USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 905 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 30 ASN : amide:sc= 0.685 K(o=4.2,f=-7.5) USER MOD Set 1.2: A 32 GLN : amide:sc= 1.57 K(o=4.2,f=-5.3!) USER MOD Set 1.3: A 55 LYS NZ :NH3+ 169:sc= 1.97 (180deg=1.2) USER MOD Set 2.1: A 41 GLN : amide:sc= -0.542 K(o=-5.3,f=-3.4) USER MOD Set 2.2: A 43 ASN : amide:sc= -1.13 K(o=-5.3,f=-6!) USER MOD Set 2.3: A 79 CYS SG : rot -120:sc= -0.0089 USER MOD Set 2.4: A 82 HIS : no HE2:sc= -3.63! C(o=-5.3!,f=-13!) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0748 (180deg=-0.319) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.0538 (180deg=-0.00524) USER MOD Single : A 2 LYS NZ :NH3+ -166:sc= -0.0504 (180deg=-0.327) USER MOD Single : A 3 ASN : amide:sc= -0.855 K(o=-0.85,f=-0.015) USER MOD Single : A 4 THR OG1 : rot 28:sc= 0.0564 USER MOD Single : A 13 SER OG : rot 180:sc= -0.142 USER MOD Single : A 14 GLN : amide:sc= 0.0941 K(o=0.094,f=-0.87) USER MOD Single : A 15 ASN : amide:sc= -2.95! C(o=-2.9!,f=-1.8!) USER MOD Single : A 17 LYS NZ :NH3+ -168:sc= -0.004 (180deg=-0.145) USER MOD Single : A 25 THR OG1 : rot -142:sc= 0.662 USER MOD Single : A 27 HIS : no HD1:sc= 0.502 K(o=1.1,f=-3.9!) USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.19) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0974 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00903) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -165:sc= -0.0997 (180deg=-0.535) USER MOD Single : A 58 ASN : amide:sc= 0.997 K(o=1,f=-0.73) USER MOD Single : A 59 SER OG : rot -159:sc= -0.531 USER MOD Single : A 62 GLN : amide:sc= 1.6 K(o=1.6,f=-0.011) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= -0.063 (180deg=-0.399) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -174:sc=-0.00109 (180deg=-0.0418) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= -0.041 (180deg=-0.273) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 34:sc= 0.688 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0361 USER MOD Single : A 92 GLN : amide:sc= -0.504 K(o=-0.5,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 163:sc= -0.0502 (180deg=-0.323) USER MOD Single : A 95 SER OG : rot 46:sc= 0.469 USER MOD Single : A 96 LYS NZ :NH3+ -142:sc= -2.01! (180deg=-5.13!) USER MOD Single : A 100 THR OG1 : rot -31:sc= 0.903 USER MOD Single : A 106 ASN : amide:sc= -0.242 K(o=-0.24,f=-4.1!) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 110 HIS : no HD1:sc= -0.291 K(o=-0.29,f=-4.4!) USER MOD Single : A 111 HIS : no HD1:sc= -0.428 X(o=-0.43,f=-0.49) USER MOD Single : A 112 HIS : no HD1:sc= -0.181 K(o=-0.18,f=-1.6) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.757 -23.350 -0.685 1.00 52.03 N ATOM 2 CA MET A 1 21.816 -21.993 -0.077 1.00 21.14 C ATOM 3 C MET A 1 20.656 -21.106 -0.556 1.00 23.22 C ATOM 4 O MET A 1 19.980 -21.426 -1.533 1.00 52.02 O ATOM 5 CB MET A 1 23.151 -21.307 -0.412 1.00 51.42 C ATOM 6 CG MET A 1 24.375 -22.011 0.163 1.00 14.44 C ATOM 7 SD MET A 1 25.895 -21.054 -0.039 1.00 34.21 S ATOM 8 CE MET A 1 25.966 -20.870 -1.822 1.00 22.05 C ATOM 0 H1 MET A 1 21.691 -24.065 0.067 1.00 52.03 H new ATOM 0 H2 MET A 1 20.922 -23.418 -1.302 1.00 52.03 H new ATOM 0 H3 MET A 1 22.617 -23.517 -1.246 1.00 52.03 H new ATOM 0 HA MET A 1 21.731 -22.121 1.002 1.00 21.14 H new ATOM 0 HB2 MET A 1 23.255 -21.248 -1.495 1.00 51.42 H new ATOM 0 HB3 MET A 1 23.125 -20.283 -0.038 1.00 51.42 H new ATOM 0 HG2 MET A 1 24.212 -22.205 1.223 1.00 14.44 H new ATOM 0 HG3 MET A 1 24.493 -22.979 -0.324 1.00 14.44 H new ATOM 0 HE1 MET A 1 26.953 -20.509 -2.111 1.00 22.05 H new ATOM 0 HE2 MET A 1 25.779 -21.834 -2.295 1.00 22.05 H new ATOM 0 HE3 MET A 1 25.209 -20.155 -2.144 1.00 22.05 H new ATOM 20 N LYS A 2 20.437 -19.994 0.147 1.00 44.33 N ATOM 21 CA LYS A 2 19.425 -19.005 -0.243 1.00 55.42 C ATOM 22 C LYS A 2 19.718 -17.634 0.395 1.00 33.02 C ATOM 23 O LYS A 2 19.203 -17.296 1.465 1.00 22.32 O ATOM 24 CB LYS A 2 18.010 -19.494 0.123 1.00 25.10 C ATOM 25 CG LYS A 2 17.843 -19.903 1.586 1.00 14.02 C ATOM 26 CD LYS A 2 16.430 -20.406 1.874 1.00 45.44 C ATOM 27 CE LYS A 2 16.278 -20.876 3.317 1.00 73.25 C ATOM 28 NZ LYS A 2 17.238 -21.964 3.646 1.00 42.35 N ATOM 0 H LYS A 2 20.949 -19.753 0.995 1.00 44.33 H new ATOM 0 HA LYS A 2 19.470 -18.886 -1.326 1.00 55.42 H new ATOM 0 HB2 LYS A 2 17.295 -18.703 -0.105 1.00 25.10 H new ATOM 0 HB3 LYS A 2 17.757 -20.344 -0.511 1.00 25.10 H new ATOM 0 HG2 LYS A 2 18.564 -20.683 1.830 1.00 14.02 H new ATOM 0 HG3 LYS A 2 18.064 -19.052 2.229 1.00 14.02 H new ATOM 0 HD2 LYS A 2 15.713 -19.610 1.674 1.00 45.44 H new ATOM 0 HD3 LYS A 2 16.192 -21.227 1.198 1.00 45.44 H new ATOM 0 HE2 LYS A 2 16.436 -20.035 3.992 1.00 73.25 H new ATOM 0 HE3 LYS A 2 15.259 -21.228 3.480 1.00 73.25 H new ATOM 0 HZ1 LYS A 2 16.956 -22.418 4.538 1.00 42.35 H new ATOM 0 HZ2 LYS A 2 17.237 -22.671 2.883 1.00 42.35 H new ATOM 0 HZ3 LYS A 2 18.193 -21.565 3.747 1.00 42.35 H new ATOM 42 N ASN A 3 20.577 -16.856 -0.254 1.00 44.41 N ATOM 43 CA ASN A 3 20.937 -15.523 0.240 1.00 22.41 C ATOM 44 C ASN A 3 20.545 -14.435 -0.775 1.00 54.13 C ATOM 45 O ASN A 3 20.719 -14.612 -1.983 1.00 32.53 O ATOM 46 CB ASN A 3 22.442 -15.455 0.531 1.00 53.12 C ATOM 47 CG ASN A 3 22.847 -14.169 1.235 1.00 30.41 C ATOM 48 OD1 ASN A 3 23.909 -13.613 0.978 1.00 14.12 O ATOM 49 ND2 ASN A 3 22.017 -13.695 2.149 1.00 72.35 N ATOM 0 H ASN A 3 21.039 -17.121 -1.124 1.00 44.41 H new ATOM 0 HA ASN A 3 20.387 -15.343 1.164 1.00 22.41 H new ATOM 0 HB2 ASN A 3 22.727 -16.307 1.148 1.00 53.12 H new ATOM 0 HB3 ASN A 3 22.993 -15.541 -0.406 1.00 53.12 H new ATOM 0 HD21 ASN A 3 22.254 -12.845 2.661 1.00 72.35 H new ATOM 0 HD22 ASN A 3 21.140 -14.179 2.342 1.00 72.35 H new ATOM 56 N THR A 4 20.013 -13.319 -0.282 1.00 43.41 N ATOM 57 CA THR A 4 19.573 -12.212 -1.147 1.00 74.15 C ATOM 58 C THR A 4 20.031 -10.851 -0.609 1.00 70.03 C ATOM 59 O THR A 4 19.846 -10.540 0.569 1.00 30.25 O ATOM 60 CB THR A 4 18.028 -12.179 -1.301 1.00 32.13 C ATOM 61 OG1 THR A 4 17.396 -12.154 -0.010 1.00 33.15 O ATOM 62 CG2 THR A 4 17.520 -13.379 -2.095 1.00 30.45 C ATOM 0 H THR A 4 19.873 -13.151 0.714 1.00 43.41 H new ATOM 0 HA THR A 4 20.033 -12.394 -2.118 1.00 74.15 H new ATOM 0 HB THR A 4 17.773 -11.272 -1.848 1.00 32.13 H new ATOM 0 HG1 THR A 4 17.992 -11.724 0.638 1.00 33.15 H new ATOM 0 HG21 THR A 4 16.435 -13.324 -2.183 1.00 30.45 H new ATOM 0 HG22 THR A 4 17.966 -13.372 -3.090 1.00 30.45 H new ATOM 0 HG23 THR A 4 17.796 -14.299 -1.580 1.00 30.45 H new ATOM 70 N GLY A 5 20.647 -10.053 -1.476 1.00 12.45 N ATOM 71 CA GLY A 5 21.000 -8.681 -1.121 1.00 62.14 C ATOM 72 C GLY A 5 19.953 -7.674 -1.591 1.00 42.12 C ATOM 73 O GLY A 5 19.935 -6.523 -1.152 1.00 25.24 O ATOM 0 H GLY A 5 20.911 -10.329 -2.422 1.00 12.45 H new ATOM 0 HA2 GLY A 5 21.114 -8.606 -0.040 1.00 62.14 H new ATOM 0 HA3 GLY A 5 21.965 -8.431 -1.561 1.00 62.14 H new ATOM 77 N ASP A 6 19.076 -8.114 -2.494 1.00 21.14 N ATOM 78 CA ASP A 6 18.012 -7.265 -3.034 1.00 55.40 C ATOM 79 C ASP A 6 16.854 -7.114 -2.029 1.00 24.12 C ATOM 80 O ASP A 6 15.739 -7.581 -2.271 1.00 21.32 O ATOM 81 CB ASP A 6 17.482 -7.863 -4.343 1.00 43.12 C ATOM 82 CG ASP A 6 18.598 -8.270 -5.287 1.00 4.30 C ATOM 83 OD1 ASP A 6 19.071 -9.424 -5.186 1.00 14.23 O ATOM 84 OD2 ASP A 6 19.004 -7.446 -6.130 1.00 2.43 O ATOM 0 H ASP A 6 19.082 -9.062 -2.870 1.00 21.14 H new ATOM 0 HA ASP A 6 18.432 -6.277 -3.224 1.00 55.40 H new ATOM 0 HB2 ASP A 6 16.865 -8.733 -4.118 1.00 43.12 H new ATOM 0 HB3 ASP A 6 16.839 -7.135 -4.838 1.00 43.12 H new ATOM 89 N GLU A 7 17.125 -6.479 -0.895 1.00 0.02 N ATOM 90 CA GLU A 7 16.106 -6.302 0.142 1.00 0.31 C ATOM 91 C GLU A 7 15.355 -4.970 -0.018 1.00 23.03 C ATOM 92 O GLU A 7 15.948 -3.893 0.070 1.00 31.32 O ATOM 93 CB GLU A 7 16.741 -6.411 1.535 1.00 51.23 C ATOM 94 CG GLU A 7 17.370 -7.779 1.801 1.00 1.10 C ATOM 95 CD GLU A 7 17.878 -7.932 3.224 1.00 3.25 C ATOM 96 OE1 GLU A 7 19.047 -7.578 3.492 1.00 3.32 O ATOM 97 OE2 GLU A 7 17.109 -8.412 4.081 1.00 74.33 O ATOM 0 H GLU A 7 18.035 -6.079 -0.667 1.00 0.02 H new ATOM 0 HA GLU A 7 15.372 -7.100 0.029 1.00 0.31 H new ATOM 0 HB2 GLU A 7 17.504 -5.640 1.641 1.00 51.23 H new ATOM 0 HB3 GLU A 7 15.981 -6.214 2.291 1.00 51.23 H new ATOM 0 HG2 GLU A 7 16.634 -8.557 1.598 1.00 1.10 H new ATOM 0 HG3 GLU A 7 18.196 -7.934 1.107 1.00 1.10 H new ATOM 104 N VAL A 8 14.045 -5.057 -0.268 1.00 34.45 N ATOM 105 CA VAL A 8 13.198 -3.871 -0.449 1.00 52.10 C ATOM 106 C VAL A 8 12.027 -3.845 0.549 1.00 61.14 C ATOM 107 O VAL A 8 11.480 -4.889 0.919 1.00 2.12 O ATOM 108 CB VAL A 8 12.640 -3.788 -1.894 1.00 63.23 C ATOM 109 CG1 VAL A 8 13.774 -3.620 -2.904 1.00 43.20 C ATOM 110 CG2 VAL A 8 11.795 -5.020 -2.227 1.00 3.34 C ATOM 0 H VAL A 8 13.544 -5.942 -0.350 1.00 34.45 H new ATOM 0 HA VAL A 8 13.836 -3.007 -0.262 1.00 52.10 H new ATOM 0 HB VAL A 8 11.996 -2.911 -1.956 1.00 63.23 H new ATOM 0 HG11 VAL A 8 13.359 -3.564 -3.911 1.00 43.20 H new ATOM 0 HG12 VAL A 8 14.323 -2.704 -2.686 1.00 43.20 H new ATOM 0 HG13 VAL A 8 14.450 -4.472 -2.837 1.00 43.20 H new ATOM 0 HG21 VAL A 8 11.416 -4.937 -3.246 1.00 3.34 H new ATOM 0 HG22 VAL A 8 12.409 -5.916 -2.141 1.00 3.34 H new ATOM 0 HG23 VAL A 8 10.958 -5.085 -1.532 1.00 3.34 H new ATOM 120 N VAL A 9 11.660 -2.642 0.988 1.00 52.10 N ATOM 121 CA VAL A 9 10.540 -2.441 1.911 1.00 25.22 C ATOM 122 C VAL A 9 9.466 -1.523 1.296 1.00 14.11 C ATOM 123 O VAL A 9 9.776 -0.611 0.523 1.00 40.40 O ATOM 124 CB VAL A 9 11.018 -1.835 3.261 1.00 44.32 C ATOM 125 CG1 VAL A 9 12.008 -2.769 3.959 1.00 1.33 C ATOM 126 CG2 VAL A 9 11.636 -0.449 3.055 1.00 75.21 C ATOM 0 H VAL A 9 12.129 -1.779 0.715 1.00 52.10 H new ATOM 0 HA VAL A 9 10.106 -3.423 2.097 1.00 25.22 H new ATOM 0 HB VAL A 9 10.144 -1.723 3.903 1.00 44.32 H new ATOM 0 HG11 VAL A 9 12.327 -2.323 4.901 1.00 1.33 H new ATOM 0 HG12 VAL A 9 11.527 -3.727 4.156 1.00 1.33 H new ATOM 0 HG13 VAL A 9 12.876 -2.924 3.318 1.00 1.33 H new ATOM 0 HG21 VAL A 9 11.961 -0.049 4.015 1.00 75.21 H new ATOM 0 HG22 VAL A 9 12.493 -0.528 2.386 1.00 75.21 H new ATOM 0 HG23 VAL A 9 10.894 0.219 2.617 1.00 75.21 H new ATOM 136 N ALA A 10 8.207 -1.775 1.641 1.00 1.33 N ATOM 137 CA ALA A 10 7.085 -0.959 1.167 1.00 24.23 C ATOM 138 C ALA A 10 6.626 0.032 2.248 1.00 15.42 C ATOM 139 O ALA A 10 6.116 -0.367 3.299 1.00 61.14 O ATOM 140 CB ALA A 10 5.924 -1.853 0.735 1.00 40.33 C ATOM 0 H ALA A 10 7.933 -2.544 2.252 1.00 1.33 H new ATOM 0 HA ALA A 10 7.425 -0.384 0.306 1.00 24.23 H new ATOM 0 HB1 ALA A 10 5.098 -1.233 0.386 1.00 40.33 H new ATOM 0 HB2 ALA A 10 6.251 -2.510 -0.071 1.00 40.33 H new ATOM 0 HB3 ALA A 10 5.593 -2.454 1.582 1.00 40.33 H new ATOM 146 N ILE A 11 6.828 1.322 1.994 1.00 14.41 N ATOM 147 CA ILE A 11 6.435 2.377 2.939 1.00 61.35 C ATOM 148 C ILE A 11 5.018 2.896 2.636 1.00 71.31 C ATOM 149 O ILE A 11 4.812 3.623 1.660 1.00 32.31 O ATOM 150 CB ILE A 11 7.420 3.578 2.887 1.00 1.31 C ATOM 151 CG1 ILE A 11 8.884 3.102 2.934 1.00 21.11 C ATOM 152 CG2 ILE A 11 7.135 4.564 4.021 1.00 72.21 C ATOM 153 CD1 ILE A 11 9.267 2.364 4.200 1.00 31.43 C ATOM 0 H ILE A 11 7.263 1.669 1.139 1.00 14.41 H new ATOM 0 HA ILE A 11 6.457 1.930 3.933 1.00 61.35 H new ATOM 0 HB ILE A 11 7.266 4.093 1.939 1.00 1.31 H new ATOM 0 HG12 ILE A 11 9.068 2.451 2.080 1.00 21.11 H new ATOM 0 HG13 ILE A 11 9.537 3.967 2.822 1.00 21.11 H new ATOM 0 HG21 ILE A 11 7.837 5.396 3.964 1.00 72.21 H new ATOM 0 HG22 ILE A 11 6.117 4.941 3.928 1.00 72.21 H new ATOM 0 HG23 ILE A 11 7.248 4.058 4.980 1.00 72.21 H new ATOM 0 HD11 ILE A 11 10.314 2.067 4.145 1.00 31.43 H new ATOM 0 HD12 ILE A 11 9.120 3.017 5.060 1.00 31.43 H new ATOM 0 HD13 ILE A 11 8.643 1.477 4.307 1.00 31.43 H new ATOM 165 N ILE A 12 4.046 2.516 3.462 1.00 53.24 N ATOM 166 CA ILE A 12 2.661 2.982 3.293 1.00 55.44 C ATOM 167 C ILE A 12 2.398 4.261 4.110 1.00 55.52 C ATOM 168 O ILE A 12 2.550 4.277 5.336 1.00 73.34 O ATOM 169 CB ILE A 12 1.612 1.904 3.700 1.00 41.03 C ATOM 170 CG1 ILE A 12 1.773 0.610 2.872 1.00 43.51 C ATOM 171 CG2 ILE A 12 0.197 2.460 3.543 1.00 61.32 C ATOM 172 CD1 ILE A 12 2.903 -0.291 3.329 1.00 72.54 C ATOM 0 H ILE A 12 4.185 1.889 4.254 1.00 53.24 H new ATOM 0 HA ILE A 12 2.547 3.191 2.229 1.00 55.44 H new ATOM 0 HB ILE A 12 1.784 1.651 4.746 1.00 41.03 H new ATOM 0 HG12 ILE A 12 0.839 0.049 2.912 1.00 43.51 H new ATOM 0 HG13 ILE A 12 1.939 0.879 1.829 1.00 43.51 H new ATOM 0 HG21 ILE A 12 -0.527 1.698 3.830 1.00 61.32 H new ATOM 0 HG22 ILE A 12 0.077 3.334 4.183 1.00 61.32 H new ATOM 0 HG23 ILE A 12 0.031 2.745 2.504 1.00 61.32 H new ATOM 0 HD11 ILE A 12 2.943 -1.175 2.693 1.00 72.54 H new ATOM 0 HD12 ILE A 12 3.848 0.248 3.262 1.00 72.54 H new ATOM 0 HD13 ILE A 12 2.731 -0.595 4.362 1.00 72.54 H new ATOM 184 N SER A 13 1.990 5.326 3.425 1.00 42.33 N ATOM 185 CA SER A 13 1.698 6.615 4.070 1.00 41.24 C ATOM 186 C SER A 13 0.249 7.059 3.811 1.00 42.21 C ATOM 187 O SER A 13 -0.376 6.634 2.838 1.00 13.13 O ATOM 188 CB SER A 13 2.663 