 -8.234 1.00 0.41 H new ATOM 0 HA LEU A 10 3.077 4.857 -7.281 1.00 0.40 H new ATOM 0 HB2 LEU A 10 1.373 6.498 -7.189 1.00 0.41 H new ATOM 0 HB3 LEU A 10 1.595 6.967 -8.863 1.00 0.41 H new ATOM 0 HG LEU A 10 0.796 4.677 -9.576 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -0.345 3.272 -7.886 1.00 0.41 H new ATOM 0 HD12 LEU A 10 1.380 3.473 -7.496 1.00 0.41 H new ATOM 0 HD13 LEU A 10 0.152 4.407 -6.609 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -1.585 5.092 -9.015 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -1.083 6.232 -7.744 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -0.756 6.604 -9.454 1.00 0.41 H new ATOM 175 N LYS A 11 3.719 5.143 -10.475 1.00 0.42 N ATOM 176 CA LYS A 11 3.926 4.329 -11.696 1.00 0.44 C ATOM 177 C LYS A 11 4.916 3.209 -11.397 1.00 0.43 C ATOM 178 O LYS A 11 4.857 2.146 -11.984 1.00 0.45 O ATOM 179 CB LYS A 11 4.491 5.230 -12.799 1.00 0.49 C ATOM 180 CG LYS A 11 4.593 4.450 -14.109 1.00 0.83 C ATOM 181 CD LYS A 11 5.081 5.385 -15.218 1.00 0.98 C ATOM 182 CE LYS A 11 5.283 4.591 -16.508 1.00 1.64 C ATOM 183 NZ LYS A 11 6.340 3.562 -16.297 1.00 2.31 N ATOM 0 H LYS A 11 4.010 6.118 -10.547 1.00 0.42 H new ATOM 0 HA LYS A 11 2.980 3.895 -12.019 1.00 0.44 H new ATOM 0 HB2 LYS A 11 3.849 6.101 -12.933 1.00 0.49 H new ATOM 0 HB3 LYS A 11 5.474 5.601 -12.509 1.00 0.49 H new ATOM 0 HG2 LYS A 11 5.281 3.613 -13.994 1.00 0.83 H new ATOM 0 HG3 LYS A 11 3.622 4.031 -14.372 1.00 0.83 H new ATOM 0 HD2 LYS A 11 4.356 6.183 -15.380 1.00 0.98 H new ATOM 0 HD3 LYS A 11 6.016 5.860 -14.921 1.00 0.98 H new ATOM 0 HE2 LYS A 11 4.349 4.113 -16.804 1.00 1.64 H new ATOM 0 HE3 LYS A 11 5.569 5.261 -17.319 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 6.765 3.308 -17.212 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 7.075 3.943 -15.667 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 5.919 2.715 -15.864 1.00 2.31 H new ATOM 197 N ASP A 12 5.845 3.436 -10.506 1.00 0.43 N ATOM 198 CA ASP A 12 6.838 2.368 -10.216 1.00 0.45 C ATOM 199 C ASP A 12 6.103 1.100 -9.776 1.00 0.44 C ATOM 200 O ASP A 12 6.630 0.007 -9.845 1.00 0.46 O ATOM 201 CB ASP A 12 7.812 2.833 -9.123 1.00 0.48 C ATOM 202 CG ASP A 12 7.115 2.892 -7.759 1.00 1.16 C ATOM 203 OD1 ASP A 12 5.920 2.664 -7.705 1.00 1.88 O ATOM 204 OD2 ASP A 12 7.796 3.175 -6.786 1.00 1.94 O ATOM 0 H ASP A 12 5.957 4.300 -9.976 1.00 0.43 H new ATOM 0 HA ASP A 12 7.414 2.153 -11.116 1.00 0.45 H new ATOM 0 HB2 ASP A 12 8.661 2.151 -9.073 1.00 0.48 H new ATOM 0 HB3 ASP A 12 8.207 3.817 -9.377 1.00 0.48 H new ATOM 209 N ALA A 13 4.884 1.241 -9.309 1.00 0.43 N ATOM 210 CA ALA A 13 4.121 0.046 -8.851 1.00 0.45 C ATOM 211 C ALA A 13 3.914 -0.909 -10.022 1.00 0.49 C ATOM 212 O ALA A 13 3.595 -2.068 -9.843 1.00 0.57 O ATOM 213 CB ALA A 13 2.762 0.489 -8.305 1.00 0.44 C ATOM 0 H ALA A 13 4.390 2.130 -9.227 1.00 0.43 H new ATOM 0 HA ALA A 13 4.680 -0.463 -8.066 1.00 0.45 H new ATOM 0 HB1 ALA A 13 2.202 -0.384 -7.970 1.00 0.44 H new ATOM 0 HB2 ALA A 13 2.911 1.169 -7.466 1.00 0.44 H new ATOM 0 HB3 ALA A 13 2.203 0.998 -9.090 1.00 0.44 H new ATOM 219 N TYR A 14 4.090 -0.434 -11.224 1.00 0.54 N ATOM 220 CA TYR A 14 3.900 -1.314 -12.412 1.00 0.60 C ATOM 221 C TYR A 14 5.227 -1.989 -12.772 1.00 0.67 C ATOM 222 O TYR A 14 5.436 -2.390 -13.898 1.00 1.15 O ATOM 223 CB TYR A 14 3.408 -0.468 -13.589 1.00 0.61 C ATOM 224 CG TYR A 14 1.981 -0.029 -13.328 1.00 0.58 C ATOM 225 CD1 TYR A 14 1.712 0.918 -12.331 1.00 1.32 C ATOM 226 CD2 TYR A 14 0.928 -0.571 -14.079 1.00 1.37 C ATOM 227 CE1 TYR A 14 0.392 1.323 -12.084 1.00 1.33 C ATOM 228 CE2 TYR A 14 -0.390 -0.166 -13.832 1.00 1.41 C ATOM 229 CZ TYR A 14 -0.658 0.781 -12.835 1.00 0.70 C ATOM 230 OH TYR A 14 -1.957 1.179 -12.593 1.00 0.82 O ATOM 0 H TYR A 14 4.358 0.527 -11.435 1.00 0.54 H new ATOM 0 HA TYR A 14 3.163 -2.084 -12.185 1.00 0.60 H new ATOM 0 HB2 TYR A 14 4.050 0.403 -13.720 1.00 0.61 H new ATOM 0 HB3 TYR A 14 3.460 -1.044 -14.513 1.00 0.61 H new ATOM 0 HD1 TYR A 14 2.522 1.337 -11.752 1.00 1.32 H new ATOM 0 HD2 TYR A 14 1.133 -1.301 -14.848 1.00 1.37 H new ATOM 0 HE1 TYR A 14 0.186 2.053 -11.315 1.00 1.33 H new ATOM 0 HE2 TYR A 14 -1.200 -0.584 -14.411 1.00 1.41 H new ATOM 0 HH TYR A 14 -2.563 0.707 -13.202 1.00 0.82 H new ATOM 240 N GLU A 15 6.136 -2.091 -11.826 1.00 0.57 N ATOM 241 CA GLU A 15 7.470 -2.725 -12.096 1.00 0.60 C ATOM 242 C GLU A 15 7.560 -4.084 -11.362 1.00 0.53 C ATOM 243 O GLU A 15 7.874 -4.107 -10.189 1.00 0.57 O ATOM 244 CB GLU A 15 8.567 -1.811 -11.548 1.00 0.68 C ATOM 245 CG GLU A 15 8.612 -0.520 -12.364 1.00 0.89 C ATOM 246 CD GLU A 15 9.722 0.383 -11.824 1.00 1.59 C ATOM 247 OE1 GLU A 15 9.799 0.535 -10.616 1.00 2.12 O ATOM 248 OE2 GLU A 15 10.477 0.906 -12.628 1.00 2.32 O ATOM 0 H GLU A 15 6.009 -1.759 -10.870 1.00 0.57 H new ATOM 0 HA GLU A 15 7.590 -2.875 -13.169 1.00 0.60 H new ATOM 0 HB2 GLU A 15 8.375 -1.584 -10.499 1.00 0.68 H new ATOM 0 HB3 GLU A 15 9.532 -2.316 -11.594 1.00 0.68 H new ATOM 0 HG2 GLU A 15 8.792 -0.747 -13.415 1.00 0.89 H new ATOM 0 HG3 GLU A 15 7.652 -0.008 -12.308 1.00 0.89 H new ATOM 255 N PRO A 16 7.279 -5.182 -12.045 1.00 0.51 N ATOM 256 CA PRO A 16 7.330 -6.517 -11.413 1.00 0.48 C ATOM 257 C PRO A 16 8.730 -6.852 -10.866 1.00 0.51 C ATOM 258 O PRO A 16 8.932 -7.933 -10.349 1.00 0.76 O ATOM 259 CB PRO A 16 6.935 -7.508 -12.536 1.00 0.53 C ATOM 260 CG PRO A 16 6.535 -6.668 -13.778 1.00 0.64 C ATOM 261 CD PRO A 16 6.886 -5.198 -13.473 1.00 0.60 C ATOM 0 HA PRO A 16 6.662 -6.567 -10.553 1.00 0.48 H new ATOM 0 HB2 PRO A 16 7.767 -8.171 -12.773 1.00 0.53 H new ATOM 0 HB3 PRO A 16 6.106 -8.139 -12.216 1.00 0.53 H new ATOM 0 HG2 PRO A 16 7.068 -7.014 -14.663 1.00 0.64 H new ATOM 0 HG3 PRO A 16 5.470 -6.773 -13.986 1.00 0.64 H new ATOM 0 HD2 PRO A 16 7.698 -4.847 -14.109 1.00 0.60 H new ATOM 0 HD3 PRO A 16 6.033 -4.544 -13.654 1.00 0.60 H new ATOM 269 N LEU A 17 9.697 -5.972 -10.958 1.00 0.63 N ATOM 270 CA LEU A 17 11.039 -6.335 -10.406 1.00 0.74 C ATOM 271 C LEU A 17 11.479 -7.695 -10.957 1.00 0.79 C ATOM 272 O LEU A 17 11.167 -8.047 -12.075 1.00 1.03 O ATOM 273 CB LEU A 17 10.947 -6.404 -8.871 1.00 0.79 C ATOM 274 CG LEU A 17 10.614 -5.014 -8.298 1.00 1.26 C ATOM 275 CD1 LEU A 17 10.517 -5.112 -6.771 1.00 1.12 C ATOM 276 CD2 LEU A 17 11.712 -3.997 -8.676 1.00 2.28 C ATOM 0 H LEU A 17 9.621 -5.046 -11.378 1.00 0.63 H new ATOM 0 HA LEU A 17 11.770 -5.582 -10.699 1.00 0.74 H new ATOM 0 HB2 LEU A 17 10.180 -7.121 -8.577 1.00 0.79 H new ATOM 0 HB3 LEU A 17 11.891 -6.760 -8.458 1.00 0.79 H new ATOM 0 HG LEU A 17 9.665 -4.676 -8.714 1.00 1.26 H new ATOM 0 HD11 LEU A 17 10.281 -4.131 -6.358 1.00 1.12 H new ATOM 0 HD12 LEU A 17 9.732 -5.818 -6.501 1.00 1.12 H new ATOM 0 HD13 LEU A 17 11.469 -5.457 -6.367 1.00 1.12 H new ATOM 0 HD21 LEU A 17 11.461 -3.020 -8.263 1.00 2.28 H new ATOM 0 HD22 LEU A 17 12.669 -4.327 -8.271 1.00 2.28 H new ATOM 0 HD23 LEU A 17 11.783 -3.925 -9.761 1.00 2.28 H new ATOM 288 N TYR A 18 12.153 -8.482 -10.155 1.00 0.78 N ATOM 289 CA TYR A 18 12.588 -9.845 -10.600 1.00 0.88 C ATOM 290 C TYR A 18 12.582 -10.772 -9.368 1.00 0.76 C ATOM 291 O TYR A 18 12.752 -10.297 -8.263 1.00 0.63 O ATOM 292 CB TYR A 18 14.016 -9.785 -11.190 1.00 1.09 C ATOM 293 CG TYR A 18 14.240 -8.466 -11.886 1.00 0.78 C ATOM 294 CD1 TYR A 18 13.534 -8.166 -13.055 1.00 1.46 C ATOM 295 CD2 TYR A 18 15.159 -7.547 -11.369 1.00 1.41 C ATOM 296 CE1 TYR A 18 13.740 -6.946 -13.703 1.00 1.64 C ATOM 297 CE2 TYR A 18 15.369 -6.330 -12.016 1.00 1.67 C ATOM 298 CZ TYR A 18 14.658 -6.024 -13.184 1.00 1.40 C ATOM 299 OH TYR A 18 14.866 -4.820 -13.824 1.00 1.95 O ATOM 0 H TYR A 18 12.423 -8.237 -9.202 1.00 0.78 H new ATOM 0 HA TYR A 18 11.911 -10.218 -11.368 1.00 0.88 H new ATOM 0 HB2 TYR A 18 14.751 -9.914 -10.395 1.00 1.09 H new ATOM 0 HB3 TYR A 18 14.161 -10.605 -11.894 1.00 1.09 H new ATOM 0 HD1 TYR A 18 12.829 -8.878 -13.457 1.00 1.46 H new ATOM 0 HD2 TYR A 18 15.706 -7.780 -10.468 1.00 1.41 H new ATOM 0 HE1 TYR A 18 13.192 -6.714 -14.604 1.00 1.64 H new ATOM 0 HE2 TYR A 18 16.080 -5.622 -11.617 1.00 1.67 H new ATOM 0 HH TYR A 18 15.534 -4.299 -13.331 1.00 1.95 H new ATOM 309 N PRO A 19 12.403 -12.064 -9.567 1.00 0.88 N ATOM 310 CA PRO A 19 12.404 -13.006 -8.435 1.00 0.87 C ATOM 311 C PRO A 19 13.734 -12.910 -7.669 1.00 0.80 C ATOM 312 O PRO A 19 13.822 -13.294 -6.520 1.00 0.77 O ATOM 313 CB PRO A 19 12.223 -14.404 -9.074 1.00 1.11 C ATOM 314 CG PRO A 19 12.130 -14.207 -10.614 1.00 1.24 C ATOM 315 CD PRO A 19 12.184 -12.690 -10.892 1.00 1.09 C ATOM 0 HA PRO A 19 11.615 -12.794 -7.713 1.00 0.87 H new ATOM 0 HB2 PRO A 19 13.062 -15.053 -8.821 1.00 1.11 H new ATOM 0 HB3 PRO A 19 11.322 -14.885 -8.694 1.00 1.11 H new ATOM 0 HG2 PRO A 19 12.951 -14.718 -11.116 1.00 1.24 H new ATOM 0 HG3 PRO A 19 11.205 -14.635 -11.000 1.00 1.24 H new ATOM 0 HD2 PRO A 19 12.991 -12.444 -11.583 1.00 1.09 H new ATOM 0 HD3 PRO A 19 11.257 -12.339 -11.346 1.00 1.09 H new ATOM 323 N GLN A 20 14.775 -12.421 -8.298 1.00 0.80 N ATOM 324 CA GLN A 20 16.089 -12.337 -7.589 1.00 0.77 C ATOM 325 C GLN A 20 16.073 -11.153 -6.615 1.00 0.68 C ATOM 326 O GLN A 20 16.364 -11.300 -5.445 1.00 0.67 O ATOM 327 CB GLN A 20 17.226 -12.160 -8.610 1.00 0.85 C ATOM 328 CG GLN A 20 17.645 -13.521 -9.170 1.00 1.41 C ATOM 329 CD GLN A 20 18.664 -13.317 -10.294 1.00 1.86 C ATOM 330 OE1 GLN A 20 18.511 -12.435 -11.115 1.00 2.60 O ATOM 331 NE2 GLN A 20 19.706 -14.099 -10.364 1.00 2.30 N ATOM 0 H GLN A 20 14.773 -12.080 -9.259 1.00 0.80 H new ATOM 0 HA GLN A 20 16.255 -13.259 -7.032 1.00 0.77 H new ATOM 0 HB2 GLN A 20 16.899 -11.509 -9.421 1.00 0.85 H new ATOM 0 HB3 GLN A 20 18.079 -11.675 -8.136 1.00 0.85 H new ATOM 0 HG2 GLN A 20 18.077 -14.134 -8.379 1.00 1.41 H new ATOM 0 HG3 GLN A 20 16.773 -14.055 -9.547 1.00 1.41 H new ATOM 0 HE21 GLN A 20 19.835 -14.840 -9.675 1.00 2.30 H new ATOM 0 HE22 GLN A 20 20.392 -13.970 -11.108 1.00 2.30 H new ATOM 340 N GLN A 21 15.744 -9.984 -7.084 1.00 0.64 N ATOM 341 CA GLN A 21 15.723 -8.802 -6.177 1.00 0.59 C ATOM 342 C GLN A 21 14.823 -9.098 -4.976 1.00 0.50 C ATOM 343 O GLN A 21 15.106 -8.701 -3.863 1.00 0.47 O ATOM 344 CB GLN A 21 15.180 -7.587 -6.935 1.00 0.64 C ATOM 345 CG GLN A 21 16.260 -7.034 -7.870 1.00 1.02 C ATOM 346 CD GLN A 21 17.287 -6.240 -7.060 1.00 1.57 C ATOM 347 OE1 GLN A 21 17.204 -6.225 -5.759 1.00 2.34 O flip ATOM 348 NE2 GLN A 21 18.175 -5.626 -7.619 1.00 1.94 N flip ATOM 0 H GLN A 21 15.489 -9.794 -8.053 1.00 0.64 H new ATOM 0 HA GLN A 21 16.735 -8.591 -5.830 1.00 0.59 H new ATOM 0 HB2 GLN A 21 14.298 -7.870 -7.510 1.00 0.64 H new ATOM 0 HB3 GLN A 21 14.867 -6.817 -6.230 1.00 0.64 H new ATOM 0 HG2 GLN A 21 16.752 -7.852 -8.397 1.00 1.02 H new ATOM 0 HG3 GLN A 21 15.806 -6.394 -8.627 1.00 1.02 H new ATOM 0 HE21 GLN A 21 18.240 -5.637 -8.637 1.00 1.94 H new ATOM 0 HE22 GLN A 21 18.855 -5.099 -7.070 1.00 1.94 H new ATOM 357 N LEU A 22 13.738 -9.787 -5.191 1.00 0.52 N ATOM 358 CA LEU A 22 12.822 -10.097 -4.062 1.00 0.46 C ATOM 359 C LEU A 22 13.487 -11.096 -3.114 1.00 0.42 C ATOM 360 O LEU A 22 13.293 -11.043 -1.914 1.00 0.40 O ATOM 361 CB LEU A 22 11.528 -10.700 -4.623 1.00 0.52 C ATOM 362 CG LEU A 22 10.543 -11.029 -3.490 1.00 0.59 C ATOM 363 CD1 LEU A 22 10.099 -9.743 -2.775 1.00 0.52 C ATOM 364 CD2 LEU A 22 9.323 -11.728 -4.093 1.00 0.93 C ATOM 0 H LEU A 22 13.447 -10.148 -6.099 1.00 0.52 H new ATOM 0 HA LEU A 22 12.596 -9.184 -3.511 1.00 0.46 H new ATOM 0 HB2 LEU A 22 11.067 -10.000 -5.320 1.00 0.52 H new ATOM 0 HB3 LEU A 22 11.757 -11.605 -5.186 1.00 0.52 H new ATOM 0 HG LEU A 22 11.030 -11.678 -2.762 1.00 0.59 H new ATOM 0 HD11 LEU A 22 9.402 -9.993 -1.975 1.00 0.52 H new ATOM 0 HD12 LEU A 22 10.970 -9.242 -2.353 1.00 0.52 H new ATOM 0 HD13 LEU A 22 9.610 -9.080 -3.489 1.00 0.52 H new ATOM 0 HD21 LEU A 22 8.613 -11.969 -3.301 1.00 0.93 H new ATOM 0 HD22 LEU A 22 8.847 -11.068 -4.819 1.00 0.93 H new ATOM 0 HD23 LEU A 22 9.638 -12.646 -4.589 1.00 0.93 H new ATOM 376 N GLU A 23 14.254 -12.022 -3.628 1.00 0.44 N ATOM 377 CA GLU A 23 14.889 -13.021 -2.724 1.00 0.42 C ATOM 378 C GLU A 23 16.005 -12.343 -1.925 1.00 0.38 C ATOM 379 O GLU A 23 16.253 -12.668 -0.781 1.00 0.37 O ATOM 380 CB GLU A 23 15.462 -14.175 -3.550 1.00 0.47 C ATOM 381 CG GLU A 23 15.931 -15.293 -2.618 1.00 1.13 C ATOM 382 CD GLU A 23 16.498 -16.444 -3.450 1.00 1.66 C ATOM 383 OE1 GLU A 23 17.293 -16.174 -4.336 1.00 2.30 O ATOM 384 OE2 GLU A 23 16.127 -17.577 -3.189 1.00 2.28 O ATOM 0 H GLU A 23 14.465 -12.128 -4.620 1.00 0.44 H new ATOM 0 HA GLU A 23 14.143 -13.417 -2.035 1.00 0.42 H new ATOM 0 HB2 GLU A 23 14.705 -14.554 -4.237 1.00 0.47 H new ATOM 0 HB3 GLU A 23 16.295 -13.821 -4.158 1.00 0.47 H new ATOM 0 HG2 GLU A 23 16.691 -14.916 -1.933 1.00 1.13 H new ATOM 0 HG3 GLU A 23 15.099 -15.646 -2.008 1.00 1.13 H new ATOM 391 N ILE A 24 16.676 -11.395 -2.524 1.00 0.39 N ATOM 392 CA ILE A 24 17.771 -10.684 -1.816 1.00 0.39 C ATOM 393 C ILE A 24 17.200 -9.986 -0.577 1.00 0.36 C ATOM 394 O ILE A 24 17.731 -10.098 0.510 1.00 0.37 O ATOM 395 CB ILE A 24 18.381 -9.653 -2.768 1.00 0.44 C ATOM 396 CG1 ILE A 24 19.099 -10.388 -3.912 1.00 0.52 C ATOM 397 CG2 ILE A 24 19.382 -8.783 -2.013 1.00 0.48 C ATOM 398 CD1 ILE A 24 19.533 -9.406 -5.015 1.00 0.89 C ATOM 0 H ILE A 24 16.508 -11.083 -3.481 1.00 0.39 H new ATOM 0 HA ILE A 24 18.541 -11.388 -1.502 1.00 0.39 H new ATOM 0 HB ILE A 24 17.592 -9.020 -3.174 1.00 0.44 H new ATOM 0 HG12 ILE A 24 19.972 -10.910 -3.521 1.00 0.52 H new ATOM 0 HG13 ILE A 24 18.438 -11.145 -4.334 1.00 0.52 H new ATOM 0 HG21 ILE A 24 19.814 -8.050 -2.695 1.00 0.48 H new ATOM 0 HG22 ILE A 24 18.874 -8.266 -1.199 1.00 0.48 H new ATOM 0 HG23 ILE A 24 20.174 -9.411 -1.605 1.00 0.48 H new ATOM 0 HD11 ILE A 24 20.038 -9.953 -5.811 1.00 0.89 H new ATOM 0 HD12 ILE A 24 18.655 -8.903 -5.421 1.00 0.89 H new ATOM 0 HD13 ILE A 24 20.214 -8.665 -4.595 1.00 0.89 H new ATOM 410 N LEU A 25 16.118 -9.272 -0.731 1.00 0.34 N ATOM 411 CA LEU A 25 15.512 -8.575 0.439 1.00 0.34 C ATOM 412 C LEU A 25 15.111 -9.613 1.493 1.00 0.32 C ATOM 413 O LEU A 25 15.100 -9.339 2.676 1.00 0.34 O ATOM 414 CB LEU A 25 14.270 -7.798 -0.013 1.00 0.36 C ATOM 415 CG LEU A 25 14.668 -6.710 -1.024 1.00 0.38 C ATOM 416 CD1 LEU A 25 13.416 -6.215 -1.755 1.00 0.44 C ATOM 417 CD2 LEU A 25 15.335 -5.526 -0.304 1.00 0.41 C ATOM 0 H LEU A 25 15.628 -9.141 -1.616 1.00 0.34 H new ATOM 0 HA LEU A 25 16.236 -7.881 0.866 1.00 0.34 H new ATOM 0 HB2 LEU A 25 13.549 -8.480 -0.465 1.00 0.36 H new ATOM 0 HB3 LEU A 25 13.782 -7.344 0.849 1.00 0.36 H new ATOM 0 HG LEU A 25 15.375 -7.134 -1.737 1.00 0.38 H new ATOM 0 HD11 LEU A 25 13.695 -5.443 -2.473 1.00 0.44 H new ATOM 0 HD12 LEU A 25 12.949 -7.048 -2.281 1.00 0.44 H new ATOM 0 HD13 LEU A 25 12.713 -5.801 -1.032 1.00 0.44 H new ATOM 0 HD21 LEU A 25 15.611 -4.765 -1.034 1.00 0.41 H new ATOM 0 HD22 LEU A 25 14.639 -5.101 0.419 1.00 0.41 H new ATOM 0 HD23 LEU A 25 16.229 -5.872 0.214 1.00 0.41 H new ATOM 429 N ARG A 26 14.789 -10.804 1.069 1.00 0.31 N ATOM 430 CA ARG A 26 14.396 -11.867 2.037 1.00 0.33 C ATOM 431 C ARG A 26 15.650 -12.379 2.748 1.00 0.31 C ATOM 432 O ARG A 26 15.650 -12.616 3.939 1.00 0.32 O ATOM 433 CB ARG A 26 13.718 -13.016 1.282 1.00 0.38 C ATOM 434 CG ARG A 26 12.943 -13.894 2.266 1.00 0.69 C ATOM 435 CD ARG A 26 12.236 -15.016 1.503 1.00 1.00 C ATOM 436 NE ARG A 26 11.368 -14.427 0.444 1.00 1.36 N ATOM 437 CZ ARG A 26 10.901 -15.183 -0.513 1.00 1.86 C ATOM 438 NH1 ARG A 26 11.193 -16.455 -0.541 1.00 2.36 N ATOM 439 NH2 ARG A 26 10.141 -14.668 -1.440 1.00 2.46 N ATOM 0 H ARG A 26 14.781 -11.088 0.089 1.00 0.31 H new ATOM 0 HA ARG A 26 13.700 -11.464 2.772 1.00 0.33 H new ATOM 0 HB2 ARG A 26 13.042 -12.618 