7.699 3.563 1.00 51.11 C ATOM 189 OG SER A 13 4.017 7.362 3.840 1.00 71.42 O ATOM 0 H SER A 13 1.851 5.327 2.414 1.00 42.33 H new ATOM 0 HA SER A 13 1.831 6.480 5.143 1.00 41.24 H new ATOM 0 HB2 SER A 13 2.532 7.831 2.489 1.00 51.11 H new ATOM 0 HB3 SER A 13 2.421 8.652 4.033 1.00 51.11 H new ATOM 0 HG SER A 13 4.606 8.070 3.504 1.00 71.42 H new ATOM 195 N GLN A 14 -0.277 7.918 4.684 1.00 60.30 N ATOM 196 CA GLN A 14 -1.632 8.456 4.524 1.00 20.54 C ATOM 197 C GLN A 14 -1.767 9.843 5.185 1.00 40.40 C ATOM 198 O GLN A 14 -1.176 10.106 6.233 1.00 25.23 O ATOM 199 CB GLN A 14 -2.662 7.487 5.119 1.00 62.42 C ATOM 200 CG GLN A 14 -4.108 7.865 4.816 1.00 0.45 C ATOM 201 CD GLN A 14 -5.115 7.021 5.578 1.00 41.54 C ATOM 202 OE1 GLN A 14 -4.845 6.551 6.679 1.00 63.33 O ATOM 203 NE2 GLN A 14 -6.286 6.836 5.004 1.00 42.30 N ATOM 0 H GLN A 14 0.214 8.258 5.511 1.00 60.30 H new ATOM 0 HA GLN A 14 -1.822 8.570 3.457 1.00 20.54 H new ATOM 0 HB2 GLN A 14 -2.470 6.485 4.734 1.00 62.42 H new ATOM 0 HB3 GLN A 14 -2.526 7.445 6.200 1.00 62.42 H new ATOM 0 HG2 GLN A 14 -4.262 8.915 5.063 1.00 0.45 H new ATOM 0 HG3 GLN A 14 -4.289 7.759 3.746 1.00 0.45 H new ATOM 0 HE21 GLN A 14 -6.475 7.242 4.088 1.00 42.30 H new ATOM 0 HE22 GLN A 14 -7.004 6.287 5.476 1.00 42.30 H new ATOM 212 N ASN A 15 -2.536 10.726 4.541 1.00 33.52 N ATOM 213 CA ASN A 15 -2.799 12.088 5.044 1.00 60.31 C ATOM 214 C ASN A 15 -1.512 12.907 5.269 1.00 32.52 C ATOM 215 O ASN A 15 -1.526 13.911 5.986 1.00 12.42 O ATOM 216 CB ASN A 15 -3.635 12.052 6.337 1.00 13.41 C ATOM 217 CG ASN A 15 -5.009 11.437 6.129 1.00 54.32 C ATOM 218 OD1 ASN A 15 -5.936 12.093 5.663 1.00 75.54 O ATOM 219 ND2 ASN A 15 -5.164 10.186 6.503 1.00 52.43 N ATOM 0 H ASN A 15 -2.997 10.521 3.654 1.00 33.52 H new ATOM 0 HA ASN A 15 -3.369 12.591 4.263 1.00 60.31 H new ATOM 0 HB2 ASN A 15 -3.098 11.484 7.096 1.00 13.41 H new ATOM 0 HB3 ASN A 15 -3.749 13.066 6.719 1.00 13.41 H new ATOM 0 HD21 ASN A 15 -6.074 9.735 6.409 1.00 52.43 H new ATOM 0 HD22 ASN A 15 -4.374 9.667 6.887 1.00 52.43 H new ATOM 226 N GLY A 16 -0.407 12.497 4.649 1.00 62.54 N ATOM 227 CA GLY A 16 0.835 13.267 4.746 1.00 51.40 C ATOM 228 C GLY A 16 1.916 12.610 5.603 1.00 72.21 C ATOM 229 O GLY A 16 3.077 13.029 5.567 1.00 54.22 O ATOM 0 H GLY A 16 -0.344 11.651 4.083 1.00 62.54 H new ATOM 0 HA2 GLY A 16 1.230 13.426 3.742 1.00 51.40 H new ATOM 0 HA3 GLY A 16 0.608 14.250 5.159 1.00 51.40 H new ATOM 233 N LYS A 17 1.557 11.580 6.368 1.00 71.21 N ATOM 234 CA LYS A 17 2.520 10.900 7.256 1.00 41.32 C ATOM 235 C LYS A 17 2.507 9.373 7.062 1.00 54.42 C ATOM 236 O LYS A 17 1.519 8.800 6.605 1.00 73.23 O ATOM 237 CB LYS A 17 2.222 11.241 8.726 1.00 43.50 C ATOM 238 CG LYS A 17 0.815 10.858 9.179 1.00 41.04 C ATOM 239 CD LYS A 17 0.599 11.138 10.664 1.00 41.13 C ATOM 240 CE LYS A 17 -0.823 10.802 11.101 1.00 34.55 C ATOM 241 NZ LYS A 17 -1.828 11.679 10.446 1.00 53.43 N ATOM 0 H LYS A 17 0.613 11.194 6.396 1.00 71.21 H new ATOM 0 HA LYS A 17 3.514 11.260 6.991 1.00 41.32 H new ATOM 0 HB2 LYS A 17 2.948 10.733 9.361 1.00 43.50 H new ATOM 0 HB3 LYS A 17 2.362 12.312 8.876 1.00 43.50 H new ATOM 0 HG2 LYS A 17 0.082 11.413 8.594 1.00 41.04 H new ATOM 0 HG3 LYS A 17 0.645 9.800 8.981 1.00 41.04 H new ATOM 0 HD2 LYS A 17 1.308 10.554 11.251 1.00 41.13 H new ATOM 0 HD3 LYS A 17 0.804 12.189 10.870 1.00 41.13 H new ATOM 0 HE2 LYS A 17 -1.039 9.761 10.862 1.00 34.55 H new ATOM 0 HE3 LYS A 17 -0.903 10.904 12.183 1.00 34.55 H new ATOM 0 HZ1 LYS A 17 -2.749 11.561 10.914 1.00 53.43 H new ATOM 0 HZ2 LYS A 17 -1.526 12.671 10.523 1.00 53.43 H new ATOM 0 HZ3 LYS A 17 -1.913 11.420 9.442 1.00 53.43 H new ATOM 255 N VAL A 18 3.613 8.717 7.419 1.00 62.23 N ATOM 256 CA VAL A 18 3.714 7.254 7.312 1.00 2.52 C ATOM 257 C VAL A 18 2.810 6.554 8.342 1.00 34.11 C ATOM 258 O VAL A 18 2.794 6.919 9.521 1.00 25.50 O ATOM 259 CB VAL A 18 5.173 6.766 7.509 1.00 12.44 C ATOM 260 CG1 VAL A 18 5.263 5.247 7.368 1.00 33.31 C ATOM 261 CG2 VAL A 18 6.114 7.457 6.526 1.00 14.44 C ATOM 0 H VAL A 18 4.450 9.171 7.784 1.00 62.23 H new ATOM 0 HA VAL A 18 3.385 6.993 6.306 1.00 2.52 H new ATOM 0 HB VAL A 18 5.483 7.031 8.520 1.00 12.44 H new ATOM 0 HG11 VAL A 18 6.296 4.929 7.510 1.00 33.31 H new ATOM 0 HG12 VAL A 18 4.631 4.774 8.119 1.00 33.31 H new ATOM 0 HG13 VAL A 18 4.927 4.953 6.374 1.00 33.31 H new ATOM 0 HG21 VAL A 18 7.131 7.099 6.683 1.00 14.44 H new ATOM 0 HG22 VAL A 18 5.804 7.232 5.506 1.00 14.44 H new ATOM 0 HG23 VAL A 18 6.080 8.535 6.686 1.00 14.44 H new ATOM 271 N ILE A 19 2.058 5.548 7.897 1.00 52.30 N ATOM 272 CA ILE A 19 1.154 4.808 8.786 1.00 71.52 C ATOM 273 C ILE A 19 1.619 3.357 9.010 1.00 63.32 C ATOM 274 O ILE A 19 1.388 2.781 10.075 1.00 74.33 O ATOM 275 CB ILE A 19 -0.300 4.801 8.244 1.00 53.21 C ATOM 276 CG1 ILE A 19 -0.375 4.108 6.870 1.00 2.40 C ATOM 277 CG2 ILE A 19 -0.843 6.228 8.161 1.00 12.24 C ATOM 278 CD1 ILE A 19 -1.777 4.023 6.303 1.00 0.00 C ATOM 0 H ILE A 19 2.054 5.225 6.929 1.00 52.30 H new ATOM 0 HA ILE A 19 1.177 5.331 9.742 1.00 71.52 H new ATOM 0 HB ILE A 19 -0.920 4.234 8.938 1.00 53.21 H new ATOM 0 HG12 ILE A 19 0.259 4.647 6.166 1.00 2.40 H new ATOM 0 HG13 ILE A 19 0.032 3.101 6.959 1.00 2.40 H new ATOM 0 HG21 ILE A 19 -1.864 6.207 7.779 1.00 12.24 H new ATOM 0 HG22 ILE A 19 -0.836 6.678 9.154 1.00 12.24 H new ATOM 0 HG23 ILE A 19 -0.217 6.817 7.491 1.00 12.24 H new ATOM 0 HD11 ILE A 19 -1.748 3.523 5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.412 3.457 6.985 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.181 5.028 6.180 1.00 0.00 H new ATOM 290 N ARG A 20 2.277 2.766 8.008 1.00 10.31 N ATOM 291 CA ARG A 20 2.723 1.364 8.099 1.00 73.13 C ATOM 292 C ARG A 20 3.893 1.069 7.145 1.00 72.13 C ATOM 293 O ARG A 20 3.855 1.431 5.972 1.00 44.33 O ATOM 294 CB ARG A 20 1.547 0.424 7.793 1.00 45.21 C ATOM 295 CG ARG A 20 1.862 -1.064 7.949 1.00 52.02 C ATOM 296 CD ARG A 20 2.341 -1.400 9.359 1.00 53.33 C ATOM 297 NE ARG A 20 1.411 -0.924 10.383 1.00 11.33 N ATOM 298 CZ ARG A 20 1.627 -1.000 11.668 1.00 14.44 C ATOM 299 NH1 ARG A 20 2.712 -1.531 12.129 1.00 54.40 N ATOM 300 NH2 ARG A 20 0.748 -0.541 12.494 1.00 42.42 N ATOM 0 H ARG A 20 2.513 3.228 7.130 1.00 10.31 H new ATOM 0 HA ARG A 20 3.078 1.194 9.116 1.00 73.13 H new ATOM 0 HB2 ARG A 20 0.716 0.677 8.452 1.00 45.21 H new ATOM 0 HB3 ARG A 20 1.211 0.605 6.772 1.00 45.21 H new ATOM 0 HG2 ARG A 20 0.972 -1.650 7.719 1.00 52.02 H new ATOM 0 HG3 ARG A 20 2.627 -1.351 7.228 1.00 52.02 H new ATOM 0 HD2 ARG A 20 2.462 -2.479 9.453 1.00 53.33 H new ATOM 0 HD3 ARG A 20 3.322 -0.954 9.525 1.00 53.33 H new ATOM 0 HE ARG A 20 0.535 -0.505 10.072 1.00 11.33 H new ATOM 0 HH11 ARG A 20 3.414 -1.898 11.486 1.00 54.40 H new ATOM 0 HH12 ARG A 20 2.866 -1.583 13.136 1.00 54.40 H new ATOM 0 HH21 ARG A 20 -0.112 -0.121 12.142 1.00 42.42 H new ATOM 0 HH22 ARG A 20 0.913 -0.599 13.499 1.00 42.42 H new ATOM 314 N GLU A 21 4.928 0.401 7.656 1.00 41.00 N ATOM 315 CA GLU A 21 6.076 -0.005 6.833 1.00 22.31 C ATOM 316 C GLU A 21 6.189 -1.537 6.794 1.00 33.32 C ATOM 317 O GLU A 21 6.438 -2.171 7.822 1.00 21.12 O ATOM 318 CB GLU A 21 7.392 0.581 7.381 1.00 34.12 C ATOM 319 CG GLU A 21 7.297 2.021 7.890 1.00 21.34 C ATOM 320 CD GLU A 21 6.725 2.111 9.301 1.00 45.32 C ATOM 321 OE1 GLU A 21 7.360 1.577 10.235 1.00 72.05 O ATOM 322 OE2 GLU A 21 5.633 2.693 9.484 1.00 61.42 O ATOM 0 H GLU A 21 4.998 0.128 8.636 1.00 41.00 H new ATOM 0 HA GLU A 21 5.911 0.380 5.827 1.00 22.31 H new ATOM 0 HB2 GLU A 21 7.744 -0.053 8.195 1.00 34.12 H new ATOM 0 HB3 GLU A 21 8.146 0.538 6.595 1.00 34.12 H new ATOM 0 HG2 GLU A 21 8.289 2.473 7.875 1.00 21.34 H new ATOM 0 HG3 GLU A 21 6.672 2.601 7.211 1.00 21.34 H new ATOM 329 N ILE A 22 5.995 -2.134 5.620 1.00 1.13 N ATOM 330 CA ILE A 22 6.039 -3.599 5.481 1.00 15.21 C ATOM 331 C ILE A 22 7.213 -4.055 4.595 1.00 74.42 C ATOM 332 O ILE A 22 7.261 -3.738 3.405 1.00 30.32 O ATOM 333 CB ILE A 22 4.714 -4.152 4.890 1.00 15.14 C ATOM 334 CG1 ILE A 22 3.526 -3.782 5.796 1.00 34.51 C ATOM 335 CG2 ILE A 22 4.794 -5.670 4.703 1.00 21.11 C ATOM 336 CD1 ILE A 22 2.183 -4.213 5.253 1.00 31.23 C ATOM 0 H ILE A 22 5.806 -1.634 4.751 1.00 1.13 H new ATOM 0 HA ILE A 22 6.180 -3.999 6.485 1.00 15.21 H new ATOM 0 HB ILE A 22 4.560 -3.696 3.912 1.00 15.14 H new ATOM 0 HG12 ILE A 22 3.674 -4.237 6.776 1.00 34.51 H new ATOM 0 HG13 ILE A 22 3.517 -2.702 5.944 1.00 34.51 H new ATOM 0 HG21 ILE A 22 3.855 -6.035 4.288 1.00 21.11 H new ATOM 0 HG22 ILE A 22 5.610 -5.910 4.021 1.00 21.11 H new ATOM 0 HG23 ILE A 22 4.974 -6.146 5.667 1.00 21.11 H new ATOM 0 HD11 ILE A 22 1.397 -3.916 5.948 1.00 31.23 H new ATOM 0 HD12 ILE A 22 2.012 -3.738 4.287 1.00 31.23 H new ATOM 0 HD13 ILE A 22 2.170 -5.296 5.132 1.00 31.23 H new ATOM 348 N PRO A 23 8.180 -4.804 5.163 1.00 52.32 N ATOM 349 CA PRO A 23 9.306 -5.357 4.392 1.00 12.25 C ATOM 350 C PRO A 23 8.862 -6.452 3.405 1.00 33.21 C ATOM 351 O PRO A 23 8.234 -7.438 3.794 1.00 44.31 O ATOM 352 CB PRO A 23 10.228 -5.939 5.478 1.00 70.14 C ATOM 353 CG PRO A 23 9.322 -6.232 6.626 1.00 53.42 C ATOM 354 CD PRO A 23 8.258 -5.166 6.594 1.00 70.04 C ATOM 0 HA PRO A 23 9.786 -4.602 3.770 1.00 12.25 H new ATOM 0 HB2 PRO A 23 10.730 -6.841 5.129 1.00 70.14 H new ATOM 0 HB3 PRO A 23 11.006 -5.229 5.759 1.00 70.14 H new ATOM 0 HG2 PRO A 23 8.883 -7.225 6.533 1.00 53.42 H new ATOM 0 HG3 PRO A 23 9.868 -6.211 7.569 1.00 53.42 H new ATOM 0 HD2 PRO A 23 7.304 -5.539 6.967 1.00 70.04 H new ATOM 0 HD3 PRO A 23 8.529 -4.309 7.211 1.00 70.04 H new ATOM 362 N LEU A 24 9.190 -6.271 2.125 1.00 52.32 N ATOM 363 CA LEU A 24 8.800 -7.232 1.087 1.00 1.34 C ATOM 364 C LEU A 24 9.763 -8.426 1.042 1.00 74.53 C ATOM 365 O LEU A 24 9.350 -9.580 1.174 1.00 12.43 O ATOM 366 CB LEU A 24 8.749 -6.542 -0.285 1.00 15.32 C ATOM 367 CG LEU A 24 7.738 -5.388 -0.402 1.00 70.12 C ATOM 368 CD1 LEU A 24 7.777 -4.776 -1.801 1.00 21.03 C ATOM 369 CD2 LEU A 24 6.326 -5.863 -0.058 1.00 73.42 C ATOM 0 H LEU A 24 9.723 -5.472 1.781 1.00 52.32 H new ATOM 0 HA LEU A 24 7.807 -7.608 1.335 1.00 1.34 H new ATOM 0 HB2 LEU A 24 9.742 -6.158 -0.518 1.00 15.32 H new ATOM 0 HB3 LEU A 24 8.511 -7.290 -1.041 1.00 15.32 H new ATOM 0 HG LEU A 24 8.019 -4.617 0.316 1.00 70.12 H new ATOM 0 HD11 LEU A 24 7.055 -3.962 -1.862 1.00 21.03 H new ATOM 0 HD12 LEU A 24 8.776 -4.390 -2.002 1.00 21.03 H new ATOM 0 HD13 LEU A 24 7.528 -5.539 -2.539 1.00 21.03 H new ATOM 0 HD21 LEU A 24 5.630 -5.029 -0.148 1.00 73.42 H new ATOM 0 HD22 LEU A 24 6.032 -6.657 -0.744 1.00 73.42 H new ATOM 0 HD23 LEU A 24 6.308 -6.242 0.964 1.00 73.42 H new ATOM 381 N THR A 25 11.049 -8.142 0.858 1.00 0.01 N ATOM 382 CA THR A 25 12.072 -9.194 0.798 1.00 42.54 C ATOM 383 C THR A 25 12.161 -9.968 2.120 1.00 13.42 C ATOM 384 O THR A 25 12.572 -9.424 3.150 1.00 14.53 O ATOM 385 CB THR A 25 13.465 -8.612 0.468 1.00 41.23 C ATOM 386 OG1 THR A 25 13.395 -7.802 -0.720 1.00 45.24 O ATOM 387 CG2 THR A 25 14.495 -9.723 0.267 1.00 63.12 C ATOM 0 H THR A 25 11.412 -7.195 0.747 1.00 0.01 H new ATOM 0 HA THR A 25 11.768 -9.874 0.002 1.00 42.54 H new ATOM 0 HB THR A 25 13.779 -7.998 1.312 1.00 41.23 H new ATOM 0 HG1 THR A 25 14.209 -7.929 -1.251 1.00 45.24 H new ATOM 0 HG21 THR A 25 15.465 -9.283 0.036 1.00 63.12 H new ATOM 0 HG22 THR A 25 14.573 -10.316 1.178 1.00 63.12 H new ATOM 0 HG23 THR A 25 14.182 -10.364 -0.557 1.00 63.12 H new ATOM 395 N GLY A 26 11.777 -11.240 2.085 1.00 40.34 N ATOM 396 CA GLY A 26 11.780 -12.062 3.290 1.00 24.30 C ATOM 397 C GLY A 26 10.413 -12.146 3.964 1.00 60.25 C ATOM 398 O GLY A 26 10.293 -12.679 5.067 1.00 34.33 O ATOM 0 H GLY A 26 11.462 -11.721 1.243 1.00 40.34 H new ATOM 0 HA2 GLY A 26 12.115 -13.068 3.035 1.00 24.30 H new ATOM 0 HA3 GLY A 26 12.502 -11.655 3.998 1.00 24.30 H new ATOM 402 N HIS A 27 9.381 -11.615 3.308 1.00 70.13 N ATOM 403 CA HIS A 27 8.009 -11.689 3.825 1.00 31.03 C ATOM 404 C HIS A 27 7.342 -13.017 3.421 1.00 3.22 C ATOM 405 O HIS A 27 7.243 -13.338 2.235 1.00 34.12 O ATOM 406 CB HIS A 27 7.190 -10.499 3.302 1.00 10.41 C ATOM 407 CG HIS A 27 5.761 -10.503 3.744 1.00 43.23 C ATOM 408 ND1 HIS A 27 4.752 -11.072 3.001 1.00 15.50 N ATOM 409 CD2 HIS A 27 5.168 -10.003 4.855 1.00 24.43 C ATOM 410 CE1 HIS A 27 3.605 -10.924 3.631 1.00 33.35 C ATOM 411 NE2 HIS A 27 3.829 -10.279 4.759 1.00 54.41 N ATOM 0 H HIS A 27 9.467 -11.128 2.416 1.00 70.13 H new ATOM 0 HA HIS A 27 8.045 -11.646 4.914 1.00 31.03 H new ATOM 0 HB2 HIS A 27 7.660 -9.573 3.635 1.00 10.41 H new ATOM 0 HB3 HIS A 27 7.223 -10.499 2.212 1.00 10.41 H new ATOM 0 HD2 HIS A 27 5.659 -9.484 5.665 1.00 24.43 H new ATOM 0 HE1 HIS A 27 2.644 -11.272 3.283 1.00 33.35 H new ATOM 0 HE2 HIS A 27 3.121 -10.026 5.448 1.00 54.41 H new ATOM 420 N LYS A 28 6.881 -13.782 4.410 1.00 25.44 N ATOM 421 CA LYS A 28 6.289 -15.105 4.157 1.00 10.23 C ATOM 422 C LYS A 28 4.769 -15.026 3.954 1.00 3.31 C ATOM 423 O LYS A 28 4.077 -14.268 4.632 1.00 23.34 O ATOM 424 CB LYS A 28 6.589 -16.084 5.314 1.00 15.23 C