0.525 1.00 0.38 H new ATOM 0 HB3 ARG A 26 14.466 -13.612 0.759 1.00 0.38 H new ATOM 0 HG2 ARG A 26 13.623 -14.316 3.006 1.00 0.69 H new ATOM 0 HG3 ARG A 26 12.213 -13.293 2.809 1.00 0.69 H new ATOM 0 HD2 ARG A 26 12.971 -15.685 1.055 1.00 1.00 H new ATOM 0 HD3 ARG A 26 11.636 -15.615 2.189 1.00 1.00 H new ATOM 0 HE ARG A 26 11.139 -13.433 0.467 1.00 1.36 H new ATOM 0 HH11 ARG A 26 11.786 -16.858 0.185 1.00 2.36 H new ATOM 0 HH12 ARG A 26 10.828 -17.046 -1.288 1.00 2.36 H new ATOM 0 HH21 ARG A 26 9.911 -13.674 -1.418 1.00 2.46 H new ATOM 0 HH22 ARG A 26 9.777 -15.259 -2.187 1.00 2.46 H new ATOM 453 N GLN A 27 16.729 -12.519 2.027 1.00 0.31 N ATOM 454 CA GLN A 27 18.001 -12.979 2.650 1.00 0.32 C ATOM 455 C GLN A 27 18.381 -12.019 3.776 1.00 0.31 C ATOM 456 O GLN A 27 18.766 -12.425 4.854 1.00 0.33 O ATOM 457 CB GLN A 27 19.101 -12.953 1.584 1.00 0.33 C ATOM 458 CG GLN A 27 18.898 -14.125 0.619 1.00 0.99 C ATOM 459 CD GLN A 27 19.972 -14.087 -0.470 1.00 1.48 C ATOM 460 OE1 GLN A 27 21.096 -13.468 -0.239 1.00 2.02 O flip ATOM 461 NE2 GLN A 27 19.786 -14.628 -1.542 1.00 2.23 N flip ATOM 0 H GLN A 27 16.783 -12.333 1.026 1.00 0.31 H new ATOM 0 HA GLN A 27 17.882 -13.987 3.048 1.00 0.32 H new ATOM 0 HB2 GLN A 27 19.073 -12.009 1.039 1.00 0.33 H new ATOM 0 HB3 GLN A 27 20.082 -13.020 2.055 1.00 0.33 H new ATOM 0 HG2 GLN A 27 18.950 -15.069 1.162 1.00 0.99 H new ATOM 0 HG3 GLN A 27 17.907 -14.070 0.168 1.00 0.99 H new ATOM 0 HE21 GLN A 27 18.907 -15.112 -1.723 1.00 2.23 H new ATOM 0 HE22 GLN A 27 20.509 -14.598 -2.261 1.00 2.23 H new ATOM 470 N GLN A 28 18.269 -10.742 3.527 1.00 0.30 N ATOM 471 CA GLN A 28 18.615 -9.741 4.572 1.00 0.31 C ATOM 472 C GLN A 28 17.639 -9.878 5.739 1.00 0.30 C ATOM 473 O GLN A 28 17.979 -9.633 6.879 1.00 0.34 O ATOM 474 CB GLN A 28 18.512 -8.333 3.980 1.00 0.33 C ATOM 475 CG GLN A 28 19.141 -7.323 4.941 1.00 1.10 C ATOM 476 CD GLN A 28 18.957 -5.909 4.387 1.00 1.61 C ATOM 477 OE1 GLN A 28 17.845 -5.468 4.172 1.00 2.28 O ATOM 478 NE2 GLN A 28 20.008 -5.174 4.143 1.00 2.28 N ATOM 0 H GLN A 28 17.951 -10.349 2.641 1.00 0.30 H new ATOM 0 HA GLN A 28 19.632 -9.911 4.924 1.00 0.31 H new ATOM 0 HB2 GLN A 28 19.018 -8.296 3.015 1.00 0.33 H new ATOM 0 HB3 GLN A 28 17.467 -8.078 3.802 1.00 0.33 H new ATOM 0 HG2 GLN A 28 18.677 -7.403 5.924 1.00 1.10 H new ATOM 0 HG3 GLN A 28 20.201 -7.539 5.070 1.00 1.10 H new ATOM 0 HE21 GLN A 28 20.942 -5.543 4.323 1.00 2.28 H new ATOM 0 HE22 GLN A 28 19.896 -4.230 3.772 1.00 2.28 H new ATOM 487 N VAL A 29 16.426 -10.275 5.462 1.00 0.27 N ATOM 488 CA VAL A 29 15.436 -10.432 6.564 1.00 0.28 C ATOM 489 C VAL A 29 15.729 -11.734 7.319 1.00 0.30 C ATOM 490 O VAL A 29 15.832 -11.753 8.530 1.00 0.33 O ATOM 491 CB VAL A 29 14.019 -10.469 5.972 1.00 0.27 C ATOM 492 CG1 VAL A 29 13.024 -11.020 7.004 1.00 0.30 C ATOM 493 CG2 VAL A 29 13.603 -9.050 5.572 1.00 0.27 C ATOM 0 H VAL A 29 16.081 -10.496 4.528 1.00 0.27 H new ATOM 0 HA VAL A 29 15.509 -9.593 7.256 1.00 0.28 H new ATOM 0 HB VAL A 29 14.016 -11.119 5.097 1.00 0.27 H new ATOM 0 HG11 VAL A 29 12.024 -11.040 6.571 1.00 0.30 H new ATOM 0 HG12 VAL A 29 13.317 -12.031 7.288 1.00 0.30 H new ATOM 0 HG13 VAL A 29 13.024 -10.381 7.887 1.00 0.30 H new ATOM 0 HG21 VAL A 29 12.598 -9.071 5.151 1.00 0.27 H new ATOM 0 HG22 VAL A 29 13.615 -8.406 6.451 1.00 0.27 H new ATOM 0 HG23 VAL A 29 14.300 -8.663 4.829 1.00 0.27 H new ATOM 503 N VAL A 30 15.850 -12.821 6.612 1.00 0.31 N ATOM 504 CA VAL A 30 16.121 -14.125 7.278 1.00 0.35 C ATOM 505 C VAL A 30 17.531 -14.134 7.870 1.00 0.37 C ATOM 506 O VAL A 30 17.758 -14.649 8.947 1.00 0.42 O ATOM 507 CB VAL A 30 16.004 -15.239 6.240 1.00 0.35 C ATOM 508 CG1 VAL A 30 16.211 -16.592 6.915 1.00 0.40 C ATOM 509 CG2 VAL A 30 14.616 -15.191 5.603 1.00 0.35 C ATOM 0 H VAL A 30 15.773 -12.863 5.596 1.00 0.31 H new ATOM 0 HA VAL A 30 15.400 -14.277 8.082 1.00 0.35 H new ATOM 0 HB VAL A 30 16.764 -15.102 5.471 1.00 0.35 H new ATOM 0 HG11 VAL A 30 16.127 -17.386 6.173 1.00 0.40 H new ATOM 0 HG12 VAL A 30 17.201 -16.624 7.370 1.00 0.40 H new ATOM 0 HG13 VAL A 30 15.453 -16.734 7.685 1.00 0.40 H new ATOM 0 HG21 VAL A 30 14.528 -15.985 4.861 1.00 0.35 H new ATOM 0 HG22 VAL A 30 13.857 -15.329 6.373 1.00 0.35 H new ATOM 0 HG23 VAL A 30 14.471 -14.225 5.119 1.00 0.35 H new ATOM 519 N SER A 31 18.483 -13.589 7.169 1.00 0.36 N ATOM 520 CA SER A 31 19.881 -13.591 7.689 1.00 0.39 C ATOM 521 C SER A 31 19.961 -12.808 9.006 1.00 0.42 C ATOM 522 O SER A 31 20.734 -13.140 9.883 1.00 0.47 O ATOM 523 CB SER A 31 20.811 -12.957 6.653 1.00 0.38 C ATOM 524 OG SER A 31 20.738 -13.699 5.442 1.00 1.36 O ATOM 0 H SER A 31 18.357 -13.143 6.261 1.00 0.36 H new ATOM 0 HA SER A 31 20.189 -14.620 7.875 1.00 0.39 H new ATOM 0 HB2 SER A 31 20.525 -11.920 6.476 1.00 0.38 H new ATOM 0 HB3 SER A 31 21.835 -12.946 7.025 1.00 0.38 H new ATOM 0 HG SER A 31 19.844 -13.602 5.052 1.00 1.36 H new ATOM 530 N GLU A 32 19.185 -11.766 9.152 1.00 0.42 N ATOM 531 CA GLU A 32 19.243 -10.969 10.414 1.00 0.47 C ATOM 532 C GLU A 32 18.406 -11.646 11.504 1.00 0.49 C ATOM 533 O GLU A 32 18.389 -11.211 12.638 1.00 0.54 O ATOM 534 CB GLU A 32 18.701 -9.562 10.155 1.00 0.48 C ATOM 535 CG GLU A 32 19.625 -8.818 9.183 1.00 0.79 C ATOM 536 CD GLU A 32 20.852 -8.293 9.935 1.00 1.50 C ATOM 537 OE1 GLU A 32 20.685 -7.401 10.751 1.00 2.23 O ATOM 538 OE2 GLU A 32 21.936 -8.793 9.683 1.00 2.22 O ATOM 0 H GLU A 32 18.517 -11.433 8.457 1.00 0.42 H new ATOM 0 HA GLU A 32 20.279 -10.907 10.748 1.00 0.47 H new ATOM 0 HB2 GLU A 32 17.695 -9.621 9.741 1.00 0.48 H new ATOM 0 HB3 GLU A 32 18.628 -9.013 11.094 1.00 0.48 H new ATOM 0 HG2 GLU A 32 19.937 -9.486 8.380 1.00 0.79 H new ATOM 0 HG3 GLU A 32 19.089 -7.990 8.719 1.00 0.79 H new ATOM 545 N GLY A 33 17.730 -12.720 11.173 1.00 0.47 N ATOM 546 CA GLY A 33 16.906 -13.451 12.194 1.00 0.50 C ATOM 547 C GLY A 33 15.413 -13.343 11.863 1.00 0.50 C ATOM 548 O GLY A 33 14.575 -13.659 12.679 1.00 0.66 O ATOM 0 H GLY A 33 17.712 -13.125 10.237 1.00 0.47 H new ATOM 0 HA2 GLY A 33 17.202 -14.500 12.224 1.00 0.50 H new ATOM 0 HA3 GLY A 33 17.095 -13.038 13.185 1.00 0.50 H new ATOM 552 N GLY A 34 15.075 -12.929 10.672 1.00 0.43 N ATOM 553 CA GLY A 34 13.632 -12.837 10.293 1.00 0.43 C ATOM 554 C GLY A 34 12.964 -11.600 10.948 1.00 0.43 C ATOM 555 O GLY A 34 13.340 -10.490 10.628 1.00 0.41 O ATOM 0 H GLY A 34 15.733 -12.650 9.944 1.00 0.43 H new ATOM 0 HA2 GLY A 34 13.540 -12.773 9.209 1.00 0.43 H new ATOM 0 HA3 GLY A 34 13.112 -13.743 10.604 1.00 0.43 H new ATOM 559 N PRO A 35 11.977 -11.789 11.824 1.00 0.47 N ATOM 560 CA PRO A 35 11.288 -10.639 12.452 1.00 0.51 C ATOM 561 C PRO A 35 12.289 -9.716 13.166 1.00 0.52 C ATOM 562 O PRO A 35 12.103 -8.517 13.223 1.00 0.64 O ATOM 563 CB PRO A 35 10.289 -11.263 13.456 1.00 0.57 C ATOM 564 CG PRO A 35 10.407 -12.808 13.338 1.00 0.58 C ATOM 565 CD PRO A 35 11.471 -13.115 12.262 1.00 0.52 C ATOM 0 HA PRO A 35 10.783 -10.017 11.713 1.00 0.51 H new ATOM 0 HB2 PRO A 35 10.514 -10.938 14.472 1.00 0.57 H new ATOM 0 HB3 PRO A 35 9.272 -10.939 13.236 1.00 0.57 H new ATOM 0 HG2 PRO A 35 10.693 -13.244 14.295 1.00 0.58 H new ATOM 0 HG3 PRO A 35 9.447 -13.245 13.063 1.00 0.58 H new ATOM 0 HD2 PRO A 35 12.275 -13.729 12.668 1.00 0.52 H new ATOM 0 HD3 PRO A 35 11.039 -13.667 11.427 1.00 0.52 H new ATOM 573 N THR A 36 13.340 -10.259 13.712 1.00 0.50 N ATOM 574 CA THR A 36 14.332 -9.402 14.419 1.00 0.50 C ATOM 575 C THR A 36 15.184 -8.654 13.394 1.00 0.48 C ATOM 576 O THR A 36 16.218 -8.102 13.714 1.00 0.48 O ATOM 577 CB THR A 36 15.231 -10.279 15.293 1.00 0.51 C ATOM 578 OG1 THR A 36 15.945 -11.192 14.472 1.00 0.69 O ATOM 579 CG2 THR A 36 14.369 -11.052 16.292 1.00 0.80 C ATOM 0 H THR A 36 13.555 -11.256 13.700 1.00 0.50 H new ATOM 0 HA THR A 36 13.808 -8.681 15.047 1.00 0.50 H new ATOM 0 HB THR A 36 15.939 -9.651 15.834 1.00 0.51 H new ATOM 0 HG1 THR A 36 16.736 -10.748 14.101 1.00 0.69 H new ATOM 0 HG21 THR A 36 15.007 -11.678 16.916 1.00 0.80 H new ATOM 0 HG22 THR A 36 13.823 -10.349 16.921 1.00 0.80 H new ATOM 0 HG23 THR A 36 13.661 -11.681 15.752 1.00 0.80 H new ATOM 587 N ALA A 37 14.757 -8.634 12.161 1.00 0.48 N ATOM 588 CA ALA A 37 15.538 -7.924 11.107 1.00 0.48 C ATOM 589 C ALA A 37 15.150 -6.452 11.089 1.00 0.55 C ATOM 590 O ALA A 37 14.750 -5.930 10.077 1.00 1.10 O ATOM 591 CB ALA A 37 15.225 -8.531 9.747 1.00 0.42 C ATOM 0 H ALA A 37 13.899 -9.080 11.837 1.00 0.48 H new ATOM 0 HA ALA A 37 16.602 -8.024 11.322 1.00 0.48 H new ATOM 0 HB1 ALA A 37 15.796 -8.012 8.977 1.00 0.42 H new ATOM 0 HB2 ALA A 37 15.495 -9.587 9.749 1.00 0.42 H new ATOM 0 HB3 ALA A 37 14.160 -8.429 9.540 1.00 0.42 H new ATOM 597 N THR A 38 15.334 -5.779 12.188 1.00 0.45 N ATOM 598 CA THR A 38 15.027 -4.314 12.270 1.00 0.46 C ATOM 599 C THR A 38 13.735 -3.955 11.515 1.00 0.40 C ATOM 600 O THR A 38 13.151 -4.746 10.808 1.00 0.36 O ATOM 601 CB THR A 38 16.194 -3.528 11.667 1.00 0.48 C ATOM 602 OG1 THR A 38 16.309 -3.838 10.285 1.00 0.66 O ATOM 603 CG2 THR A 38 17.490 -3.905 12.386 1.00 0.66 C ATOM 0 H THR A 38 15.691 -6.185 13.053 1.00 0.45 H new ATOM 0 HA THR A 38 14.884 -4.056 13.319 1.00 0.46 H new ATOM 0 HB THR A 38 16.013 -2.460 11.785 1.00 0.48 H new ATOM 0 HG1 THR A 38 17.055 -3.334 9.898 1.00 0.66 H new ATOM 0 HG21 THR A 38 18.321 -3.345 11.956 1.00 0.66 H new ATOM 0 HG22 THR A 38 17.401 -3.666 13.446 1.00 0.66 H new ATOM 0 HG23 THR A 38 17.673 -4.973 12.269 1.00 0.66 H new ATOM 611 N ILE A 39 13.282 -2.745 11.668 1.00 0.47 N ATOM 612 CA ILE A 39 12.048 -2.315 10.955 1.00 0.45 C ATOM 613 C ILE A 39 12.401 -1.988 9.497 1.00 0.40 C ATOM 614 O ILE A 39 11.591 -2.124 8.602 1.00 0.38 O ATOM 615 CB ILE A 39 11.471 -1.073 11.645 1.00 0.55 C ATOM 616 CG1 ILE A 39 10.920 -1.475 13.017 1.00 0.73 C ATOM 617 CG2 ILE A 39 10.341 -0.481 10.797 1.00 0.53 C ATOM 618 CD1 ILE A 39 10.520 -0.224 13.803 1.00 0.73 C ATOM 0 H ILE A 39 13.713 -2.033 12.257 1.00 0.47 H new ATOM 0 HA ILE A 39 11.306 -3.113 10.978 1.00 0.45 H new ATOM 0 HB ILE A 39 12.256 -0.326 11.763 1.00 0.55 H new ATOM 0 HG12 ILE A 39 10.057 -2.130 12.895 1.00 0.73 H new ATOM 0 HG13 ILE A 39 11.672 -2.038 13.570 1.00 0.73 H new ATOM 0 HG21 ILE A 39 9.937 0.401 11.294 1.00 0.53 H new ATOM 0 HG22 ILE A 39 10.730 -0.200 9.818 1.00 0.53 H new ATOM 0 HG23 ILE A 39 9.551 -1.222 10.674 1.00 0.53 H new ATOM 0 HD11 ILE A 39 10.129 -0.516 14.778 1.00 0.73 H new ATOM 0 HD12 ILE A 39 11.393 0.415 13.939 1.00 0.73 H new ATOM 0 HD13 ILE A 39 9.753 0.321 13.253 1.00 0.73 H new ATOM 630 N GLN A 40 13.602 -1.529 9.266 1.00 0.42 N ATOM 631 CA GLN A 40 14.022 -1.154 7.883 1.00 0.43 C ATOM 632 C GLN A 40 13.992 -2.366 6.947 1.00 0.35 C ATOM 633 O GLN A 40 13.774 -2.231 5.759 1.00 0.37 O ATOM 634 CB GLN A 40 15.446 -0.594 7.932 1.00 0.53 C ATOM 635 CG GLN A 40 15.780 0.082 6.601 1.00 1.38 C ATOM 636 CD GLN A 40 17.233 0.561 6.625 1.00 1.91 C ATOM 637 OE1 GLN A 40 17.975 0.245 7.534 1.00 2.54 O ATOM 638 NE2 GLN A 40 17.675 1.316 5.656 1.00 2.43 N ATOM 0 H GLN A 40 14.316 -1.397 9.982 1.00 0.42 H new ATOM 0 HA GLN A 40 13.327 -0.407 7.500 1.00 0.43 H new ATOM 0 HB2 GLN A 40 15.537 0.123 8.748 1.00 0.53 H new ATOM 0 HB3 GLN A 40 16.156 -1.397 8.132 1.00 0.53 H new ATOM 0 HG2 GLN A 40 15.629 -0.616 5.778 1.00 1.38 H new ATOM 0 HG3 GLN A 40 15.110 0.925 6.430 1.00 1.38 H new ATOM 0 HE21 GLN A 40 17.053 1.582 4.892 1.00 2.43 H new ATOM 0 HE22 GLN A 40 18.642 1.640 5.662 1.00 2.43 H new ATOM 647 N SER A 41 14.217 -3.545 7.455 1.00 0.31 N ATOM 648 CA SER A 41 14.208 -4.743 6.564 1.00 0.28 C ATOM 649 C SER A 41 12.767 -5.090 6.191 1.00 0.24 C ATOM 650 O SER A 41 12.448 -5.309 5.039 1.00 0.25 O ATOM 651 CB SER A 41 14.863 -5.930 7.279 1.00 0.29 C ATOM 652 OG SER A 41 15.933 -5.456 8.087 1.00 1.32 O ATOM 0 H SER A 41 14.405 -3.733 8.440 1.00 0.31 H new ATOM 0 HA SER A 41 14.772 -4.523 5.657 1.00 0.28 H new ATOM 0 HB2 SER A 41 14.129 -6.449 7.895 1.00 0.29 H new ATOM 0 HB3 SER A 41 15.234 -6.650 6.549 1.00 0.29 H new ATOM 0 HG SER A 41 15.588 -5.194 8.966 1.00 1.32 H new ATOM 658 N ARG A 42 11.893 -5.139 7.156 1.00 0.22 N ATOM 659 CA ARG A 42 10.475 -5.466 6.853 1.00 0.21 C ATOM 660 C ARG A 42 9.911 -4.393 5.925 1.00 0.20 C ATOM 661 O ARG A 42 9.173 -4.678 5.003 1.00 0.20 O ATOM 662 CB ARG A 42 9.671 -5.502 8.155 1.00 0.24 C ATOM 663 CG ARG A 42 10.275 -6.547 9.096 1.00 0.52 C ATOM 664 CD ARG A 42 9.500 -6.559 10.414 1.00 0.82 C ATOM 665 NE ARG A 42 8.138 -7.119 10.185 1.00 1.50 N ATOM 666 CZ ARG A 42 7.417 -7.513 11.198 1.00 1.92 C ATOM 667 NH1 ARG A 42 7.892 -7.425 12.411 1.00 1.83 N ATOM 668 NH2 ARG A 42 6.222 -7.999 10.999 1.00 2.91 N ATOM 0 H ARG A 42 12.100 -4.967 8.140 1.00 0.22 H new ATOM 0 HA ARG A 42 10.411 -6.441 6.369 1.00 0.21 H new ATOM 0 HB2 ARG A 42 9.681 -4.520 8.629 1.00 0.24 H new ATOM 0 HB3 ARG A 42 8.629 -5.744 7.945 1.00 0.24 H new ATOM 0 HG2 ARG A 42 10.239 -7.533 8.632 1.00 0.52 H new ATOM 0 HG3 ARG A 42 11.325 -6.320 9.282 1.00 0.52 H new ATOM 0 HD2 ARG A 42 10.031 -7.157 11.155 1.00 0.82 H new ATOM 0 HD3 ARG A 42 9.426 -5.548 10.814 1.00 0.82 H new ATOM 0 HE ARG A 42 7.770 -7.194 9.237 1.00 1.50 H new ATOM 0 HH11 ARG A 42 8.827 -7.048 12.566 1.00 1.83 H new ATOM 0 HH12 ARG A 42 7.328 -7.733 13.203 1.00 1.83 H new ATOM 0 HH21 ARG A 42 5.852 -8.071 10.051 1.00 2.91 H new ATOM 0 HH22 ARG A 42 5.658 -8.307 11.791 1.00 2.91 H new ATOM 682 N PHE A 43 10.248 -3.157 6.170 1.00 0.22 N ATOM 683 CA PHE A 43 9.731 -2.058 5.310 1.00 0.24 C ATOM 684 C PHE A 43 10.046 -2.352 3.842 1.00 0.23 C ATOM 685 O PHE A 43 9.177 -2.297 2.994 1.00 0.23 O ATOM 686 CB PHE A 43 10.390 -0.738 5.721 1.00 0.28 C ATOM 687 CG PHE A 43 9.629 0.416 5.113 1.00 0.38 C ATOM 688 CD1 PHE A 43 9.950 0.869 3.828 1.00 1.18 C ATOM 689 CD2 PHE A 43 8.598 1.031 5.835 1.00 1.40 C ATOM 690 CE1 PHE A 43 9.242 1.938 3.266 1.00 1.22 C ATOM 691 CE2 PHE A 43 7.890 2.099 5.272 1.00 1.48 C ATOM 692 CZ PHE A 43 8.211 2.552 3.987 1.00 0.70 C ATOM 0 H PHE A 43 10.860 -2.861 6.930 1.00 0.22 H new ATOM 0 HA PHE A 43 8.651 -1.982 5.434 1.00 0.24 H new ATOM 0 HB2 PHE A 43 10.401 -0.648 6.807 1.00 0.28 H new ATOM 0 HB3 PHE A 43 11.428 -0.718 5.389 1.00 0.28 H new ATOM 0 HD1 PHE A 43 10.744 0.394 3.270 1.00 1.18 H new ATOM 0 HD2 PHE A 43 8.349 0.681 6.826 1.00 1.40 H new ATOM 0 HE1 PHE A 43 9.491 2.289 2.276 1.00 1.22 H new ATOM 0 HE2 PHE A 43 7.096 2.574 5.829 1.00 1.48 H new ATOM 0 HZ PHE A 43 7.663 3.375 3.552 1.00 0.70 H new ATOM 702 N ASN A 44 11.277 -2.655 3.522 1.00 0.24 N ATOM 703 CA ASN A 44 11.628 -2.939 2.100 1.00 0.24 C ATOM 704 C ASN A 44 11.024 -4.277 1.669 1.00 0.22 C ATOM 705 O ASN A 44 10.543 -4.422 0.564 1.00 0.23 O ATOM 706 CB ASN A 44 13.152 -3.003 1.961 1.00 0.25 C ATOM 707 CG ASN A 44 13.752 -1.627 2.255 1.00 0.95 C ATOM 708 OD1 ASN A 44 13.382 -0.982 3.328 1.00 1.73 O flip ATOM 709 ND2 ASN A 44 14.569 -1.134 1.502 1.00 1.67 N flip ATOM 0 H ASN A 44 12.052 -2.718 4.182 1.00 0.24 H new ATOM 0 HA ASN A 44 11.230 -2.147 1.466 1.00 0.24 H new ATOM 0 HB2 ASN A 44 13.559 -3.743 2.650 1.00 0.25 H new ATOM 0 HB3 ASN A 44 13.422 -3.321 0.954 1.00 0.25 H new ATOM 0 HD21 ASN A 44 14.859 -1.637 0.663 1.00 1.67 H new ATOM 0 HD22 ASN A 44 14.965 -0.217 1.709 1.00 1.67 H new ATOM 716 N TYR A 45 11.046 -5.260 2.523 1.00 0.21 N ATOM 717 CA TYR A 45 10.470 -6.578 2.138 1.00 0.20 C ATOM 718 C TYR A 45 9.012 -6.390 1.721 1.00 0.21 C ATOM 719 O TYR A 45 8.563 -6.933 0.732 1.00 0.22 O ATOM 720 CB TYR A 45 10.538 -7.538 3.325 1.00 0.20 C ATOM 721 CG TYR A 45 10.046 -8.902 2.893 1.00 0.21 C ATOM 722 CD1 TYR A 45 10.787 -9.649 1.968 1.00 1.33 C ATOM 723 CD2 TYR A 45 8.852 -9.421 3.414 1.00 1.12 C ATOM 724 CE1 TYR A 45 10.336 -10.911 1.564 1.00 1.43 C ATOM 725 CE2 TYR A 45 8.402 -10.684 3.009 1.00 1.05 C ATOM 726 CZ TYR A 45 9.144 -11.428 2.084 1.00 0.43 C ATOM 727 OH TYR A 45 8.701 -12.673 1.685 1.00 0.57 O ATOM 0 H TYR A 45 11.435 -5.210 3.465 1.00 0.21 H new ATOM 0 HA TYR A 45 11.040 -6.992 1.307 1.00 0.20 H new ATOM 0 HB2 TYR A 45 11.562 -7.608 3.693 1.00 0.20 H new ATOM 0 HB3 TYR A 45 9.929 -7.162 4.147 1.00 0.20 H new ATOM 0 HD1 TYR A 45 11.707 -9.251 1.566 1.00 1.33 H new ATOM 0 HD2 TYR A 45 8.279 -8.847 4.127 1.00 1.12 H new ATOM 0 HE1 TYR A 45 10.908 -11.486 0.851 1.00 1.43 H new ATOM 0 HE2 TYR A 45 7.483 -11.084 3.410 1.00 1.05 H new ATOM 0 HH TYR A 45 7.859 -12.882 2.141 1.00 0.57 H new ATOM 737 N ALA A 46 8.269 -5.623 2.469 1.00 0.22 N ATOM 738 CA ALA A 46 6.841 -5.402 2.114 1.00 0.24 C ATOM 739 C ALA A 46 6.757 -4.657 0.783 1.00 0.25 C ATOM 740 O ALA A 46 5.839 -4.847 0.016 1.00 0.28 O ATOM 741 CB ALA A 46 6.167 -4.567 3.205 1.00 0.26 C ATOM 0 H ALA A 46 8.589 -5.141 3.309 1.00 0.22 H new ATOM 0 HA ALA A 46 6.336 -6.364 2.027 1.00 0.24 H new ATOM 0 HB1 ALA A 46 5.121 -4.405 2.945 1.00 0.26 H new ATOM 0 HB2 ALA A 46 6.227 -5.095 4.157 1.00 0.26 H new ATOM 0 HB3 ALA A 46 6.672 -3.605 3.291 1.00 0.26 H new ATOM 747 N TRP A 47 7.706 -3.808 0.502 1.00 0.26 N ATOM 748 CA TRP A 47 7.667 -3.048 -0.779 1.00 0.29 C ATOM 749 C TRP A 47 7.740 -4.018 -1.964 1.00 0.29 C ATOM 750 O TRP A 47 6.983 -3.907 -2.908 1.00 0.29 O ATOM 751 CB TRP A 47 8.842 -2.063 -0.822 1.00 0.33 C ATOM 752 CG TRP A 47 8.899 -1.379 -2.153 1.00 0.34 C ATOM 753 CD1 TRP A 47 9.936 -1.463 -3.017 1.00 0.38 C ATOM 754 CD2 TRP A 47 7.912 -0.506 -2.782 1.00 0.35 C ATOM 755 NE1 TRP A 47 9.651 -0.703 -4.135 1.00 0.40 N ATOM 756 CE2 TRP A 47 8.415 -0.095 -4.041 1.00 0.38 C ATOM 757 CE3 TRP A 47 6.643 -0.035 -2.392 1.00 0.36 C ATOM 758 CZ2 TRP A 47 7.687 0.749 -4.882 1.00 0.42 C ATOM 759 CZ3 TRP A 47 5.909 0.814 -3.236 1.00 0.42 C ATOM 760 CH2 TRP A 47 6.430 1.204 -4.478 1.00 0.44 C ATOM 0 H TRP A 47 8.506 -3.608 1.103 1.00 0.26 H new ATOM 0 HA TRP A 47 6.732 -2.491 -0.844 1.00 0.29 H new ATOM 0 HB2 TRP A 47 8.734 -1.323 -0.029 1.00 0.33 H new ATOM 0 HB3 TRP A 47 9.776 -2.593 -0.638 1.00 0.33 H new ATOM 0 HD1 TRP A 47 10.840 -2.032 -2.859 1.00 0.38 H new ATOM 0 HE1 TRP A 47 10.278 -0.603 -4.933 1.00 0.40 H new ATOM 0 HE3 TRP A 47 6.232 -0.329 -1.438 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 8.093 1.048 -5.837 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 4.937 1.169 -2.927 1.00 0.42 H new ATOM 0 HH2 TRP A 47 5.859 1.856 -5.122 1.00 0.44 H new ATOM 771 N GLY A 48 8.644 -4.961 -1.937 1.00 0.29 N ATOM 772 CA GLY A 48 8.752 -5.916 -3.078 1.00 0.30 C ATOM 773 C GLY A 48 7.418 -6.634 -3.278 1.00 0.27 C ATOM 774 O GLY A 48 6.987 -6.864 -4.391 1.00 0.29 O ATOM 0 H GLY A 48 9.309 -5.111 -1.178 1.00 0.29 H new ATOM 0 HA2 GLY A 48 9.028 -5.382 -3.987 1.00 0.30 H new ATOM 0 HA3 GLY A 48 9.541 -6.642 -2.883 1.00 0.30 H new ATOM 778 N LEU A 49 6.765 -6.998 -2.212 1.00 0.25 N ATOM 779 CA LEU A 49 5.464 -7.709 -2.345 1.00 0.24 C ATOM 780 C LEU A 49 4.420 -6.771 -2.955 1.00 0.24 C ATOM 781 O LEU A 49 3.514 -7.200 -3.641 1.00 0.29 O ATOM 782 CB LEU A 49 5.002 -8.175 -0.964 1.00 0.23 C ATOM 783 CG LEU A 49 5.969 -9.239 -0.422 1.00 0.23 C ATOM 784 CD1 LEU A 49 5.695 -9.461 1.071 1.00 0.24 C ATOM 785 CD2 LEU A 49 5.783 -10.572 -1.178 1.00 0.26 C ATOM 0 H LEU A 49 7.075 -6.834 -1.254 1.00 0.25 H new ATOM 0 HA LEU A 49 5.585 -8.573 -2.998 1.00 0.24 H new ATOM 0 HB2 LEU A 49 4.959 -7.327 -0.280 1.00 0.23 H new ATOM 0 HB3 LEU A 49 3.994 -8.585 -1.027 1.00 0.23 H new ATOM 0 HG LEU A 49 6.992 -8.891 -0.566 1.00 0.23 H new ATOM 0 HD11 LEU A 49 6.380 -10.216 1.458 1.00 0.24 H new ATOM 0 HD12 LEU A 49 5.843 -8.526 1.611 1.00 0.24 H new ATOM 0 HD13 LEU A 49 4.668 -9.800 1.206 1.00 0.24 H new ATOM 0 HD21 LEU A 49 6.475 -11.315 -0.782 1.00 0.26 H new ATOM 0 HD22 LEU A 49 4.760 -10.924 -1.048 1.00 0.26 H new ATOM 0 HD23 LEU A 49 5.982 -10.420 -2.239 1.00 0.26 H new ATOM 797 N ILE A 50 4.538 -5.494 -2.718 1.00 0.24 N ATOM 798 CA ILE A 50 3.550 -4.538 -3.294 1.00 0.26 C ATOM 799 C ILE A 50 3.713 -4.499 -4.816 1.00 0.27 C ATOM 800 O ILE A 50 2.762 -4.304 -5.546 1.00 0.29 O ATOM 801 CB ILE A 50 3.799 -3.141 -2.713 1.00 0.28 C ATOM 802 CG1 ILE A 50 3.527 -3.148 -1.189 1.00 0.32 C ATOM 803 CG2 ILE A 50 2.894 -2.120 -3.417 1.00 0.32 C ATOM 804 CD1 ILE A 50 2.046 -2.886 -0.889 1.00 0.73 C ATOM 0 H ILE A 50 5.274 -5.071 -2.152 1.00 0.24 H new ATOM 0 HA ILE A 50 2.538 -4.859 -3.046 1.00 0.26 H new ATOM 0 HB ILE A 50 4.839 -2.860 -2.878 1.00 0.28 H new ATOM 0 HG12 ILE A 50 3.821 -4.110 -0.769 1.00 0.32 H new ATOM 0 HG13 ILE A 50 4.139 -2.388 -0.704 1.00 0.32 H new ATOM 0 HG21 ILE A 50 3.073 -1.128 -3.002 1.00 0.32 H new ATOM 0 HG22 ILE A 50 3.116 -2.112 -4.484 1.00 0.32 H new ATOM 0 HG23 ILE A 50 1.850 -2.394 -3.265 1.00 0.32 H new ATOM 0 HD11 ILE A 50 1.886 -2.897 0.189 1.00 0.73 H new ATOM 0 HD12 ILE A 50 1.760 -1.913 -1.289 1.00 0.73 H new ATOM 0 HD13 ILE A 50 1.438 -3.662 -1.354 1.00 0.73 H new ATOM 816 N LYS A 51 4.913 -4.675 -5.301 1.00 0.28 N ATOM 817 CA LYS A 51 5.152 -4.643 -6.775 1.00 0.31 C ATOM 818 C LYS A 51 4.646 -5.943 -7.400 1.00 0.31 C ATOM 819 O LYS A 51 4.542 -6.066 -8.604 1.00 0.36 O ATOM 820 CB LYS A 51 6.661 -4.512 -7.033 1.00 0.37 C ATOM 821 CG LYS A 51 7.253 -3.328 -6.228 1.00 0.72 C ATOM 822 CD LYS A 51 7.142 -1.998 -7.025 1.00 0.79 C ATOM 823 CE LYS A 51 8.508 -1.610 -7.613 1.00 0.87 C ATOM 824 NZ LYS A 51 8.417 -0.261 -8.239 1.00 1.58 N ATOM 0 H LYS A 51 5.745 -4.841 -4.735 1.00 0.28 H new ATOM 0 HA LYS A 51 4.624 -3.797 -7.216 1.00 0.31 H new ATOM 0 HB2 LYS A 51 7.165 -5.437 -6.752 1.00 0.37 H new ATOM 0 HB3 LYS A 51 6.841 -4.361 -8.097 1.00 0.37 H new ATOM 0 HG2 LYS A 51 6.727 -3.231 -5.278 1.00 0.72 H new ATOM 0 HG3 LYS A 51 8.298 -3.530 -5.995 1.00 0.72 H new ATOM 0 HD2 LYS A 51 6.412 -2.107 -7.827 1.00 0.79 H new ATOM 0 HD3 LYS A 51 6.782 -1.204 -6.371 1.00 0.79 H new ATOM 0 HE2 LYS A 51 9.265 -1.608 -6.829 1.00 0.87 H new ATOM 0 HE3 LYS A 51 8.819 -2.346 -8.355 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 9.346 0.008 -8.622 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 7.718 -0.282 -9.009 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 8.123 0.434 -7.524 1.00 1.58 H new ATOM 838 N SER A 52 4.337 -6.915 -6.589 1.00 0.32 N ATOM 839 CA SER A 52 3.844 -8.212 -7.129 1.00 0.34 C ATOM 840 C SER A 52 2.554 -7.987 -7.923 1.00 0.35 C ATOM 841 O SER A 52 1.816 -7.053 -7.681 1.00 0.36 O ATOM 842 CB SER A 52 3.567 -9.165 -5.970 1.00 0.36 C ATOM 843 OG SER A 52 2.483 -8.661 -5.202 1.00 1.14 O ATOM 0 H SER A 52 4.405 -6.867 -5.572 1.00 0.32 H new ATOM 0 HA SER A 52 4.599 -8.641 -7.787 1.00 0.34 H new ATOM 0 HB2 SER A 52 3.329 -10.159 -6.349 1.00 0.36 H new ATOM 0 HB3 SER A 52 4.455 -9.266 -5.346 1.00 0.36 H new ATOM 0 HG SER A 52 2.728 -7.792 -4.821 1.00 1.14 H new ATOM 849 N THR A 53 2.282 -8.841 -8.875 1.00 0.38 N ATOM 850 CA THR A 53 1.044 -8.686 -9.697 1.00 0.41 C ATOM 851 C THR A 53 -0.122 -9.422 -9.029 1.00 0.40 C ATOM 852 O THR A 53 -1.263 -9.018 -9.138 1.00 0.52 O ATOM 853 CB THR A 53 1.282 -9.268 -11.091 1.00 0.46 C ATOM 854 OG1 THR A 53 1.606 -10.647 -10.979 1.00 0.51 O ATOM 855 CG2 THR A 53 2.435 -8.523 -11.764 1.00 0.49 C ATOM 0 H THR A 53 2.865 -9.641 -9.120 1.00 0.38 H new ATOM 0 HA THR A 53 0.799 -7.627 -9.779 1.00 0.41 H new ATOM 0 HB THR A 53 0.379 -9.156 -11.692 1.00 0.46 H new ATOM 0 HG1 THR A 53 1.757 -11.021 -11.872 1.00 0.51 H new ATOM 0 HG21 THR A 53 2.605 -8.937 -12.758 1.00 0.49 H new ATOM 0 HG22 THR A 53 2.184 -7.466 -11.850 1.00 0.49 H new ATOM 0 HG23 THR A 53 3.339 -8.634 -11.165 1.00 0.49 H new ATOM 863 N ASP A 54 0.148 -10.496 -8.336 1.00 0.39 N ATOM 864 CA ASP A 54 -0.956 -11.244 -7.665 1.00 0.38 C ATOM 865 C ASP A 54 -1.428 -10.458 -6.438 1.00 0.37 C ATOM 866 O ASP A 54 -0.691 -9.702 -5.840 1.00 0.36 O ATOM 867 CB ASP A 54 -0.473 -12.638 -7.253 1.00 0.38 C ATOM 868 CG ASP A 54 -1.669 -13.533 -6.927 1.00 1.31 C ATOM 869 OD1 ASP A 54 -2.601 -13.045 -6.310 1.00 2.18 O ATOM 870 OD2 ASP A 54 -1.630 -14.695 -7.297 1.00 1.86 O ATOM 0 H ASP A 54 1.081 -10.887 -8.205 1.00 0.39 H new ATOM 0 HA ASP A 54 -1.790 -11.360 -8.358 1.00 0.38 H new ATOM 0 HB2 ASP A 54 0.114 -13.081 -8.058 1.00 0.38 H new ATOM 0 HB3 ASP A 54 0.182 -12.563 -6.385 1.00 0.38 H new ATOM 875 N VAL A 55 -2.675 -10.637 -6.082 1.00 0.37 N ATOM 876 CA VAL A 55 -3.253 -9.913 -4.915 1.00 0.37 C ATOM 877 C VAL A 55 -2.805 -10.573 -3.607 1.00 0.35 C ATOM 878 O VAL A 55 -2.875 -9.985 -2.559 1.00 0.35 O ATOM 879 CB VAL A 55 -4.794 -9.933 -5.015 1.00 0.39 C ATOM 880 CG1 VAL A 55 -5.357 -11.250 -4.459 1.00 0.42 C ATOM 881 CG2 VAL A 55 -5.380 -8.761 -4.218 1.00 0.40 C ATOM 0 H VAL A 55 -3.324 -11.263 -6.559 1.00 0.37 H new ATOM 0 HA VAL A 55 -2.901 -8.882 -4.921 1.00 0.37 H new ATOM 0 HB VAL A 55 -5.071 -9.844 -6.066 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -6.444 -11.243 -4.539 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -4.956 -12.087 -5.031 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -5.071 -11.355 -3.413 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -6.467 -8.779 -4.291 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -5.085 -8.849 -3.172 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -5.004 -7.821 -4.623 1.00 0.40 H new ATOM 891 N ASN A 56 -2.342 -11.785 -3.667 1.00 0.34 N ATOM 892 CA ASN A 56 -1.898 -12.476 -2.422 1.00 0.34 C ATOM 893 C ASN A 56 -0.617 -11.835 -1.879 1.00 0.31 C ATOM 894 O ASN A 56 -0.502 -11.549 -0.701 1.00 0.31 O ATOM 895 CB ASN A 56 -1.626 -13.950 -2.733 1.00 0.36 C ATOM 896 CG ASN A 56 -1.197 -14.670 -1.452 1.00 1.34 C ATOM 897 OD1 ASN A 56 -0.042 -15.010 -1.291 1.00 2.14 O ATOM 898 ND2 ASN A 56 -2.084 -14.916 -0.527 1.00 2.11 N ATOM 0 H ASN A 56 -2.250 -12.331 -4.523 1.00 0.34 H new ATOM 0 HA ASN A 56 -2.684 -12.387 -1.672 1.00 0.34 H new ATOM 0 HB2 ASN A 56 -2.521 -14.417 -3.144 1.00 0.36 H new ATOM 0 HB3 ASN A 56 -0.846 -14.035 -3.490 1.00 0.36 H new ATOM 0 HD21 ASN A 56 -1.807 -15.394 0.331 1.00 2.11 H new ATOM 0 HD22 ASN A 56 -3.054 -14.631 -0.662 1.00 2.11 H new ATOM 905 N ASP A 57 0.355 -11.631 -2.720 1.00 0.30 N ATOM 906 CA ASP A 57 1.638 -11.041 -2.249 1.00 0.30 C ATOM 907 C ASP A 57 1.433 -9.605 -1.738 1.00 0.29 C ATOM 908 O ASP A 57 1.847 -9.269 -0.648 1.00 0.28 O ATOM 909 CB ASP A 57 2.633 -11.038 -3.421 1.00 0.33 C ATOM 910 CG ASP A 57 3.278 -12.421 -3.563 1.00 0.42 C ATOM 911 OD1 ASP A 57 3.898 -12.865 -2.610 1.00 1.09 O ATOM 912 OD2 ASP A 57 3.139 -13.012 -4.621 1.00 1.23 O ATOM 0 H ASP A 57 0.317 -11.848 -3.716 1.00 0.30 H new ATOM 0 HA ASP A 57 2.023 -11.638 -1.423 1.00 0.30 H new ATOM 0 HB2 ASP A 57 2.119 -10.770 -4.344 1.00 0.33 H new ATOM 0 HB3 ASP A 57 3.402 -10.284 -3.254 1.00 0.33 H new ATOM 917 N GLU A 58 0.813 -8.754 -2.508 1.00 0.33 N ATOM 918 CA GLU A 58 0.622 -7.344 -2.047 1.00 0.36 C ATOM 919 C GLU A 58 -0.272 -7.300 -0.803 1.00 0.34 C ATOM 920 O GLU A 58 -0.084 -6.476 0.069 1.00 0.34 O ATOM 921 CB GLU A 58 -0.005 -6.509 -3.167 1.00 0.42 C ATOM 922 CG GLU A 58 -1.233 -7.228 -3.717 1.00 0.92 C ATOM 923 CD GLU A 58 -1.796 -6.447 -4.906 1.00 1.66 C ATOM 924 OE1 GLU A 58 -2.436 -5.434 -4.675 1.00 2.45 O ATOM 925 OE2 GLU A 58 -1.576 -6.874 -6.027 1.00 2.21 O ATOM 0 H GLU A 58 0.432 -8.968 -3.430 1.00 0.33 H new ATOM 0 HA GLU A 58 1.597 -6.929 -1.790 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -0.286 -5.527 -2.788 1.00 0.42 H new ATOM 0 HB3 GLU A 58 0.721 -6.347 -3.964 1.00 0.42 H new ATOM 0 HG2 GLU A 58 -0.967 -8.239 -4.026 1.00 0.92 H new ATOM 0 HG3 GLU A 58 -1.991 -7.322 -2.939 1.00 0.92 H new ATOM 932 N ARG A 59 -1.232 -8.178 -0.699 1.00 0.33 N ATOM 933 CA ARG A 59 -2.110 -8.169 0.503 1.00 0.34 C ATOM 934 C ARG A 59 -1.254 -8.432 1.743 1.00 0.30 C ATOM 935 O ARG A 59 -1.560 -7.982 2.832 1.00 0.31 O ATOM 936 CB ARG A 59 -3.170 -9.263 0.364 1.00 0.40 C ATOM 937 CG ARG A 59 -4.276 -9.047 1.386 1.00 0.68 C ATOM 938 CD ARG A 59 -5.150 -10.300 1.465 1.00 0.95 C ATOM 939 NE ARG A 59 -6.315 -10.038 2.354 1.00 1.62 N ATOM 940 CZ ARG A 59 -7.347 -10.836 2.328 1.00 2.13 C ATOM 941 NH1 ARG A 59 -7.363 -11.858 1.516 1.00 2.23 N ATOM 942 NH2 ARG A 59 -8.365 -10.610 3.113 1.00 3.12 N ATOM 0 H ARG A 59 -1.445 -8.897 -1.391 1.00 0.33 H new ATOM 0 HA ARG A 59 -2.604 -7.202 0.598 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -3.587 -9.252 -0.643 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -2.715 -10.243 0.510 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -3.845 -8.829 2.363 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -4.882 -8.185 1.105 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -5.494 -10.579 0.469 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -4.568 -11.138 1.848 1.00 0.95 H new ATOM 0 HE ARG A 59 -6.306 -9.235 2.983 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -6.568 -12.033 0.901 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -8.170 -12.481 1.496 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -8.353 -9.810 3.746 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -9.172 -11.233 3.093 1.00 3.12 H new ATOM 956 N LEU A 60 -0.168 -9.139 1.582 1.00 0.28 N ATOM 957 CA LEU A 60 0.720 -9.413 2.746 1.00 0.27 C ATOM 958 C LEU A 60 1.535 -8.153 3.050 1.00 0.25 C ATOM 959 O LEU A 60 1.796 -7.829 4.192 1.00 0.26 O ATOM 960 CB LEU A 60 1.664 -10.575 2.407 1.00 0.29 C ATOM 961 CG LEU A 60 2.687 -10.787 3.534 1.00 0.30 C ATOM 962 CD1 LEU A 60 1.965 -11.016 4.870 1.00 0.32 C ATOM 963 CD2 LEU A 60 3.549 -12.009 3.201 1.00 0.34 C ATOM 0 H LEU A 60 0.142 -9.538 0.696 1.00 0.28 H new ATOM 0 HA LEU A 60 0.123 -9.684 3.617 1.00 0.27 H new ATOM 0 HB2 LEU A 60 1.087 -11.487 2.256 1.00 0.29 H new ATOM 0 HB3 LEU A 60 2.183 -10.368 1.471 1.00 0.29 H new ATOM 0 HG LEU A 60 3.315 -9.901 3.623 1.00 0.30 H new ATOM 0 HD11 LEU A 60 2.701 -11.165 5.660 1.00 0.32 H new ATOM 0 HD12 LEU A 60 1.351 -10.147 5.105 1.00 0.32 H new ATOM 0 HD13 LEU A 60 1.330 -11.899 4.794 1.00 0.32 H new ATOM 0 HD21 LEU A 60 4.278 -12.167 3.996 1.00 0.34 H new ATOM 0 HD22 LEU A 60 2.913 -12.890 3.112 1.00 0.34 H new ATOM 0 HD23 LEU A 60 4.070 -11.841 2.259 1.00 0.34 H new ATOM 975 N GLY A 61 1.938 -7.441 2.033 1.00 0.22 N ATOM 976 CA GLY A 61 2.736 -6.202 2.256 1.00 0.21 C ATOM 977 C GLY A 61 1.869 -5.155 2.958 1.00 0.20 C ATOM 978 O GLY A 61 2.330 -4.429 3.817 1.00 0.21 O ATOM 0 H GLY A 61 1.749 -7.664 1.056 1.00 0.22 H new ATOM 0 HA2 GLY A 61 3.615 -6.427 2.861 1.00 0.21 H new ATOM 0 HA3 GLY A 61 3.096 -5.812 1.304 1.00 0.21 H new ATOM 982 N VAL A 62 0.616 -5.070 2.601 1.00 0.20 N ATOM 983 CA VAL A 62 -0.275 -4.069 3.253 1.00 0.21 C ATOM 984 C VAL A 62 -0.288 -4.328 4.762 1.00 0.22 C ATOM 985 O VAL A 62 -0.080 -3.432 5.556 1.00 0.25 O ATOM 986 CB VAL A 62 -1.700 -4.200 2.661 1.00 0.23 C ATOM 987 CG1 VAL A 62 -2.768 -3.809 3.698 1.00 0.28 C ATOM 988 CG2 VAL A 62 -1.833 -3.289 1.434 1.00 0.31 C ATOM 0 H VAL A 62 0.172 -5.649 1.888 1.00 0.20 H new ATOM 0 HA VAL A 62 0.087 -3.057 3.072 1.00 0.21 H new ATOM 0 HB VAL A 62 -1.856 -5.240 2.375 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -3.759 -3.910 3.256 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -2.689 -4.464 4.566 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -2.613 -2.776 4.008 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -2.836 -3.382 1.019 1.00 0.31 H new ATOM 0 HG22 VAL A 62 -1.657 -2.254 1.728 1.00 0.31 H new ATOM 0 HG23 VAL A 62 -1.100 -3.582 0.682 1.00 0.31 H new ATOM 998 N LYS A 63 -0.535 -5.542 5.164 1.00 0.24 N ATOM 999 CA LYS A 63 -0.563 -5.840 6.620 1.00 0.28 C ATOM 1000 C LYS A 63 0.763 -5.409 7.249 1.00 0.26 C ATOM 1001 O LYS A 63 0.792 -4.743 8.265 