ATOM 425 CG LYS A 28 8.071 -16.396 5.530 1.00 62.54 C ATOM 426 CD LYS A 28 8.825 -15.225 6.154 1.00 65.42 C ATOM 427 CE LYS A 28 10.289 -15.555 6.421 1.00 22.30 C ATOM 428 NZ LYS A 28 10.998 -14.407 7.042 1.00 12.11 N ATOM 0 H LYS A 28 6.904 -13.513 5.394 1.00 25.44 H new ATOM 0 HA LYS A 28 6.747 -15.474 3.239 1.00 10.23 H new ATOM 0 HB2 LYS A 28 6.183 -15.668 6.236 1.00 15.23 H new ATOM 0 HB3 LYS A 28 6.060 -17.018 5.125 1.00 15.23 H new ATOM 0 HG2 LYS A 28 8.166 -17.271 6.174 1.00 62.54 H new ATOM 0 HG3 LYS A 28 8.529 -16.652 4.575 1.00 62.54 H new ATOM 0 HD2 LYS A 28 8.765 -14.362 5.491 1.00 65.42 H new ATOM 0 HD3 LYS A 28 8.342 -14.942 7.089 1.00 65.42 H new ATOM 0 HE2 LYS A 28 10.354 -16.423 7.077 1.00 22.30 H new ATOM 0 HE3 LYS A 28 10.779 -15.825 5.486 1.00 22.30 H new ATOM 0 HZ1 LYS A 28 12.022 -14.590 7.041 1.00 12.11 H new ATOM 0 HZ2 LYS A 28 10.800 -13.542 6.500 1.00 12.11 H new ATOM 0 HZ3 LYS A 28 10.669 -14.285 8.021 1.00 12.11 H new ATOM 442 N GLY A 29 4.264 -15.820 3.012 1.00 4.33 N ATOM 443 CA GLY A 29 2.823 -15.956 2.813 1.00 41.33 C ATOM 444 C GLY A 29 2.119 -14.687 2.324 1.00 2.52 C ATOM 445 O GLY A 29 2.716 -13.845 1.650 1.00 35.24 O ATOM 0 H GLY A 29 4.831 -16.379 2.375 1.00 4.33 H new ATOM 0 HA2 GLY A 29 2.644 -16.754 2.093 1.00 41.33 H new ATOM 0 HA3 GLY A 29 2.368 -16.267 3.754 1.00 41.33 H new ATOM 449 N ASN A 30 0.840 -14.559 2.674 1.00 24.05 N ATOM 450 CA ASN A 30 0.003 -13.433 2.239 1.00 1.25 C ATOM 451 C ASN A 30 -0.468 -12.607 3.450 1.00 72.43 C ATOM 452 O ASN A 30 -0.753 -13.154 4.515 1.00 24.00 O ATOM 453 CB ASN A 30 -1.209 -13.964 1.456 1.00 13.10 C ATOM 454 CG ASN A 30 -2.125 -12.858 0.960 1.00 32.51 C ATOM 455 OD1 ASN A 30 -3.031 -12.425 1.659 1.00 61.40 O ATOM 456 ND2 ASN A 30 -1.908 -12.402 -0.254 1.00 12.21 N ATOM 0 H ASN A 30 0.352 -15.230 3.267 1.00 24.05 H new ATOM 0 HA ASN A 30 0.594 -12.784 1.593 1.00 1.25 H new ATOM 0 HB2 ASN A 30 -0.858 -14.547 0.604 1.00 13.10 H new ATOM 0 HB3 ASN A 30 -1.778 -14.641 2.093 1.00 13.10 H new ATOM 0 HD21 ASN A 30 -2.503 -11.667 -0.637 1.00 12.21 H new ATOM 0 HD22 ASN A 30 -1.145 -12.783 -0.813 1.00 12.21 H new ATOM 463 N GLU A 31 -0.551 -11.293 3.280 1.00 2.52 N ATOM 464 CA GLU A 31 -0.895 -10.385 4.380 1.00 21.11 C ATOM 465 C GLU A 31 -1.757 -9.211 3.878 1.00 3.21 C ATOM 466 O GLU A 31 -1.296 -8.388 3.091 1.00 0.22 O ATOM 467 CB GLU A 31 0.399 -9.864 5.023 1.00 31.53 C ATOM 468 CG GLU A 31 0.192 -9.070 6.303 1.00 3.11 C ATOM 469 CD GLU A 31 1.509 -8.625 6.919 1.00 4.24 C ATOM 470 OE1 GLU A 31 2.376 -9.496 7.173 1.00 52.14 O ATOM 471 OE2 GLU A 31 1.688 -7.412 7.144 1.00 71.02 O ATOM 0 H GLU A 31 -0.385 -10.826 2.389 1.00 2.52 H new ATOM 0 HA GLU A 31 -1.479 -10.930 5.122 1.00 21.11 H new ATOM 0 HB2 GLU A 31 1.050 -10.712 5.238 1.00 31.53 H new ATOM 0 HB3 GLU A 31 0.921 -9.236 4.301 1.00 31.53 H new ATOM 0 HG2 GLU A 31 -0.423 -8.195 6.091 1.00 3.11 H new ATOM 0 HG3 GLU A 31 -0.357 -9.678 7.022 1.00 3.11 H new ATOM 478 N GLN A 32 -3.008 -9.142 4.336 1.00 44.54 N ATOM 479 CA GLN A 32 -3.958 -8.125 3.853 1.00 14.33 C ATOM 480 C GLN A 32 -4.409 -7.192 4.990 1.00 44.11 C ATOM 481 O GLN A 32 -4.695 -7.641 6.101 1.00 60.42 O ATOM 482 CB GLN A 32 -5.178 -8.816 3.220 1.00 32.31 C ATOM 483 CG GLN A 32 -4.808 -9.864 2.171 1.00 63.11 C ATOM 484 CD GLN A 32 -6.006 -10.599 1.589 1.00 50.42 C ATOM 485 OE1 GLN A 32 -7.091 -10.043 1.445 1.00 53.24 O ATOM 486 NE2 GLN A 32 -5.822 -11.861 1.257 1.00 14.24 N ATOM 0 H GLN A 32 -3.391 -9.774 5.039 1.00 44.54 H new ATOM 0 HA GLN A 32 -3.453 -7.515 3.103 1.00 14.33 H new ATOM 0 HB2 GLN A 32 -5.765 -9.291 4.006 1.00 32.31 H new ATOM 0 HB3 GLN A 32 -5.815 -8.061 2.759 1.00 32.31 H new ATOM 0 HG2 GLN A 32 -4.263 -9.378 1.362 1.00 63.11 H new ATOM 0 HG3 GLN A 32 -4.131 -10.591 2.620 1.00 63.11 H new ATOM 0 HE21 GLN A 32 -4.908 -12.295 1.389 1.00 14.24 H new ATOM 0 HE22 GLN A 32 -6.593 -12.404 0.868 1.00 14.24 H new ATOM 495 N PHE A 33 -4.475 -5.889 4.705 1.00 14.21 N ATOM 496 CA PHE A 33 -4.898 -4.894 5.701 1.00 23.13 C ATOM 497 C PHE A 33 -5.717 -3.761 5.054 1.00 31.32 C ATOM 498 O PHE A 33 -5.422 -3.320 3.940 1.00 31.42 O ATOM 499 CB PHE A 33 -3.678 -4.324 6.454 1.00 20.11 C ATOM 500 CG PHE A 33 -2.648 -3.652 5.571 1.00 13.25 C ATOM 501 CD1 PHE A 33 -1.747 -4.408 4.833 1.00 73.24 C ATOM 502 CD2 PHE A 33 -2.571 -2.267 5.496 1.00 34.15 C ATOM 503 CE1 PHE A 33 -0.804 -3.796 4.031 1.00 40.53 C ATOM 504 CE2 PHE A 33 -1.627 -1.653 4.694 1.00 42.13 C ATOM 505 CZ PHE A 33 -0.740 -2.421 3.965 1.00 73.43 C ATOM 0 H PHE A 33 -4.241 -5.496 3.793 1.00 14.21 H new ATOM 0 HA PHE A 33 -5.543 -5.399 6.420 1.00 23.13 H new ATOM 0 HB2 PHE A 33 -4.028 -3.604 7.193 1.00 20.11 H new ATOM 0 HB3 PHE A 33 -3.195 -5.134 7.001 1.00 20.11 H new ATOM 0 HD1 PHE A 33 -1.784 -5.486 4.887 1.00 73.24 H new ATOM 0 HD2 PHE A 33 -3.257 -1.663 6.071 1.00 34.15 H new ATOM 0 HE1 PHE A 33 -0.115 -4.396 3.455 1.00 40.53 H new ATOM 0 HE2 PHE A 33 -1.583 -0.575 4.638 1.00 42.13 H new ATOM 0 HZ PHE A 33 0.003 -1.944 3.344 1.00 73.43 H new ATOM 515 N THR A 34 -6.746 -3.292 5.763 1.00 14.30 N ATOM 516 CA THR A 34 -7.646 -2.249 5.239 1.00 52.31 C ATOM 517 C THR A 34 -7.297 -0.860 5.790 1.00 74.33 C ATOM 518 O THR A 34 -7.363 -0.620 6.999 1.00 22.34 O ATOM 519 CB THR A 34 -9.129 -2.555 5.575 1.00 42.42 C ATOM 520 OG1 THR A 34 -9.505 -3.834 5.039 1.00 23.45 O ATOM 521 CG2 THR A 34 -10.057 -1.480 5.010 1.00 22.40 C ATOM 0 H THR A 34 -6.981 -3.614 6.702 1.00 14.30 H new ATOM 0 HA THR A 34 -7.509 -2.249 4.158 1.00 52.31 H new ATOM 0 HB THR A 34 -9.228 -2.567 6.660 1.00 42.42 H new ATOM 0 HG1 THR A 34 -10.442 -4.018 5.258 1.00 23.45 H new ATOM 0 HG21 THR A 34 -11.090 -1.722 5.262 1.00 22.40 H new ATOM 0 HG22 THR A 34 -9.796 -0.512 5.439 1.00 22.40 H new ATOM 0 HG23 THR A 34 -9.948 -1.438 3.926 1.00 22.40 H new ATOM 529 N ILE A 35 -6.929 0.054 4.896 1.00 34.00 N ATOM 530 CA ILE A 35 -6.645 1.444 5.267 1.00 1.21 C ATOM 531 C ILE A 35 -7.904 2.313 5.122 1.00 70.44 C ATOM 532 O ILE A 35 -8.236 2.761 4.022 1.00 20.30 O ATOM 533 CB ILE A 35 -5.520 2.039 4.383 1.00 60.53 C ATOM 534 CG1 ILE A 35 -4.261 1.163 4.451 1.00 33.31 C ATOM 535 CG2 ILE A 35 -5.207 3.478 4.801 1.00 32.44 C ATOM 536 CD1 ILE A 35 -3.143 1.638 3.546 1.00 32.33 C ATOM 0 H ILE A 35 -6.819 -0.142 3.901 1.00 34.00 H new ATOM 0 HA ILE A 35 -6.320 1.442 6.307 1.00 1.21 H new ATOM 0 HB ILE A 35 -5.867 2.056 3.350 1.00 60.53 H new ATOM 0 HG12 ILE A 35 -3.900 1.139 5.479 1.00 33.31 H new ATOM 0 HG13 ILE A 35 -4.525 0.140 4.182 1.00 33.31 H new ATOM 0 HG21 ILE A 35 -4.415 3.877 4.168 1.00 32.44 H new ATOM 0 HG22 ILE A 35 -6.102 4.091 4.692 1.00 32.44 H new ATOM 0 HG23 ILE A 35 -4.882 3.492 5.841 1.00 32.44 H new ATOM 0 HD11 ILE A 35 -2.286 0.972 3.646 1.00 32.33 H new ATOM 0 HD12 ILE A 35 -3.486 1.635 2.511 1.00 32.33 H new ATOM 0 HD13 ILE A 35 -2.851 2.650 3.828 1.00 32.33 H new ATOM 548 N LYS A 36 -8.610 2.528 6.225 1.00 32.42 N ATOM 549 CA LYS A 36 -9.831 3.343 6.209 1.00 34.25 C ATOM 550 C LYS A 36 -9.508 4.844 6.215 1.00 31.45 C ATOM 551 O LYS A 36 -8.499 5.276 6.782 1.00 60.14 O ATOM 552 CB LYS A 36 -10.722 2.987 7.410 1.00 45.25 C ATOM 553 CG LYS A 36 -11.179 1.531 7.417 1.00 33.25 C ATOM 554 CD LYS A 36 -12.000 1.192 8.660 1.00 64.20 C ATOM 555 CE LYS A 36 -12.393 -0.282 8.691 1.00 32.33 C ATOM 556 NZ LYS A 36 -13.175 -0.626 9.909 1.00 32.20 N ATOM 0 H LYS A 36 -8.364 2.154 7.141 1.00 32.42 H new ATOM 0 HA LYS A 36 -10.367 3.122 5.286 1.00 34.25 H new ATOM 0 HB2 LYS A 36 -10.177 3.193 8.331 1.00 45.25 H new ATOM 0 HB3 LYS A 36 -11.599 3.635 7.407 1.00 45.25 H new ATOM 0 HG2 LYS A 36 -11.774 1.334 6.525 1.00 33.25 H new ATOM 0 HG3 LYS A 36 -10.308 0.878 7.369 1.00 33.25 H new ATOM 0 HD2 LYS A 36 -11.425 1.434 9.554 1.00 64.20 H new ATOM 0 HD3 LYS A 36 -12.898 1.809 8.682 1.00 64.20 H new ATOM 0 HE2 LYS A 36 -12.981 -0.519 7.804 1.00 32.33 H new ATOM 0 HE3 LYS A 36 -11.494 -0.898 8.652 1.00 32.33 H new ATOM 0 HZ1 LYS A 36 -13.421 -1.636 9.890 1.00 32.20 H new ATOM 0 HZ2 LYS A 36 -12.605 -0.425 10.756 1.00 32.20 H new ATOM 0 HZ3 LYS A 36 -14.046 -0.058 9.934 1.00 32.20 H new ATOM 570 N GLY A 37 -10.361 5.634 5.574 1.00 13.45 N ATOM 571 CA GLY A 37 -10.185 7.083 5.548 1.00 50.34 C ATOM 572 C GLY A 37 -11.439 7.827 5.988 1.00 71.42 C ATOM 573 O GLY A 37 -12.232 7.308 6.775 1.00 25.22 O ATOM 0 H GLY A 37 -11.179 5.298 5.066 1.00 13.45 H new ATOM 0 HA2 GLY A 37 -9.355 7.357 6.199 1.00 50.34 H new ATOM 0 HA3 GLY A 37 -9.915 7.396 4.539 1.00 50.34 H new ATOM 577 N LYS A 38 -11.620 9.046 5.493 1.00 40.23 N ATOM 578 CA LYS A 38 -12.806 9.840 5.828 1.00 30.35 C ATOM 579 C LYS A 38 -14.073 9.262 5.160 1.00 21.32 C ATOM 580 O LYS A 38 -14.130 9.087 3.940 1.00 60.21 O ATOM 581 CB LYS A 38 -12.588 11.311 5.430 1.00 33.05 C ATOM 582 CG LYS A 38 -12.379 11.541 3.933 1.00 51.25 C ATOM 583 CD LYS A 38 -11.926 12.972 3.633 1.00 42.21 C ATOM 584 CE LYS A 38 -12.856 14.013 4.248 1.00 62.24 C ATOM 585 NZ LYS A 38 -14.249 13.889 3.748 1.00 11.43 N ATOM 0 H LYS A 38 -10.966 9.508 4.861 1.00 40.23 H new ATOM 0 HA LYS A 38 -12.959 9.793 6.906 1.00 30.35 H new ATOM 0 HB2 LYS A 38 -13.449 11.894 5.757 1.00 33.05 H new ATOM 0 HB3 LYS A 38 -11.721 11.695 5.968 1.00 33.05 H new ATOM 0 HG2 LYS A 38 -11.635 10.839 3.558 1.00 51.25 H new ATOM 0 HG3 LYS A 38 -13.308 11.335 3.401 1.00 51.25 H new ATOM 0 HD2 LYS A 38 -10.916 13.119 4.015 1.00 42.21 H new ATOM 0 HD3 LYS A 38 -11.883 13.119 2.554 1.00 42.21 H new ATOM 0 HE2 LYS A 38 -12.851 13.906 5.333 1.00 62.24 H new ATOM 0 HE3 LYS A 38 -12.479 15.011 4.024 1.00 62.24 H new ATOM 0 HZ1 LYS A 38 -14.829 14.658 4.141 1.00 11.43 H new ATOM 0 HZ2 LYS A 38 -14.252 13.949 2.710 1.00 11.43 H new ATOM 0 HZ3 LYS A 38 -14.643 12.973 4.043 1.00 11.43 H new ATOM 599 N GLY A 39 -15.082 8.947 5.976 1.00 10.55 N ATOM 600 CA GLY A 39 -16.309 8.339 5.467 1.00 52.31 C ATOM 601 C GLY A 39 -16.112 6.887 5.032 1.00 1.11 C ATOM 602 O GLY A 39 -15.483 6.098 5.743 1.00 21.23 O ATOM 0 H GLY A 39 -15.072 9.102 6.984 1.00 10.55 H new ATOM 0 HA2 GLY A 39 -17.078 8.382 6.239 1.00 52.31 H new ATOM 0 HA3 GLY A 39 -16.674 8.921 4.621 1.00 52.31 H new ATOM 606 N ALA A 40 -16.646 6.530 3.865 1.00 21.22 N ATOM 607 CA ALA A 40 -16.480 5.177 3.307 1.00 13.25 C ATOM 608 C ALA A 40 -15.282 5.100 2.342 1.00 42.11 C ATOM 609 O ALA A 40 -15.147 4.147 1.573 1.00 5.54 O ATOM 610 CB ALA A 40 -17.757 4.755 2.588 1.00 12.23 C ATOM 0 H ALA A 40 -17.200 7.157 3.281 1.00 21.22 H new ATOM 0 HA ALA A 40 -16.282 4.496 4.135 1.00 13.25 H new ATOM 0 HB1 ALA A 40 -17.629 3.754 2.177 1.00 12.23 H new ATOM 0 HB2 ALA A 40 -18.588 4.755 3.293 1.00 12.23 H new ATOM 0 HB3 ALA A 40 -17.968 5.455 1.779 1.00 12.23 H new ATOM 616 N GLN A 41 -14.412 6.103 2.391 1.00 64.51 N ATOM 617 CA GLN A 41 -13.260 6.178 1.487 1.00 73.51 C ATOM 618 C GLN A 41 -12.045 5.425 2.057 1.00 75.32 C ATOM 619 O GLN A 41 -11.322 5.939 2.907 1.00 1.24 O ATOM 620 CB GLN A 41 -12.920 7.649 1.215 1.00 73.14 C ATOM 621 CG GLN A 41 -14.067 8.408 0.553 1.00 30.01 C ATOM 622 CD GLN A 41 -13.807 9.896 0.365 1.00 12.54 C ATOM 623 OE1 GLN A 41 -14.730 10.699 0.406 1.00 51.11 O ATOM 624 NE2 GLN A 41 -12.564 10.276 0.145 1.00 72.13 N ATOM 0 H GLN A 41 -14.480 6.880 3.048 1.00 64.51 H new ATOM 0 HA GLN A 41 -13.522 5.692 0.547 1.00 73.51 H new ATOM 0 HB2 GLN A 41 -12.662 8.137 2.155 1.00 73.14 H new ATOM 0 HB3 GLN A 41 -12.039 7.701 0.576 1.00 73.14 H new ATOM 0 HG2 GLN A 41 -14.269 7.961 -0.420 1.00 30.01 H new ATOM 0 HG3 GLN A 41 -14.967 8.281 1.155 1.00 30.01 H new ATOM 0 HE21 GLN A 41 -11.816 9.583 0.117 1.00 72.13 H new ATOM 0 HE22 GLN A 41 -12.350 11.263 0.003 1.00 72.13 H new ATOM 633 N TYR A 42 -11.829 4.203 1.567 1.00 50.11 N ATOM 634 CA TYR A 42 -10.765 3.327 2.086 1.00 42.41 C ATOM 635 C TYR A 42 -9.933 2.696 0.954 1.00 44.13 C ATOM 636 O TYR A 42 -10.330 2.717 -0.215 1.00 10.41 O ATOM 637 CB TYR A 42 -11.388 2.199 2.926 1.00 54.03 C ATOM 638 CG TYR A 42 -12.140 1.172 2.090 1.00 42.11 C ATOM 639 CD1 TYR A 42 -13.421 1.435 1.613 1.00 61.02 C ATOM 640 CD2 TYR A 42 -11.559 -0.051 1.763 1.00 24.52 C ATOM 641 CE1 TYR A 42 -14.099 0.510 0.842 1.00 4.22 C ATOM 642 CE2 TYR A 42 -12.233 -0.980 0.993 1.00 42.45 C ATOM 643 CZ TYR A 42 -13.501 -0.693 0.533 1.00 33.42 C ATOM 644 OH TYR A 42 -14.174 -1.618 -0.234 1.00 71.45 O ATOM 0 H TYR A 42 -12.375 3.792 0.810 1.00 50.11 H new ATOM 0 HA TYR A 42 -10.104 3.944 2.695 1.00 42.41 H new ATOM 0 HB2 TYR A 42 -10.601 1.695 3.486 1.00 54.03 H new ATOM 0 HB3 TYR A 42 -12.071 2.633 3.656 1.00 54.03 H new ATOM 0 HD1 TYR A 42 -13.893 2.377 1.849 1.00 61.02 H new ATOM 0 HD2 TYR A 42 -10.564 -0.277 2.117 1.00 24.52 H new ATOM 0 HE1 TYR A 42 -15.094 0.729 0.483 1.00 4.22 H new ATOM 0 HE2 TYR A 42 -11.769 -1.925 0.753 1.00 42.45 H new ATOM 0 HH TYR A 42 -13.611 -2.410 -0.360 1.00 71.45 H new ATOM 654 N ASN A 43 -8.786 2.125 1.324 1.00 71.12 N ATOM 655 CA ASN A 43 -7.958 1.325 0.407 1.00 22.32 C ATOM 656 C ASN A 43 -7.659 -0.057 1.011 1.00 14.24 C ATOM 657 O ASN A 43 -7.106 -0.159 2.106 1.00 3.12 O ATOM 658 CB ASN A 43 -6.632 2.036 0.095 1.00 23.21 C ATOM 659 CG ASN A 43 -6.811 3.219 -0.830 1.00 51.42 C ATOM 660 OD1 ASN A 43 -6.996 4.348 -0.393 1.00 32.43 O ATOM 661 ND2 ASN A 43 -6.769 2.970 -2.122 1.00 54.11 N ATOM 0 H ASN A 43 -8.401 2.201 2.266 1.00 71.12 H new ATOM 0 HA ASN A 43 -8.521 1.203 -0.518 1.00 22.32 H new ATOM 0 HB2 ASN A 43 -6.177 2.373 1.026 1.00 23.21 H new ATOM 0 HB3 ASN A 43 -5.941 1.326 -0.359 1.00 23.21 H new ATOM 0 HD21 ASN A 43 -6.892 3.729 -2.792 1.00 54.11 H new ATOM 0 HD22 ASN A 43 -6.613 2.018 -2.453 1.00 54.11 H new ATOM 668 N LEU A 44 -8.028 -1.115 0.297 1.00 73.13 N ATOM 669 CA LEU A 44 -7.739 -2.487 0.741 1.00 64.31 C ATOM 670 C LEU A 44 -6.405 -2.969 0.153 1.00 75.21 C ATOM 671 O LEU A 44 -6.294 -3.196 -1.053 1.00 70.43 O ATOM 672 CB LEU A 44 -8.877 -3.439 0.338 1.00 32.12 C ATOM 673 CG LEU A 44 -8.673 -4.917 0.727 1.00 25.43 C ATOM 674 CD1 LEU A 44 -8.525 -5.064 2.238 1.00 25.44 C ATOM 675 CD2 LEU A 44 -9.826 -5.777 0.209 1.00 43.10 C ATOM 0 H LEU A 44 -8.527 -1.056 -0.591 1.00 73.13 H new ATOM 0 HA LEU A 44 -7.661 -2.487 1.828 1.00 64.31 H new ATOM 0 HB2 LEU A 44 -9.802 -3.085 0.794 1.00 32.12 H new ATOM 0 HB3 LEU A 44 -9.011 -3.381 -0.742 1.00 32.12 H new ATOM 0 HG LEU A 44 -7.752 -5.267 0.261 1.00 25.43 H new ATOM 0 HD11 LEU A 44 -8.382 -6.115 2.489 1.00 25.44 H new ATOM 0 HD12 LEU A 44 -7.663 -4.490 2.577 1.00 25.44 H new ATOM 0 HD13 LEU A 44 -9.424 -4.693 2.730 1.00 25.44 H new ATOM 0 HD21 LEU A 44 -9.662 -6.816 0.495 1.00 43.10 H new ATOM 0 HD22 LEU A 44 -10.764 -5.426 0.640 1.00 43.10 H new ATOM 0 HD23 LEU A 44 -9.876 -5.703 -0.877 1.00 43.10 H new ATOM 687 N MET A 45 -5.396 -3.120 1.007 1.00 45.01 N ATOM 688 CA MET A 45 -4.045 -3.480 0.559 1.00 33.23 C ATOM 689 C MET A 45 -3.761 -4.979 0.744 1.00 21.21 C ATOM 690 O MET A 45 -4.089 -5.564 1.778 1.00 0.34 O ATOM 691 CB MET A 45 -3.005 -2.661 1.333 1.00 51.14 C ATOM 692 CG MET A 45 -3.209 -1.156 1.237 1.00 10.12 C ATOM 693 SD MET A 45 -3.082 -0.536 -0.454 1.00 34.20 S ATOM 694 CE MET A 45 -1.383 -0.948 -0.850 1.00 63.33 C ATOM 0 H MET A 45 -5.484 -2.999 2.016 1.00 45.01 H new ATOM 0 HA MET A 45 -3.980 -3.256 -0.506 1.00 33.23 H new ATOM 0 HB2 MET A 45 -3.033 -2.955 2.382 1.00 51.14 H new ATOM 0 HB3 MET A 45 -2.011 -2.908 0.959 1.00 51.14 H new ATOM 0 HG2 MET A 45 -4.189 -0.901 1.639 1.00 10.12 H new ATOM 0 HG3 MET A 45 -2.468 -0.654 1.859 1.00 10.12 H new ATOM 0 HE1 MET A 45 -1.075 -0.402 -1.742 1.00 63.33 H new ATOM 0 HE2 MET A 45 -0.738 -0.673 -0.015 1.00 63.33 H new ATOM 0 HE3 MET A 45 -1.302 -2.019 -1.034 1.00 63.33 H new ATOM 704 N GLU A 46 -3.139 -5.590 -0.262 1.00 53.15 N ATOM 705 CA GLU A 46 -2.771 -7.010 -0.210 1.00 0.30 C ATOM 706 C GLU A 46 -1.270 -7.208 -0.484 1.00 3.31 C ATOM 707 O GLU A 46 -0.782 -6.918 -1.579 1.00 23.45 O ATOM 708 CB GLU A 46 -3.603 -7.811 -1.227 1.00 51.55 C ATOM 709 CG GLU A 46 -3.244 -9.295 -1.295 1.00 71.34 C ATOM 710 CD GLU A 46 -4.132 -10.075 -2.254 1.00 60.11 C ATOM 711 OE1 GLU A 46 -4.023 -9.867 -3.478 1.00 74.33 O ATOM 712 OE2 GLU A 46 -4.944 -10.905 -1.788 1.00 34.33 O ATOM 0 H GLU A 46 -2.876 -5.123 -1.130 1.00 53.15 H new ATOM 0 HA GLU A 46 -2.983 -7.376 0.795 1.00 0.30 H new ATOM 0 HB2 GLU A 46 -4.659 -7.715 -0.973 1.00 51.55 H new ATOM 0 HB3 GLU A 46 -3.471 -7.371 -2.215 1.00 51.55 H new ATOM 0 HG2 GLU A 46 -2.204 -9.398 -1.605 1.00 71.34 H new ATOM 0 HG3 GLU A 46 -3.324 -9.729 -0.298 1.00 71.34 H new ATOM 719 N VAL A 47 -0.542 -7.693 0.522 1.00 1.45 N ATOM 720 CA VAL A 47 0.881 -8.019 0.376 1.00 31.34 C ATOM 721 C VAL A 47 1.073 -9.537 0.235 1.00 63.33 C ATOM 722 O VAL A 47 0.926 -10.283 1.203 1.00 23.11 O ATOM 723 CB VAL A 47 1.708 -7.525 1.595 1.00 74.02 C ATOM 724 CG1 VAL A 47 3.202 -7.775 1.378 1.00 32.33 C ATOM 725 CG2 VAL A 47 1.433 -6.049 1.879 1.00 65.53 C ATOM 0 H VAL A 47 -0.916 -7.871 1.454 1.00 1.45 H new ATOM 0 HA VAL A 47 1.235 -7.512 -0.521 1.00 31.34 H new ATOM 0 HB VAL A 47 1.396 -8.097 2.469 1.00 74.02 H new ATOM 0 HG11 VAL A 47 3.760 -7.421 2.245 1.00 32.33 H new ATOM 0 HG12 VAL A 47 3.377 -8.843 1.246 1.00 32.33 H new ATOM 0 HG13 VAL A 47 3.535 -7.240 0.489 1.00 32.33 H new ATOM 0 HG21 VAL A 47 2.024 -5.727 2.737 1.00 65.53 H new ATOM 0 HG22 VAL A 47 1.705 -5.454 1.007 1.00 65.53 H new ATOM 0 HG23 VAL A 47 0.374 -5.911 2.096 1.00 65.53 H new ATOM 735 N ASP A 48 1.403 -9.993 -0.968 1.00 32.14 N ATOM 736 CA ASP A 48 1.577 -11.423 -1.225 1.00 33.34 C ATOM 737 C ASP A 48 3.050 -11.759 -1.484 1.00 50.31 C ATOM 738 O ASP A 48 3.670 -11.224 -2.408 1.00 52.42 O ATOM 739 CB ASP A 48 0.720 -11.855 -2.414 1.00 40.50 C ATOM 740 CG ASP A 48 0.707 -13.363 -2.580 1.00 63.15 C ATOM 741 OD1 ASP A 48 -0.103 -14.027 -1.901 1.00 33.03 O ATOM 742 OD2 ASP A 48 1.517 -13.890 -3.370 1.00 1.50 O ATOM 0 H ASP A 48 1.556 -9.397 -1.781 1.00 32.14 H new ATOM 0 HA ASP A 48 1.254 -11.969 -0.339 1.00 33.34 H new ATOM 0 HB2 ASP A 48 -0.300 -11.496 -2.277 1.00 40.50 H new ATOM 0 HB3 ASP A 48 1.101 -11.392 -3.324 1.00 40.50 H new ATOM 747 N GLY A 49 3.603 -12.658 -0.677 1.00 51.34 N ATOM 748 CA GLY A 49 5.014 -13.006 -0.791 1.00 61.44 C ATOM 749 C GLY A 49 5.924 -11.797 -0.616 1.00 54.12 C ATOM 750 O GLY A 49 6.058 -11.273 0.490 1.00 24.21 O ATOM 0 H GLY A 49 3.100 -13.155 0.058 1.00 51.34 H new ATOM 0 HA2 GLY A 49 5.263 -13.757 -0.041 1.00 61.44 H new ATOM 0 HA3 GLY A 49 5.197 -13.457 -1.766 1.00 61.44 H new ATOM 754 N GLU A 50 6.531 -11.340 -1.712 1.00 62.44 N ATOM 755 CA GLU A 50 7.439 -10.183 -1.677 1.00 65.15 C ATOM 756 C GLU A 50 6.948 -9.050 -2.601 1.00 73.14 C ATOM 757 O GLU A 50 7.733 -8.219 -3.060 1.00 45.24 O ATOM 758 CB GLU A 50 8.857 -10.624 -2.077 1.00 10.01 C ATOM 759 CG GLU A 50 9.375 -11.812 -1.270 1.00 35.31 C ATOM 760 CD GLU A 50 10.807 -12.193 -1.611 1.00 35.14 C ATOM 761 OE1 GLU A 50 11.093 -12.461 -2.797 1.00 65.54 O ATOM 762 OE2 GLU A 50 11.651 -12.237 -0.689 1.00 43.55 O ATOM 0 H GLU A 50 6.413 -11.751 -2.638 1.00 62.44 H new ATOM 0 HA GLU A 50 7.455 -9.793 -0.659 1.00 65.15 H new ATOM 0 HB2 GLU A 50 8.863 -10.883 -3.136 1.00 10.01 H new ATOM 0 HB3 GLU A 50 9.540 -9.784 -1.951 1.00 10.01 H new ATOM 0 HG2 GLU A 50 9.313 -11.576 -0.208 1.00 35.31 H new ATOM 0 HG3 GLU A 50 8.727 -12.671 -1.444 1.00 35.31 H new ATOM 769 N ARG A 51 5.637 -9.009 -2.853 1.00 25.15 N ATOM 770 CA ARG A 51 5.036 -7.958 -3.685 1.00 63.33 C ATOM 771 C ARG A 51 3.707 -7.460 -3.092 1.00 64.31 C ATOM 772 O ARG A 51 2.982 -8.214 -2.440 1.00 32.24 O ATOM 773 CB ARG A 51 4.831 -8.465 -5.123 1.00 60.24 C ATOM 774 CG ARG A 51 4.038 -9.768 -5.220 1.00 4.01 C ATOM 775 CD ARG A 51 3.910 -10.247 -6.665 1.00 25.21 C ATOM 776 NE ARG A 51 5.216 -10.452 -7.290 1.00 32.01 N ATOM 777 CZ ARG A 51 5.411 -10.546 -8.576 1.00 33.33 C ATOM 778 NH1 ARG A 51 4.417 -10.490 -9.405 1.00 32.53 N ATOM 779 NH2 ARG A 51 6.610 -10.707 -9.029 1.00 53.34 N ATOM 0 H ARG A 51 4.969 -9.691 -2.493 1.00 25.15 H new ATOM 0 HA ARG A 51 5.725 -7.113 -3.705 1.00 63.33 H new ATOM 0 HB2 ARG A 51 4.316 -7.695 -5.698 1.00 60.24 H new ATOM 0 HB3 ARG A 51 5.806 -8.611 -5.588 1.00 60.24 H new ATOM 0 HG2 ARG A 51 4.529 -10.537 -4.624 1.00 4.01 H new ATOM 0 HG3 ARG A 51 3.045 -9.622 -4.796 1.00 4.01 H new ATOM 0 HD2 ARG A 51 3.346 -11.179 -6.690 1.00 25.21 H new ATOM 0 HD3 ARG A 51 3.343 -9.516 -7.241 1.00 25.21 H new ATOM 0 HE ARG A 51 6.029 -10.526 -6.679 1.00 32.01 H new ATOM 0 HH11 ARG A 51 3.467 -10.371 -9.054 1.00 32.53 H new ATOM 0 HH12 ARG A 51 4.585 -10.565 -10.408 1.00 32.53 H new ATOM 0 HH21 ARG A 51 7.397 -10.760 -8.382 1.00 53.34 H new ATOM 0 HH22 ARG A 51 6.770 -10.781 -10.034 1.00 53.34 H new ATOM 793 N ILE A 52 3.390 -6.187 -3.335 1.00 53.34 N ATOM 794 CA ILE A 52 2.199 -5.550 -2.749 1.00 52.31 C ATOM 795 C ILE A 52 1.307 -4.891 -3.821 1.00 33.22 C ATOM 796 O ILE A 52 1.798 -4.386 -4.829 1.00 53.02 O ATOM 797 CB ILE A 52 2.616 -4.486 -1.696 1.00 22.02 C ATOM 798 CG1 ILE A 52 1.379 -3.812 -1.067 1.00 32.24 C ATOM 799 CG2 ILE A 52 3.544 -3.443 -2.321 1.00 74.30 C ATOM 800 CD1 ILE A 52 1.709 -2.789 0.002 1.00 72.13 C ATOM 0 H ILE A 52 3.940 -5.572 -3.934 1.00 53.34 H new ATOM 0 HA ILE A 52 1.620 -6.338 -2.267 1.00 52.31 H new ATOM 0 HB ILE A 52 3.160 -4.995 -0.900 1.00 22.02 H new ATOM 0 HG12 ILE A 52 0.803 -3.326 -1.855 1.00 32.24 H new ATOM 0 HG13 ILE A 52 0.740 -4.581 -0.634 1.00 32.24 H new ATOM 0 HG21 ILE A 52 3.824 -2.707 -1.567 1.00 74.30 H new ATOM 0 HG22 ILE A 52 4.440 -3.934 -2.700 1.00 74.30 H new ATOM 0 HG23 ILE A 52 3.029 -2.944 -3.142 1.00 74.30 H new ATOM 0 HD11 ILE A 52 0.786 -2.361 0.394 1.00 72.13 H new ATOM 0 HD12 ILE A 52 2.257 -3.272 0.811 1.00 72.13 H new ATOM 0 HD13 ILE A 52 2.321 -1.997 -0.429 1.00 72.13 H new ATOM 812 N ARG A 53 -0.010 -4.908 -3.596 1.00 10.00 N ATOM 813 CA ARG A 53 -0.962 -4.239 -4.495 1.00 14.42 C ATOM 814 C ARG A 53 -2.187 -3.729 -3.729 1.00 54.14 C ATOM 815 O ARG A 53 -2.394 -4.071 -2.565 1.00 4.33 O ATOM 816 CB ARG A 53 -1.447 -5.195 -5.593 1.00 74.50 C ATOM 817 CG ARG A 53 -2.326 -6.330 -5.072 1.00 13.11 C ATOM 818 CD ARG A 53 -3.090 -7.022 -6.197 1.00 11.51 C ATOM 819 NE ARG A 53 -3.888 -8.139 -5.700 1.00 32.54 N ATOM 820 CZ ARG A 53 -4.945 -8.617 -6.298 1.00 62.45 C ATOM 821 NH1 ARG A 53 -5.377 -8.097 -7.403 1.00 33.44 N ATOM 822 NH2 ARG A 53 -5.572 -9.621 -5.786 1.00 43.52 N ATOM 0 H ARG A 53 -0.443 -5.377 -2.800 1.00 10.00 H new ATOM 0 HA ARG A 53 -0.433 -3.397 -4.942 1.00 14.42 H new ATOM 0 HB2 ARG A 53 -2.005 -4.627 -6.337 1.00 74.50 H new ATOM 0 HB3 ARG A 53 -0.581 -5.621 -6.101 1.00 74.50 H new ATOM 0 HG2 ARG A 53 -1.706 -7.060 -4.552 1.00 13.11 H new ATOM 0 HG3 ARG A 53 -3.033 -5.936 -4.342 1.00 13.11 H new ATOM 0 HD2 ARG A 53 -3.741 -6.301 -6.692 1.00 11.51 H new ATOM 0 HD3 ARG A 53 -2.386 -7.383 -6.947 1.00 11.51 H new ATOM 0 HE ARG A 53 -3.599 -8.576 -4.825 1.00 32.54 H new ATOM 0 HH11 ARG A 53 -4.890 -7.303 -7.818 1.00 33.44 H new ATOM 0 HH12 ARG A 53 -6.205 -8.482 -7.858 1.00 33.44 H new ATOM 0 HH21 ARG A 53 -5.241 -10.039 -4.916 1.00 43.52 H new ATOM 0 HH22 ARG A 53 -6.398 -9.997 -6.251 1.00 43.52 H new ATOM 836 N ILE A 54 -2.999 -2.911 -4.393 1.00 21.51 N ATOM 837 CA ILE A 54 -4.314 -2.543 -3.864 1.00 24.10 C ATOM 838 C ILE A 54 -5.380 -3.530 -4.366 1.00 42.32 C ATOM 839 O ILE A 54 -5.699 -3.573 -5.556 1.00 54.51 O ATOM 840 CB ILE A 54 -4.712 -1.095 -4.250 1.00 24.34 C ATOM 841 CG1 ILE A 54 -3.712 -0.095 -3.642 1.00 1.54 C ATOM 842 CG2 ILE A 54 -6.139 -0.783 -3.790 1.00 13.44 C ATOM 843 CD1 ILE A 54 -4.089 1.357 -3.841 1.00 44.01 C ATOM 0 H ILE A 54 -2.773 -2.491 -5.295 1.00 21.51 H new ATOM 0 HA ILE A 54 -4.253 -2.590 -2.777 1.00 24.10 H new ATOM 0 HB ILE A 54 -4.683 -1.002 -5.336 1.00 24.34 H new ATOM 0 HG12 ILE A 54 -3.622 -0.292 -2.574 1.00 1.54 H new ATOM 0 HG13 ILE A 54 -2.730 -0.267 -4.082 1.00 1.54 H new ATOM 0 HG21 ILE A 54 -6.397 0.238 -4.071 1.00 13.44 H new ATOM 0 HG22 ILE A 54 -6.834 -1.476 -4.264 1.00 13.44 H new ATOM 0 HG23 ILE A 54 -6.203 -0.888 -2.707 1.00 13.44 H new ATOM 0 HD11 ILE A 54 -3.333 1.995 -3.383 1.00 44.01 H new ATOM 0 HD12 ILE A 54 -4.150 1.574 -4.907 1.00 44.01 H new ATOM 0 HD13 ILE A 54 -5.056 1.549 -3.376 1.00 44.01 H new ATOM 855 N LYS A 55 -5.907 -4.330 -3.448 1.00 11.14 N ATOM 856 CA LYS A 55 -6.864 -5.392 -3.776 1.00 53.45 C ATOM 857 C LYS A 55 -8.256 -4.818 -4.100 1.00 60.00 C ATOM 858 O LYS A 55 -8.944 -5.292 -5.007 1.00 62.55 O ATOM 859 CB LYS A 55 -6.940 -6.368 -2.596 1.00 30.30 C ATOM 860 CG LYS A 55 -7.687 -7.667 -2.887 1.00 25.24 C ATOM 861 CD LYS A 55 -7.475 -8.679 -1.763 1.00 12.34 C ATOM 862 CE LYS A 55 -8.106 -10.030 -2.070 1.00 23.32 C ATOM 863 NZ LYS A 55 -7.641 -11.071 -1.114 1.00 33.44 N ATOM 0 H LYS A 55 -5.687 -4.265 -2.454 1.00 11.14 H new ATOM 0 HA LYS A 55 -6.521 -5.916 -4.668 1.00 53.45 H new ATOM 0 HB2 LYS A 55 -5.926 -6.612 -2.278 1.00 30.30 H new ATOM 0 HB3 LYS A 55 -7.425 -5.866 -1.758 1.00 30.30 H new ATOM 0 HG2 LYS A 55 -8.751 -7.462 -3.001 1.00 25.24 H new ATOM 0 HG3 LYS A 55 -7.340 -8.087 -3.831 1.00 25.24 H new ATOM 0 HD2 LYS A 55 -6.406 -8.811 -1.593 1.00 12.34 H new ATOM 0 HD3 LYS A 55 -7.898 -8.285 -0.839 1.00 12.34 H new ATOM 0 HE2 LYS A 55 -9.192 -9.947 -2.021 1.00 23.32 H new ATOM 0 HE3 LYS A 55 -7.855 -10.329 -3.088 1.00 23.32 H new ATOM 0 HZ1 LYS A 55 -8.220 -11.928 -1.225 1.00 33.44 H new ATOM 0 HZ2 LYS A 55 -6.645 -11.299 -1.306 1.00 33.44 H new ATOM 0 HZ3 LYS A 55 -7.733 -10.715 -0.141 1.00 33.44 H new ATOM 877 N GLU A 56 -8.661 -3.797 -3.350 1.00 61.42 N ATOM 878 CA GLU A 56 -9.931 -3.094 -3.587 1.00 3.32 C ATOM 879 C GLU A 56 -9.812 -1.626 -3.152 1.00 31.53 C ATOM 880 O GLU A 56 -9.071 -1.312 -2.223 1.00 62.32 O ATOM 881 CB GLU A 56 -11.081 -3.784 -2.833 1.00 73.23 C ATOM 882 CG GLU A 56 -12.450 -3.138 -3.043 1.00 31.32 C ATOM 883 CD GLU A 56 -12.894 -3.137 -4.502 1.00 55.30 C ATOM 884 OE1 GLU A 56 -13.398 -4.179 -4.978 1.00 44.11 O ATOM 885 OE2 GLU A 56 -12.744 -2.101 -5.181 1.00 73.53 O ATOM 0 H GLU A 56 -8.126 -3.430 -2.563 1.00 61.42 H new ATOM 0 HA GLU A 56 -10.152 -3.128 -4.654 1.00 3.32 H new ATOM 0 HB2 GLU A 56 -11.132 -4.826 -3.148 1.00 73.23 H new ATOM 0 HB3 GLU A 56 -10.852 -3.784 -1.767 1.00 73.23 H new ATOM 0 HG2 GLU A 56 -13.191 -3.668 -2.444 1.00 31.32 H new ATOM 0 HG3 GLU A 56 -12.420 -2.111 -2.678 1.00 31.32 H new ATOM 892 N ASP A 57 -10.532 -0.732 -3.815 1.00 42.32 N ATOM 893 CA ASP A 57 -10.423 0.704 -3.537 1.00 62.24 C ATOM 894 C ASP A 57 -11.700 1.456 -3.935 1.00 54.54 C ATOM 895 O ASP A 57 -12.216 1.301 -5.042 1.00 61.33 O ATOM 896 CB ASP A 57 -9.184 1.267 -4.257 1.00 63.34 C ATOM 897 CG ASP A 57 -9.267 2.758 -4.550 1.00 34.35 C ATOM 898 OD1 ASP A 57 -8.919 3.566 -3.662 1.00 74.33 O ATOM 899 OD2 ASP A 57 -9.681 3.126 -5.669 1.00 53.20 O ATOM 0 H ASP A 57 -11.199 -0.969 -4.549 1.00 42.32 H new ATOM 0 HA ASP A 57 -10.304 0.848 -2.463 1.00 62.24 H new ATOM 0 HB2 ASP A 57 -8.302 1.075 -3.646 1.00 63.34 H new ATOM 0 HB3 ASP A 57 -9.045 0.729 -5.195 1.00 63.34 H new ATOM 904 N ASN A 58 -12.203 2.277 -3.016 1.00 42.25 N ATOM 905 CA ASN A 58 -13.419 3.062 -3.253 1.00 23.52 C ATOM 906 C ASN A 58 -13.065 4.486 -3.719 1.00 22.34 C ATOM 907 O ASN A 58 -13.308 5.472 -3.014 1.00 40.13 O ATOM 908 CB ASN A 58 -14.278 3.093 -1.977 1.00 50.35 C ATOM 909 CG ASN A 58 -15.597 3.831 -2.154 1.00 43.11 C ATOM 910 OD1 ASN A 58 -16.120 3.954 -3.256 1.00 3.14 O ATOM 911 ND2 ASN A 58 -16.159 4.310 -1.062 1.00 53.44 N ATOM 0 H ASN A 58 -11.787 2.418 -2.095 1.00 42.25 H new ATOM 0 HA ASN A 58 -13.997 2.589 -4.047 1.00 23.52 H new ATOM 0 HB2 ASN A 58 -14.482 2.070 -1.660 1.00 50.35 H new ATOM 0 HB3 ASN A 58 -13.710 3.567 -1.177 1.00 50.35 H new ATOM 0 HD21 ASN A 58 -17.053 4.798 -1.120 1.00 53.44 H new ATOM 0 HD22 ASN A 58 -15.700 4.192 -0.159 1.00 53.44 H new ATOM 918 N SER A 59 -12.441 4.579 -4.892 1.00 0.01 N ATOM 919 CA SER A 59 -12.072 5.874 -5.488 1.00 24.30 C ATOM 920 C SER A 59 -12.572 5.977 -6.935 1.00 12.31 C ATOM 921 O SER A 59 -12.507 5.004 -7.691 1.00 11.23 O ATOM 922 CB SER A 59 -10.548 6.073 -5.456 1.00 22.34 C ATOM 923 OG SER A 59 -10.170 7.308 -6.052 1.00 11.45 O ATOM 0 H SER A 59 -12.177 3.771 -5.456 1.00 0.01 H new ATOM 0 HA SER A 59 -12.547 6.656 -4.895 1.00 24.30 H new ATOM 0 HB2 SER A 59 -10.198 6.044 -4.424 1.00 22.34 H new ATOM 0 HB3 SER A 59 -10.062 5.251 -5.981 1.00 22.34 H new ATOM 0 HG SER A 59 -9.228 7.267 -6.320 1.00 11.45 H new ATOM 929 N PRO A 60 -13.084 7.155 -7.347 1.00 15.13 N ATOM 930 CA PRO A 60 -13.597 7.363 -8.718 1.00 60.23 C ATOM 931 C PRO A 60 -12.536 7.093 -9.797 1.00 71.44 C ATOM 932 O PRO A 60 -12.833 6.559 -10.866 1.00 4.33 O ATOM 933 CB PRO A 60 -14.007 8.847 -8.728 1.00 51.42 C ATOM 934 CG PRO A 60 -14.195 9.204 -7.291 1.00 54.54 C ATOM 935 CD PRO A 60 -13.208 8.372 -6.523 1.00 43.42 C ATOM 0 HA PRO A 60 -14.413 6.678 -8.950 1.00 60.23 H new ATOM 0 HB2 PRO A 60 -13.239 9.466 -9.191 1.00 51.42 H new ATOM 0 HB3 PRO A 60 -14.925 8.999 -9.296 1.00 51.42 H new ATOM 0 HG2 PRO A 60 -14.019 10.267 -7.127 1.00 54.54 H new ATOM 0 HG3 PRO A 60 -15.215 8.996 -6.968 1.00 54.54 H new ATOM 0 HD2 PRO A 60 -12.251 8.882 -6.411 1.00 43.42 H new ATOM 0 HD3 PRO A 60 -13.567 8.144 -5.519 1.00 43.42 H new ATOM 943 N ASP A 61 -11.295 7.459 -9.493 1.00 23.12 N ATOM 944 CA ASP A 61 -10.186 7.335 -10.443 1.00 12.24 C ATOM 945 C ASP A 61 -9.685 5.885 -10.583 1.00 75.02 C ATOM 946 O ASP A 61 -9.172 5.501 -11.636 1.00 62.41 O ATOM 947 CB ASP A 61 -9.041 8.247 -10.001 1.00 43.42 C ATOM 948 CG ASP A 61 -9.488 9.691 -9.869 1.00 45.22 C ATOM 949 OD1 ASP A 61 -9.499 10.410 -10.889 1.00 21.25 O ATOM 950 OD2 ASP A 61 -9.842 10.110 -8.747 1.00 23.33 O ATOM 0 H ASP A 61 -11.027 7.848 -8.589 1.00 23.12 H new ATOM 0 HA ASP A 61 -10.554 7.637 -11.424 1.00 12.24 H new ATOM 0 HB2 ASP A 61 -8.648 7.900 -9.045 1.00 43.42 H new ATOM 0 HB3 ASP A 61 -8.227 8.183 -10.723 1.00 43.42 H new ATOM 955 N GLN A 62 -9.816 5.092 -9.513 1.00 54.15 N ATOM 956 CA GLN A 62 -9.385 3.677 -9.516 1.00 25.20 C ATOM 957 C GLN A 62 -7.894 3.502 -9.886 1.00 71.11 C ATOM 958 O GLN A 62 -7.462 2.406 -10.251 1.00 54.22 O ATOM 959 CB GLN A 62 -10.270 2.858 -10.476 1.00 50.22 C ATOM 960 CG GLN A 62 -11.715 2.695 -10.009 1.00 62.55 C ATOM 961 CD GLN A 62 -11.846 1.773 -8.807 1.00 2.44 C ATOM 962 OE1 GLN A 62 -12.037 0.568 -8.946 1.00 32.43 O ATOM 963 NE2 GLN A 62 -11.731 2.322 -7.617 1.00 10.43 N ATOM 0 H GLN A 62 -10.218 5.402 -8.628 1.00 54.15 H new ATOM 0 HA GLN A 62 -9.502 3.307 -8.497 1.00 25.20 H new ATOM 0 HB2 GLN A 62 -10.268 3.339 -11.454 1.00 50.22 H new ATOM 0 HB3 GLN A 62 -9.828 1.870 -10.606 1.00 50.22 H new ATOM 0 HG2 GLN A 62 -12.123 3.674 -9.756 1.00 62.55 H new ATOM 0 HG3 GLN A 62 -12.315 2.302 -10.830 1.00 62.55 H new ATOM 0 HE21 GLN A 62 -11.573 3.326 -7.532 1.00 10.43 H new ATOM 0 HE22 GLN A 62 -11.800 1.744 -6.780 1.00 10.43 H new ATOM 972 N VAL A 63 -7.107 4.574 -9.758 1.00 72.20 N ATOM 973 CA VAL A 63 -5.675 4.542 -10.109 1.00 22.43 C ATOM 974 C VAL A 63 -4.927 3.407 -9.391 1.00 52.34 C ATOM 975 O VAL A 63 -4.084 2.732 -9.987 1.00 54.44 O ATOM 976 CB VAL A 63 -4.985 5.893 -9.780 1.00 2.43 C ATOM 977 CG1 VAL A 63 -3.494 5.852 -10.130 1.00 23.52 C ATOM 978 CG2 VAL A 63 -5.676 7.040 -10.513 1.00 50.33 C ATOM 0 H VAL A 63 -7.433 5.477 -9.414 1.00 72.20 H new ATOM 0 HA VAL A 63 -5.628 4.362 -11.183 1.00 22.43 H new ATOM 0 HB VAL A 63 -5.074 6.063 -8.707 1.00 2.43 H new ATOM 0 HG11 VAL A 63 -3.037 6.812 -9.889 1.00 23.52 H new ATOM 0 HG12 VAL A 63 -3.007 5.064 -9.556 1.00 23.52 H new ATOM 0 HG13 VAL A 63 -3.376 5.651 -11.195 1.00 23.52 H new ATOM 0 HG21 VAL A 63 -5.179 7.979 -10.270 1.00 50.33 H new ATOM 0 HG22 VAL A 63 -5.623 6.869 -11.588 1.00 50.33 H new ATOM 0 HG23 VAL A 63 -6.720 7.092 -10.205 1.00 50.33 H new ATOM 988 N GLY A 64 -5.243 3.197 -8.113 1.00 71.20 N ATOM 989 CA GLY A 64 -4.608 2.128 -7.345 1.00 60.24 C ATOM 990 C GLY A 64 -4.801 0.743 -7.963 1.00 3.34 C ATOM 991 O GLY A 64 -3.856 -0.047 -8.051 1.00 2.35 O ATOM 0 H GLY A 64 -5.927 3.747 -7.593 1.00 71.20 H new ATOM 0 HA2 GLY A 64 -3.541 2.335 -7.260 1.00 60.24 H new ATOM 0 HA3 GLY A 64 -5.014 2.127 -6.333 1.00 60.24 H new ATOM 995 N VAL A 65 -6.025 0.458 -8.404 1.00 25.12 N ATOM 996 CA VAL A 65 -6.348 -0.820 -9.047 1.00 13.20 C ATOM 997 C VAL A 65 -5.594 -0.977 -10.381 1.00 53.34 C ATOM 998 O VAL A 65 -5.136 -2.068 -10.727 1.00 42.13 O ATOM 999 CB VAL A 65 -7.874 -0.940 -9.300 1.00 63.53 C ATOM 1000 CG1 VAL A 65 -8.225 -2.304 -9.892 1.00 53.55 C ATOM 1001 CG2 VAL A 65 -8.654 -0.693 -8.010 1.00 51.43 C ATOM 0 H VAL A 65 -6.816 1.098 -8.328 1.00 25.12 H new ATOM 0 HA VAL A 65 -6.034 -1.614 -8.369 1.00 13.20 H new ATOM 0 HB VAL A 65 -8.158 -0.176 -10.024 1.00 63.53 H new ATOM 0 HG11 VAL A 65 -9.300 -2.362 -10.060 1.00 53.55 H new ATOM 0 HG12 VAL A 65 -7.702 -2.435 -10.840 1.00 53.55 H new ATOM 0 HG13 VAL A 65 -7.923 -3.090 -9.200 1.00 53.55 H new ATOM 0 HG21 VAL A 65 -9.722 -0.782 -8.208 1.00 51.43 H new ATOM 0 HG22 VAL A 65 -8.362 -1.429 -7.261 1.00 51.43 H new ATOM 0 HG23 VAL A 65 -8.436 0.308 -7.639 1.00 51.43 H new ATOM 1011 N LYS A 66 -5.463 0.127 -11.115 1.00 41.14 N ATOM 1012 CA LYS A 66 -4.764 0.133 -12.409 1.00 34.42 C ATOM 1013 C LYS A 66 -3.261 -0.170 -12.263 1.00 1.45 C ATOM 1014 O LYS A 66 -2.678 -0.880 -13.085 1.00 64.23 O ATOM 1015 CB LYS A 66 -4.956 1.493 -13.098 1.00 11.50 C ATOM 1016 CG LYS A 66 -6.408 1.795 -13.455 1.00 20.44 C ATOM 1017 CD LYS A 66 -6.562 3.180 -14.077 1.00 4.40 C ATOM 1018 CE LYS A 66 -7.977 3.412 -14.587 1.00 14.30 C ATOM 1019 NZ LYS A 66 -8.349 2.444 -15.656 1.00 31.31 N ATOM 0 H LYS A 66 -5.833 1.036 -10.837 1.00 41.14 H new ATOM 0 HA LYS A 66 -5.199 -0.659 -13.018 1.00 34.42 H new ATOM 0 HB2 LYS A 66 -4.580 2.279 -12.443 1.00 11.50 H new ATOM 0 HB3 LYS A 66 -4.354 1.519 -14.006 1.00 11.50 H new ATOM 0 HG2 LYS A 66 -6.776 1.041 -14.151 1.00 20.44 H new ATOM 0 HG3 LYS A 66 -7.024 1.729 -12.558 1.00 20.44 H new ATOM 0 HD2 LYS A 66 -6.312 3.941 -13.338 1.00 4.40 H new ATOM 0 HD3 LYS A 66 -5.856 3.290 -14.900 1.00 4.40 H new ATOM 0 HE2 LYS A 66 -8.680 3.325 -13.759 1.00 14.30 H new ATOM 0 HE3 LYS A 66 -8.062 4.428 -14.972 1.00 14.30 H new ATOM 0 HZ1 LYS A 66 -9.159 2.814 -16.193 1.00 31.31 H new ATOM 0 HZ2 LYS A 66 -7.542 2.308 -16.297 1.00 31.31 H new ATOM 0 HZ3 LYS A 66 -8.607 1.533 -15.225 1.00 31.31 H new ATOM 1033 N MET A 67 -2.636 0.388 -11.224 1.00 41.22 N ATOM 1034 CA MET A 67 -1.207 0.159 -10.959 1.00 75.52 C ATOM 1035 C MET A 67 -0.931 -1.313 -10.606 1.00 1.43 C ATOM 1036 O MET A 67 0.062 -1.895 -11.052 1.00 24.22 O ATOM 1037 CB MET A 67 -0.721 1.077 -9.827 1.00 21.13 C ATOM 1038 CG MET A 67 -0.733 2.556 -10.191 1.00 52.14 C ATOM 1039 SD MET A 67 0.383 2.936 -11.558 1.00 12.04 S ATOM 1040 CE MET A 67 0.127 4.699 -11.730 1.00 62.13 C ATOM 0 H MET A 67 -3.094 1.002 -10.550 1.00 41.22 H new ATOM 0 HA MET A 67 -0.656 0.395 -11.870 1.00 75.52 H new ATOM 0 HB2 MET A 67 -1.350 0.922 -8.950 1.00 21.13 H new ATOM 0 HB3 MET A 67 0.292 0.789 -9.547 1.00 21.13 H new ATOM 0 HG2 MET A 67 -1.747 2.853 -10.459 1.00 52.14 H new ATOM 0 HG3 MET A 67 -0.449 3.145 -9.319 1.00 52.14 H new ATOM 0 HE1 MET A 67 0.751 5.080 -12.538 1.00 62.13 H new ATOM 0 HE2 MET A 67 -0.921 4.894 -11.958 1.00 62.13 H new ATOM 0 HE3 MET A 67 0.395 5.198 -10.799 1.00 62.13 H new ATOM 1050 N GLY A 68 -1.814 -1.902 -9.801 1.00 62.54 N ATOM 1051 CA GLY A 68 -1.711 -3.319 -9.466 1.00 52.12 C ATOM 1052 C GLY A 68 -0.500 -3.677 -8.609 1.00 43.14 C ATOM 1053 O GLY A 68 -0.253 -3.051 -7.577 1.00 13.20 O ATOM 0 H GLY A 68 -2.605 -1.422 -9.371 1.00 62.54 H new ATOM 0 HA2 GLY A 68 -2.616 -3.622 -8.940 1.00 52.12 H new ATOM 0 HA3 GLY A 68 -1.671 -3.896 -10.390 1.00 52.12 H new ATOM 1057 N TRP A 69 0.252 -4.694 -9.038 1.00 64.54 N ATOM 1058 CA TRP A 69 1.382 -5.218 -8.256 1.00 21.24 C ATOM 1059 C TRP A 69 2.636 -4.334 -8.358 1.00 63.13 C ATOM 1060 O TRP A 69 3.011 -3.880 -9.440 1.00 11.20 O ATOM 1061 CB TRP A 69 1.743 -6.642 -8.712 1.00 52.42 C ATOM 1062 CG TRP A 69 0.709 -7.683 -8.386 1.00 71.34 C ATOM 1063 CD1 TRP A 69 -0.165 -8.272 -9.255 1.00 10.45 C ATOM 1064 CD2 TRP A 69 0.443 -8.260 -7.100 1.00 65.12 C ATOM 1065 NE1 TRP A 69 -0.945 -9.188 -8.592 1.00 65.15 N ATOM 1066 CE2 TRP A 69 -0.594 -9.197 -7.268 1.00 1.15 C ATOM 1067 CE3 TRP A 69 0.987 -8.079 -5.825 1.00 30.52 C ATOM 1068 CZ2 TRP A 69 -1.102 -9.945 -6.208 1.00 53.31 C ATOM 1069 CZ3 TRP A 69 0.481 -8.821 -4.773 1.00 52.03 C ATOM 1070 CH2 TRP A 69 -0.553 -9.747 -4.971 1.00 43.22 C ATOM 0 H TRP A 69 0.100 -5.174 -9.925 1.00 64.54 H new ATOM 0 HA TRP A 69 1.054 -5.224 -7.216 1.00 21.24 H new ATOM 0 HB2 TRP A 69 1.905 -6.634 -9.790 1.00 52.42 H new ATOM 0 HB3 TRP A 69 2.687 -6.929 -8.250 1.00 52.42 H new ATOM 0 HD1 TRP A 69 -0.233 -8.050 -10.310 1.00 10.45 H new ATOM 0 HE1 TRP A 69 -1.669 -9.768 -9.017 1.00 65.15 H new ATOM 0 HE3 TRP A 69 1.788 -7.373 -5.664 1.00 30.52 H new ATOM 0 HZ2 TRP A 69 -1.901 -10.656 -6.358 1.00 53.31 H new ATOM 0 HZ3 TRP A 69 0.889 -8.685 -3.782 1.00 52.03 H new ATOM 0 HH2 TRP A 69 -0.923 -10.315 -4.130 1.00 43.22 H new ATOM 1081 N LYS A 70 3.284 -4.111 -7.218 1.00 72.21 N ATOM 1082 CA LYS A 70 4.571 -3.406 -7.151 1.00 15.41 C ATOM 1083 C LYS A 70 5.555 -4.194 -6.263 1.00 42.25 C ATOM 1084 O LYS A 70 5.146 -4.798 -5.267 1.00 60.23 O ATOM 1085 CB LYS A 70 4.371 -1.993 -6.579 1.00 45.30 C ATOM 1086 CG LYS A 70 3.453 -1.090 -7.406 1.00 20.20 C ATOM 1087 CD LYS A 70 4.031 -0.772 -8.786 1.00 71.22 C ATOM 1088 CE LYS A 70 3.200 0.274 -9.525 1.00 35.22 C ATOM 1089 NZ LYS A 70 3.798 0.628 -10.838 1.00 50.10 N ATOM 0 H LYS A 70 2.934 -4.413 -6.309 1.00 72.21 H new ATOM 0 HA LYS A 70 4.982 -3.326 -8.158 1.00 15.41 H new ATOM 0 HB2 LYS A 70 3.962 -2.078 -5.572 1.00 45.30 H new ATOM 0 HB3 LYS A 70 5.345 -1.512 -6.488 1.00 45.30 H new ATOM 0 HG2 LYS A 70 2.484 -1.574 -7.525 1.00 20.20 H new ATOM 0 HG3 LYS A 70 3.281 -0.160 -6.865 1.00 20.20 H new ATOM 0 HD2 LYS A 70 5.054 -0.412 -8.677 1.00 71.22 H new ATOM 0 HD3 LYS A 70 4.076 -1.685 -9.380 1.00 71.22 H new ATOM 0 HE2 LYS A 70 2.190 -0.106 -9.677 1.00 35.22 H new ATOM 0 HE3 LYS A 70 3.115 1.171 -8.911 1.00 35.22 H new ATOM 0 HZ1 LYS A 70 3.205 1.341 -11.309 1.00 50.10 H new ATOM 0 HZ2 LYS A 70 4.753 1.014 -10.692 1.00 50.10 H new ATOM 0 HZ3 LYS A 70 3.856 -0.223 -11.434 1.00 50.10 H new ATOM 1103 N SER A 71 6.847 -4.195 -6.611 1.00 61.35 N ATOM 1104 CA SER A 71 7.843 -4.971 -5.842 1.00 73.40 C ATOM 1105 C SER A 71 9.293 -4.523 -6.095 1.00 63.40 C ATOM 1106 O SER A 71 10.233 -5.225 -5.714 1.00 72.30 O ATOM 1107 CB SER A 71 7.717 -6.468 -6.167 1.00 13.34 C ATOM 1108 OG SER A 71 8.014 -6.732 -7.531 1.00 12.04 O ATOM 0 H SER A 71 7.228 -3.679 -7.404 1.00 61.35 H new ATOM 0 HA SER A 71 7.624 -4.786 -4.790 1.00 73.40 H new ATOM 0 HB2 SER A 71 8.393 -7.038 -5.530 1.00 13.34 H new ATOM 0 HB3 SER A 71 6.706 -6.806 -5.942 1.00 13.34 H new ATOM 0 HG SER A 71 7.927 -7.692 -7.705 1.00 12.04 H new ATOM 1114 N LYS A 72 9.484 -3.363 -6.719 1.00 41.11 N ATOM 1115 CA LYS A 72 10.834 -2.868 -7.035 1.00 3.04 C ATOM 1116 C LYS A 72 11.093 -1.474 -6.437 1.00 