1.00 0.29 O ATOM 1002 CB LYS A 63 -0.765 -7.346 6.823 1.00 0.33 C ATOM 1003 CG LYS A 63 -0.481 -7.721 8.286 1.00 0.47 C ATOM 1004 CD LYS A 63 -0.967 -9.143 8.574 1.00 0.58 C ATOM 1005 CE LYS A 63 -0.120 -10.164 7.804 1.00 1.60 C ATOM 1006 NZ LYS A 63 1.328 -9.872 8.005 1.00 2.36 N ATOM 0 H LYS A 63 -0.718 -6.336 4.551 1.00 0.24 H new ATOM 0 HA LYS A 63 -1.381 -5.297 7.093 1.00 0.28 H new ATOM 0 HB2 LYS A 63 -1.786 -7.623 6.559 1.00 0.33 H new ATOM 0 HB3 LYS A 63 -0.102 -7.903 6.161 1.00 0.33 H new ATOM 0 HG2 LYS A 63 0.588 -7.647 8.486 1.00 0.47 H new ATOM 0 HG3 LYS A 63 -0.980 -7.017 8.952 1.00 0.47 H new ATOM 0 HD2 LYS A 63 -0.908 -9.345 9.644 1.00 0.58 H new ATOM 0 HD3 LYS A 63 -2.014 -9.241 8.289 1.00 0.58 H new ATOM 0 HE2 LYS A 63 -0.348 -11.173 8.148 1.00 1.60 H new ATOM 0 HE3 LYS A 63 -0.364 -10.126 6.742 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 1.880 -10.742 7.867 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 1.636 -9.154 7.318 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 1.480 -9.515 8.970 1.00 2.36 H new ATOM 1020 N ILE A 64 1.860 -5.792 6.661 1.00 0.25 N ATOM 1021 CA ILE A 64 3.176 -5.412 7.235 1.00 0.25 C ATOM 1022 C ILE A 64 3.272 -3.884 7.300 1.00 0.22 C ATOM 1023 O ILE A 64 3.661 -3.316 8.300 1.00 0.22 O ATOM 1024 CB ILE A 64 4.296 -5.974 6.346 1.00 0.28 C ATOM 1025 CG1 ILE A 64 4.379 -7.494 6.531 1.00 0.33 C ATOM 1026 CG2 ILE A 64 5.639 -5.339 6.729 1.00 0.32 C ATOM 1027 CD1 ILE A 64 5.182 -8.110 5.381 1.00 0.35 C ATOM 0 H ILE A 64 1.901 -6.351 5.809 1.00 0.25 H new ATOM 0 HA ILE A 64 3.279 -5.821 8.240 1.00 0.25 H new ATOM 0 HB ILE A 64 4.076 -5.742 5.304 1.00 0.28 H new ATOM 0 HG12 ILE A 64 4.852 -7.729 7.485 1.00 0.33 H new ATOM 0 HG13 ILE A 64 3.377 -7.922 6.558 1.00 0.33 H new ATOM 0 HG21 ILE A 64 6.427 -5.743 6.094 1.00 0.32 H new ATOM 0 HG22 ILE A 64 5.582 -4.259 6.594 1.00 0.32 H new ATOM 0 HG23 ILE A 64 5.863 -5.563 7.772 1.00 0.32 H new ATOM 0 HD11 ILE A 64 5.239 -9.190 5.515 1.00 0.35 H new ATOM 0 HD12 ILE A 64 4.690 -7.887 4.434 1.00 0.35 H new ATOM 0 HD13 ILE A 64 6.188 -7.691 5.375 1.00 0.35 H new ATOM 1039 N LEU A 65 2.923 -3.220 6.233 1.00 0.20 N ATOM 1040 CA LEU A 65 2.994 -1.732 6.217 1.00 0.19 C ATOM 1041 C LEU A 65 2.126 -1.154 7.337 1.00 0.19 C ATOM 1042 O LEU A 65 2.434 -0.119 7.895 1.00 0.20 O ATOM 1043 CB LEU A 65 2.492 -1.209 4.864 1.00 0.22 C ATOM 1044 CG LEU A 65 3.567 -1.417 3.779 1.00 0.29 C ATOM 1045 CD1 LEU A 65 2.906 -1.423 2.398 1.00 0.69 C ATOM 1046 CD2 LEU A 65 4.604 -0.283 3.825 1.00 0.42 C ATOM 0 H LEU A 65 2.590 -3.646 5.368 1.00 0.20 H new ATOM 0 HA LEU A 65 4.028 -1.424 6.369 1.00 0.19 H new ATOM 0 HB2 LEU A 65 1.576 -1.728 4.583 1.00 0.22 H new ATOM 0 HB3 LEU A 65 2.246 -0.150 4.944 1.00 0.22 H new ATOM 0 HG LEU A 65 4.065 -2.369 3.963 1.00 0.29 H new ATOM 0 HD11 LEU A 65 3.667 -1.570 1.631 1.00 0.69 H new ATOM 0 HD12 LEU A 65 2.178 -2.232 2.347 1.00 0.69 H new ATOM 0 HD13 LEU A 65 2.402 -0.471 2.232 1.00 0.69 H new ATOM 0 HD21 LEU A 65 5.356 -0.446 3.052 1.00 0.42 H new ATOM 0 HD22 LEU A 65 4.107 0.672 3.653 1.00 0.42 H new ATOM 0 HD23 LEU A 65 5.086 -0.270 4.803 1.00 0.42 H new ATOM 1058 N THR A 66 1.054 -1.812 7.687 1.00 0.21 N ATOM 1059 CA THR A 66 0.185 -1.299 8.779 1.00 0.25 C ATOM 1060 C THR A 66 0.770 -1.714 10.131 1.00 0.28 C ATOM 1061 O THR A 66 0.573 -1.057 11.134 1.00 0.31 O ATOM 1062 CB THR A 66 -1.222 -1.889 8.617 1.00 0.29 C ATOM 1063 OG1 THR A 66 -1.557 -1.933 7.237 1.00 0.43 O ATOM 1064 CG2 THR A 66 -2.233 -1.021 9.359 1.00 0.36 C ATOM 0 H THR A 66 0.744 -2.685 7.261 1.00 0.21 H new ATOM 0 HA THR A 66 0.131 -0.211 8.732 1.00 0.25 H new ATOM 0 HB THR A 66 -1.242 -2.897 9.031 1.00 0.29 H new ATOM 0 HG1 THR A 66 -1.132 -2.712 6.822 1.00 0.43 H new ATOM 0 HG21 THR A 66 -3.231 -1.443 9.241 1.00 0.36 H new ATOM 0 HG22 THR A 66 -1.976 -0.987 10.418 1.00 0.36 H new ATOM 0 HG23 THR A 66 -2.216 -0.011 8.949 1.00 0.36 H new ATOM 1072 N ASP A 67 1.516 -2.784 10.157 1.00 0.29 N ATOM 1073 CA ASP A 67 2.136 -3.219 11.436 1.00 0.34 C ATOM 1074 C ASP A 67 3.299 -2.277 11.739 1.00 0.32 C ATOM 1075 O ASP A 67 3.441 -1.776 12.837 1.00 0.35 O ATOM 1076 CB ASP A 67 2.651 -4.654 11.305 1.00 0.40 C ATOM 1077 CG ASP A 67 3.360 -5.060 12.599 1.00 1.30 C ATOM 1078 OD1 ASP A 67 4.547 -4.802 12.707 1.00 2.12 O ATOM 1079 OD2 ASP A 67 2.702 -5.620 13.460 1.00 1.94 O ATOM 0 H ASP A 67 1.721 -3.373 9.350 1.00 0.29 H new ATOM 0 HA ASP A 67 1.402 -3.189 12.241 1.00 0.34 H new ATOM 0 HB2 ASP A 67 1.822 -5.332 11.103 1.00 0.40 H new ATOM 0 HB3 ASP A 67 3.338 -4.730 10.462 1.00 0.40 H new ATOM 1084 N ILE A 68 4.124 -2.021 10.761 1.00 0.30 N ATOM 1085 CA ILE A 68 5.273 -1.097 10.964 1.00 0.29 C ATOM 1086 C ILE A 68 4.728 0.297 11.281 1.00 0.27 C ATOM 1087 O ILE A 68 5.219 0.992 12.148 1.00 0.31 O ATOM 1088 CB ILE A 68 6.104 -1.064 9.673 1.00 0.30 C ATOM 1089 CG1 ILE A 68 6.672 -2.470 9.413 1.00 0.34 C ATOM 1090 CG2 ILE A 68 7.252 -0.049 9.807 1.00 0.33 C ATOM 1091 CD1 ILE A 68 7.139 -2.585 7.959 1.00 0.35 C ATOM 0 H ILE A 68 4.050 -2.416 9.823 1.00 0.30 H new ATOM 0 HA ILE A 68 5.902 -1.431 11.789 1.00 0.29 H new ATOM 0 HB ILE A 68 5.472 -0.761 8.838 1.00 0.30 H new ATOM 0 HG12 ILE A 68 7.505 -2.665 10.088 1.00 0.34 H new ATOM 0 HG13 ILE A 68 5.911 -3.223 9.620 1.00 0.34 H new ATOM 0 HG21 ILE A 68 7.834 -0.034 8.886 1.00 0.33 H new ATOM 0 HG22 ILE A 68 6.841 0.943 9.992 1.00 0.33 H new ATOM 0 HG23 ILE A 68 7.896 -0.336 10.639 1.00 0.33 H new ATOM 0 HD11 ILE A 68 7.540 -3.583 7.783 1.00 0.35 H new ATOM 0 HD12 ILE A 68 6.296 -2.410 7.291 1.00 0.35 H new ATOM 0 HD13 ILE A 68 7.915 -1.844 7.766 1.00 0.35 H new ATOM 1103 N TYR A 69 3.696 0.694 10.589 1.00 0.26 N ATOM 1104 CA TYR A 69 3.093 2.029 10.854 1.00 0.26 C ATOM 1105 C TYR A 69 2.655 2.079 12.321 1.00 0.28 C ATOM 1106 O TYR A 69 2.965 3.002 13.048 1.00 0.34 O ATOM 1107 CB TYR A 69 1.879 2.244 9.943 1.00 0.29 C ATOM 1108 CG TYR A 69 1.053 3.409 10.448 1.00 0.27 C ATOM 1109 CD1 TYR A 69 0.061 3.190 11.412 1.00 1.22 C ATOM 1110 CD2 TYR A 69 1.284 4.702 9.963 1.00 1.25 C ATOM 1111 CE1 TYR A 69 -0.701 4.262 11.889 1.00 1.23 C ATOM 1112 CE2 TYR A 69 0.522 5.775 10.441 1.00 1.28 C ATOM 1113 CZ TYR A 69 -0.471 5.555 11.404 1.00 0.38 C ATOM 1114 OH TYR A 69 -1.223 6.611 11.876 1.00 0.47 O ATOM 0 H TYR A 69 3.245 0.152 9.852 1.00 0.26 H new ATOM 0 HA TYR A 69 3.822 2.814 10.653 1.00 0.26 H new ATOM 0 HB2 TYR A 69 2.209 2.437 8.922 1.00 0.29 H new ATOM 0 HB3 TYR A 69 1.270 1.340 9.915 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -0.116 2.193 11.787 1.00 1.22 H new ATOM 0 HD2 TYR A 69 2.050 4.872 9.220 1.00 1.25 H new ATOM 0 HE1 TYR A 69 -1.467 4.092 12.631 1.00 1.23 H new ATOM 0 HE2 TYR A 69 0.700 6.772 10.067 1.00 1.28 H new ATOM 0 HH TYR A 69 -0.936 7.439 11.438 1.00 0.47 H new ATOM 1124 N LYS A 70 1.926 1.088 12.749 1.00 0.31 N ATOM 1125 CA LYS A 70 1.444 1.055 14.157 1.00 0.38 C ATOM 1126 C LYS A 70 2.610 0.722 15.095 1.00 0.38 C ATOM 1127 O LYS A 70 2.601 1.076 16.257 1.00 0.45 O ATOM 1128 CB LYS A 70 0.345 -0.021 14.271 1.00 0.50 C ATOM 1129 CG LYS A 70 -0.747 0.427 15.255 1.00 0.79 C ATOM 1130 CD LYS A 70 -1.834 -0.658 15.368 1.00 0.88 C ATOM 1131 CE LYS A 70 -2.865 -0.499 14.242 1.00 1.50 C ATOM 1132 NZ LYS A 70 -3.816 -1.646 14.276 1.00 2.26 N ATOM 0 H LYS A 70 1.641 0.292 12.178 1.00 0.31 H new ATOM 0 HA LYS A 70 1.039 2.027 14.440 1.00 0.38 H new ATOM 0 HB2 LYS A 70 -0.094 -0.206 13.291 1.00 0.50 H new ATOM 0 HB3 LYS A 70 0.782 -0.961 14.607 1.00 0.50 H new ATOM 0 HG2 LYS A 70 -0.309 0.617 16.235 1.00 0.79 H new ATOM 0 HG3 LYS A 70 -1.191 1.363 14.917 1.00 0.79 H new ATOM 0 HD2 LYS A 70 -1.378 -1.646 15.315 1.00 0.88 H new ATOM 0 HD3 LYS A 70 -2.329 -0.587 16.336 1.00 0.88 H new ATOM 0 HE2 LYS A 70 -3.406 0.440 14.359 1.00 1.50 H new ATOM 0 HE3 LYS A 70 -2.362 -0.458 13.276 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 -4.515 -1.540 13.514 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 -3.293 -2.535 14.144 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 -4.305 -1.665 15.194 1.00 2.26 H new ATOM 1146 N GLU A 71 3.610 0.040 14.597 1.00 0.40 N ATOM 1147 CA GLU A 71 4.780 -0.330 15.451 1.00 0.52 C ATOM 1148 C GLU A 71 5.965 0.582 15.115 1.00 0.55 C ATOM 1149 O GLU A 71 7.083 0.125 14.984 1.00 1.13 O ATOM 1150 CB GLU A 71 5.165 -1.788 15.148 1.00 0.63 C ATOM 1151 CG GLU A 71 5.999 -2.353 16.305 1.00 0.99 C ATOM 1152 CD GLU A 71 5.097 -2.593 17.518 1.00 1.55 C ATOM 1153 OE1 GLU A 71 3.902 -2.377 17.396 1.00 2.13 O ATOM 1154 OE2 GLU A 71 5.616 -2.989 18.549 1.00 2.27 O ATOM 0 H GLU A 71 3.667 -0.278 13.630 1.00 0.40 H new ATOM 0 HA GLU A 71 4.523 -0.218 16.504 1.00 0.52 H new ATOM 0 HB2 GLU A 71 4.267 -2.390 15.006 1.00 0.63 H new ATOM 0 HB3 GLU A 71 5.733 -1.839 14.219 1.00 0.63 H new ATOM 0 HG2 GLU A 71 6.474 -3.286 16.002 1.00 0.99 H new ATOM 0 HG3 GLU A 71 6.797 -1.658 16.565 1.00 0.99 H new ATOM 1161 N ALA A 72 5.739 1.865 14.986 1.00 0.59 N ATOM 1162 CA ALA A 72 6.884 2.781 14.660 1.00 0.57 C ATOM 1163 C ALA A 72 6.469 4.260 14.715 1.00 0.65 C ATOM 1164 O ALA A 72 6.077 4.834 13.718 1.00 1.23 O ATOM 1165 CB ALA A 72 7.393 2.472 13.246 1.00 0.60 C ATOM 0 H ALA A 72 4.830 2.316 15.089 1.00 0.59 H new ATOM 0 HA ALA A 72 7.663 2.613 15.404 1.00 0.57 H new ATOM 0 HB1 ALA A 72 8.224 3.135 13.006 1.00 0.60 H new ATOM 0 HB2 ALA A 72 7.729 1.436 13.199 1.00 0.60 H new ATOM 0 HB3 ALA A 72 6.587 2.625 12.528 1.00 0.60 H new ATOM 1171 N GLU A 73 6.554 4.889 15.861 1.00 0.71 N ATOM 1172 CA GLU A 73 6.168 6.325 15.949 1.00 0.77 C ATOM 1173 C GLU A 73 7.193 7.175 15.180 1.00 0.65 C ATOM 1174 O GLU A 73 7.789 8.079 15.731 1.00 1.06 O ATOM 1175 CB GLU A 73 6.160 6.749 17.418 1.00 1.08 C ATOM 1176 CG GLU A 73 5.079 5.967 18.165 1.00 1.79 C ATOM 1177 CD GLU A 73 3.699 6.445 17.712 1.00 2.15 C ATOM 1178 OE1 GLU A 73 3.401 7.610 17.916 1.00 2.60 O ATOM 1179 OE2 GLU A 73 2.963 5.638 17.168 1.00 2.62 O ATOM 0 H GLU A 73 6.873 4.470 16.734 1.00 0.71 H new ATOM 0 HA GLU A 73 5.178 6.469 15.517 1.00 0.77 H new ATOM 0 HB2 GLU A 73 7.135 6.563 17.867 1.00 1.08 H new ATOM 0 HB3 GLU A 73 5.971 7.820 17.498 1.00 1.08 H new ATOM 0 HG2 GLU A 73 5.188 4.900 17.971 1.00 1.79 H new ATOM 0 HG3 GLU A 73 5.190 6.109 19.240 1.00 1.79 H new ATOM 1186 N SER A 74 7.416 6.893 13.917 1.00 0.75 N ATOM 1187 CA SER A 74 8.415 7.697 13.145 1.00 0.62 C ATOM 1188 C SER A 74 8.228 7.474 11.639 1.00 0.55 C ATOM 1189 O SER A 74 7.638 8.288 10.956 1.00 0.63 O ATOM 1190 CB SER A 74 9.829 7.274 13.546 1.00 0.82 C ATOM 1191 OG SER A 74 10.770 7.935 12.710 1.00 1.55 O ATOM 0 H SER A 74 6.955 6.149 13.393 1.00 0.75 H new ATOM 0 HA SER A 74 8.266 8.753 13.370 1.00 0.62 H new ATOM 0 HB2 SER A 74 10.014 7.524 14.591 1.00 0.82 H new ATOM 0 HB3 SER A 74 9.938 6.193 13.453 1.00 0.82 H new ATOM 0 HG SER A 74 11.678 7.668 12.965 1.00 1.55 H new ATOM 1197 N ARG A 75 8.740 6.388 11.112 1.00 0.48 N ATOM 1198 CA ARG A 75 8.604 6.118 9.649 1.00 0.45 C ATOM 1199 C ARG A 75 7.136 6.219 9.204 1.00 0.42 C ATOM 1200 O ARG A 75 6.820 5.989 8.053 1.00 0.50 O ATOM 1201 CB ARG A 75 9.130 4.710 9.339 1.00 0.52 C ATOM 1202 CG ARG A 75 10.640 4.636 9.625 1.00 0.81 C ATOM 1203 CD ARG A 75 11.262 3.478 8.838 1.00 1.10 C ATOM 1204 NE ARG A 75 11.246 3.804 7.384 1.00 1.49 N ATOM 1205 CZ ARG A 75 11.989 3.125 6.553 1.00 2.08 C ATOM 1206 NH1 ARG A 75 12.752 2.163 6.994 1.00 2.63 N ATOM 1207 NH2 ARG A 75 11.970 3.411 5.279 1.00 2.72 N ATOM 0 H ARG A 75 9.248 5.675 11.636 1.00 0.48 H new ATOM 0 HA ARG A 75 9.184 6.865 9.106 1.00 0.45 H new ATOM 0 HB2 ARG A 75 8.601 3.974 9.944 1.00 0.52 H new ATOM 0 HB3 ARG A 75 8.937 4.463 8.295 1.00 0.52 H new ATOM 0 HG2 ARG A 75 11.118 5.575 9.347 1.00 0.81 H new ATOM 0 HG3 ARG A 75 10.811 4.495 10.692 1.00 0.81 H new ATOM 0 HD2 ARG A 75 12.285 3.305 9.172 1.00 1.10 H new ATOM 0 HD3 ARG A 75 10.706 2.559 9.022 1.00 1.10 H new ATOM 0 HE ARG A 75 10.654 4.559 7.038 1.00 1.49 H new ATOM 0 HH11 ARG A 75 12.768 1.941 7.989 1.00 2.63 H new ATOM 0 HH12 ARG A 75 13.332 1.633 6.343 1.00 2.63 H new ATOM 0 HH21 ARG A 75 11.375 4.164 4.934 1.00 2.72 H new ATOM 0 HH22 ARG A 75 12.550 2.881 4.629 1.00 2.72 H new ATOM 1221 N ARG A 76 6.235 6.551 10.089 1.00 0.41 N ATOM 1222 CA ARG A 76 4.803 6.654 9.688 1.00 0.47 C ATOM 1223 C ARG A 76 4.663 7.542 8.445 1.00 0.43 C ATOM 1224 O ARG A 76 3.917 7.236 7.537 1.00 0.45 O ATOM 1225 CB ARG A 76 3.995 7.266 10.838 1.00 0.57 C ATOM 1226 CG ARG A 76 4.176 6.425 12.109 1.00 1.08 C ATOM 1227 CD ARG A 76 3.039 6.720 13.093 1.00 1.14 C ATOM 1228 NE ARG A 76 2.802 8.190 13.157 1.00 1.76 N ATOM 1229 CZ ARG A 76 1.702 8.651 13.687 1.00 2.01 C ATOM 1230 NH1 ARG A 76 0.806 7.824 14.155 1.00 1.55 N ATOM 1231 NH2 ARG A 76 1.496 9.938 13.747 1.00 3.05 N ATOM 0 H ARG A 76 6.428 6.755 11.070 1.00 0.41 H new ATOM 0 HA ARG A 76 4.427 5.657 9.459 1.00 0.47 H new ATOM 0 HB2 ARG A 76 4.322 8.290 11.019 1.00 0.57 H new ATOM 0 HB3 ARG A 76 2.940 7.311 10.569 1.00 0.57 H new ATOM 0 HG2 ARG A 76 4.185 5.365 11.856 1.00 1.08 H new ATOM 0 HG3 ARG A 76 5.137 6.650 12.571 1.00 1.08 H new ATOM 0 HD2 ARG A 76 2.130 6.208 12.778 1.00 1.14 H new ATOM 0 HD3 ARG A 76 3.293 6.339 14.082 1.00 1.14 H new ATOM 0 HE ARG A 76 3.499 8.836 12.787 1.00 1.76 H new ATOM 0 HH11 ARG A 76 0.966 6.818 14.106 1.00 1.55 H new ATOM 0 HH12 ARG A 76 -0.054 8.184 14.569 1.00 1.55 H new ATOM 0 HH21 ARG A 76 2.195 10.584 13.380 1.00 3.05 H new ATOM 0 HH22 ARG A 76 0.636 10.298 14.161 1.00 3.05 H new ATOM 1245 N ARG A 77 5.358 8.650 8.402 1.00 0.40 N ATOM 1246 CA ARG A 77 5.237 9.557 7.220 1.00 0.43 C ATOM 1247 C ARG A 77 5.522 8.774 5.936 1.00 0.39 C ATOM 1248 O ARG A 77 4.754 8.810 4.994 1.00 0.39 O ATOM 1249 CB ARG A 77 6.243 10.715 7.339 1.00 0.48 C ATOM 1250 CG ARG A 77 5.792 11.730 8.416 1.00 1.10 C ATOM 1251 CD ARG A 77 6.307 11.309 9.797 1.00 1.24 C ATOM 1252 NE ARG A 77 7.791 11.186 9.757 1.00 1.80 N ATOM 1253 CZ ARG A 77 8.473 11.120 10.867 1.00 2.30 C ATOM 1254 NH1 ARG A 77 7.855 11.147 12.016 1.00 2.43 N ATOM 1255 NH2 ARG A 77 9.774 11.026 10.827 1.00 3.22 N ATOM 0 H ARG A 77 6.000 8.965 9.129 1.00 0.40 H new ATOM 0 HA ARG A 77 4.224 9.959 7.188 1.00 0.43 H new ATOM 0 HB2 ARG A 77 7.227 10.322 7.593 1.00 0.48 H new ATOM 0 HB3 ARG A 77 6.340 11.218 6.377 1.00 0.48 H new ATOM 0 HG2 ARG A 77 6.167 12.723 8.168 1.00 1.10 H new ATOM 0 HG3 ARG A 77 4.704 11.795 8.431 1.00 1.10 H new ATOM 0 HD2 ARG A 77 6.012 12.044 10.546 1.00 1.24 H new ATOM 0 HD3 ARG A 77 5.860 10.359 10.089 1.00 1.24 H new ATOM 0 HE ARG A 77 8.275 11.153 8.860 1.00 1.80 H new ATOM 0 HH11 ARG A 77 6.838 11.220 12.047 1.00 2.43 H new ATOM 0 HH12 ARG A 77 8.389 11.095 12.884 1.00 2.43 H new ATOM 0 HH21 ARG A 77 10.256 11.004 9.929 1.00 3.22 H new ATOM 0 HH22 ARG A 77 10.308 10.974 11.694 1.00 3.22 H new ATOM 1269 N GLU A 78 6.616 8.066 5.884 1.00 0.36 N ATOM 1270 CA GLU A 78 6.936 7.290 4.654 1.00 0.36 C ATOM 1271 C GLU A 78 5.970 6.109 4.538 1.00 0.30 C ATOM 1272 O GLU A 78 5.595 5.705 3.455 1.00 0.32 O ATOM 1273 CB GLU A 78 8.377 6.778 4.733 1.00 0.40 C ATOM 1274 CG GLU A 78 8.830 6.299 3.353 1.00 0.91 C ATOM 1275 CD GLU A 78 10.185 5.599 3.475 1.00 1.56 C ATOM 1276 OE1 GLU A 78 10.979 6.027 4.297 1.00 2.13 O ATOM 1277 OE2 GLU A 78 10.407 4.647 2.746 1.00 2.33 O ATOM 0 H GLU A 78 7.300 7.991 6.637 1.00 0.36 H new ATOM 0 HA GLU A 78 6.832 7.930 3.777 1.00 0.36 H new ATOM 0 HB2 GLU A 78 9.036 7.571 5.088 1.00 0.40 H new ATOM 0 HB3 GLU A 78 8.444 5.962 5.452 1.00 0.40 H new ATOM 0 HG2 GLU A 78 8.092 5.615 2.933 1.00 0.91 H new ATOM 0 HG3 GLU A 78 8.906 7.145 2.670 1.00 0.91 H new ATOM 1284 N CYS A 79 5.564 5.551 5.646 1.00 0.27 N ATOM 1285 CA CYS A 79 4.624 4.396 5.596 1.00 0.25 C ATOM 1286 C CYS A 79 3.241 4.877 5.145 1.00 0.23 C ATOM 1287 O CYS A 79 2.520 4.171 4.468 1.00 0.24 O ATOM 1288 CB CYS A 79 4.521 3.759 6.986 1.00 0.29 C ATOM 1289 SG CYS A 79 3.871 2.077 6.828 1.00 1.19 S ATOM 0 H CYS A 79 5.842 5.845 6.582 1.00 0.27 H new ATOM 0 HA CYS A 79 4.996 3.657 4.887 1.00 0.25 H new ATOM 0 HB2 CYS A 79 5.501 3.739 7.463 1.00 0.29 H new ATOM 0 HB3 CYS A 79 3.868 4.355 7.624 1.00 0.29 H new ATOM 0 HG CYS A 79 4.170 1.394 7.893 1.00 1.19 H new ATOM 1295 N LEU A 80 2.864 6.073 5.513 1.00 0.23 N ATOM 1296 CA LEU A 80 1.529 6.588 5.099 1.00 0.23 C ATOM 1297 C LEU A 80 1.483 6.677 3.572 1.00 0.21 C ATOM 1298 O LEU A 80 0.489 6.356 2.950 1.00 0.21 O ATOM 1299 CB LEU A 80 1.299 7.981 5.714 1.00 0.26 C ATOM 1300 CG LEU A 80 0.816 7.848 7.174 1.00 0.27 C ATOM 1301 CD1 LEU A 80 1.119 9.141 7.938 1.00 0.34 C ATOM 1302 CD2 LEU A 80 -0.698 7.604 7.213 1.00 0.42 C ATOM 0 H LEU A 80 3.421 6.712 6.080 1.00 0.23 H new ATOM 0 HA LEU A 80 0.747 5.915 5.449 1.00 0.23 H new ATOM 0 HB2 LEU A 80 2.223 8.558 5.681 1.00 0.26 H new ATOM 0 HB3 LEU A 80 0.560 8.528 5.128 1.00 0.26 H new ATOM 0 HG LEU A 80 1.335 7.007 7.634 1.00 0.27 H new ATOM 0 HD11 LEU A 80 0.777 9.044 8.968 1.00 0.34 H new ATOM 0 HD12 LEU A 80 2.193 9.326 7.928 1.00 0.34 H new ATOM 0 HD13 LEU A 80 0.603 9.975 7.462 1.00 0.34 H new ATOM 0 HD21 LEU A 80 -1.025 7.512 8.249 1.00 0.42 H new ATOM 0 HD22 LEU A 80 -1.214 8.441 6.742 1.00 0.42 H new ATOM 0 HD23 LEU A 80 -0.932 6.685 6.676 1.00 0.42 H new ATOM 1314 N TYR A 81 2.553 7.104 2.965 1.00 0.22 N ATOM 1315 CA TYR A 81 2.575 7.207 1.481 1.00 0.23 C ATOM 1316 C TYR A 81 2.541 5.801 0.875 1.00 0.22 C ATOM 1317 O TYR A 81 1.830 5.541 -0.073 1.00 0.22 O ATOM 1318 CB TYR A 81 3.854 7.924 1.044 1.00 0.26 C ATOM 1319 CG TYR A 81 3.820 8.171 -0.447 1.00 0.30 C ATOM 1320 CD1 TYR A 81 3.078 9.241 -0.961 1.00 1.05 C ATOM 1321 CD2 TYR A 81 4.534 7.333 -1.313 1.00 1.26 C ATOM 1322 CE1 TYR A 81 3.049 9.473 -2.342 1.00 1.04 C ATOM 1323 CE2 TYR A 81 4.505 7.566 -2.694 1.00 1.31 C ATOM 1324 CZ TYR A 81 3.763 8.636 -3.208 1.00 0.46 C ATOM 1325 OH TYR A 81 3.734 8.864 -4.568 1.00 0.55 O ATOM 0 H TYR A 81 3.414 7.386 3.433 1.00 0.22 H new ATOM 0 HA TYR A 81 1.707 7.770 1.138 1.00 0.23 H new ATOM 0 HB2 TYR A 81 3.951 8.870 1.576 1.00 0.26 H new ATOM 0 HB3 TYR A 81 4.725 7.322 1.302 1.00 0.26 H new ATOM 0 HD1 TYR A 81 2.528 9.887 -0.293 1.00 1.05 H new ATOM 0 HD2 TYR A 81 5.107 6.508 -0.916 1.00 1.26 H new ATOM 0 HE1 TYR A 81 2.476 10.298 -2.739 1.00 1.04 H new ATOM 0 HE2 TYR A 81 5.055 6.920 -3.362 1.00 1.31 H new ATOM 0 HH TYR A 81 4.283 8.193 -5.024 1.00 0.55 H new ATOM 1335 N TYR A 82 3.310 4.894 1.416 1.00 0.23 N ATOM 1336 CA TYR A 82 3.334 3.503 0.872 1.00 0.23 C ATOM 1337 C TYR A 82 1.945 2.860 0.989 1.00 0.22 C ATOM 1338 O TYR A 82 1.549 2.080 0.146 1.00 0.24 O ATOM 1339 CB TYR A 82 4.362 2.666 1.659 1.00 0.25 C ATOM 1340 CG TYR A 82 5.744 2.842 1.060 1.00 0.25 C ATOM 1341 CD1 TYR A 82 6.278 4.127 0.901 1.00 1.30 C ATOM 1342 CD2 TYR A 82 6.489 1.722 0.663 1.00 1.13 C ATOM 1343 CE1 TYR A 82 7.552 4.293 0.347 1.00 1.33 C ATOM 1344 CE2 TYR A 82 7.764 1.889 0.109 1.00 1.12 C ATOM 1345 CZ TYR A 82 8.295 3.174 -0.049 1.00 0.31 C ATOM 1346 OH TYR A 82 9.551 3.339 -0.596 1.00 0.36 O ATOM 0 H TYR A 82 3.925 5.056 2.214 1.00 0.23 H new ATOM 0 HA TYR A 82 3.615 3.537 -0.181 1.00 0.23 H new ATOM 0 HB2 TYR A 82 4.368 2.973 2.705 1.00 0.25 H new ATOM 0 HB3 TYR A 82 4.079 1.614 1.637 1.00 0.25 H new ATOM 0 HD1 TYR A 82 5.706 4.991 1.206 1.00 1.30 H new ATOM 0 HD2 TYR A 82 6.079 0.730 0.785 1.00 1.13 H new ATOM 0 HE1 TYR A 82 7.963 5.284 0.225 1.00 1.33 H new ATOM 0 HE2 TYR A 82 8.337 1.026 -0.196 1.00 1.12 H new ATOM 0 HH TYR A 82 9.930 2.462 -0.815 1.00 0.36 H new ATOM 1356 N LEU A 83 1.194 3.180 2.008 1.00 0.21 N ATOM 1357 CA LEU A 83 -0.161 2.574 2.131 1.00 0.20 C ATOM 1358 C LEU A 83 -1.014 3.059 0.969 1.00 0.20 C ATOM 1359 O LEU A 83 -1.776 2.303 0.399 1.00 0.25 O ATOM 1360 CB LEU A 83 -0.800 2.980 3.464 1.00 0.20 C ATOM 1361 CG LEU A 83 -0.176 2.171 4.616 1.00 0.22 C ATOM 1362 CD1 LEU A 83 -0.523 2.840 5.949 1.00 0.24 C ATOM 1363 CD2 LEU A 83 -0.711 0.725 4.620 1.00 0.25 C ATOM 0 H LEU A 83 1.456 3.827 2.752 1.00 0.21 H new ATOM 0 HA LEU A 83 -0.086 1.487 2.106 1.00 0.20 H new ATOM 0 HB2 LEU A 83 -0.654 4.046 3.637 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -1.876 2.807 3.428 1.00 0.20 H new ATOM 0 HG LEU A 83 0.905 2.144 4.478 1.00 0.22 H new ATOM 0 HD11 LEU A 83 -0.083 2.270 6.767 1.00 0.24 H new ATOM 0 HD12 LEU A 83 -0.128 3.856 5.960 1.00 0.24 H new ATOM 0 HD13 LEU A 83 -1.606 2.871 6.070 1.00 0.24 H new ATOM 0 HD21 LEU A 83 -0.257 0.171 5.442 1.00 0.25 H new ATOM 0 HD22 LEU A 83 -1.794 0.738 4.746 1.00 0.25 H new ATOM 0 HD23 LEU A 83 -0.461 0.242 3.675 1.00 0.25 H new ATOM 1375 N THR A 84 -0.896 4.302 0.588 1.00 0.19 N ATOM 1376 CA THR A 84 -1.701 4.797 -0.555 1.00 0.19 C ATOM 1377 C THR A 84 -1.405 3.924 -1.775 1.00 0.22 C ATOM 1378 O THR A 84 -2.288 3.575 -2.534 1.00 0.24 O ATOM 1379 CB THR A 84 -1.299 6.251 -0.837 1.00 0.20 C ATOM 1380 OG1 THR A 84 -1.179 6.950 0.396 1.00 0.22 O ATOM 1381 CG2 THR A 84 -2.357 6.932 -1.702 1.00 0.18 C ATOM 0 H THR A 84 -0.279 4.990 1.019 1.00 0.19 H new ATOM 0 HA THR A 84 -2.767 4.751 -0.330 1.00 0.19 H new ATOM 0 HB THR A 84 -0.346 6.262 -1.367 1.00 0.20 H new ATOM 0 HG1 THR A 84 -0.921 7.879 0.222 1.00 0.22 H new ATOM 0 HG21 THR A 84 -2.061 7.963 -1.895 1.00 0.18 H new ATOM 0 HG22 THR A 84 -2.452 6.399 -2.648 1.00 0.18 H new ATOM 0 HG23 THR A 84 -3.315 6.921 -1.181 1.00 0.18 H new ATOM 1389 N ILE A 85 -0.165 3.561 -1.959 1.00 0.23 N ATOM 1390 CA ILE A 85 0.198 2.698 -3.118 1.00 0.27 C ATOM 1391 C ILE A 85 -0.346 1.289 -2.875 1.00 0.29 C ATOM 1392 O ILE A 85 -1.007 0.712 -3.716 1.00 0.31 O ATOM 1393 CB ILE A 85 1.728 2.631 -3.262 1.00 0.29 C ATOM 1394 CG1 ILE A 85 2.353 4.025 -3.068 1.00 0.31 C ATOM 1395 CG2 ILE A 85 2.091 2.090 -4.644 1.00 0.32 C ATOM 1396 CD1 ILE A 85 1.871 5.002 -4.148 1.00 0.61 C ATOM 0 H ILE A 85 0.614 3.826 -1.355 1.00 0.23 H new ATOM 0 HA ILE A 85 -0.230 3.115 -4.030 1.00 0.27 H new ATOM 0 HB ILE A 85 2.122 1.965 -2.494 1.00 0.29 H new ATOM 0 HG12 ILE A 85 2.092 4.410 -2.082 1.00 0.31 H new ATOM 0 HG13 ILE A 85 3.440 3.948 -3.102 1.00 0.31 H new ATOM 0 HG21 ILE A 85 3.175 2.044 -4.743 1.00 0.32 H new ATOM 0 HG22 ILE A 85 1.672 1.091 -4.765 1.00 0.32 H new ATOM 0 HG23 ILE A 85 1.684 2.749 -5.411 1.00 0.32 H new ATOM 0 HD11 ILE A 85 2.328 5.978 -3.986 1.00 0.61 H new ATOM 0 HD12 ILE A 85 2.155 4.627 -5.131 1.00 0.61 H new ATOM 0 HD13 ILE A 85 0.786 5.096 -4.095 1.00 0.61 H new ATOM 1408 N GLY A 86 -0.072 0.734 -1.726 1.00 0.30 N ATOM 1409 CA GLY A 86 -0.570 -0.634 -1.421 1.00 0.33 C ATOM 1410 C GLY A 86 -2.095 -0.631 -1.430 1.00 0.33 C ATOM 1411 O GLY A 86 -2.724 -1.609 -1.785 1.00 0.39 O ATOM 0 H GLY A 86 0.476 1.171 -0.985 1.00 0.30 H new ATOM 0 HA2 GLY A 86 -0.192 -1.343 -2.158 1.00 0.33 H new ATOM 0 HA3 GLY A 86 -0.202 -0.959 -0.448 1.00 0.33 H new ATOM 1415 N CYS A 87 -2.700 0.458 -1.042 1.00 0.29 N ATOM 1416 CA CYS A 87 -4.181 0.509 -1.029 1.00 0.30 C ATOM 1417 C CYS A 87 -4.694 0.669 -2.461 1.00 0.35 C ATOM 1418 O CYS A 87 -5.644 0.029 -2.866 1.00 0.42 O ATOM 1419 CB CYS A 87 -4.643 1.695 -0.182 1.00 0.29 C ATOM 1420 SG CYS A 87 -4.265 1.376 1.560 1.00 1.29 S ATOM 0 H CYS A 87 -2.231 1.310 -0.735 1.00 0.29 H new ATOM 0 HA CYS A 87 -4.575 -0.413 -0.603 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -4.146 2.607 -0.512 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -5.714 1.852 -0.310 1.00 0.29 H new ATOM 0 HG CYS A 87 -3.019 1.665 1.794 1.00 1.29 H new ATOM 1426 N TYR A 88 -4.082 1.533 -3.228 1.00 0.33 N ATOM 1427 CA TYR A 88 -4.541 1.750 -4.629 1.00 0.40 C ATOM 1428 C TYR A 88 -4.566 0.424 -5.395 1.00 0.43 C ATOM 1429 O TYR A 88 -5.384 0.221 -6.270 1.00 0.52 O ATOM 1430 CB TYR A 88 -3.586 2.720 -5.328 1.00 0.46 C ATOM 1431 CG TYR A 88 -4.108 3.034 -6.711 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -5.116 3.991 -6.877 1.00 1.37 C ATOM 1433 CD2 TYR A 88 -3.584 2.369 -7.826 1.00 1.24 C ATOM 1434 CE1 TYR A 88 -5.601 4.284 -8.157 1.00 1.37 C ATOM 1435 CE2 TYR A 88 -4.068 2.662 -9.107 1.00 1.28 C ATOM 1436 CZ TYR A 88 -5.077 3.619 -9.273 1.00 0.59 C ATOM 1437 OH TYR A 88 -5.553 3.908 -10.535 1.00 0.66 O ATOM 0 H TYR A 88 -3.282 2.098 -2.942 1.00 0.33 H new ATOM 0 HA TYR A 88 -5.549 2.165 -4.611 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -3.492 3.637 -4.746 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -2.590 2.282 -5.395 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -5.520 4.504 -6.017 1.00 1.37 H new ATOM 0 HD2 TYR A 88 -2.807 1.630 -7.698 1.00 1.24 H new ATOM 0 HE1 TYR A 88 -6.379 5.022 -8.284 1.00 1.37 H new ATOM 0 HE2 TYR A 88 -3.663 2.150 -9.967 1.00 1.28 H new ATOM 0 HH TYR A 88 -5.082 3.359 -11.196 1.00 0.66 H new ATOM 1447 N LYS A 89 -3.674 -0.476 -5.087 1.00 0.43 N ATOM 1448 CA LYS A 89 -3.652 -1.778 -5.815 1.00 0.51 C ATOM 1449 C LYS A 89 -4.815 -2.658 -5.342 1.00 0.36 C ATOM 1450 O LYS A 89 -5.309 -3.491 -6.076 1.00 0.37 O ATOM 1451 CB LYS A 89 -2.314 -2.480 -5.553 1.00 0.70 C ATOM 1452 CG LYS A 89 -1.164 -1.661 -6.180 1.00 1.00 C ATOM 1453 CD LYS A 89 -0.984 -2.028 -7.673 1.00 1.24 C ATOM 1454 CE LYS A 89 0.073 -3.128 -7.826 1.00 1.56 C ATOM 1455 NZ LYS A 89 -0.306 -4.304 -6.994 1.00 2.05 N ATOM 0 H LYS A 89 -2.961 -0.368 -4.365 1.00 0.43 H new ATOM 0 HA LYS A 89 -3.762 -1.602 -6.885 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -2.153 -2.588 -4.480 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -2.331 -3.484 -5.976 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -1.375 -0.596 -6.085 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -0.237 -1.852 -5.639 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -1.933 -2.366 -8.089 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -0.685 -1.145 -8.238 1.00 1.24 H new ATOM 0 HE2 LYS A 89 0.158 -3.422 -8.872 1.00 1.56 H new ATOM 0 HE3 LYS A 89 1.050 -2.753 -7.520 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 0.345 -5.091 -7.189 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 -0.250 -4.049 -5.987 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 -1.278 -4.593 -7.224 1.00 2.05 H new ATOM 1469 N LEU A 90 -5.279 -2.455 -4.133 1.00 0.32 N ATOM 1470 CA LEU A 90 -6.435 -3.247 -3.610 1.00 0.47 C ATOM 1471 C LEU A 90 -7.658 -2.334 -3.604 1.00 0.56 C ATOM 1472 O LEU A 90 -8.618 -2.561 -2.895 1.00 0.89 O ATOM 1473 CB LEU A 90 -6.161 -3.705 -2.174 1.00 0.55 C ATOM 1474 CG LEU A 90 -4.830 -4.462 -2.086 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -4.562 -4.836 -0.620 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -4.900 -5.741 -2.935 1.00 0.56 C ATOM 0 H LEU A 90 -4.902 -1.768 -3.480 1.00 0.32 H new ATOM 0 HA LEU A 90 -6.594 -4.125 -4.236 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -6.137 -2.840 -1.511 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -6.973 -4.347 -1.832 1.00 0.55 H new ATOM 0 HG LEU A 90 -4.026 -3.829 -2.461 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -3.617 -5.375 -0.549 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -4.509 -3.929 -0.017 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -5.369 -5.469 -0.253 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -3.952 -6.274 -2.868 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -5.702 -6.380 -2.565 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -5.096 -5.478 -3.974 1.00 0.56 H new ATOM 1488 N GLY A 91 -7.612 -1.281 -4.371 1.00 0.56 N ATOM 1489 CA GLY A 91 -8.727 -0.297 -4.418 1.00 0.91 C ATOM 1490 C GLY A 91 -9.326 -0.023 -3.045 1.00 0.69 C ATOM 1491 O GLY A 91 -10.463 0.391 -2.936 1.00 0.69 O ATOM 0 H GLY A 91 -6.827 -1.057 -4.983 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -8.364 0.638 -4.845 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -9.507 -0.669 -5.083 1.00 0.91 H new ATOM 1495 N GLU A 92 -8.563 -0.144 -2.004 1.00 0.54 N ATOM 1496 CA GLU A 92 -9.096 0.230 -0.669 1.00 0.42 C ATOM 1497 C GLU A 92 -8.980 1.760 -0.611 1.00 0.34 C ATOM 1498 O GLU A 92 -8.481 2.331 0.339 1.00 0.39 O ATOM 1499 CB GLU A 92 -8.229 -0.429 0.425 1.00 0.44 C ATOM 1500 CG GLU A 92 -8.890 -1.714 0.931 1.00 0.55 C ATOM 1501 CD GLU A 92 -9.192 -2.655 -0.237 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -10.059 -2.333 -1.031 1.00 2.06 O ATOM 1503 OE2 GLU A 92 -8.558 -3.692 -0.306 1.00 2.18 O ATOM 0 H GLU A 92 -7.601 -0.482 -2.016 1.00 0.54 H new ATOM 0 HA GLU A 92 -10.124 -0.098 -0.512 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -7.240 -0.654 0.027 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -8.089 0.265 1.253 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -8.234 -2.211 1.646 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -9.812 -1.472 1.459 1.00 0.55 H new ATOM 1510 N TYR A 93 -9.379 2.421 -1.673 1.00 0.33 N ATOM 1511 CA TYR A 93 -9.227 3.903 -1.727 1.00 0.31 C ATOM 1512 C TYR A 93 -9.772 4.556 -0.457 1.00 0.25 C ATOM 1513 O TYR A 93 -9.449 5.691 -0.168 1.00 0.27 O ATOM 1514 CB TYR A 93 -9.943 4.502 -2.948 1.00 0.41 C ATOM 1515 CG TYR A 93 -9.789 3.620 -4.166 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -8.631 3.701 -4.948 1.00 1.28 C ATOM 1517 CD2 TYR A 93 -10.820 2.745 -4.531 1.00 1.42 C ATOM 1518 CE1 TYR A 93 -8.502 2.903 -6.093 1.00 1.35 C ATOM 1519 CE2 TYR A 93 -10.694 1.951 -5.676 1.00 1.57 C ATOM 1520 CZ TYR A 93 -9.535 2.030 -6.458 1.00 0.95 C ATOM 1521 OH TYR A 93 -9.410 1.245 -7.586 1.00 1.19 O ATOM 0 H TYR A 93 -9.801 1.997 -2.499 1.00 0.33 H new ATOM 0 HA TYR A 93 -8.160 4.108 -1.811 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -11.002 4.632 -2.723 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -9.538 5.491 -3.160 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -7.837 4.378 -4.669 1.00 1.28 H new ATOM 0 HD2 TYR A 93 -11.714 2.683 -3.928 1.00 1.42 H new ATOM 0 HE1 TYR A 93 -7.606 2.961 -6.694 1.00 1.35 H new ATOM 0 HE2 TYR A 93 -11.490 1.277 -5.957 1.00 1.57 H new ATOM 0 HH TYR A 93 -10.178 0.640 -7.650 1.00 1.19 H new ATOM 1531 N SER A 94 -10.563 3.881 0.329 1.00 0.24 N ATOM 1532 CA SER A 94 -11.064 4.528 1.570 1.00 0.28 C ATOM 1533 C SER A 94 -9.885 4.792 2.498 1.00 0.29 C ATOM 1534 O SER A 94 -9.753 5.857 3.068 1.00 0.39 O ATOM 1535 CB SER A 94 -12.058 3.594 2.262 1.00 0.30 C ATOM 1536 OG SER A 94 -11.388 2.403 2.655 1.00 1.12 O ATOM 0 H SER A 94 -10.880 2.925 0.169 1.00 0.24 H new ATOM 0 HA SER A 94 -11.560 5.467 1.326 1.00 0.28 H new ATOM 0 HB2 SER A 94 -12.491 4.086 3.133 1.00 0.30 H new ATOM 0 HB3 SER A 94 -12.881 3.356 1.588 1.00 0.30 H new ATOM 0 HG SER A 94 -12.022 1.803 3.100 1.00 1.12 H new ATOM 1542 N MET A 95 -9.023 3.828 2.650 1.00 0.27 N ATOM 1543 CA MET A 95 -7.849 4.020 3.537 1.00 0.36 C ATOM 1544 C MET A 95 -6.829 4.911 2.825 1.00 0.26 C ATOM 1545 O MET A 95 -6.180 5.741 3.429 1.00 0.26 O ATOM 1546 CB MET A 95 -7.227 2.645 3.863 1.00 0.48 C ATOM 1547 CG MET A 95 -7.569 2.248 5.301 1.00 0.81 C ATOM 1548 SD MET A 95 -7.229 0.486 5.538 1.00 1.25 S ATOM 1549 CE MET A 95 -8.910 -0.005 5.977 1.00 0.83 C ATOM 0 H MET A 95 -9.082 2.916 2.197 1.00 0.27 H new ATOM 0 HA MET A 95 -8.153 4.498 4.468 1.00 0.36 H new ATOM 0 HB2 MET A 95 -7.602 1.892 3.169 1.00 0.48 H new ATOM 0 HB3 MET A 95 -6.145 2.686 3.735 1.00 0.48 H new ATOM 0 HG2 MET A 95 -6.981 2.840 6.003 1.00 0.81 H new ATOM 0 HG3 MET A 95 -8.618 2.458 5.508 1.00 0.81 H new ATOM 0 HE1 MET A 95 -8.937 -1.077 6.170 1.00 0.83 H new ATOM 0 HE2 MET A 95 -9.224 0.533 6.871 1.00 0.83 H new ATOM 0 HE3 MET A 95 -9.585 0.232 5.155 1.00 0.83 H new ATOM 1559 N ALA A 96 -6.682 4.738 1.545 1.00 0.23 N ATOM 1560 CA ALA A 96 -5.706 