45.35 C ATOM 1117 O LYS A 72 10.168 -0.682 -6.250 1.00 14.21 O ATOM 1118 CB LYS A 72 11.042 -2.823 -8.559 1.00 1.23 C ATOM 1119 CG LYS A 72 10.986 -4.192 -9.239 1.00 12.14 C ATOM 1120 CD LYS A 72 12.077 -5.138 -8.731 1.00 2.40 C ATOM 1121 CE LYS A 72 13.476 -4.545 -8.896 1.00 64.53 C ATOM 1122 NZ LYS A 72 13.791 -4.231 -10.313 1.00 44.34 N ATOM 0 H LYS A 72 8.729 -2.746 -7.017 1.00 41.11 H new ATOM 0 HA LYS A 72 11.545 -3.562 -6.586 1.00 3.04 H new ATOM 0 HB2 LYS A 72 10.281 -2.179 -9.000 1.00 1.23 H new ATOM 0 HB3 LYS A 72 12.008 -2.364 -8.769 1.00 1.23 H new ATOM 0 HG2 LYS A 72 10.008 -4.642 -9.065 1.00 12.14 H new ATOM 0 HG3 LYS A 72 11.091 -4.065 -10.316 1.00 12.14 H new ATOM 0 HD2 LYS A 72 11.901 -5.362 -7.679 1.00 2.40 H new ATOM 0 HD3 LYS A 72 12.018 -6.082 -9.272 1.00 2.40 H new ATOM 0 HE2 LYS A 72 13.556 -3.637 -8.298 1.00 64.53 H new ATOM 0 HE3 LYS A 72 14.214 -5.248 -8.509 1.00 64.53 H new ATOM 0 HZ1 LYS A 72 14.783 -3.928 -10.389 1.00 44.34 H new ATOM 0 HZ2 LYS A 72 13.642 -5.078 -10.898 1.00 44.34 H new ATOM 0 HZ3 LYS A 72 13.169 -3.467 -10.646 1.00 44.34 H new ATOM 1136 N ALA A 73 12.362 -1.185 -6.135 1.00 65.02 N ATOM 1137 CA ALA A 73 12.756 0.128 -5.614 1.00 72.25 C ATOM 1138 C ALA A 73 12.399 1.252 -6.604 1.00 0.55 C ATOM 1139 O ALA A 73 12.973 1.354 -7.690 1.00 31.54 O ATOM 1140 CB ALA A 73 14.249 0.147 -5.296 1.00 11.45 C ATOM 0 H ALA A 73 13.134 -1.842 -6.242 1.00 65.02 H new ATOM 0 HA ALA A 73 12.200 0.306 -4.694 1.00 72.25 H new ATOM 0 HB1 ALA A 73 14.526 1.128 -4.910 1.00 11.45 H new ATOM 0 HB2 ALA A 73 14.471 -0.613 -4.547 1.00 11.45 H new ATOM 0 HB3 ALA A 73 14.817 -0.060 -6.203 1.00 11.45 H new ATOM 1146 N GLY A 74 11.436 2.086 -6.225 1.00 31.00 N ATOM 1147 CA GLY A 74 10.965 3.151 -7.105 1.00 2.22 C ATOM 1148 C GLY A 74 9.475 3.044 -7.401 1.00 40.14 C ATOM 1149 O GLY A 74 8.839 4.030 -7.786 1.00 62.33 O ATOM 0 H GLY A 74 10.968 2.046 -5.319 1.00 31.00 H new ATOM 0 HA2 GLY A 74 11.173 4.117 -6.645 1.00 2.22 H new ATOM 0 HA3 GLY A 74 11.522 3.118 -8.041 1.00 2.22 H new ATOM 1153 N ASP A 75 8.920 1.846 -7.231 1.00 52.43 N ATOM 1154 CA ASP A 75 7.486 1.617 -7.415 1.00 52.22 C ATOM 1155 C ASP A 75 6.659 2.412 -6.390 1.00 45.31 C ATOM 1156 O ASP A 75 6.846 2.268 -5.179 1.00 2.22 O ATOM 1157 CB ASP A 75 7.172 0.123 -7.284 1.00 31.12 C ATOM 1158 CG ASP A 75 7.740 -0.718 -8.417 1.00 30.30 C ATOM 1159 OD1 ASP A 75 8.296 -0.150 -9.382 1.00 62.42 O ATOM 1160 OD2 ASP A 75 7.620 -1.961 -8.351 1.00 24.22 O ATOM 0 H ASP A 75 9.445 1.013 -6.964 1.00 52.43 H new ATOM 0 HA ASP A 75 7.216 1.960 -8.414 1.00 52.22 H new ATOM 0 HB2 ASP A 75 7.569 -0.242 -6.337 1.00 31.12 H new ATOM 0 HB3 ASP A 75 6.091 -0.011 -7.249 1.00 31.12 H new ATOM 1165 N THR A 76 5.748 3.251 -6.879 1.00 51.34 N ATOM 1166 CA THR A 76 4.922 4.094 -6.004 1.00 31.43 C ATOM 1167 C THR A 76 3.428 4.006 -6.351 1.00 72.14 C ATOM 1168 O THR A 76 3.043 3.940 -7.520 1.00 70.44 O ATOM 1169 CB THR A 76 5.355 5.579 -6.078 1.00 24.24 C ATOM 1170 OG1 THR A 76 5.288 6.051 -7.434 1.00 10.24 O ATOM 1171 CG2 THR A 76 6.769 5.771 -5.536 1.00 41.32 C ATOM 0 H THR A 76 5.560 3.368 -7.875 1.00 51.34 H new ATOM 0 HA THR A 76 5.074 3.713 -4.994 1.00 31.43 H new ATOM 0 HB THR A 76 4.668 6.157 -5.459 1.00 24.24 H new ATOM 0 HG1 THR A 76 5.562 6.991 -7.467 1.00 10.24 H new ATOM 0 HG21 THR A 76 7.044 6.824 -5.601 1.00 41.32 H new ATOM 0 HG22 THR A 76 6.806 5.450 -4.495 1.00 41.32 H new ATOM 0 HG23 THR A 76 7.468 5.176 -6.124 1.00 41.32 H new ATOM 1179 N ILE A 77 2.592 4.016 -5.318 1.00 2.32 N ATOM 1180 CA ILE A 77 1.135 4.009 -5.473 1.00 15.53 C ATOM 1181 C ILE A 77 0.538 5.321 -4.945 1.00 31.51 C ATOM 1182 O ILE A 77 0.673 5.639 -3.762 1.00 2.53 O ATOM 1183 CB ILE A 77 0.492 2.823 -4.704 1.00 24.01 C ATOM 1184 CG1 ILE A 77 1.056 1.480 -5.194 1.00 53.13 C ATOM 1185 CG2 ILE A 77 -1.028 2.853 -4.839 1.00 75.02 C ATOM 1186 CD1 ILE A 77 0.764 1.186 -6.650 1.00 34.13 C ATOM 0 H ILE A 77 2.903 4.029 -4.347 1.00 2.32 H new ATOM 0 HA ILE A 77 0.920 3.901 -6.536 1.00 15.53 H new ATOM 0 HB ILE A 77 0.743 2.929 -3.649 1.00 24.01 H new ATOM 0 HG12 ILE A 77 2.135 1.473 -5.042 1.00 53.13 H new ATOM 0 HG13 ILE A 77 0.643 0.679 -4.582 1.00 53.13 H new ATOM 0 HG21 ILE A 77 -1.458 2.014 -4.293 1.00 75.02 H new ATOM 0 HG22 ILE A 77 -1.411 3.787 -4.429 1.00 75.02 H new ATOM 0 HG23 ILE A 77 -1.301 2.779 -5.892 1.00 75.02 H new ATOM 0 HD11 ILE A 77 1.194 0.222 -6.920 1.00 34.13 H new ATOM 0 HD12 ILE A 77 -0.314 1.159 -6.807 1.00 34.13 H new ATOM 0 HD13 ILE A 77 1.202 1.966 -7.273 1.00 34.13 H new ATOM 1198 N VAL A 78 -0.117 6.086 -5.822 1.00 72.52 N ATOM 1199 CA VAL A 78 -0.694 7.378 -5.431 1.00 30.22 C ATOM 1200 C VAL A 78 -2.234 7.350 -5.465 1.00 3.24 C ATOM 1201 O VAL A 78 -2.843 7.204 -6.530 1.00 44.15 O ATOM 1202 CB VAL A 78 -0.183 8.513 -6.359 1.00 45.50 C ATOM 1203 CG1 VAL A 78 -0.705 9.872 -5.897 1.00 70.33 C ATOM 1204 CG2 VAL A 78 1.347 8.508 -6.428 1.00 30.14 C ATOM 0 H VAL A 78 -0.261 5.837 -6.801 1.00 72.52 H new ATOM 0 HA VAL A 78 -0.374 7.571 -4.407 1.00 30.22 H new ATOM 0 HB VAL A 78 -0.568 8.331 -7.362 1.00 45.50 H new ATOM 0 HG11 VAL A 78 -0.333 10.650 -6.563 1.00 70.33 H new ATOM 0 HG12 VAL A 78 -1.795 9.869 -5.916 1.00 70.33 H new ATOM 0 HG13 VAL A 78 -0.360 10.068 -4.882 1.00 70.33 H new ATOM 0 HG21 VAL A 78 1.684 9.311 -7.083 1.00 30.14 H new ATOM 0 HG22 VAL A 78 1.757 8.659 -5.429 1.00 30.14 H new ATOM 0 HG23 VAL A 78 1.690 7.551 -6.821 1.00 30.14 H new ATOM 1214 N CYS A 79 -2.856 7.516 -4.297 1.00 51.32 N ATOM 1215 CA CYS A 79 -4.321 7.584 -4.188 1.00 42.12 C ATOM 1216 C CYS A 79 -4.760 8.910 -3.550 1.00 33.35 C ATOM 1217 O CYS A 79 -5.084 8.967 -2.362 1.00 34.40 O ATOM 1218 CB CYS A 79 -4.864 6.398 -3.372 1.00 25.21 C ATOM 1219 SG CYS A 79 -4.573 4.782 -4.128 1.00 11.34 S ATOM 0 H CYS A 79 -2.368 7.607 -3.406 1.00 51.32 H new ATOM 0 HA CYS A 79 -4.734 7.530 -5.195 1.00 42.12 H new ATOM 0 HB2 CYS A 79 -4.405 6.412 -2.383 1.00 25.21 H new ATOM 0 HB3 CYS A 79 -5.936 6.531 -3.228 1.00 25.21 H new ATOM 0 HG CYS A 79 -5.712 4.194 -4.347 1.00 11.34 H new ATOM 1225 N LEU A 80 -4.771 9.973 -4.353 1.00 32.53 N ATOM 1226 CA LEU A 80 -5.076 11.328 -3.864 1.00 73.51 C ATOM 1227 C LEU A 80 -6.476 11.438 -3.215 1.00 2.25 C ATOM 1228 O LEU A 80 -6.602 12.000 -2.126 1.00 55.51 O ATOM 1229 CB LEU A 80 -4.920 12.350 -5.001 1.00 61.32 C ATOM 1230 CG LEU A 80 -3.510 12.427 -5.617 1.00 64.41 C ATOM 1231 CD1 LEU A 80 -3.475 13.426 -6.771 1.00 11.21 C ATOM 1232 CD2 LEU A 80 -2.472 12.794 -4.556 1.00 53.13 C ATOM 0 H LEU A 80 -4.572 9.927 -5.352 1.00 32.53 H new ATOM 0 HA LEU A 80 -4.356 11.550 -3.076 1.00 73.51 H new ATOM 0 HB2 LEU A 80 -5.632 12.106 -5.789 1.00 61.32 H new ATOM 0 HB3 LEU A 80 -5.189 13.336 -4.623 1.00 61.32 H new ATOM 0 HG LEU A 80 -3.261 11.442 -6.011 1.00 64.41 H new ATOM 0 HD11 LEU A 80 -2.469 13.463 -7.190 1.00 11.21 H new ATOM 0 HD12 LEU A 80 -4.178 13.115 -7.543 1.00 11.21 H new ATOM 0 HD13 LEU A 80 -3.752 14.415 -6.405 1.00 11.21 H new ATOM 0 HD21 LEU A 80 -1.484 12.842 -5.015 1.00 53.13 H new ATOM 0 HD22 LEU A 80 -2.720 13.764 -4.125 1.00 53.13 H new ATOM 0 HD23 LEU A 80 -2.471 12.038 -3.771 1.00 53.13 H new ATOM 1244 N PRO A 81 -7.554 10.905 -3.849 1.00 25.01 N ATOM 1245 CA PRO A 81 -8.914 10.927 -3.254 1.00 54.13 C ATOM 1246 C PRO A 81 -8.988 10.276 -1.857 1.00 24.31 C ATOM 1247 O PRO A 81 -9.953 10.472 -1.119 1.00 4.54 O ATOM 1248 CB PRO A 81 -9.758 10.133 -4.262 1.00 30.14 C ATOM 1249 CG PRO A 81 -9.023 10.266 -5.552 1.00 71.25 C ATOM 1250 CD PRO A 81 -7.563 10.279 -5.189 1.00 54.51 C ATOM 0 HA PRO A 81 -9.255 11.949 -3.091 1.00 54.13 H new ATOM 0 HB2 PRO A 81 -9.852 9.089 -3.965 1.00 30.14 H new ATOM 0 HB3 PRO A 81 -10.768 10.535 -4.338 1.00 30.14 H new ATOM 0 HG2 PRO A 81 -9.253 9.437 -6.221 1.00 71.25 H new ATOM 0 HG3 PRO A 81 -9.306 11.182 -6.071 1.00 71.25 H new ATOM 0 HD2 PRO A 81 -7.145 9.273 -5.166 1.00 54.51 H new ATOM 0 HD3 PRO A 81 -6.975 10.853 -5.905 1.00 54.51 H new ATOM 1258 N HIS A 82 -7.975 9.478 -1.506 1.00 35.32 N ATOM 1259 CA HIS A 82 -7.901 8.849 -0.175 1.00 13.45 C ATOM 1260 C HIS A 82 -6.668 9.325 0.608 1.00 11.34 C ATOM 1261 O HIS A 82 -6.458 8.926 1.753 1.00 31.22 O ATOM 1262 CB HIS A 82 -7.878 7.321 -0.305 1.00 60.50 C ATOM 1263 CG HIS A 82 -9.134 6.739 -0.883 1.00 54.22 C ATOM 1264 ND1 HIS A 82 -9.214 5.456 -1.374 1.00 10.25 N ATOM 1265 CD2 HIS A 82 -10.375 7.263 -1.028 1.00 43.24 C ATOM 1266 CE1 HIS A 82 -10.434 5.217 -1.789 1.00 64.54 C ATOM 1267 NE2 HIS A 82 -11.163 6.294 -1.594 1.00 54.03 N ATOM 0 H HIS A 82 -7.194 9.250 -2.121 1.00 35.32 H new ATOM 0 HA HIS A 82 -8.790 9.150 0.379 1.00 13.45 H new ATOM 0 HB2 HIS A 82 -7.034 7.033 -0.932 1.00 60.50 H new ATOM 0 HB3 HIS A 82 -7.707 6.885 0.679 1.00 60.50 H new ATOM 0 HD1 HIS A 82 -8.441 4.792 -1.410 1.00 10.25 H new ATOM 0 HD2 HIS A 82 -10.686 8.259 -0.749 1.00 43.24 H new ATOM 0 HE1 HIS A 82 -10.783 4.290 -2.219 1.00 64.54 H new ATOM 1276 N LYS A 83 -5.860 10.176 -0.030 1.00 62.10 N ATOM 1277 CA LYS A 83 -4.643 10.737 0.581 1.00 73.42 C ATOM 1278 C LYS A 83 -3.643 9.641 0.999 1.00 12.51 C ATOM 1279 O LYS A 83 -2.845 9.830 1.918 1.00 53.41 O ATOM 1280 CB LYS A 83 -5.015 11.630 1.776 1.00 2.12 C ATOM 1281 CG LYS A 83 -5.949 12.777 1.397 1.00 62.22 C ATOM 1282 CD LYS A 83 -6.256 13.692 2.579 1.00 41.11 C ATOM 1283 CE LYS A 83 -7.216 14.811 2.187 1.00 64.41 C ATOM 1284 NZ LYS A 83 -6.699 15.619 1.046 1.00 60.33 N ATOM 0 H LYS A 83 -6.027 10.498 -0.983 1.00 62.10 H new ATOM 0 HA LYS A 83 -4.144 11.345 -0.173 1.00 73.42 H new ATOM 0 HB2 LYS A 83 -5.491 11.020 2.544 1.00 2.12 H new ATOM 0 HB3 LYS A 83 -4.105 12.040 2.213 1.00 2.12 H new ATOM 0 HG2 LYS A 83 -5.496 13.362 0.597 1.00 62.22 H new ATOM 0 HG3 LYS A 83 -6.881 12.369 1.005 1.00 62.22 H new ATOM 0 HD2 LYS A 83 -6.690 13.107 3.390 1.00 41.11 H new ATOM 0 HD3 LYS A 83 -5.329 14.123 2.957 1.00 41.11 H new ATOM 0 HE2 LYS A 83 -8.182 14.382 1.919 1.00 64.41 H new ATOM 0 HE3 LYS A 83 -7.383 15.462 3.045 1.00 64.41 H new ATOM 0 HZ1 LYS A 83 -7.261 16.489 0.954 1.00 60.33 H new ATOM 0 HZ2 LYS A 83 -5.704 15.867 1.219 1.00 60.33 H new ATOM 0 HZ3 LYS A 83 -6.771 15.066 0.168 1.00 60.33 H new ATOM 1298 N VAL A 84 -3.673 8.510 0.296 1.00 13.23 N ATOM 1299 CA VAL A 84 -2.756 7.394 0.562 1.00 50.01 C ATOM 1300 C VAL A 84 -1.595 7.380 -0.447 1.00 65.41 C ATOM 1301 O VAL A 84 -1.808 7.507 -1.655 1.00 64.55 O ATOM 1302 CB VAL A 84 -3.498 6.029 0.501 1.00 44.50 C ATOM 1303 CG1 VAL A 84 -2.541 4.867 0.783 1.00 52.12 C ATOM 1304 CG2 VAL A 84 -4.673 6.006 1.479 1.00 41.41 C ATOM 0 H VAL A 84 -4.326 8.338 -0.468 1.00 13.23 H new ATOM 0 HA VAL A 84 -2.358 7.540 1.566 1.00 50.01 H new ATOM 0 HB VAL A 84 -3.889 5.907 -0.509 1.00 44.50 H new ATOM 0 HG11 VAL A 84 -3.088 3.925 0.734 1.00 52.12 H new ATOM 0 HG12 VAL A 84 -1.744 4.863 0.039 1.00 52.12 H new ATOM 0 HG13 VAL A 84 -2.109 4.984 1.777 1.00 52.12 H new ATOM 0 HG21 VAL A 84 -5.177 5.042 1.419 1.00 41.41 H new ATOM 0 HG22 VAL A 84 -4.305 6.161 2.493 1.00 41.41 H new ATOM 0 HG23 VAL A 84 -5.375 6.799 1.223 1.00 41.41 H new ATOM 1314 N PHE A 85 -0.372 7.228 0.057 1.00 52.15 N ATOM 1315 CA PHE A 85 0.824 7.176 -0.791 1.00 1.00 C ATOM 1316 C PHE A 85 1.777 6.062 -0.332 1.00 0.33 C ATOM 1317 O PHE A 85 2.283 6.083 0.789 1.00 60.11 O ATOM 1318 CB PHE A 85 1.552 8.528 -0.771 1.00 43.14 C ATOM 1319 CG PHE A 85 2.813 8.554 -1.606 1.00 43.14 C ATOM 1320 CD1 PHE A 85 2.747 8.741 -2.981 1.00 71.32 C ATOM 1321 CD2 PHE A 85 4.061 8.388 -1.017 1.00 11.05 C ATOM 1322 CE1 PHE A 85 3.898 8.760 -3.747 1.00 61.43 C ATOM 1323 CE2 PHE A 85 5.212 8.406 -1.780 1.00 11.11 C ATOM 1324 CZ PHE A 85 5.132 8.594 -3.146 1.00 31.21 C ATOM 0 H PHE A 85 -0.180 7.138 1.055 1.00 52.15 H new ATOM 0 HA PHE A 85 0.504 6.958 -1.810 1.00 1.00 H new ATOM 0 HB2 PHE A 85 0.873 9.301 -1.131 1.00 43.14 H new ATOM 0 HB3 PHE A 85 1.804 8.779 0.259 1.00 43.14 H new ATOM 0 HD1 PHE A 85 1.786 8.873 -3.457 1.00 71.32 H new ATOM 0 HD2 PHE A 85 4.131 8.243 0.051 1.00 11.05 H new ATOM 0 HE1 PHE A 85 3.833 8.905 -4.815 1.00 61.43 H new ATOM 0 HE2 PHE A 85 6.175 8.273 -1.309 1.00 11.11 H new ATOM 0 HZ PHE A 85 6.032 8.611 -3.743 1.00 31.21 H new ATOM 1334 N VAL A 86 2.018 5.091 -1.210 1.00 14.10 N ATOM 1335 CA VAL A 86 2.941 3.984 -0.920 1.00 71.55 C ATOM 1336 C VAL A 86 4.193 4.067 -1.811 1.00 33.15 C ATOM 1337 O VAL A 86 4.086 4.258 -3.019 1.00 62.44 O ATOM 1338 CB VAL A 86 2.257 2.607 -1.140 1.00 74.12 C ATOM 1339 CG1 VAL A 86 3.196 1.461 -0.754 1.00 24.33 C ATOM 1340 CG2 VAL A 86 0.944 2.523 -0.360 1.00 11.31 C ATOM 0 H VAL A 86 1.587 5.044 -2.133 1.00 14.10 H new ATOM 0 HA VAL A 86 3.231 4.075 0.127 1.00 71.55 H new ATOM 0 HB VAL A 86 2.028 2.509 -2.201 1.00 74.12 H new ATOM 0 HG11 VAL A 86 2.693 0.508 -0.917 1.00 24.33 H new ATOM 0 HG12 VAL A 86 4.096 1.506 -1.367 1.00 24.33 H new ATOM 0 HG13 VAL A 86 3.468 1.552 0.298 1.00 24.33 H new ATOM 0 HG21 VAL A 86 0.482 1.550 -0.529 1.00 11.31 H new ATOM 0 HG22 VAL A 86 1.144 2.650 0.704 1.00 11.31 H new ATOM 0 