5.568 0.797 1.00 0.20 C ATOM 1561 C ALA A 96 -6.071 7.048 0.963 1.00 0.18 C ATOM 1562 O ALA A 96 -5.218 7.889 1.166 1.00 0.19 O ATOM 1563 CB ALA A 96 -5.742 5.178 -0.687 1.00 0.23 C ATOM 0 H ALA A 96 -7.196 4.058 0.985 1.00 0.23 H new ATOM 0 HA ALA A 96 -4.701 5.402 1.185 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -5.026 5.786 -1.240 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -5.482 4.125 -0.793 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -6.743 5.346 -1.083 1.00 0.23 H new ATOM 1569 N LYS A 97 -7.332 7.373 0.845 1.00 0.19 N ATOM 1570 CA LYS A 97 -7.767 8.798 0.959 1.00 0.21 C ATOM 1571 C LYS A 97 -7.471 9.377 2.344 1.00 0.21 C ATOM 1572 O LYS A 97 -6.968 10.477 2.456 1.00 0.22 O ATOM 1573 CB LYS A 97 -9.272 8.892 0.692 1.00 0.29 C ATOM 1574 CG LYS A 97 -9.652 10.351 0.414 1.00 0.44 C ATOM 1575 CD LYS A 97 -11.167 10.526 0.549 1.00 0.78 C ATOM 1576 CE LYS A 97 -11.577 11.876 -0.042 1.00 1.07 C ATOM 1577 NZ LYS A 97 -10.775 12.960 0.593 1.00 2.10 N ATOM 0 H LYS A 97 -8.085 6.707 0.673 1.00 0.19 H new ATOM 0 HA LYS A 97 -7.207 9.375 0.223 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -9.541 8.267 -0.159 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -9.829 8.517 1.551 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -9.137 11.010 1.113 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -9.332 10.635 -0.588 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -11.685 9.718 0.032 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -11.458 10.472 1.598 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -11.419 11.876 -1.120 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -12.640 12.050 0.124 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -11.242 13.876 0.434 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -10.700 12.783 1.615 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -9.823 12.979 0.174 1.00 2.10 H new ATOM 1591 N ARG A 98 -7.792 8.693 3.407 1.00 0.22 N ATOM 1592 CA ARG A 98 -7.529 9.284 4.755 1.00 0.25 C ATOM 1593 C ARG A 98 -6.023 9.343 5.039 1.00 0.20 C ATOM 1594 O ARG A 98 -5.547 10.269 5.666 1.00 0.21 O ATOM 1595 CB ARG A 98 -8.222 8.440 5.834 1.00 0.33 C ATOM 1596 CG ARG A 98 -7.719 7.004 5.763 1.00 1.18 C ATOM 1597 CD ARG A 98 -8.474 6.138 6.786 1.00 1.28 C ATOM 1598 NE ARG A 98 -9.944 6.271 6.572 1.00 1.90 N ATOM 1599 CZ ARG A 98 -10.765 5.423 7.132 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -10.299 4.457 7.876 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -12.052 5.541 6.950 1.00 3.20 N ATOM 0 H ARG A 98 -8.218 7.766 3.406 1.00 0.22 H new ATOM 0 HA ARG A 98 -7.926 10.299 4.770 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -8.021 8.858 6.821 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -9.302 8.465 5.691 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -7.865 6.607 4.758 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -6.648 6.973 5.966 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -8.175 5.095 6.684 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -8.215 6.446 7.799 1.00 1.28 H new ATOM 0 HE ARG A 98 -10.308 7.024 5.988 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -9.294 4.364 8.020 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -10.940 3.795 8.313 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -12.418 6.296 6.370 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -12.692 4.878 7.388 1.00 3.20 H new ATOM 1615 N TYR A 99 -5.261 8.375 4.600 1.00 0.21 N ATOM 1616 CA TYR A 99 -3.795 8.425 4.883 1.00 0.22 C ATOM 1617 C TYR A 99 -3.140 9.506 4.015 1.00 0.19 C ATOM 1618 O TYR A 99 -2.446 10.372 4.511 1.00 0.21 O ATOM 1619 CB TYR A 99 -3.138 7.067 4.569 1.00 0.27 C ATOM 1620 CG TYR A 99 -3.580 5.975 5.543 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -3.561 6.187 6.937 1.00 1.17 C ATOM 1622 CD2 TYR A 99 -3.988 4.726 5.043 1.00 1.32 C ATOM 1623 CE1 TYR A 99 -3.950 5.164 7.807 1.00 1.18 C ATOM 1624 CE2 TYR A 99 -4.373 3.705 5.924 1.00 1.34 C ATOM 1625 CZ TYR A 99 -4.356 3.927 7.302 1.00 0.40 C ATOM 1626 OH TYR A 99 -4.734 2.920 8.167 1.00 0.47 O ATOM 0 H TYR A 99 -5.582 7.566 4.068 1.00 0.21 H new ATOM 0 HA TYR A 99 -3.654 8.656 5.939 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -3.391 6.769 3.552 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -2.054 7.171 4.610 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -3.246 7.141 7.333 1.00 1.17 H new ATOM 0 HD2 TYR A 99 -4.005 4.552 3.977 1.00 1.32 H new ATOM 0 HE1 TYR A 99 -3.936 5.331 8.874 1.00 1.18 H new ATOM 0 HE2 TYR A 99 -4.683 2.746 5.536 1.00 1.34 H new ATOM 0 HH TYR A 99 -4.989 2.126 7.653 1.00 0.47 H new ATOM 1636 N VAL A 100 -3.343 9.463 2.728 1.00 0.18 N ATOM 1637 CA VAL A 100 -2.715 10.492 1.852 1.00 0.19 C ATOM 1638 C VAL A 100 -3.156 11.880 2.322 1.00 0.21 C ATOM 1639 O VAL A 100 -2.420 12.843 2.228 1.00 0.22 O ATOM 1640 CB VAL A 100 -3.125 10.268 0.390 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -4.591 10.654 0.185 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -2.241 11.127 -0.519 1.00 0.20 C ATOM 0 H VAL A 100 -3.912 8.766 2.247 1.00 0.18 H new ATOM 0 HA VAL A 100 -1.630 10.414 1.916 1.00 0.19 H new ATOM 0 HB VAL A 100 -3.000 9.214 0.143 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -4.868 10.490 -0.856 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -5.222 10.042 0.829 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -4.729 11.706 0.436 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -2.528 10.971 -1.559 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -2.367 12.179 -0.261 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -1.197 10.843 -0.385 1.00 0.20 H new ATOM 1652 N ASP A 101 -4.351 11.986 2.836 1.00 0.23 N ATOM 1653 CA ASP A 101 -4.842 13.306 3.321 1.00 0.27 C ATOM 1654 C ASP A 101 -3.984 13.762 4.504 1.00 0.26 C ATOM 1655 O ASP A 101 -3.512 14.881 4.546 1.00 0.29 O ATOM 1656 CB ASP A 101 -6.298 13.172 3.771 1.00 0.30 C ATOM 1657 CG ASP A 101 -6.792 14.514 4.314 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -7.182 15.347 3.513 1.00 1.60 O ATOM 1659 OD2 ASP A 101 -6.773 14.685 5.522 1.00 1.79 O ATOM 0 H ASP A 101 -5.009 11.214 2.941 1.00 0.23 H new ATOM 0 HA ASP A 101 -4.775 14.039 2.517 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -6.920 12.855 2.934 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -6.383 12.404 4.540 1.00 0.30 H new ATOM 1664 N THR A 102 -3.778 12.903 5.466 1.00 0.25 N ATOM 1665 CA THR A 102 -2.953 13.287 6.644 1.00 0.26 C ATOM 1666 C THR A 102 -1.598 13.811 6.167 1.00 0.26 C ATOM 1667 O THR A 102 -1.147 14.862 6.577 1.00 0.27 O ATOM 1668 CB THR A 102 -2.741 12.058 7.534 1.00 0.27 C ATOM 1669 OG1 THR A 102 -3.990 11.638 8.063 1.00 0.32 O ATOM 1670 CG2 THR A 102 -1.791 12.408 8.681 1.00 0.29 C ATOM 0 H THR A 102 -4.146 11.952 5.486 1.00 0.25 H new ATOM 0 HA THR A 102 -3.463 14.066 7.211 1.00 0.26 H new ATOM 0 HB THR A 102 -2.306 11.253 6.941 1.00 0.27 H new ATOM 0 HG1 THR A 102 -4.509 11.192 7.361 1.00 0.32 H new ATOM 0 HG21 THR A 102 -1.643 11.531 9.311 1.00 0.29 H new ATOM 0 HG22 THR A 102 -0.832 12.728 8.274 1.00 0.29 H new ATOM 0 HG23 THR A 102 -2.220 13.214 9.276 1.00 0.29 H new ATOM 1678 N LEU A 103 -0.942 13.082 5.307 1.00 0.25 N ATOM 1679 CA LEU A 103 0.386 13.533 4.809 1.00 0.27 C ATOM 1680 C LEU A 103 0.238 14.855 4.053 1.00 0.29 C ATOM 1681 O LEU A 103 1.073 15.731 4.156 1.00 0.31 O ATOM 1682 CB LEU A 103 0.964 12.473 3.862 1.00 0.29 C ATOM 1683 CG LEU A 103 2.443 12.790 3.542 1.00 0.34 C ATOM 1684 CD1 LEU A 103 3.358 12.190 4.617 1.00 0.36 C ATOM 1685 CD2 LEU A 103 2.817 12.187 2.182 1.00 0.41 C ATOM 0 H LEU A 103 -1.269 12.193 4.928 1.00 0.25 H new ATOM 0 HA LEU A 103 1.055 13.675 5.658 1.00 0.27 H new ATOM 0 HB2 LEU A 103 0.887 11.486 4.319 1.00 0.29 H new ATOM 0 HB3 LEU A 103 0.383 12.444 2.940 1.00 0.29 H new ATOM 0 HG LEU A 103 2.570 13.872 3.519 1.00 0.34 H new ATOM 0 HD11 LEU A 103 4.397 12.420 4.380 1.00 0.36 H new ATOM 0 HD12 LEU A 103 3.105 12.614 5.589 1.00 0.36 H new ATOM 0 HD13 LEU A 103 3.224 11.109 4.647 1.00 0.36 H new ATOM 0 HD21 LEU A 103 3.860 12.412 1.959 1.00 0.41 H new ATOM 0 HD22 LEU A 103 2.677 11.106 2.212 1.00 0.41 H new ATOM 0 HD23 LEU A 103 2.180 12.614 1.407 1.00 0.41 H new ATOM 1697 N PHE A 104 -0.806 15.008 3.283 1.00 0.29 N ATOM 1698 CA PHE A 104 -0.970 16.277 2.521 1.00 0.32 C ATOM 1699 C PHE A 104 -1.280 17.421 3.488 1.00 0.37 C ATOM 1700 O PHE A 104 -0.845 18.540 3.298 1.00 0.41 O ATOM 1701 CB PHE A 104 -2.104 16.131 1.504 1.00 0.33 C ATOM 1702 CG PHE A 104 -2.323 17.449 0.799 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -1.552 17.780 -0.321 1.00 1.23 C ATOM 1704 CD2 PHE A 104 -3.298 18.339 1.266 1.00 1.17 C ATOM 1705 CE1 PHE A 104 -1.755 19.001 -0.974 1.00 1.29 C ATOM 1706 CE2 PHE A 104 -3.500 19.561 0.613 1.00 1.19 C ATOM 1707 CZ PHE A 104 -2.729 19.892 -0.507 1.00 0.60 C ATOM 0 H PHE A 104 -1.544 14.317 3.150 1.00 0.29 H new ATOM 0 HA PHE A 104 -0.045 16.499 1.989 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -1.858 15.355 0.779 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -3.019 15.819 2.007 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -0.800 17.093 -0.681 1.00 1.23 H new ATOM 0 HD2 PHE A 104 -3.894 18.083 2.130 1.00 1.17 H new ATOM 0 HE1 PHE A 104 -1.160 19.256 -1.839 1.00 1.29 H new ATOM 0 HE2 PHE A 104 -4.251 20.248 0.974 1.00 1.19 H new ATOM 0 HZ PHE A 104 -2.885 20.834 -1.011 1.00 0.60 H new ATOM 1717 N GLU A 105 -2.021 17.155 4.531 1.00 0.42 N ATOM 1718 CA GLU A 105 -2.339 18.238 5.503 1.00 0.52 C ATOM 1719 C GLU A 105 -1.026 18.816 6.033 1.00 0.56 C ATOM 1720 O GLU A 105 -0.892 20.010 6.211 1.00 0.61 O ATOM 1721 CB GLU A 105 -3.155 17.656 6.666 1.00 0.58 C ATOM 1722 CG GLU A 105 -4.627 17.537 6.257 1.00 1.20 C ATOM 1723 CD GLU A 105 -5.416 16.853 7.376 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -4.809 16.503 8.374 1.00 2.47 O ATOM 1725 OE2 GLU A 105 -6.615 16.691 7.215 1.00 2.31 O ATOM 0 H GLU A 105 -2.417 16.241 4.750 1.00 0.42 H new ATOM 0 HA GLU A 105 -2.921 19.022 5.017 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -2.764 16.677 6.943 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -3.062 18.296 7.544 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -5.041 18.526 6.058 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -4.713 16.964 5.334 1.00 1.20 H new ATOM 1732 N HIS A 106 -0.089 17.959 6.348 1.00 0.57 N ATOM 1733 CA HIS A 106 1.216 18.408 6.931 1.00 0.65 C ATOM 1734 C HIS A 106 1.896 19.495 6.075 1.00 1.07 C ATOM 1735 O HIS A 106 3.081 19.723 6.202 1.00 1.90 O ATOM 1736 CB HIS A 106 2.148 17.197 7.010 1.00 0.88 C ATOM 1737 CG HIS A 106 3.347 17.538 7.851 1.00 1.61 C ATOM 1738 ND1 HIS A 106 4.641 17.457 7.360 1.00 2.41 N ATOM 1739 CD2 HIS A 106 3.466 17.960 9.152 1.00 2.42 C ATOM 1740 CE1 HIS A 106 5.474 17.822 8.351 1.00 3.18 C ATOM 1741 NE2 HIS A 106 4.810 18.139 9.466 1.00 3.21 N ATOM 0 H HIS A 106 -0.173 16.950 6.225 1.00 0.57 H new ATOM 0 HA HIS A 106 1.019 18.833 7.915 1.00 0.65 H new ATOM 0 HB2 HIS A 106 1.620 16.346 7.440 1.00 0.88 H new ATOM 0 HB3 HIS A 106 2.465 16.903 6.009 1.00 0.88 H new ATOM 0 HD2 HIS A 106 2.642 18.128 9.829 1.00 2.42 H new ATOM 0 HE1 HIS A 106 6.549 17.855 8.257 1.00 3.18 H new ATOM 0 HE2 HIS A 106 5.203 18.446 10.356 1.00 3.21 H new ATOM 1749 N GLU A 107 1.178 20.145 5.193 1.00 1.47 N ATOM 1750 CA GLU A 107 1.801 21.188 4.327 1.00 2.05 C ATOM 1751 C GLU A 107 2.913 20.548 3.497 1.00 1.90 C ATOM 1752 O GLU A 107 2.790 19.426 3.047 1.00 2.18 O ATOM 1753 CB GLU A 107 2.375 22.320 5.187 1.00 2.77 C ATOM 1754 CG GLU A 107 1.321 22.778 6.197 1.00 3.57 C ATOM 1755 CD GLU A 107 1.836 24.007 6.949 1.00 4.22 C ATOM 1756 OE1 GLU A 107 2.146 24.990 6.296 1.00 4.64 O ATOM 1757 OE2 GLU A 107 1.911 23.944 8.165 1.00 4.69 O ATOM 0 H GLU A 107 0.181 19.996 5.036 1.00 1.47 H new ATOM 0 HA GLU A 107 1.044 21.608 3.665 1.00 2.05 H new ATOM 0 HB2 GLU A 107 3.269 21.978 5.708 1.00 2.77 H new ATOM 0 HB3 GLU A 107 2.675 23.155 4.554 1.00 2.77 H new ATOM 0 HG2 GLU A 107 0.389 23.016 5.684 1.00 3.57 H new ATOM 0 HG3 GLU A 107 1.101 21.974 6.900 1.00 3.57 H new ATOM 1764 N ARG A 108 3.991 21.248 3.276 1.00 2.18 N ATOM 1765 CA ARG A 108 5.099 20.671 2.461 1.00 2.54 C ATOM 1766 C ARG A 108 4.665 20.645 0.989 1.00 2.14 C ATOM 1767 O ARG A 108 3.577 20.214 0.660 1.00 2.49 O ATOM 1768 CB ARG A 108 5.418 19.242 2.963 1.00 3.58 C ATOM 1769 CG ARG A 108 6.938 18.997 2.977 1.00 4.39 C ATOM 1770 CD ARG A 108 7.529 19.186 1.568 1.00 5.40 C ATOM 1771 NE ARG A 108 7.984 20.595 1.406 1.00 5.98 N ATOM 1772 CZ ARG A 108 8.788 20.912 0.428 1.00 6.94 C ATOM 1773 NH1 ARG A 108 9.200 19.992 -0.401 1.00 7.44 N ATOM 1774 NH2 ARG A 108 9.182 22.147 0.282 1.00 7.59 N ATOM 0 H ARG A 108 4.153 22.193 3.623 1.00 2.18 H new ATOM 0 HA ARG A 108 5.999 21.279 2.558 1.00 2.54 H new ATOM 0 HB2 ARG A 108 5.013 19.105 3.966 1.00 3.58 H new ATOM 0 HB3 ARG A 108 4.932 18.508 2.320 1.00 3.58 H new ATOM 0 HG2 ARG A 108 7.417 19.685 3.674 1.00 4.39 H new ATOM 0 HG3 ARG A 108 7.146 17.988 3.332 1.00 4.39 H new ATOM 0 HD2 ARG A 108 8.365 18.503 1.418 1.00 5.40 H new ATOM 0 HD3 ARG A 108 6.781 18.945 0.813 1.00 5.40 H new ATOM 0 HE ARG A 108 7.667 21.312 2.059 1.00 5.98 H new ATOM 0 HH11 ARG A 108 8.894 19.026 -0.284 1.00 7.44 H new ATOM 0 HH12 ARG A 108 9.828 20.239 -1.166 1.00 7.44 H new ATOM 0 HH21 ARG A 108 8.862 22.865 0.932 1.00 7.59 H new ATOM 0 HH22 ARG A 108 9.810 22.395 -0.482 1.00 7.59 H new ATOM 1788 N ASN A 109 5.507 21.104 0.101 1.00 2.11 N ATOM 1789 CA ASN A 109 5.144 21.108 -1.348 1.00 2.18 C ATOM 1790 C ASN A 109 5.573 19.785 -1.985 1.00 1.51 C ATOM 1791 O ASN A 109 6.627 19.257 -1.692 1.00 2.14 O ATOM 1792 CB ASN A 109 5.858 22.268 -2.047 1.00 2.98 C ATOM 1793 CG ASN A 109 5.199 23.589 -1.643 1.00 3.48 C ATOM 1794 OD1 ASN A 109 4.643 23.692 -0.467 1.00 3.96 O flip ATOM 1795 ND2 ASN A 109 5.189 24.535 -2.405 1.00 3.98 N flip ATOM 0 H ASN A 109 6.432 21.477 0.316 1.00 2.11 H new ATOM 0 HA ASN A 109 4.066 21.228 -1.454 1.00 2.18 H new ATOM 0 HB2 ASN A 109 6.913 22.277 -1.774 1.00 2.98 H new ATOM 0 HB3 ASN A 109 5.809 22.141 -3.128 1.00 2.98 H new ATOM 0 HD21 ASN A 109 5.624 24.454 -3.324 1.00 3.98 H new ATOM 0 HD22 ASN A 109 4.746 25.410 -2.126 1.00 3.98 H new ATOM 1802 N ASN A 110 4.762 19.243 -2.853 1.00 1.10 N ATOM 1803 CA ASN A 110 5.124 17.952 -3.504 1.00 1.20 C ATOM 1804 C ASN A 110 4.056 17.584 -4.540 1.00 0.86 C ATOM 1805 O ASN A 110 3.152 16.819 -4.269 1.00 0.83 O ATOM 1806 CB ASN A 110 5.211 16.855 -2.437 1.00 2.17 C ATOM 1807 CG ASN A 110 4.080 17.037 -1.424 1.00 2.97 C ATOM 1808 OD1 ASN A 110 3.024 17.537 -1.758 1.00 3.39 O ATOM 1809 ND2 ASN A 110 4.258 16.652 -0.190 1.00 3.76 N ATOM 0 H ASN A 110 3.866 19.638 -3.139 1.00 1.10 H new ATOM 0 HA ASN A 110 6.088 18.050 -4.003 1.00 1.20 H new ATOM 0 HB2 ASN A 110 5.141 15.873 -2.904 1.00 2.17 H new ATOM 0 HB3 ASN A 110 6.176 16.900 -1.932 1.00 2.17 H new ATOM 0 HD21 ASN A 110 3.511 16.771 0.494 1.00 3.76 H new ATOM 0 HD22 ASN A 110 5.144 16.232 0.090 1.00 3.76 H new ATOM 1816 N LYS A 111 4.145 18.138 -5.719 1.00 0.77 N ATOM 1817 CA LYS A 111 3.127 17.834 -6.770 1.00 0.66 C ATOM 1818 C LYS A 111 2.902 16.315 -6.929 1.00 0.57 C ATOM 1819 O LYS A 111 1.951 15.901 -7.561 1.00 0.57 O ATOM 1820 CB LYS A 111 3.600 18.409 -8.106 1.00 0.94 C ATOM 1821 CG LYS A 111 3.594 19.936 -8.037 1.00 1.52 C ATOM 1822 CD LYS A 111 4.054 20.509 -9.379 1.00 1.85 C ATOM 1823 CE LYS A 111 4.037 22.037 -9.314 1.00 2.32 C ATOM 1824 NZ LYS A 111 5.001 22.500 -8.276 1.00 3.06 N ATOM 0 H LYS A 111 4.878 18.788 -6.002 1.00 0.77 H new ATOM 0 HA LYS A 111 2.183 18.286 -6.465 1.00 0.66 H new ATOM 0 HB2 LYS A 111 4.603 18.049 -8.334 1.00 0.94 H new ATOM 0 HB3 LYS A 111 2.949 18.069 -8.911 1.00 0.94 H new ATOM 0 HG2 LYS A 111 2.593 20.296 -7.800 1.00 1.52 H new ATOM 0 HG3 LYS A 111 4.253 20.277 -7.239 1.00 1.52 H new ATOM 0 HD2 LYS A 111 5.058 20.155 -9.612 1.00 1.85 H new ATOM 0 HD3 LYS A 111 3.400 20.161 -10.178 1.00 1.85 H new ATOM 0 HE2 LYS A 111 4.302 22.456 -10.285 1.00 2.32 H new ATOM 0 HE3 LYS A 111 3.033 22.391 -9.077 1.00 2.32 H new ATOM 0 HZ1 LYS A 111 5.234 23.500 -8.440 1.00 3.06 H new ATOM 0 HZ2 LYS A 111 4.574 22.394 -7.334 1.00 3.06 H new ATOM 0 HZ3 LYS A 111 5.869 21.929 -8.329 1.00 3.06 H new ATOM 1838 N GLN A 112 3.746 15.475 -6.378 1.00 0.54 N ATOM 1839 CA GLN A 112 3.541 14.011 -6.526 1.00 0.49 C ATOM 1840 C GLN A 112 2.415 13.576 -5.579 1.00 0.39 C ATOM 1841 O GLN A 112 1.691 12.637 -5.843 1.00 0.37 O ATOM 1842 CB GLN A 112 4.870 13.303 -6.178 1.00 0.54 C ATOM 1843 CG GLN A 112 4.620 11.914 -5.583 1.00 1.05 C ATOM 1844 CD GLN A 112 5.928 11.122 -5.557 1.00 1.82 C ATOM 1845 OE1 GLN A 112 6.712 11.191 -6.483 1.00 2.54 O ATOM 1846 NE2 GLN A 112 6.200 10.368 -4.527 1.00 2.56 N ATOM 0 H GLN A 112 4.565 15.746 -5.834 1.00 0.54 H new ATOM 0 HA GLN A 112 3.256 13.747 -7.544 1.00 0.49 H new ATOM 0 HB2 GLN A 112 5.482 13.212 -7.075 1.00 0.54 H new ATOM 0 HB3 GLN A 112 5.433 13.909 -5.468 1.00 0.54 H new ATOM 0 HG2 GLN A 112 4.220 12.007 -4.573 1.00 1.05 H new ATOM 0 HG3 GLN A 112 3.874 11.383 -6.174 1.00 1.05 H new ATOM 0 HE21 GLN A 112 5.542 10.310 -3.750 1.00 2.56 H new ATOM 0 HE22 GLN A 112 7.070 9.837 -4.499 1.00 2.56 H new ATOM 1855 N VAL A 113 2.266 14.263 -4.484 1.00 0.37 N ATOM 1856 CA VAL A 113 1.190 13.908 -3.518 1.00 0.32 C ATOM 1857 C VAL A 113 -0.143 14.416 -4.060 1.00 0.32 C ATOM 1858 O VAL A 113 -1.122 13.699 -4.111 1.00 0.30 O ATOM 1859 CB VAL A 113 1.477 14.560 -2.163 1.00 0.35 C ATOM 1860 CG1 VAL A 113 0.328 14.259 -1.199 1.00 0.41 C ATOM 1861 CG2 VAL A 113 2.779 13.994 -1.592 1.00 0.40 C ATOM 0 H VAL A 113 2.845 15.058 -4.214 1.00 0.37 H new ATOM 0 HA VAL A 113 1.150 12.826 -3.389 1.00 0.32 H new ATOM 0 HB VAL A 113 1.572 15.638 -2.291 1.00 0.35 H new ATOM 0 HG11 VAL A 113 0.532 14.723 -0.234 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -0.601 14.659 -1.605 1.00 0.41 H new ATOM 0 HG13 VAL A 113 0.234 13.181 -1.071 1.00 0.41 H new ATOM 0 HG21 VAL A 113 2.985 14.457 -0.627 1.00 0.40 H new ATOM 0 HG22 VAL A 113 2.682 12.916 -1.464 1.00 0.40 H new ATOM 0 HG23 VAL A 113 3.599 14.205 -2.278 1.00 0.40 H new ATOM 1871 N GLY A 114 -0.183 15.653 -4.472 1.00 0.37 N ATOM 1872 CA GLY A 114 -1.450 16.210 -5.021 1.00 0.40 C ATOM 1873 C GLY A 114 -1.885 15.358 -6.212 1.00 0.38 C ATOM 1874 O GLY A 114 -3.057 15.134 -6.437 1.00 0.38 O ATOM 0 H GLY A 114 0.605 16.300 -4.452 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -2.225 16.212 -4.255 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -1.305 17.245 -5.330 1.00 0.40 H new ATOM 1878 N ALA A 115 -0.940 14.876 -6.971 1.00 0.38 N ATOM 1879 CA ALA A 115 -1.281 14.030 -8.148 1.00 0.38 C ATOM 1880 C ALA A 115 -1.655 12.623 -7.671 1.00 0.33 C ATOM 1881 O ALA A 115 -2.676 12.082 -8.059 1.00 0.34 O ATOM 1882 CB ALA A 115 -0.077 13.965 -9.090 1.00 0.43 C ATOM 0 H ALA A 115 0.057 15.033 -6.826 1.00 0.38 H new ATOM 0 HA ALA A 115 -2.128 14.461 -8.682 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -0.323 13.346 -9.953 1.00 0.43 H new ATOM 0 HB2 ALA A 115 0.177 14.970 -9.425 1.00 0.43 H new ATOM 0 HB3 ALA A 115 0.774 13.532 -8.564 1.00 0.43 H new ATOM 1888 N LEU A 116 -0.867 12.023 -6.825 1.00 0.31 N ATOM 1889 CA LEU A 116 -1.234 10.664 -6.343 1.00 0.29 C ATOM 1890 C LEU A 116 -2.624 10.747 -5.715 1.00 0.26 C ATOM 1891 O LEU A 116 -3.486 9.927 -5.968 1.00 0.25 O ATOM 1892 CB LEU A 116 -0.215 10.185 -5.300 1.00 0.32 C ATOM 1893 CG LEU A 116 -0.698 8.882 -4.645 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -1.051 7.846 -5.722 1.00 0.49 C ATOM 1895 CD2 LEU A 116 0.412 8.330 -3.745 1.00 0.68 C ATOM 0 H LEU A 116 0.001 12.407 -6.451 1.00 0.31 H new ATOM 0 HA LEU A 116 -1.235 9.956 -7.171 1.00 0.29 H new ATOM 0 HB2 LEU A 116 0.753 10.025 -5.774 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -0.074 10.953 -4.539 1.00 0.32 H new ATOM 0 HG LEU A 116 -1.588 9.088 -4.051 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -1.392 6.927 -5.245 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -1.843 8.239 -6.360 1.00 0.49 H new ATOM 0 HD13 LEU A 116 -0.169 7.635 -6.327 1.00 0.49 H new ATOM 0 HD21 LEU A 116 0.075 7.405 -3.277 1.00 0.68 H new ATOM 0 HD22 LEU A 116 1.301 8.131 -4.344 1.00 0.68 H new ATOM 0 HD23 LEU A 116 0.651 9.061 -2.973 1.00 0.68 H new ATOM 1907 N LYS A 117 -2.848 11.738 -4.896 1.00 0.27 N ATOM 1908 CA LYS A 117 -4.180 11.881 -4.251 1.00 0.28 C ATOM 1909 C LYS A 117 -5.242 12.058 -5.338 1.00 0.28 C ATOM 1910 O LYS A 117 -6.382 11.672 -5.176 1.00 0.29 O ATOM 1911 CB LYS A 117 -4.170 13.111 -3.337 1.00 0.33 C ATOM 1912 CG LYS A 117 -5.517 13.237 -2.621 1.00 0.78 C ATOM 1913 CD LYS A 117 -5.400 14.246 -1.471 1.00 0.86 C ATOM 1914 CE LYS A 117 -5.086 15.643 -2.019 1.00 1.44 C ATOM 1915 NZ LYS A 117 -5.978 15.944 -3.176 1.00 2.16 N ATOM 0 H LYS A 117 -2.165 12.454 -4.647 1.00 0.27 H new ATOM 0 HA LYS A 117 -4.405 10.993 -3.660 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -3.366 13.025 -2.606 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -3.974 14.009 -3.923 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -6.285 13.560 -3.324 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -5.827 12.266 -2.235 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -6.331 14.271 -0.904 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -4.615 13.933 -0.782 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -5.224 16.390 -1.237 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -4.042 15.696 -2.329 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -6.080 16.974 -3.277 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -5.564 15.551 -4.045 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -6.913 15.517 -3.014 1.00 2.16 H new ATOM 1929 N SER A 118 -4.876 12.657 -6.443 1.00 0.29 N ATOM 1930 CA SER A 118 -5.859 12.880 -7.540 1.00 0.31 C ATOM 1931 C SER A 118 -6.415 11.548 -8.044 1.00 0.29 C ATOM 1932 O SER A 118 -7.559 11.466 -8.442 1.00 0.30 O ATOM 1933 CB SER A 118 -5.173 13.606 -8.698 1.00 0.34 C ATOM 1934 OG SER A 118 -4.487 12.657 -9.504 1.00 1.35 O ATOM 0 H SER A 118 -3.934 13.002 -6.631 1.00 0.29 H new ATOM 0 HA SER A 118 -6.681 13.483 -7.153 1.00 0.31 H new ATOM 0 HB2 SER A 118 -5.911 14.142 -9.295 1.00 0.34 H new ATOM 0 HB3 SER A 118 -4.473 14.348 -8.314 1.00 0.34 H new ATOM 0 HG SER A 118 -3.911 12.103 -8.938 1.00 1.35 H new ATOM 1940 N MET A 119 -5.641 10.494 -8.019 1.00 0.26 N ATOM 1941 CA MET A 119 -6.184 9.185 -8.492 1.00 0.25 C ATOM 1942 C MET A 119 -7.145 8.656 -7.424 1.00 0.23 C ATOM 1943 O MET A 119 -8.198 8.129 -7.713 1.00 0.24 O ATOM 1944 CB MET A 119 -5.032 8.178 -8.716 1.00 0.26 C ATOM 1945 CG MET A 119 -3.753 8.907 -9.187 1.00 0.61 C ATOM 1946 SD MET A 119 -2.874 7.887 -10.399 1.00 1.03 S ATOM 1947 CE MET A 119 -1.433 8.965 -10.594 1.00 0.69 C ATOM 0 H MET A 119 -4.673 10.481 -7.698 1.00 0.26 H new ATOM 0 HA MET A 119 -6.708 9.316 -9.439 1.00 0.25 H new ATOM 0 HB2 MET A 119 -4.829 7.638 -7.791 1.00 0.26 H new ATOM 0 HB3 MET A 119 -5.329 7.437 -9.459 1.00 0.26 H new ATOM 0 HG2 MET A 119 -4.014 9.869 -9.629 1.00 0.61 H new ATOM 0 HG3 MET A 119 -3.106 9.113 -8.334 1.00 0.61 H new ATOM 0 HE1 MET A 119 -0.742 8.523 -11.312 1.00 0.69 H new ATOM 0 HE2 MET A 119 -1.755 9.942 -10.955 1.00 0.69 H new ATOM 0 HE3 MET A 119 -0.932 9.080 -9.633 1.00 0.69 H new ATOM 1957 N VAL A 120 -6.780 8.829 -6.190 1.00 0.21 N ATOM 1958 CA VAL A 120 -7.632 8.388 -5.052 1.00 0.20 C ATOM 1959 C VAL A 120 -8.924 9.199 -5.021 1.00 0.22 C ATOM 1960 O VAL A 120 -10.005 8.654 -4.916 1.00 0.22 O ATOM 1961 CB VAL A 120 -6.865 8.642 -3.754 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -7.619 8.005 -2.586 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -5.471 8.020 -3.857 1.00 0.23 C ATOM 0 H VAL A 120 -5.903 9.270 -5.913 1.00 0.21 H new ATOM 0 HA VAL A 120 -7.874 7.331 -5.163 1.00 0.20 H new ATOM 0 HB VAL A 120 -6.774 9.716 -3.589 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -7.074 8.185 -1.659 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -8.614 8.444 -2.513 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.707 6.931 -2.752 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -4.923 8.200 -2.932 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -5.563 6.946 -4.021 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -4.933 8.470 -4.691 1.00 0.23 H new ATOM 1973 N GLU A 121 -8.829 10.493 -5.088 1.00 0.25 N ATOM 1974 CA GLU A 121 -10.058 11.328 -5.038 1.00 0.29 C ATOM 1975 C GLU A 121 -10.854 11.183 -6.339 1.00 0.28 C ATOM 1976 O GLU A 121 -12.068 11.194 -6.334 1.00 0.31 O ATOM 1977 CB GLU A 121 -9.658 12.792 -4.832 1.00 0.35 C ATOM 1978 CG GLU A 121 -10.892 13.685 -4.959 1.00 1.07 C ATOM 1979 CD GLU A 121 -10.586 15.071 -4.386 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -9.951 15.850 -5.078 1.00 2.20 O ATOM 1981 OE2 GLU A 121 -10.994 15.331 -3.266 1.00 2.27 O ATOM 0 H GLU A 121 -7.954 11.010 -5.175 1.00 0.25 H new ATOM 0 HA GLU A 121 -10.686 10.997 -4.211 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -9.204 12.920 -3.850 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -8.910 13.082 -5.570 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -11.185 13.770 -6.005 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -11.732 13.238 -4.428 1.00 1.07 H new ATOM 1988 N ASP A 122 -10.190 11.044 -7.451 1.00 0.28 N ATOM 1989 CA ASP A 122 -10.933 10.901 -8.735 1.00 0.30 C ATOM 1990 C ASP A 122 -11.604 9.527 -8.789 1.00 0.28 C ATOM 1991 O ASP A 122 -12.722 9.386 -9.258 1.00 0.31 O ATOM 1992 CB ASP A 122 -9.965 11.040 -9.913 1.00 0.34 C ATOM 1993 CG ASP A 122 -9.439 12.476 -9.975 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -10.085 13.347 -9.416 1.00 1.92 O ATOM 1995 OD2 ASP A 122 -8.401 12.680 -10.583 1.00 1.89 O ATOM 0 H ASP A 122 -9.173 11.023 -7.528 1.00 0.28 H new ATOM 0 HA ASP A 122 -11.692 11.681 -8.797 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -9.135 10.342 -9.800 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -10.470 10.786 -10.845 1.00 0.34 H new ATOM 2000 N LYS A 123 -10.942 8.508 -8.312 1.00 0.27 N ATOM 2001 CA LYS A 123 -11.552 7.152 -8.348 1.00 0.27 C ATOM 2002 C LYS A 123 -12.678 7.060 -7.318 1.00 0.26 C ATOM 2003 O LYS A 123 -13.663 6.381 -7.536 1.00 0.28 O ATOM 2004 CB LYS A 123 -10.478 6.095 -8.033 1.00 0.27 C ATOM 2005 CG LYS A 123 -10.912 4.716 -8.577 1.00 0.93 C ATOM 2006 CD LYS A 123 -10.394 4.531 -10.009 1.00 1.10 C ATOM 2007 CE LYS A 123 -10.893 3.198 -10.569 1.00 1.43 C ATOM 2008 NZ LYS A 123 -10.606 2.108 -9.594 1.00 1.95 N ATOM 0 H LYS A 123 -10.010 8.557 -7.901 1.00 0.27 H new ATOM 0 HA LYS A 123 -11.961 6.970 -9.342 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -9.527 6.387 -8.479 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -10.320 6.036 -6.956 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -10.524 3.924 -7.936 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -11.999 4.635 -8.561 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -10.736 5.352 -10.639 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -9.304 4.555 -10.018 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -11.964 3.252 -10.765 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -10.405 2.986 -11.521 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -10.405 1.226 -10.108 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -9.781 2.367 -9.016 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -11.431 1.968 -8.977 1.00 1.95 H new ATOM 2022 N ILE A 124 -12.562 7.732 -6.196 1.00 0.27 N ATOM 2023 CA ILE A 124 -13.660 7.647 -5.190 1.00 0.29 C ATOM 2024 C ILE A 124 -14.827 8.505 -5.697 1.00 0.35 C ATOM 2025 O ILE A 124 -15.964 8.328 -5.313 1.00 0.43 O ATOM 2026 CB ILE A 124 -13.168 8.126 -3.815 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -12.214 7.081 -3.220 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -14.362 8.313 -2.877 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -11.551 7.638 -1.953 1.00 0.30 C ATOM 0 H ILE A 124 -11.771 8.323 -5.940 1.00 0.27 H new ATOM 0 HA ILE A 124 -13.989 6.615 -5.067 1.00 0.29 H new ATOM 0 HB ILE A 124 -12.645 9.075 -3.931 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.762 6.169 -2.983 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -11.452 6.814 -3.952 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -14.010 8.653 -1.903 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -15.041 9.055 -3.296 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.887 7.365 -2.763 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.876 6.890 -1.537 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -10.988 8.537 -2.202 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -12.318 7.883 -1.218 1.00 0.30 H new ATOM 2041 N GLN A 125 -14.543 9.442 -6.563 1.00 0.35 N ATOM 2042 CA GLN A 125 -15.636 10.308 -7.094 1.00 0.40 C ATOM 2043 C GLN A 125 -16.572 9.446 -7.954 1.00 0.43 C ATOM 2044 O GLN A 125 -17.774 9.627 -7.942 1.00 0.54 O ATOM 2045 CB GLN A 125 -15.053 11.464 -7.921 1.00 0.53 C ATOM 2046 CG GLN A 125 -14.717 12.644 -7.005 1.00 1.22 C ATOM 2047 CD GLN A 125 -13.903 13.677 -7.786 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -13.827 13.583 -9.085 1.00 2.27 O flip ATOM 2049 NE2 GLN A 125 -13.330 14.580 -7.208 1.00 2.64 N flip ATOM 0 H GLN A 125 -13.610 9.644 -6.923 1.00 0.35 H new ATOM 0 HA GLN A 125 -16.196 10.742 -6.266 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -14.156 11.132 -8.444 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -15.769 11.775 -8.682 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -15.633 13.097 -6.626 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -14.152 12.298 -6.140 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -13.389 14.654 -6.192 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -12.790 15.264 -7.739 1.00 2.64 H new ATOM 2058 N LYS A 126 -16.045 8.489 -8.675 1.00 0.65 N ATOM 2059 CA LYS A 126 -16.940 7.613 -9.493 1.00 1.01 C ATOM 2060 C LYS A 126 -17.761 6.753 -8.519 1.00 1.25 C ATOM 2061 O LYS A 126 -18.962 6.614 -8.637 1.00 1.67 O ATOM 2062 CB LYS A 126 -16.092 6.718 -10.413 1.00 1.37 C ATOM 2063 CG LYS A 126 -15.757 7.474 -11.705 1.00 1.43 C ATOM 2064 CD LYS A 126 -14.836 6.621 -12.581 1.00 1.89 C ATOM 2065 CE LYS A 126 -14.729 7.250 -13.972 1.00 1.98 C ATOM 2066 NZ LYS A 126 -13.793 6.449 -14.811 1.00 2.69 N ATOM 0 H LYS A 126 -15.049 8.277 -8.733 1.00 0.65 H new ATOM 0 HA LYS A 126 -17.602 8.211 -10.120 1.00 1.01 H new ATOM 0 HB2 LYS A 126 -15.174 6.423 -9.904 1.00 1.37 H new ATOM 0 HB3 LYS A 126 -16.635 5.802 -10.647 1.00 1.37 H new ATOM 0 HG2 LYS A 126 -16.673 7.710 -12.247 1.00 1.43 H new ATOM 0 HG3 LYS A 126 -15.273 8.422 -11.468 1.00 1.43 H new ATOM 0 HD2 LYS A 126 -13.848 6.548 -12.126 1.00 1.89 H new ATOM 0 HD3 LYS A 126 -15.227 5.606 -12.658 1.00 1.89 H new ATOM 0 HE2 LYS A 126 -15.712 7.289 -14.441 1.00 1.98 H new ATOM 0 HE3 LYS A 126 -14.373 8.277 -13.892 1.00 1.98 H new ATOM 0 HZ1 LYS A 126 -13.721 6.877 -15.756 1.00 2.69 H new ATOM 0 HZ2 LYS A 126 -12.854 6.434 -14.365 1.00 2.69 H new ATOM 0 HZ3 LYS A 126 -14.151 5.476 -14.898 1.00 2.69 H new ATOM 2080 N GLU A 127 -17.097 6.222 -7.530 1.00 1.12 N ATOM 2081 CA GLU A 127 -17.776 5.408 -6.479 1.00 1.55 C ATOM 2082 C GLU A 127 -18.972 6.178 -5.914 1.00 1.69 C ATOM 