HG23 VAL A 86 0.269 3.309 -0.699 1.00 11.31 H new ATOM 1350 N GLU A 87 5.375 3.936 -1.215 1.00 33.32 N ATOM 1351 CA GLU A 87 6.629 3.945 -1.983 1.00 34.42 C ATOM 1352 C GLU A 87 7.543 2.777 -1.577 1.00 33.13 C ATOM 1353 O GLU A 87 7.765 2.524 -0.391 1.00 21.13 O ATOM 1354 CB GLU A 87 7.367 5.284 -1.806 1.00 53.05 C ATOM 1355 CG GLU A 87 7.824 5.570 -0.376 1.00 35.02 C ATOM 1356 CD GLU A 87 8.597 6.876 -0.250 1.00 21.15 C ATOM 1357 OE1 GLU A 87 9.714 6.971 -0.806 1.00 53.10 O ATOM 1358 OE2 GLU A 87 8.096 7.816 0.405 1.00 21.04 O ATOM 0 H GLU A 87 5.497 3.823 -0.209 1.00 33.32 H new ATOM 0 HA GLU A 87 6.371 3.823 -3.035 1.00 34.42 H new ATOM 0 HB2 GLU A 87 8.238 5.294 -2.461 1.00 53.05 H new ATOM 0 HB3 GLU A 87 6.712 6.092 -2.133 1.00 53.05 H new ATOM 0 HG2 GLU A 87 6.953 5.605 0.278 1.00 35.02 H new ATOM 0 HG3 GLU A 87 8.450 4.748 -0.029 1.00 35.02 H new ATOM 1365 N ILE A 88 8.062 2.058 -2.567 1.00 42.04 N ATOM 1366 CA ILE A 88 8.972 0.938 -2.313 1.00 43.41 C ATOM 1367 C ILE A 88 10.439 1.365 -2.467 1.00 61.33 C ATOM 1368 O ILE A 88 10.825 1.971 -3.467 1.00 61.11 O ATOM 1369 CB ILE A 88 8.674 -0.251 -3.254 1.00 74.52 C ATOM 1370 CG1 ILE A 88 7.210 -0.698 -3.093 1.00 22.12 C ATOM 1371 CG2 ILE A 88 9.628 -1.415 -2.977 1.00 14.12 C ATOM 1372 CD1 ILE A 88 6.823 -1.857 -3.984 1.00 71.21 C ATOM 0 H ILE A 88 7.870 2.228 -3.554 1.00 42.04 H new ATOM 0 HA ILE A 88 8.807 0.620 -1.284 1.00 43.41 H new ATOM 0 HB ILE A 88 8.829 0.073 -4.283 1.00 74.52 H new ATOM 0 HG12 ILE A 88 7.038 -0.978 -2.054 1.00 22.12 H new ATOM 0 HG13 ILE A 88 6.556 0.147 -3.308 1.00 22.12 H new ATOM 0 HG21 ILE A 88 9.400 -2.241 -3.651 1.00 14.12 H new ATOM 0 HG22 ILE A 88 10.656 -1.089 -3.137 1.00 14.12 H new ATOM 0 HG23 ILE A 88 9.509 -1.745 -1.945 1.00 14.12 H new ATOM 0 HD11 ILE A 88 5.778 -2.114 -3.813 1.00 71.21 H new ATOM 0 HD12 ILE A 88 6.962 -1.576 -5.028 1.00 71.21 H new ATOM 0 HD13 ILE A 88 7.451 -2.718 -3.754 1.00 71.21 H new ATOM 1384 N LYS A 89 11.250 1.038 -1.467 1.00 35.34 N ATOM 1385 CA LYS A 89 12.665 1.423 -1.441 1.00 2.20 C ATOM 1386 C LYS A 89 13.540 0.262 -0.951 1.00 61.24 C ATOM 1387 O LYS A 89 13.073 -0.604 -0.215 1.00 54.34 O ATOM 1388 CB LYS A 89 12.848 2.636 -0.521 1.00 32.45 C ATOM 1389 CG LYS A 89 12.282 2.423 0.883 1.00 35.11 C ATOM 1390 CD LYS A 89 12.418 3.665 1.760 1.00 31.23 C ATOM 1391 CE LYS A 89 11.723 4.877 1.147 1.00 40.32 C ATOM 1392 NZ LYS A 89 11.873 6.092 1.991 1.00 3.13 N ATOM 0 H LYS A 89 10.951 0.501 -0.653 1.00 35.34 H new ATOM 0 HA LYS A 89 12.974 1.679 -2.454 1.00 2.20 H new ATOM 0 HB2 LYS A 89 13.910 2.868 -0.445 1.00 32.45 H new ATOM 0 HB3 LYS A 89 12.364 3.502 -0.973 1.00 32.45 H new ATOM 0 HG2 LYS A 89 11.230 2.147 0.810 1.00 35.11 H new ATOM 0 HG3 LYS A 89 12.798 1.588 1.357 1.00 35.11 H new ATOM 0 HD2 LYS A 89 11.993 3.463 2.743 1.00 31.23 H new ATOM 0 HD3 LYS A 89 13.474 3.890 1.909 1.00 31.23 H new ATOM 0 HE2 LYS A 89 12.137 5.070 0.157 1.00 40.32 H new ATOM 0 HE3 LYS A 89 10.664 4.658 1.012 1.00 40.32 H new ATOM 0 HZ1 LYS A 89 11.386 6.892 1.538 1.00 3.13 H new ATOM 0 HZ2 LYS A 89 11.455 5.918 2.927 1.00 3.13 H new ATOM 0 HZ3 LYS A 89 12.883 6.317 2.099 1.00 3.13 H new ATOM 1406 N SER A 90 14.806 0.239 -1.353 1.00 42.23 N ATOM 1407 CA SER A 90 15.725 -0.820 -0.915 1.00 32.15 C ATOM 1408 C SER A 90 16.442 -0.432 0.380 1.00 21.21 C ATOM 1409 O SER A 90 16.667 0.748 0.647 1.00 64.13 O ATOM 1410 CB SER A 90 16.764 -1.138 -2.001 1.00 54.43 C ATOM 1411 OG SER A 90 17.658 -2.163 -1.580 1.00 2.20 O ATOM 0 H SER A 90 15.222 0.932 -1.975 1.00 42.23 H new ATOM 0 HA SER A 90 15.123 -1.710 -0.731 1.00 32.15 H new ATOM 0 HB2 SER A 90 16.255 -1.449 -2.914 1.00 54.43 H new ATOM 0 HB3 SER A 90 17.328 -0.237 -2.242 1.00 54.43 H new ATOM 0 HG SER A 90 17.179 -2.802 -1.013 1.00 2.20 H new ATOM 1417 N THR A 91 16.785 -1.429 1.192 1.00 30.11 N ATOM 1418 CA THR A 91 17.557 -1.194 2.421 1.00 15.03 C ATOM 1419 C THR A 91 18.970 -0.692 2.090 1.00 54.33 C ATOM 1420 O THR A 91 19.630 -0.060 2.918 1.00 51.34 O ATOM 1421 CB THR A 91 17.673 -2.479 3.277 1.00 71.43 C ATOM 1422 OG1 THR A 91 18.409 -3.485 2.560 1.00 3.52 O ATOM 1423 CG2 THR A 91 16.294 -3.022 3.646 1.00 53.52 C ATOM 0 H THR A 91 16.544 -2.406 1.027 1.00 30.11 H new ATOM 0 HA THR A 91 17.020 -0.436 2.991 1.00 15.03 H new ATOM 0 HB THR A 91 18.201 -2.224 4.195 1.00 71.43 H new ATOM 0 HG1 THR A 91 18.479 -4.293 3.110 1.00 3.52 H new ATOM 0 HG21 THR A 91 16.407 -3.924 4.247 1.00 53.52 H new ATOM 0 HG22 THR A 91 15.748 -2.271 4.218 1.00 53.52 H new ATOM 0 HG23 THR A 91 15.741 -3.258 2.737 1.00 53.52 H new ATOM 1431 N GLN A 92 19.423 -0.976 0.867 1.00 50.42 N ATOM 1432 CA GLN A 92 20.749 -0.557 0.406 1.00 21.43 C ATOM 1433 C GLN A 92 20.685 0.771 -0.371 1.00 53.53 C ATOM 1434 O GLN A 92 19.622 1.186 -0.841 1.00 1.44 O ATOM 1435 CB GLN A 92 21.376 -1.658 -0.462 1.00 25.23 C ATOM 1436 CG GLN A 92 21.573 -2.979 0.282 1.00 61.54 C ATOM 1437 CD GLN A 92 22.296 -4.042 -0.535 1.00 31.51 C ATOM 1438 OE1 GLN A 92 23.021 -4.868 0.008 1.00 13.22 O ATOM 1439 NE2 GLN A 92 22.106 -4.040 -1.839 1.00 4.30 N ATOM 0 H GLN A 92 18.887 -1.498 0.174 1.00 50.42 H new ATOM 0 HA GLN A 92 21.375 -0.394 1.283 1.00 21.43 H new ATOM 0 HB2 GLN A 92 20.742 -1.830 -1.331 1.00 25.23 H new ATOM 0 HB3 GLN A 92 22.340 -1.312 -0.834 1.00 25.23 H new ATOM 0 HG2 GLN A 92 22.137 -2.790 1.196 1.00 61.54 H new ATOM 0 HG3 GLN A 92 20.599 -3.365 0.582 1.00 61.54 H new ATOM 0 HE21 GLN A 92 21.497 -3.341 -2.265 1.00 4.30 H new ATOM 0 HE22 GLN A 92 22.568 -4.738 -2.423 1.00 4.30 H new ATOM 1448 N LYS A 93 21.838 1.425 -0.508 1.00 62.43 N ATOM 1449 CA LYS A 93 21.925 2.748 -1.144 1.00 3.32 C ATOM 1450 C LYS A 93 21.609 2.698 -2.648 1.00 61.31 C ATOM 1451 O LYS A 93 21.874 1.701 -3.320 1.00 12.21 O ATOM 1452 CB LYS A 93 23.330 3.328 -0.949 1.00 43.41 C ATOM 1453 CG LYS A 93 23.758 3.458 0.509 1.00 41.41 C ATOM 1454 CD LYS A 93 22.895 4.456 1.279 1.00 3.35 C ATOM 1455 CE LYS A 93 23.419 4.673 2.696 1.00 11.21 C ATOM 1456 NZ LYS A 93 24.794 5.250 2.703 1.00 55.25 N ATOM 0 H LYS A 93 22.734 1.060 -0.185 1.00 62.43 H new ATOM 0 HA LYS A 93 21.179 3.382 -0.665 1.00 3.32 H new ATOM 0 HB2 LYS A 93 24.047 2.695 -1.471 1.00 43.41 H new ATOM 0 HB3 LYS A 93 23.373 4.311 -1.417 1.00 43.41 H new ATOM 0 HG2 LYS A 93 23.699 2.482 0.991 1.00 41.41 H new ATOM 0 HG3 LYS A 93 24.801 3.773 0.553 1.00 41.41 H new ATOM 0 HD2 LYS A 93 22.876 5.407 0.748 1.00 3.35 H new ATOM 0 HD3 LYS A 93 21.868 4.094 1.321 1.00 3.35 H new ATOM 0 HE2 LYS A 93 22.744 5.339 3.234 1.00 11.21 H new ATOM 0 HE3 LYS A 93 23.422 3.723 3.230 1.00 11.21 H new ATOM 0 HZ1 LYS A 93 25.000 5.645 3.643 1.00 55.25 H new ATOM 0 HZ2 LYS A 93 25.485 4.504 2.482 1.00 55.25 H new ATOM 0 HZ3 LYS A 93 24.858 6.003 1.989 1.00 55.25 H new ATOM 1470 N ASP A 94 21.049 3.787 -3.168 1.00 61.44 N ATOM 1471 CA ASP A 94 20.821 3.933 -4.609 1.00 42.02 C ATOM 1472 C ASP A 94 21.954 4.755 -5.254 1.00 13.34 C ATOM 1473 O ASP A 94 22.142 5.933 -4.941 1.00 33.43 O ATOM 1474 CB ASP A 94 19.451 4.583 -4.875 1.00 51.15 C ATOM 1475 CG ASP A 94 19.261 5.896 -4.128 1.00 21.30 C ATOM 1476 OD1 ASP A 94 18.898 5.855 -2.933 1.00 3.34 O ATOM 1477 OD2 ASP A 94 19.477 6.972 -4.728 1.00 43.11 O ATOM 0 H ASP A 94 20.743 4.586 -2.613 1.00 61.44 H new ATOM 0 HA ASP A 94 20.820 2.942 -5.062 1.00 42.02 H new ATOM 0 HB2 ASP A 94 19.341 4.761 -5.945 1.00 51.15 H new ATOM 0 HB3 ASP A 94 18.663 3.888 -4.584 1.00 51.15 H new ATOM 1482 N SER A 95 22.722 4.123 -6.138 1.00 42.33 N ATOM 1483 CA SER A 95 23.837 4.796 -6.821 1.00 65.10 C ATOM 1484 C SER A 95 23.349 5.533 -8.077 1.00 65.32 C ATOM 1485 O SER A 95 23.019 4.912 -9.091 1.00 72.01 O ATOM 1486 CB SER A 95 24.931 3.781 -7.190 1.00 11.42 C ATOM 1487 OG SER A 95 24.420 2.731 -8.001 1.00 4.13 O ATOM 0 H SER A 95 22.597 3.146 -6.402 1.00 42.33 H new ATOM 0 HA SER A 95 24.257 5.532 -6.136 1.00 65.10 H new ATOM 0 HB2 SER A 95 25.737 4.290 -7.719 1.00 11.42 H new ATOM 0 HB3 SER A 95 25.361 3.362 -6.280 1.00 11.42 H new ATOM 0 HG SER A 95 23.863 3.109 -8.713 1.00 4.13 H new ATOM 1493 N LYS A 96 23.290 6.865 -8.006 1.00 2.10 N ATOM 1494 CA LYS A 96 22.752 7.669 -9.110 1.00 43.11 C ATOM 1495 C LYS A 96 23.797 8.599 -9.745 1.00 70.11 C ATOM 1496 O LYS A 96 24.956 8.659 -9.336 1.00 33.34 O ATOM 1497 CB LYS A 96 21.558 8.513 -8.633 1.00 64.21 C ATOM 1498 CG LYS A 96 20.316 7.704 -8.281 1.00 13.11 C ATOM 1499 CD LYS A 96 19.138 8.599 -7.877 1.00 61.44 C ATOM 1500 CE LYS A 96 18.547 9.384 -9.057 1.00 74.22 C ATOM 1501 NZ LYS A 96 19.479 10.412 -9.603 1.00 63.44 N ATOM 0 H LYS A 96 23.605 7.408 -7.202 1.00 2.10 H new ATOM 0 HA LYS A 96 22.435 6.957 -9.872 1.00 43.11 H new ATOM 0 HB2 LYS A 96 21.862 9.088 -7.759 1.00 64.21 H new ATOM 0 HB3 LYS A 96 21.301 9.230 -9.413 1.00 64.21 H new ATOM 0 HG2 LYS A 96 20.029 7.092 -9.136 1.00 13.11 H new ATOM 0 HG3 LYS A 96 20.549 7.021 -7.464 1.00 13.11 H new ATOM 0 HD2 LYS A 96 18.357 7.983 -7.431 1.00 61.44 H new ATOM 0 HD3 LYS A 96 19.468 9.300 -7.110 1.00 61.44 H new ATOM 0 HE2 LYS A 96 18.279 8.687 -9.851 1.00 74.22 H new ATOM 0 HE3 LYS A 96 17.626 9.871 -8.736 1.00 74.22 H new ATOM 0 HZ1 LYS A 96 18.941 11.261 -9.871 1.00 63.44 H new ATOM 0 HZ2 LYS A 96 20.183 10.662 -8.879 1.00 63.44 H new ATOM 0 HZ3 LYS A 96 19.964 10.031 -10.440 1.00 63.44 H new ATOM 1515 N ASP A 97 23.339 9.314 -10.760 1.00 60.55 N ATOM 1516 CA ASP A 97 24.130 10.308 -11.483 1.00 14.23 C ATOM 1517 C ASP A 97 24.444 11.548 -10.619 1.00 63.10 C ATOM 1518 O ASP A 97 23.655 11.933 -9.749 1.00 31.30 O ATOM 1519 CB ASP A 97 23.342 10.724 -12.731 1.00 34.51 C ATOM 1520 CG ASP A 97 21.915 11.131 -12.388 1.00 10.55 C ATOM 1521 OD1 ASP A 97 21.105 10.240 -12.034 1.00 0.21 O ATOM 1522 OD2 ASP A 97 21.601 12.329 -12.443 1.00 42.21 O ATOM 0 H ASP A 97 22.387 9.221 -11.115 1.00 60.55 H new ATOM 0 HA ASP A 97 25.088 9.864 -11.754 1.00 14.23 H new ATOM 0 HB2 ASP A 97 23.849 11.555 -13.221 1.00 34.51 H new ATOM 0 HB3 ASP A 97 23.324 9.898 -13.442 1.00 34.51 H new ATOM 1527 N PRO A 98 25.614 12.186 -10.834 1.00 34.22 N ATOM 1528 CA PRO A 98 25.954 13.458 -10.177 1.00 0.02 C ATOM 1529 C PRO A 98 25.359 14.684 -10.900 1.00 63.51 C ATOM 1530 O PRO A 98 25.244 15.764 -10.317 1.00 52.20 O ATOM 1531 CB PRO A 98 27.485 13.472 -10.246 1.00 54.33 C ATOM 1532 CG PRO A 98 27.811 12.728 -11.502 1.00 53.30 C ATOM 1533 CD PRO A 98 26.715 11.700 -11.694 1.00 60.54 C ATOM 0 HA PRO A 98 25.552 13.522 -9.166 1.00 0.02 H new ATOM 0 HB2 PRO A 98 27.871 14.491 -10.277 1.00 54.33 H new ATOM 0 HB3 PRO A 98 27.926 12.990 -9.373 1.00 54.33 H new ATOM 0 HG2 PRO A 98 27.858 13.407 -12.353 1.00 53.30 H new ATOM 0 HG3 PRO A 98 28.785 12.246 -11.425 1.00 53.30 H new ATOM 0 HD2 PRO A 98 26.407 11.635 -12.738 1.00 60.54 H new ATOM 0 HD3 PRO A 98 27.045 10.705 -11.396 1.00 60.54 H new ATOM 1541 N ASP A 99 24.977 14.512 -12.168 1.00 53.34 N ATOM 1542 CA ASP A 99 24.411 15.607 -12.963 1.00 2.05 C ATOM 1543 C ASP A 99 23.087 15.192 -13.619 1.00 1.15 C ATOM 1544 O ASP A 99 23.080 14.602 -14.702 1.00 50.54 O ATOM 1545 CB ASP A 99 25.393 16.049 -14.057 1.00 10.41 C ATOM 1546 CG ASP A 99 26.741 16.474 -13.507 1.00 1.21 C ATOM 1547 OD1 ASP A 99 26.883 17.650 -13.111 1.00 62.15 O ATOM 1548 OD2 ASP A 99 27.664 15.632 -13.480 1.00 51.52 O ATOM 0 H ASP A 99 25.049 13.625 -12.667 1.00 53.34 H new ATOM 0 HA ASP A 99 24.225 16.437 -12.282 1.00 2.05 H new ATOM 0 HB2 ASP A 99 25.536 15.230 -14.762 1.00 10.41 H new ATOM 0 HB3 ASP A 99 24.957 16.877 -14.616 1.00 10.41 H new ATOM 1553 N THR A 100 21.966 15.494 -12.968 1.00 62.32 N ATOM 1554 CA THR A 100 20.651 15.220 -13.556 1.00 53.11 C ATOM 1555 C THR A 100 20.326 16.273 -14.626 1.00 33.11 C ATOM 1556 O THR A 100 19.454 17.124 -14.448 1.00 62.33 O ATOM 1557 CB THR A 100 19.528 15.194 -12.487 1.00 51.14 C ATOM 1558 OG1 THR A 100 19.931 14.380 -11.372 1.00 24.24 O ATOM 1559 CG2 THR A 100 18.225 14.641 -13.063 1.00 64.12 C ATOM 0 H THR A 100 21.938 15.924 -12.043 1.00 62.32 H new ATOM 0 HA THR A 100 20.696 14.231 -14.011 1.00 53.11 H new ATOM 0 HB THR A 100 19.357 16.219 -12.159 1.00 51.14 H new ATOM 0 HG1 THR A 100 20.522 13.664 -11.686 1.00 24.24 H new ATOM 0 HG21 THR A 100 17.458 14.636 -12.289 1.00 64.12 H new ATOM 0 HG22 THR A 100 17.899 15.268 -13.893 1.00 64.12 H new ATOM 0 HG23 THR A 100 18.387 13.624 -13.419 1.00 64.12 H new ATOM 1567 N ASP A 101 21.076 16.226 -15.723 1.00 64.34 N ATOM 1568 CA ASP A 101 20.959 17.215 -16.799 1.00 43.14 C ATOM 1569 C ASP A 101 20.738 16.531 -18.161 1.00 20.54 C ATOM 1570 O ASP A 101 20.468 17.186 -19.168 1.00 15.32 O ATOM 1571 CB ASP A 101 22.232 18.071 -16.821 1.00 64.44 C ATOM 1572 CG ASP A 101 22.141 19.256 -17.763 1.00 74.03 C ATOM 1573 OD1 ASP A 101 21.363 20.189 -17.472 1.00 33.51 O ATOM 1574 OD2 ASP A 101 22.874 19.283 -18.773 1.00 71.41 O ATOM 0 H ASP A 101 21.779 15.507 -15.894 1.00 64.34 H new ATOM 0 HA ASP A 101 20.092 17.849 -16.613 1.00 43.14 H new ATOM 0 HB2 ASP A 101 22.437 18.432 -15.813 1.00 64.44 H new ATOM 0 HB3 ASP A 101 23.076 17.447 -17.114 1.00 64.44 H new ATOM 1579 N LEU A 102 20.842 15.205 -18.171 1.00 44.31 N ATOM 1580 CA LEU A 102 20.647 14.413 -19.389 1.00 3.23 C ATOM 1581 C LEU A 102 19.964 13.072 -19.076 1.00 22.32 C ATOM 1582 O LEU A 102 20.064 12.552 -17.965 1.00 4.10 O ATOM 1583 CB LEU A 102 21.994 14.201 -20.119 1.00 73.43 C ATOM 1584 CG LEU A 102 23.197 13.759 -19.251 1.00 21.03 C ATOM 1585 CD1 LEU A 102 23.048 12.316 -18.765 1.00 50.30 C ATOM 1586 CD2 LEU A 102 24.506 13.940 -20.021 1.00 70.13 C ATOM 0 H LEU A 102 21.062 14.650 -17.344 1.00 44.31 H new ATOM 0 HA LEU A 102 19.985 14.968 -20.054 1.00 3.23 H new ATOM 0 HB2 LEU A 102 21.844 13.453 -20.898 1.00 73.43 H new ATOM 0 HB3 LEU A 102 22.260 15.133 -20.619 1.00 73.43 H new ATOM 0 HG LEU A 102 23.219 14.397 -18.368 1.00 21.03 H new ATOM 0 HD11 LEU A 102 23.913 12.045 -18.159 1.00 50.30 H new ATOM 0 HD12 LEU A 102 22.142 12.226 -18.165 1.00 50.30 H new ATOM 0 HD13 LEU A 102 22.982 11.648 -19.624 1.00 50.30 H new ATOM 0 HD21 LEU A 102 25.342 13.625 -19.397 1.00 70.13 H new ATOM 0 HD22 LEU A 102 24.482 13.335 -20.927 1.00 70.13 H new ATOM 0 HD23 LEU A 102 24.629 14.990 -20.289 1.00 70.13 H new ATOM 1598 N ILE A 103 19.249 12.527 -20.056 1.00 30.50 N ATOM 1599 CA ILE A 103 18.575 11.231 -19.899 1.00 52.33 C ATOM 1600 C ILE A 103 19.533 10.066 -20.204 1.00 42.43 C ATOM 1601 O ILE A 103 19.622 9.098 -19.444 1.00 12.21 O ATOM 1602 CB ILE A 103 17.327 11.136 -20.816 1.00 12.21 C ATOM 1603 CG1 ILE A 103 16.340 12.274 -20.492 1.00 21.20 C ATOM 1604 CG2 ILE A 103 16.648 9.770 -20.672 1.00 43.44 C ATOM 1605 CD1 ILE A 103 15.122 12.308 -21.396 1.00 10.21 C ATOM 0 H ILE A 103 19.118 12.959 -20.971 1.00 30.50 H new ATOM 0 HA ILE A 103 18.254 11.157 -18.860 1.00 52.33 H new ATOM 0 HB ILE A 103 17.650 11.242 -21.852 1.00 12.21 H new ATOM 0 HG12 ILE A 103 16.010 12.172 -19.458 1.00 21.20 H new ATOM 0 HG13 ILE A 103 16.863 13.227 -20.567 1.00 21.20 H new ATOM 0 HG21 ILE A 103 15.776 9.727 -21.324 1.00 43.44 H new ATOM 0 HG22 ILE A 103 17.349 8.984 -20.951 1.00 43.44 H new ATOM 0 HG23 ILE A 103 16.335 9.626 -19.638 1.00 43.44 H new ATOM 0 HD11 ILE A 103 14.476 13.136 -21.105 1.00 10.21 H new ATOM 0 HD12 ILE A 103 15.440 12.442 -22.430 1.00 10.21 H new ATOM 0 HD13 ILE A 103 14.574 11.370 -21.304 1.00 10.21 H new ATOM 1617 N VAL A 104 20.251 10.169 -21.321 1.00 71.10 N ATOM 1618 CA VAL A 104 21.222 9.143 -21.718 1.00 41.23 C ATOM 1619 C VAL A 104 22.670 9.595 -21.433 1.00 74.40 C ATOM 1620 O VAL A 104 23.106 10.652 -21.896 1.00 65.13 O ATOM 1621 CB VAL A 104 21.071 8.774 -23.221 1.00 44.30 C ATOM 1622 CG1 VAL A 104 19.715 8.119 -23.479 1.00 1.21 C ATOM 1623 CG2 VAL A 104 21.252 10.003 -24.116 1.00 2.04 C ATOM 0 H VAL A 104 20.181 10.953 -21.970 1.00 71.10 H new ATOM 0 HA VAL A 104 21.012 8.258 -21.118 1.00 41.23 H new ATOM 0 HB VAL A 104 21.856 8.060 -23.470 1.00 44.30 H new ATOM 0 HG11 VAL A 104 19.627 7.868 -24.536 1.00 1.21 H new ATOM 0 HG12 VAL A 104 19.630 7.211 -22.882 1.00 1.21 H new ATOM 0 HG13 VAL A 104 18.919 8.810 -23.203 1.00 1.21 H new ATOM 0 HG21 VAL A 104 21.141 9.712 -25.161 1.00 2.04 H new ATOM 0 HG22 VAL A 104 20.499 10.750 -23.865 1.00 2.04 H new ATOM 0 HG23 VAL A 104 22.246 10.423 -23.960 1.00 2.04 H new ATOM 1633 N PRO A 105 23.434 8.810 -20.645 1.00 35.15 N ATOM 1634 CA PRO A 105 24.839 9.127 -20.324 1.00 15.02 C ATOM 1635 C PRO A 105 25.755 9.074 -21.562 1.00 73.40 C ATOM 1636 O PRO A 105 26.061 7.995 -22.075 1.00 1.12 O ATOM 1637 CB PRO A 105 25.237 8.042 -19.303 1.00 55.43 C ATOM 1638 CG PRO A 105 23.947 7.452 -18.832 1.00 31.53 C ATOM 1639 CD PRO A 105 22.995 7.567 -19.990 1.00 30.11 C ATOM 0 HA PRO A 105 24.945 10.142 -19.942 1.00 15.02 H new ATOM 0 HB2 PRO A 105 25.872 7.284 -19.762 1.00 55.43 H new ATOM 0 HB3 PRO A 105 25.800 8.470 -18.474 1.00 55.43 H new ATOM 0 HG2 PRO A 105 24.078 6.411 -18.536 1.00 31.53 H new ATOM 0 HG3 PRO A 105 23.568 7.986 -17.960 1.00 31.53 H new ATOM 0 HD2 PRO A 105 23.065 6.710 -20.659 1.00 30.11 H new ATOM 0 HD3 PRO A 105 21.959 7.628 -19.658 1.00 30.11 H new ATOM 1647 N ASN A 106 26.184 10.244 -22.039 1.00 15.44 N ATOM 1648 CA ASN A 106 27.034 10.336 -23.235 1.00 50.12 C ATOM 1649 C ASN A 106 28.378 11.030 -22.935 1.00 71.14 C ATOM 1650 O ASN A 106 28.615 11.506 -21.822 1.00 44.13 O ATOM 1651 CB ASN A 106 26.279 11.064 -24.357 1.00 54.14 C ATOM 1652 CG ASN A 106 25.826 12.458 -23.958 1.00 71.43 C ATOM 1653 OD1 ASN A 106 26.519 13.438 -24.188 1.00 71.40 O ATOM 1654 ND2 ASN A 106 24.653 12.561 -23.362 1.00 14.03 N ATOM 0 H ASN A 106 25.958 11.145 -21.617 1.00 15.44 H new ATOM 0 HA ASN A 106 27.267 9.323 -23.561 1.00 50.12 H new ATOM 0 HB2 ASN A 106 26.922 11.134 -25.235 1.00 54.14 H new ATOM 0 HB3 ASN A 106 25.409 10.474 -24.645 1.00 54.14 H new ATOM 0 HD21 ASN A 106 24.303 13.477 -23.080 1.00 14.03 H new ATOM 0 HD22 ASN A 106 24.097 11.725 -23.183 1.00 14.03 H new ATOM 1661 N LEU A 107 29.256 11.087 -23.938 1.00 75.30 N ATOM 1662 CA LEU A 107 30.620 11.612 -23.759 1.00 30.30 C ATOM 1663 C LEU A 107 30.705 13.127 -24.020 1.00 3.43 C ATOM 1664 O LEU A 107 31.731 13.752 -23.737 1.00 12.42 O ATOM 1665 CB LEU A 107 31.611 10.872 -24.679 1.00 4.14 C ATOM 1666 CG LEU A 107 31.823 9.372 -24.380 1.00 4.31 C ATOM 1667 CD1 LEU A 107 32.198 9.158 -22.915 1.00 71.04 C ATOM 1668 CD2 LEU A 107 30.588 8.550 -24.755 1.00 23.41 C ATOM 0 H LEU A 107 29.050 10.776 -24.887 1.00 75.30 H new ATOM 0 HA LEU A 107 30.888 11.439 -22.717 1.00 30.30 H new ATOM 0 HB2 LEU A 107 31.264 10.971 -25.708 1.00 4.14 H new ATOM 0 HB3 LEU A 107 32.577 11.374 -24.618 1.00 4.14 H new ATOM 0 HG LEU A 107 32.651 9.023 -24.997 1.00 4.31 H new ATOM 0 HD11 LEU A 107 32.342 8.094 -22.728 1.00 71.04 H new ATOM 0 HD12 LEU A 107 33.121 9.694 -22.694 1.00 71.04 H new ATOM 0 HD13 LEU A 107 31.399 9.533 -22.276 1.00 71.04 H new ATOM 0 HD21 LEU A 107 30.769 7.499 -24.532 1.00 23.41 H new ATOM 0 HD22 LEU A 107 29.730 8.900 -24.181 1.00 23.41 H new ATOM 0 HD23 LEU A 107 30.384 8.665 -25.819 1.00 23.41 H new ATOM 1680 N GLU A 108 29.641 13.716 -24.564 1.00 3.44 N ATOM 1681 CA GLU A 108 29.630 15.155 -24.862 1.00 32.44 C ATOM 1682 C GLU A 108 29.562 16.007 -23.585 1.00 74.21 C ATOM 1683 O GLU A 108 28.495 16.167 -22.985 1.00 51.21 O ATOM 1684 CB GLU A 108 28.449 15.514 -25.775 1.00 34.31 C ATOM 1685 CG GLU A 108 28.528 14.922 -27.176 1.00 62.13 C ATOM 1686 CD GLU A 108 27.429 15.448 -28.085 1.00 22.23 C ATOM 1687 OE1 GLU A 108 27.541 16.604 -28.553 1.00 11.42 O ATOM 1688 OE2 GLU A 108 26.439 14.724 -28.320 1.00 32.13 O ATOM 0 H GLU A 108 28.780 13.227 -24.807 1.00 3.44 H new ATOM 0 HA GLU A 108 30.567 15.377 -25.373 1.00 32.44 H new ATOM 0 HB2 GLU A 108 27.526 15.176 -25.303 1.00 34.31 H new ATOM 0 HB3 GLU A 108 28.386 16.599 -25.856 1.00 34.31 H new ATOM 0 HG2 GLU A 108 29.500 15.154 -27.612 1.00 62.13 H new ATOM 0 HG3 GLU A 108 28.457 13.836 -27.114 1.00 62.13 H new ATOM 1695 N HIS A 109 30.700 16.563 -23.175 1.00 13.53 N ATOM 1696 CA HIS A 109 30.752 17.443 -22.006 1.00 53.41 C ATOM 1697 C HIS A 109 30.305 18.864 -22.384 1.00 2.32 C ATOM 1698 O HIS A 109 31.114 19.790 -22.452 1.00 0.12 O ATOM 1699 CB HIS A 109 32.165 17.454 -21.413 1.00 13.42 C ATOM 1700 CG HIS A 109 32.670 16.083 -21.088 1.00 52.33 C ATOM 1701 ND1 HIS A 109 33.942 15.649 -21.396 1.00 44.10 N ATOM 1702 CD2 HIS A 109 32.059 15.041 -20.480 1.00 22.45 C ATOM 1703 CE1 HIS A 109 34.086 14.403 -20.995 1.00 15.14 C ATOM 1704 NE2 HIS A 109 32.960 14.011 -20.436 1.00 52.12 N ATOM 0 H HIS A 109 31.600 16.421 -23.634 1.00 13.53 H new ATOM 0 HA HIS A 109 30.066 17.062 -21.249 1.00 53.41 H new ATOM 0 HB2 HIS A 109 32.846 17.929 -22.119 1.00 13.42 H new ATOM 0 HB3 HIS A 109 32.169 18.061 -20.508 1.00 13.42 H new ATOM 0 HD2 HIS A 109 31.048 15.024 -20.100 1.00 22.45 H new ATOM 0 HE1 HIS A 109 34.977 13.804 -21.106 1.00 15.14 H new ATOM 0 HE2 HIS A 109 32.787 13.089 -20.035 1.00 52.12 H new ATOM 1713 N HIS A 110 29.006 19.014 -22.648 1.00 72.23 N ATOM 1714 CA HIS A 110 28.449 20.284 -23.127 1.00 54.01 C ATOM 1715 C HIS A 110 28.729 21.443 -22.158 1.00 34.43 C ATOM 1716 O HIS A 110 28.296 21.420 -21.003 1.00 64.51 O ATOM 1717 CB HIS A 110 26.937 20.154 -23.377 1.00 75.23 C ATOM 1718 CG HIS A 110 26.587 19.186 -24.470 1.00 34.14 C ATOM 1719 ND1 HIS A 110 25.545 18.288 -24.378 1.00 65.51 N ATOM 1720 CD2 HIS A 110 27.135 18.989 -25.693 1.00 71.40 C ATOM 1721 CE1 HIS A 110 25.470 17.583 -25.489 1.00 41.30 C ATOM 1722 NE2 HIS A 110 26.423 17.989 -26.301 1.00 13.43 N ATOM 0 H HIS A 110 28.317 18.270 -22.538 1.00 72.23 H new ATOM 0 HA HIS A 110 28.948 20.516 -24.068 1.00 54.01 H new ATOM 0 HB2 HIS A 110 26.451 19.837 -22.454 1.00 75.23 H new ATOM 0 HB3 HIS A 110 26.534 21.135 -23.629 1.00 75.23 H new ATOM 0 HD2 HIS A 110 27.977 19.521 -26.111 1.00 71.40 H new ATOM 0 HE1 HIS A 110 24.750 16.805 -25.697 1.00 41.30 H new ATOM 0 HE2 HIS A 110 26.603 17.618 -27.234 1.00 13.43 H new ATOM 1731 N HIS A 111 29.477 22.437 -22.646 1.00 4.42 N ATOM 1732 CA HIS A 111 29.807 23.653 -21.882 1.00 43.25 C ATOM 1733 C HIS A 111 30.846 23.383 -20.772 1.00 53.22 C ATOM 1734 O HIS A 111 31.214 24.288 -20.020 1.00 2.40 O ATOM 1735 CB HIS A 111 28.529 24.282 -21.297 1.00 23.02 C ATOM 1736 CG HIS A 111 28.763 25.555 -20.541 1.00 12.55 C ATOM 1737 ND1 HIS A 111 28.709 25.636 -19.165 1.00 43.34 N ATOM 1738 CD2 HIS A 111 29.065 26.800 -20.975 1.00 44.35 C ATOM 1739 CE1 HIS A 111 28.970 26.872 -18.789 1.00 63.23 C ATOM 1740 NE2 HIS A 111 29.188 27.594 -19.865 1.00 34.43 N ATOM 0 H HIS A 111 29.874 22.425 -23.585 1.00 4.42 H new ATOM 0 HA HIS A 111 30.262 24.360 -22.575 1.00 43.25 H new ATOM 0 HB2 HIS A 111 27.829 24.478 -22.109 1.00 23.02 H new ATOM 0 HB3 HIS A 111 28.053 23.560 -20.633 1.00 23.02 H new ATOM 0 HD2 HIS A 111 29.186 27.110 -22.002 1.00 44.35 H new ATOM 0 HE1 HIS A 111 29.000 27.230 -17.771 1.00 63.23 H new ATOM 0 HE2 HIS A 111 29.413 28.589 -19.873 1.00 34.43 H new ATOM 1749 N HIS A 112 31.340 22.152 -20.688 1.00 62.53 N ATOM 1750 CA HIS A 112 32.315 21.780 -19.655 1.00 61.40 C ATOM 1751 C HIS A 112 33.649 21.335 -20.281 1.00 60.22 C ATOM 1752 O HIS A 112 33.758 20.231 -20.813 1.00 61.43 O ATOM 1753 CB HIS A 112 31.739 20.667 -18.765 1.00 30.33 C ATOM 1754 CG HIS A 112 32.587 20.349 -17.574 1.00 15.13 C ATOM 1755 ND1 HIS A 112 32.381 20.905 -16.331 1.00 61.22 N ATOM 1756 CD2 HIS A 112 33.654 19.526 -17.440 1.00 21.24 C ATOM 1757 CE1 HIS A 112 33.280 20.440 -15.488 1.00 74.53 C ATOM 1758 NE2 HIS A 112 34.067 19.603 -16.133 1.00 33.34 N ATOM 0 H HIS A 112 31.085 21.392 -21.319 1.00 62.53 H new ATOM 0 HA HIS A 112 32.514 22.658 -19.041 1.00 61.40 H new ATOM 0 HB2 HIS A 112 30.747 20.963 -18.425 1.00 30.33 H new ATOM 0 HB3 HIS A 112 31.615 19.764 -19.363 1.00 30.33 H new ATOM 0 HD2 HIS A 112 34.098 18.921 -18.217 1.00 21.24 H new ATOM 0 HE1 HIS A 112 33.359 20.701 -14.443 1.00 74.53 H new ATOM 0 HE2 HIS A 112 34.854 19.096 -15.728 1.00 33.34 H new ATOM 1767 N HIS A 113 34.660 22.199 -20.208 1.00 22.33 N ATOM 1768 CA HIS A 113 35.976 21.902 -20.789 1.00 74.02 C ATOM 1769 C HIS A 113 36.889 21.177 -19.788 1.00 71.35 C ATOM 1770 O HIS A 113 37.379 20.076 -20.062 1.00 21.41 O ATOM 1771 CB HIS A 113 36.646 23.193 -21.270 1.00 71.13 C ATOM 1772 CG HIS A 113 35.950 23.837 -22.428 1.00 22.23 C ATOM 1773 ND1 HIS A 113 36.214 23.512 -23.739 1.00 23.33 N ATOM 1774 CD2 HIS A 113 34.996 24.797 -22.472 1.00 52.01 C ATOM 1775 CE1 HIS A 113 35.459 24.238 -24.535 1.00 24.21 C ATOM 1776 NE2 HIS A 113 34.711 25.027 -23.794 1.00 62.21 N ATOM 0 H HIS A 113 34.597 23.110 -19.754 1.00 22.33 H new ATOM 0 HA HIS A 113 35.819 21.238 -21.639 1.00 74.02 H new ATOM 0 HB2 HIS A 113 36.686 23.901 -20.442 1.00 71.13 H new ATOM 0 HB3 HIS A 113 37.676 22.974 -21.553 1.00 71.13 H new ATOM 0 HD2 HIS A 113 34.544 25.290 -21.624 1.00 52.01 H new ATOM 0 HE1 HIS A 113 35.454 24.194 -25.614 1.00 24.21 H new ATOM 0 HE2 HIS A 113 34.030 25.700 -24.145 1.00 62.21 H new ATOM 1785 N HIS A 114 37.111 21.794 -18.633 1.00 41.44 N ATOM 1786 CA HIS A 114 37.988 21.222 -17.600 1.00 13.11 C ATOM 1787 C HIS A 114 37.276 21.156 -16.233 1.00 33.04 C ATOM 1788 O HIS A 114 37.254 22.181 -15.511 1.00 38.13 O ATOM 1789 CB HIS A 114 39.281 22.047 -17.488 1.00 5.33 C ATOM 1790 CG HIS A 114 40.272 21.490 -16.508 1.00 42.14 C ATOM 1791 ND1 HIS A 114 40.348 21.903 -15.195 1.00 72.32 N ATOM 1792 CD2 HIS A 114 41.232 20.543 -16.652 1.00 21.33 C ATOM 1793 CE1 HIS A 114 41.306 21.243 -14.579 1.00 42.40 C ATOM 1794 NE2 HIS A 114 41.856 20.413 -15.437 1.00 13.31 N ATOM 1795 OXT HIS A 114 36.740 20.084 -15.887 1.00 38.13 O ATOM 0 H HIS A 114 36.698 22.692 -18.382 1.00 41.44 H new ATOM 0 HA HIS A 114 38.238 20.203 -17.896 1.00 13.11 H new ATOM 0 HB2 HIS A 114 39.749 22.106 -18.470 1.00 5.33 H new ATOM 0 HB3 HIS A 114 39.027 23.065 -17.194 1.00 5.33 H new ATOM 0 HD2 HIS A 114 41.462 19.994 -17.553 1.00 21.33 H new ATOM 0 HE1 HIS A 114 41.592 21.363 -13.544 1.00 42.40 H new ATOM 0 HE2 HIS A 114 42.624 19.774 -15.232 1.00 13.31 H new TER 1804 HIS A 114