2083 O GLU A 127 -19.884 5.599 -5.359 1.00 2.06 O ATOM 2084 CB GLU A 127 -16.783 5.154 -5.342 1.00 1.61 C ATOM 2085 CG GLU A 127 -15.675 4.225 -5.841 1.00 1.66 C ATOM 2086 CD GLU A 127 -14.725 3.897 -4.689 1.00 2.28 C ATOM 2087 OE1 GLU A 127 -15.206 3.732 -3.579 1.00 3.00 O ATOM 2088 OE2 GLU A 127 -13.533 3.815 -4.935 1.00 2.61 O ATOM 0 H GLU A 127 -16.090 6.320 -7.402 1.00 1.12 H new ATOM 0 HA GLU A 127 -18.119 4.469 -6.913 1.00 1.55 H new ATOM 0 HB2 GLU A 127 -16.357 6.096 -4.998 1.00 1.61 H new ATOM 0 HB3 GLU A 127 -17.294 4.706 -4.490 1.00 1.61 H new ATOM 0 HG2 GLU A 127 -16.108 3.308 -6.241 1.00 1.66 H new ATOM 0 HG3 GLU A 127 -15.127 4.700 -6.654 1.00 1.66 H new ATOM 2095 N THR A 128 -18.971 7.479 -6.037 1.00 1.49 N ATOM 2096 CA THR A 128 -20.102 8.286 -5.494 1.00 1.74 C ATOM 2097 C THR A 128 -20.245 8.007 -3.993 1.00 2.38 C ATOM 2098 O THR A 128 -19.753 8.755 -3.171 1.00 2.92 O ATOM 2099 CB THR A 128 -21.402 7.923 -6.223 1.00 1.89 C ATOM 2100 OG1 THR A 128 -21.178 7.957 -7.625 1.00 2.46 O ATOM 2101 CG2 THR A 128 -22.493 8.931 -5.856 1.00 2.41 C ATOM 0 H THR A 128 -18.234 8.018 -6.491 1.00 1.49 H new ATOM 0 HA THR A 128 -19.900 9.346 -5.648 1.00 1.74 H new ATOM 0 HB THR A 128 -21.720 6.923 -5.927 1.00 1.89 H new ATOM 0 HG1 THR A 128 -20.468 7.323 -7.858 1.00 2.46 H new ATOM 0 HG21 THR A 128 -23.416 8.673 -6.374 1.00 2.41 H new ATOM 0 HG22 THR A 128 -22.662 8.908 -4.779 1.00 2.41 H new ATOM 0 HG23 THR A 128 -22.178 9.932 -6.152 1.00 2.41 H new ATOM 2109 N LEU A 129 -20.920 6.942 -3.628 1.00 2.91 N ATOM 2110 CA LEU A 129 -21.103 6.612 -2.176 1.00 3.76 C ATOM 2111 C LEU A 129 -20.782 5.128 -1.950 1.00 3.99 C ATOM 2112 O LEU A 129 -19.904 4.784 -1.184 1.00 4.43 O ATOM 2113 CB LEU A 129 -22.562 6.907 -1.771 1.00 4.48 C ATOM 2114 CG LEU A 129 -22.631 7.318 -0.295 1.00 5.08 C ATOM 2115 CD1 LEU A 129 -24.081 7.620 0.084 1.00 5.76 C ATOM 2116 CD2 LEU A 129 -22.102 6.180 0.581 1.00 5.70 C ATOM 0 H LEU A 129 -21.354 6.284 -4.275 1.00 2.91 H new ATOM 0 HA LEU A 129 -20.432 7.218 -1.567 1.00 3.76 H new ATOM 0 HB2 LEU A 129 -22.967 7.703 -2.397 1.00 4.48 H new ATOM 0 HB3 LEU A 129 -23.179 6.024 -1.939 1.00 4.48 H new ATOM 0 HG LEU A 129 -22.021 8.208 -0.140 1.00 5.08 H new ATOM 0 HD11 LEU A 129 -24.130 7.912 1.133 1.00 5.76 H new ATOM 0 HD12 LEU A 129 -24.458 8.433 -0.537 1.00 5.76 H new ATOM 0 HD13 LEU A 129 -24.691 6.731 -0.074 1.00 5.76 H new ATOM 0 HD21 LEU A 129 -22.152 6.474 1.629 1.00 5.70 H new ATOM 0 HD22 LEU A 129 -22.709 5.288 0.425 1.00 5.70 H new ATOM 0 HD23 LEU A 129 -21.067 5.966 0.313 1.00 5.70 H new ATOM 2128 N LYS A 130 -21.487 4.249 -2.610 1.00 4.26 N ATOM 2129 CA LYS A 130 -21.220 2.793 -2.428 1.00 5.01 C ATOM 2130 C LYS A 130 -19.799 2.469 -2.899 1.00 5.21 C ATOM 2131 O LYS A 130 -19.279 3.089 -3.806 1.00 5.67 O ATOM 2132 CB LYS A 130 -22.229 1.982 -3.245 1.00 5.74 C ATOM 2133 CG LYS A 130 -22.336 2.568 -4.655 1.00 6.32 C ATOM 2134 CD LYS A 130 -23.088 1.590 -5.563 1.00 7.29 C ATOM 2135 CE LYS A 130 -24.528 1.422 -5.068 1.00 7.78 C ATOM 2136 NZ LYS A 130 -25.362 0.842 -6.160 1.00 8.42 N ATOM 0 H LYS A 130 -22.235 4.475 -3.266 1.00 4.26 H new ATOM 0 HA LYS A 130 -21.318 2.536 -1.373 1.00 5.01 H new ATOM 0 HB2 LYS A 130 -21.916 0.939 -3.296 1.00 5.74 H new ATOM 0 HB3 LYS A 130 -23.204 1.999 -2.758 1.00 5.74 H new ATOM 0 HG2 LYS A 130 -22.857 3.525 -4.623 1.00 6.32 H new ATOM 0 HG3 LYS A 130 -21.341 2.760 -5.056 1.00 6.32 H new ATOM 0 HD2 LYS A 130 -23.087 1.959 -6.589 1.00 7.29 H new ATOM 0 HD3 LYS A 130 -22.582 0.625 -5.571 1.00 7.29 H new ATOM 0 HE2 LYS A 130 -24.550 0.772 -4.194 1.00 7.78 H new ATOM 0 HE3 LYS A 130 -24.933 2.386 -4.759 1.00 7.78 H new ATOM 0 HZ1 LYS A 130 -26.340 0.727 -5.826 1.00 8.42 H new ATOM 0 HZ2 LYS A 130 -25.349 1.479 -6.982 1.00 8.42 H new ATOM 0 HZ3 LYS A 130 -24.979 -0.085 -6.434 1.00 8.42 H new ATOM 2150 N GLY A 131 -19.167 1.503 -2.289 1.00 5.31 N ATOM 2151 CA GLY A 131 -17.781 1.139 -2.699 1.00 5.94 C ATOM 2152 C GLY A 131 -17.408 -0.217 -2.095 1.00 6.20 C ATOM 2153 O GLY A 131 -18.260 -0.957 -1.648 1.00 6.51 O ATOM 0 H GLY A 131 -19.552 0.950 -1.523 1.00 5.31 H new ATOM 0 HA2 GLY A 131 -17.712 1.096 -3.786 1.00 5.94 H new ATOM 0 HA3 GLY A 131 -17.079 1.903 -2.365 1.00 5.94 H new ATOM 2157 N VAL A 132 -16.140 -0.543 -2.082 1.00 6.39 N ATOM 2158 CA VAL A 132 -15.694 -1.850 -1.511 1.00 6.87 C ATOM 2159 C VAL A 132 -16.354 -3.003 -2.273 1.00 7.31 C ATOM 2160 O VAL A 132 -17.558 -3.052 -2.427 1.00 7.54 O ATOM 2161 CB VAL A 132 -16.073 -1.928 -0.028 1.00 7.38 C ATOM 2162 CG1 VAL A 132 -15.363 -3.119 0.618 1.00 7.84 C ATOM 2163 CG2 VAL A 132 -15.643 -0.638 0.675 1.00 7.83 C ATOM 0 H VAL A 132 -15.390 0.045 -2.445 1.00 6.39 H new ATOM 0 HA VAL A 132 -14.611 -1.929 -1.609 1.00 6.87 H new ATOM 0 HB VAL A 132 -17.152 -2.053 0.066 1.00 7.38 H new ATOM 0 HG11 VAL A 132 -15.632 -3.175 1.673 1.00 7.84 H new ATOM 0 HG12 VAL A 132 -15.666 -4.039 0.117 1.00 7.84 H new ATOM 0 HG13 VAL A 132 -14.284 -2.994 0.525 1.00 7.84 H new ATOM 0 HG21 VAL A 132 -15.912 -0.692 1.730 1.00 7.83 H new ATOM 0 HG22 VAL A 132 -14.564 -0.515 0.581 1.00 7.83 H new ATOM 0 HG23 VAL A 132 -16.147 0.212 0.215 1.00 7.83 H new ATOM 2173 N VAL A 133 -15.567 -3.935 -2.754 1.00 7.71 N ATOM 2174 CA VAL A 133 -16.133 -5.095 -3.514 1.00 8.45 C ATOM 2175 C VAL A 133 -15.464 -6.389 -3.045 1.00 8.66 C ATOM 2176 O VAL A 133 -14.293 -6.616 -3.273 1.00 8.87 O ATOM 2177 CB VAL A 133 -15.869 -4.901 -5.008 1.00 9.00 C ATOM 2178 CG1 VAL A 133 -16.591 -5.993 -5.800 1.00 9.52 C ATOM 2179 CG2 VAL A 133 -16.391 -3.530 -5.443 1.00 9.12 C ATOM 0 H VAL A 133 -14.552 -3.942 -2.653 1.00 7.71 H new ATOM 0 HA VAL A 133 -17.207 -5.156 -3.337 1.00 8.45 H new ATOM 0 HB VAL A 133 -14.797 -4.961 -5.198 1.00 9.00 H new ATOM 0 HG11 VAL A 133 -16.403 -5.855 -6.865 1.00 9.52 H new ATOM 0 HG12 VAL A 133 -16.223 -6.971 -5.490 1.00 9.52 H new ATOM 0 HG13 VAL A 133 -17.663 -5.932 -5.610 1.00 9.52 H new ATOM 0 HG21 VAL A 133 -16.203 -3.390 -6.508 1.00 9.12 H new ATOM 0 HG22 VAL A 133 -17.463 -3.472 -5.253 1.00 9.12 H new ATOM 0 HG23 VAL A 133 -15.879 -2.750 -4.879 1.00 9.12 H new ATOM 2189 N VAL A 134 -16.207 -7.240 -2.392 1.00 8.83 N ATOM 2190 CA VAL A 134 -15.632 -8.526 -1.905 1.00 9.26 C ATOM 2191 C VAL A 134 -16.777 -9.462 -1.516 1.00 9.25 C ATOM 2192 O VAL A 134 -16.674 -10.668 -1.620 1.00 9.26 O ATOM 2193 CB VAL A 134 -14.745 -8.262 -0.686 1.00 9.44 C ATOM 2194 CG1 VAL A 134 -15.572 -7.590 0.412 1.00 10.00 C ATOM 2195 CG2 VAL A 134 -14.189 -9.589 -0.164 1.00 9.45 C ATOM 0 H VAL A 134 -17.193 -7.099 -2.174 1.00 8.83 H new ATOM 0 HA VAL A 134 -15.031 -8.985 -2.690 1.00 9.26 H new ATOM 0 HB VAL A 134 -13.921 -7.608 -0.972 1.00 9.44 H new ATOM 0 HG11 VAL A 134 -14.940 -7.402 1.280 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -15.970 -6.645 0.041 1.00 10.00 H new ATOM 0 HG13 VAL A 134 -16.396 -8.243 0.698 1.00 10.00 H new ATOM 0 HG21 VAL A 134 -13.557 -9.402 0.704 1.00 9.45 H new ATOM 0 HG22 VAL A 134 -15.014 -10.242 0.121 1.00 9.45 H new ATOM 0 HG23 VAL A 134 -13.600 -10.069 -0.945 1.00 9.45 H new ATOM 2205 N ALA A 135 -17.872 -8.906 -1.076 1.00 9.49 N ATOM 2206 CA ALA A 135 -19.042 -9.743 -0.686 1.00 9.78 C ATOM 2207 C ALA A 135 -19.833 -10.122 -1.939 1.00 10.09 C ATOM 2208 O ALA A 135 -19.872 -11.269 -2.338 1.00 10.21 O ATOM 2209 CB ALA A 135 -19.943 -8.943 0.257 1.00 10.09 C ATOM 0 H ALA A 135 -18.007 -7.901 -0.969 1.00 9.49 H new ATOM 0 HA ALA A 135 -18.695 -10.646 -0.184 1.00 9.78 H new ATOM 0 HB1 ALA A 135 -20.800 -9.552 0.545 1.00 10.09 H new ATOM 0 HB2 ALA A 135 -19.381 -8.664 1.148 1.00 10.09 H new ATOM 0 HB3 ALA A 135 -20.291 -8.043 -0.249 1.00 10.09 H new ATOM 2215 N GLY A 136 -20.463 -9.165 -2.563 1.00 10.42 N ATOM 2216 CA GLY A 136 -21.252 -9.467 -3.790 1.00 10.92 C ATOM 2217 C GLY A 136 -21.856 -8.173 -4.337 1.00 10.81 C ATOM 2218 O GLY A 136 -21.204 -7.149 -4.398 1.00 10.79 O ATOM 0 H GLY A 136 -20.465 -8.186 -2.276 1.00 10.42 H new ATOM 0 HA2 GLY A 136 -20.613 -9.929 -4.542 1.00 10.92 H new ATOM 0 HA3 GLY A 136 -22.042 -10.182 -3.561 1.00 10.92 H new ATOM 2222 N GLY A 137 -23.099 -8.208 -4.734 1.00 10.95 N ATOM 2223 CA GLY A 137 -23.742 -6.977 -5.274 1.00 11.08 C ATOM 2224 C GLY A 137 -25.093 -7.336 -5.895 1.00 10.93 C ATOM 2225 O GLY A 137 -25.297 -7.193 -7.085 1.00 10.97 O ATOM 0 H GLY A 137 -23.696 -9.035 -4.708 1.00 10.95 H new ATOM 0 HA2 GLY A 137 -23.879 -6.246 -4.477 1.00 11.08 H new ATOM 0 HA3 GLY A 137 -23.097 -6.516 -6.022 1.00 11.08 H new ATOM 2229 N VAL A 138 -26.020 -7.798 -5.101 1.00 10.96 N ATOM 2230 CA VAL A 138 -27.357 -8.163 -5.649 1.00 11.02 C ATOM 2231 C VAL A 138 -27.182 -9.101 -6.845 1.00 11.10 C ATOM 2232 O VAL A 138 -27.098 -8.669 -7.978 1.00 11.23 O ATOM 2233 CB VAL A 138 -28.087 -6.895 -6.096 1.00 11.24 C ATOM 2234 CG1 VAL A 138 -29.502 -7.255 -6.551 1.00 11.29 C ATOM 2235 CG2 VAL A 138 -28.163 -5.913 -4.925 1.00 11.73 C ATOM 0 H VAL A 138 -25.909 -7.938 -4.097 1.00 10.96 H new ATOM 0 HA VAL A 138 -27.940 -8.666 -4.878 1.00 11.02 H new ATOM 0 HB VAL A 138 -27.545 -6.435 -6.923 1.00 11.24 H new ATOM 0 HG11 VAL A 138 -30.023 -6.352 -6.870 1.00 11.29 H new ATOM 0 HG12 VAL A 138 -29.449 -7.956 -7.384 1.00 11.29 H new ATOM 0 HG13 VAL A 138 -30.044 -7.714 -5.724 1.00 11.29 H new ATOM 0 HG21 VAL A 138 -28.683 -5.009 -5.242 1.00 11.73 H new ATOM 0 HG22 VAL A 138 -28.705 -6.373 -4.099 1.00 11.73 H new ATOM 0 HG23 VAL A 138 -27.155 -5.657 -4.599 1.00 11.73 H new ATOM 2245 N HIS A 139 -27.128 -10.382 -6.603 1.00 11.24 N ATOM 2246 CA HIS A 139 -26.961 -11.346 -7.727 1.00 11.56 C ATOM 2247 C HIS A 139 -28.275 -11.455 -8.503 1.00 11.58 C ATOM 2248 O HIS A 139 -29.319 -11.044 -8.036 1.00 11.58 O ATOM 2249 CB HIS A 139 -26.582 -12.719 -7.169 1.00 11.70 C ATOM 2250 CG HIS A 139 -25.340 -12.595 -6.330 1.00 12.07 C ATOM 2251 ND1 HIS A 139 -24.238 -11.863 -6.745 1.00 12.47 N ATOM 2252 CD2 HIS A 139 -25.009 -13.102 -5.098 1.00 12.33 C ATOM 2253 CE1 HIS A 139 -23.306 -11.950 -5.779 1.00 12.93 C ATOM 2254 NE2 HIS A 139 -23.725 -12.694 -4.752 1.00 12.88 N ATOM 0 H HIS A 139 -27.192 -10.803 -5.676 1.00 11.24 H new ATOM 0 HA HIS A 139 -26.173 -10.995 -8.394 1.00 11.56 H new ATOM 0 HB2 HIS A 139 -27.400 -13.118 -6.569 1.00 11.70 H new ATOM 0 HB3 HIS A 139 -26.413 -13.421 -7.986 1.00 11.70 H new ATOM 0 HD2 HIS A 139 -25.649 -13.724 -4.489 1.00 12.33 H new ATOM 0 HE1 HIS A 139 -22.337 -11.476 -5.828 1.00 12.93 H new ATOM 0 HE2 HIS A 139 -23.213 -12.915 -3.898 1.00 12.88 H new ATOM 2262 N HIS A 140 -28.233 -12.005 -9.686 1.00 11.84 N ATOM 2263 CA HIS A 140 -29.479 -12.140 -10.492 1.00 12.12 C ATOM 2264 C HIS A 140 -30.291 -13.334 -9.984 1.00 12.14 C ATOM 2265 O HIS A 140 -31.246 -13.757 -10.605 1.00 12.31 O ATOM 2266 CB HIS A 140 -29.111 -12.356 -11.963 1.00 12.66 C ATOM 2267 CG HIS A 140 -27.990 -13.354 -12.058 1.00 12.85 C ATOM 2268 ND1 HIS A 140 -26.717 -12.997 -12.473 1.00 13.12 N ATOM 2269 CD2 HIS A 140 -27.935 -14.700 -11.794 1.00 13.01 C ATOM 2270 CE1 HIS A 140 -25.956 -14.107 -12.448 1.00 13.43 C ATOM 2271 NE2 HIS A 140 -26.649 -15.174 -12.042 1.00 13.38 N ATOM 0 H HIS A 140 -27.389 -12.367 -10.129 1.00 11.84 H new ATOM 0 HA HIS A 140 -30.075 -11.233 -10.396 1.00 12.12 H new ATOM 0 HB2 HIS A 140 -29.979 -12.714 -12.517 1.00 12.66 H new ATOM 0 HB3 HIS A 140 -28.811 -11.411 -12.416 1.00 12.66 H new ATOM 0 HD2 HIS A 140 -28.763 -15.300 -11.447 1.00 13.01 H new ATOM 0 HE1 HIS A 140 -24.912 -14.132 -12.723 1.00 13.43 H new ATOM 0 HE2 HIS A 140 -26.310 -16.130 -11.936 1.00 13.38 H new ATOM 2279 N HIS A 141 -29.920 -13.882 -8.857 1.00 12.15 N ATOM 2280 CA HIS A 141 -30.670 -15.049 -8.307 1.00 12.34 C ATOM 2281 C HIS A 141 -31.862 -14.548 -7.484 1.00 12.56 C ATOM 2282 O HIS A 141 -32.838 -14.065 -8.023 1.00 12.54 O ATOM 2283 CB HIS A 141 -29.737 -15.877 -7.419 1.00 12.27 C ATOM 2284 CG HIS A 141 -30.454 -17.115 -6.953 1.00 12.29 C ATOM 2285 ND1 HIS A 141 -30.906 -17.263 -5.652 1.00 12.49 N ATOM 2286 CD2 HIS A 141 -30.802 -18.272 -7.605 1.00 12.37 C ATOM 2287 CE1 HIS A 141 -31.495 -18.469 -5.562 1.00 12.67 C ATOM 2288 NE2 HIS A 141 -31.459 -19.126 -6.724 1.00 12.62 N ATOM 0 H HIS A 141 -29.129 -13.571 -8.293 1.00 12.15 H new ATOM 0 HA HIS A 141 -31.035 -15.670 -9.125 1.00 12.34 H new ATOM 0 HB2 HIS A 141 -28.839 -16.151 -7.973 1.00 12.27 H new ATOM 0 HB3 HIS A 141 -29.415 -15.286 -6.562 1.00 12.27 H new ATOM 0 HD2 HIS A 141 -30.597 -18.487 -8.643 1.00 12.37 H new ATOM 0 HE1 HIS A 141 -31.943 -18.859 -4.660 1.00 12.67 H new ATOM 0 HE2 HIS A 141 -31.833 -20.054 -6.923 1.00 12.62 H new ATOM 2296 N HIS A 142 -31.795 -14.659 -6.184 1.00 12.97 N ATOM 2297 CA HIS A 142 -32.926 -14.187 -5.336 1.00 13.40 C ATOM 2298 C HIS A 142 -33.122 -12.682 -5.533 1.00 13.78 C ATOM 2299 O HIS A 142 -32.277 -11.884 -5.177 1.00 13.99 O ATOM 2300 CB HIS A 142 -32.612 -14.474 -3.865 1.00 13.68 C ATOM 2301 CG HIS A 142 -33.709 -13.923 -2.997 1.00 13.93 C ATOM 2302 ND1 HIS A 142 -34.918 -14.580 -2.826 1.00 14.12 N ATOM 2303 CD2 HIS A 142 -33.795 -12.778 -2.244 1.00 14.22 C ATOM 2304 CE1 HIS A 142 -35.672 -13.833 -1.999 1.00 14.49 C ATOM 2305 NE2 HIS A 142 -35.035 -12.723 -1.615 1.00 14.57 N ATOM 0 H HIS A 142 -31.006 -15.056 -5.674 1.00 12.97 H new ATOM 0 HA HIS A 142 -33.838 -14.710 -5.623 1.00 13.40 H new ATOM 0 HB2 HIS A 142 -32.514 -15.548 -3.707 1.00 13.68 H new ATOM 0 HB3 HIS A 142 -31.658 -14.023 -3.592 1.00 13.68 H new ATOM 0 HD2 HIS A 142 -33.018 -12.033 -2.154 1.00 14.22 H new ATOM 0 HE1 HIS A 142 -36.670 -14.098 -1.684 1.00 14.49 H new ATOM 0 HE2 HIS A 142 -35.383 -11.992 -0.994 1.00 14.57 H new ATOM 2313 N HIS A 143 -34.231 -12.287 -6.098 1.00 14.05 N ATOM 2314 CA HIS A 143 -34.484 -10.833 -6.319 1.00 14.61 C ATOM 2315 C HIS A 143 -35.015 -10.205 -5.029 1.00 14.84 C ATOM 2316 O HIS A 143 -34.260 -9.785 -4.174 1.00 15.15 O ATOM 2317 CB HIS A 143 -35.521 -10.659 -7.431 1.00 15.10 C ATOM 2318 CG HIS A 143 -34.903 -11.016 -8.756 1.00 15.48 C ATOM 2319 ND1 HIS A 143 -35.297 -12.131 -9.479 1.00 15.71 N ATOM 2320 CD2 HIS A 143 -33.920 -10.413 -9.501 1.00 15.83 C ATOM 2321 CE1 HIS A 143 -34.561 -12.165 -10.605 1.00 16.18 C ATOM 2322 NE2 HIS A 143 -33.706 -11.141 -10.668 1.00 16.28 N ATOM 0 H HIS A 143 -34.974 -12.909 -6.417 1.00 14.05 H new ATOM 0 HA HIS A 143 -33.554 -10.343 -6.607 1.00 14.61 H new ATOM 0 HB2 HIS A 143 -36.386 -11.294 -7.239 1.00 15.10 H new ATOM 0 HB3 HIS A 143 -35.879 -9.630 -7.451 1.00 15.10 H new ATOM 0 HD2 HIS A 143 -33.393 -9.512 -9.224 1.00 15.83 H new ATOM 0 HE1 HIS A 143 -34.651 -12.927 -11.365 1.00 16.18 H new ATOM 0 HE2 HIS A 143 -33.039 -10.936 -11.412 1.00 16.28 H new ATOM 2330 N HIS A 144 -36.312 -10.137 -4.881 1.00 14.86 N ATOM 2331 CA HIS A 144 -36.899 -9.536 -3.646 1.00 15.27 C ATOM 2332 C HIS A 144 -38.271 -10.160 -3.381 1.00 15.55 C ATOM 2333 O HIS A 144 -38.815 -10.757 -4.295 1.00 15.64 O ATOM 2334 CB HIS A 144 -37.058 -8.026 -3.840 1.00 15.46 C ATOM 2335 CG HIS A 144 -35.701 -7.390 -3.972 1.00 15.63 C ATOM 2336 ND1 HIS A 144 -34.894 -7.167 -5.060 1.00 15.72 N flip ATOM 2337 CD2 HIS A 144 -35.012 -6.885 -2.880 1.00 15.90 C flip ATOM 2338 CE1 HIS A 144 -33.723 -6.535 -4.653 1.00 16.03 C flip ATOM 2339 NE2 HIS A 144 -33.846 -6.389 -3.331 1.00 16.15 N flip ATOM 2340 OXT HIS A 144 -38.754 -10.029 -2.268 1.00 15.80 O ATOM 0 H HIS A 144 -36.992 -10.472 -5.563 1.00 14.86 H new ATOM 0 HA HIS A 144 -36.240 -9.727 -2.799 1.00 15.27 H new ATOM 0 HB2 HIS A 144 -37.654 -7.824 -4.730 1.00 15.46 H new ATOM 0 HB3 HIS A 144 -37.593 -7.594 -2.994 1.00 15.46 H new ATOM 0 HD2 HIS A 144 -35.350 -6.889 -1.854 1.00 15.90 H new ATOM 0 HE1 HIS A 144 -32.893 -6.228 -5.273 1.00 16.03 H new ATOM 0 HE2 HIS A 144 -33.141 -5.954 -2.736 1.00 16.15 H new TER 2348 HIS A 144