USER MOD reduce.3.24.130724 H: found=0, std=0, add=1149, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1150 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: B 83 TYR OH : rot -23:sc= 0.068 USER MOD Set 1.2: B 118 THR OG1 : rot -112:sc= 0.0108 USER MOD Set 2.1: B 99 LYS NZ :NH3+ -163:sc= 1.11 (180deg=-0.569) USER MOD Set 2.2: B 100 ASN : amide:sc= 1.04 K(o=2.1,f=-9.1!) USER MOD Set 3.1: B 95 ASN : amide:sc= 0.421 K(o=0.88,f=-0.75) USER MOD Set 3.2: B 98 GLN : amide:sc= 0.454 K(o=0.88,f=-0.19) USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0641) USER MOD Single : A 1 MET N :NH3+ 153:sc= 1.22 (180deg=1.03) USER MOD Single : A 2 GLN : amide:sc= -0.0338 X(o=-0.034,f=-0.034) USER MOD Single : A 6 LYS NZ :NH3+ -157:sc= 0.51 (180deg=0.106) USER MOD Single : A 7 THR OG1 : rot -160:sc= -0.664 USER MOD Single : A 9 THR OG1 : rot -45:sc= 0.391 USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.000924) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0844 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 25 ASN : amide:sc= 1.1 K(o=1.1,f=-1.3!) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 1.82 (180deg=1.73) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 2.38 (180deg=2.14) USER MOD Single : A 31 GLN : amide:sc= -0.203 K(o=-0.2,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= 1.18 (180deg=0.441) USER MOD Single : A 40 GLN : amide:sc= -1.49! C(o=-1.5!,f=-9.8!) USER MOD Single : A 41 GLN : amide:sc= -0.628! K(o=-0.63!,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 57 SER OG : rot 180:sc=0.000836 USER MOD Single : A 59 TYR OH : rot -109:sc= -0.129 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0798 F(o=-1.2,f=-0.08) USER MOD Single : A 62 GLN : amide:sc= -0.47 K(o=-0.47,f=-1.4) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -84:sc= 1.33 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 56 LYS NZ :NH3+ -179:sc= 0.699 (180deg=0.675) USER MOD Single : B 59 TYR OH : rot 180:sc= -0.403 USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 SER OG : rot 180:sc= -0.0441 USER MOD Single : B 73 ASN :FLIP amide:sc= -0.159 F(o=-1.1!,f=-0.16) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0283) USER MOD Single : B 84 ASN : amide:sc= 0.773 K(o=0.77,f=-1.3) USER MOD Single : B 85 THR OG1 : rot -84:sc= 1.23 USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD Single : B 92 THR OG1 : rot -46:sc= 1.19 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 103 ASN : amide:sc= 0.357 K(o=0.36,f=-5.2!) USER MOD Single : B 105 MET CE :methyl 173:sc= -0.0599 (180deg=-0.114) USER MOD Single : B 109 GLN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : B 112 LYS NZ :NH3+ -164:sc= 0.895 (180deg=0.25) USER MOD Single : B 117 ASN : amide:sc= -0.0274 X(o=-0.027,f=0) USER MOD Single : B 119 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.19) USER MOD Single : B 121 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.015) USER MOD Single : B 122 MET CE :methyl -177:sc= 0 (180deg=-0.00324) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.520 3.766 -7.280 1.00 1.19 N ATOM 2 CA MET A 1 -20.320 4.429 -7.836 1.00 1.06 C ATOM 3 C MET A 1 -19.229 3.410 -8.130 1.00 1.03 C ATOM 4 O MET A 1 -19.279 2.276 -7.654 1.00 1.13 O ATOM 5 CB MET A 1 -19.781 5.493 -6.873 1.00 1.01 C ATOM 6 CG MET A 1 -19.181 4.922 -5.596 1.00 1.07 C ATOM 7 SD MET A 1 -18.072 6.081 -4.766 1.00 1.25 S ATOM 8 CE MET A 1 -19.186 7.439 -4.418 1.00 1.32 C ATOM 0 H1 MET A 1 -22.042 4.438 -6.682 1.00 1.19 H new ATOM 0 H2 MET A 1 -22.132 3.447 -8.058 1.00 1.19 H new ATOM 0 H3 MET A 1 -21.231 2.947 -6.709 1.00 1.19 H new ATOM 0 HA MET A 1 -20.615 4.915 -8.766 1.00 1.06 H new ATOM 0 HB2 MET A 1 -19.022 6.083 -7.387 1.00 1.01 H new ATOM 0 HB3 MET A 1 -20.590 6.174 -6.610 1.00 1.01 H new ATOM 0 HG2 MET A 1 -19.985 4.644 -4.915 1.00 1.07 H new ATOM 0 HG3 MET A 1 -18.634 4.009 -5.833 1.00 1.07 H new ATOM 0 HE1 MET A 1 -18.672 8.186 -3.813 1.00 1.32 H new ATOM 0 HE2 MET A 1 -19.511 7.892 -5.355 1.00 1.32 H new ATOM 0 HE3 MET A 1 -20.054 7.067 -3.874 1.00 1.32 H new ATOM 20 N GLN A 2 -18.246 3.819 -8.914 1.00 0.93 N ATOM 21 CA GLN A 2 -17.138 2.950 -9.265 1.00 0.89 C ATOM 22 C GLN A 2 -15.834 3.559 -8.766 1.00 0.85 C ATOM 23 O GLN A 2 -15.526 4.709 -9.077 1.00 0.93 O ATOM 24 CB GLN A 2 -17.090 2.749 -10.780 1.00 0.94 C ATOM 25 CG GLN A 2 -16.231 1.579 -11.213 1.00 1.18 C ATOM 26 CD GLN A 2 -16.398 1.258 -12.683 1.00 1.18 C ATOM 27 OE1 GLN A 2 -15.692 1.800 -13.536 1.00 1.35 O ATOM 28 NE2 GLN A 2 -17.327 0.371 -12.991 1.00 1.61 N ATOM 0 H GLN A 2 -18.194 4.753 -9.321 1.00 0.93 H new ATOM 0 HA GLN A 2 -17.277 1.978 -8.792 1.00 0.89 H new ATOM 0 HB2 GLN A 2 -18.104 2.600 -11.150 1.00 0.94 H new ATOM 0 HB3 GLN A 2 -16.711 3.658 -11.246 1.00 0.94 H new ATOM 0 HG2 GLN A 2 -15.184 1.804 -11.009 1.00 1.18 H new ATOM 0 HG3 GLN A 2 -16.490 0.702 -10.620 1.00 1.18 H new ATOM 0 HE21 GLN A 2 -17.890 -0.054 -12.255 1.00 1.61 H new ATOM 0 HE22 GLN A 2 -17.481 0.111 -13.965 1.00 1.61 H new ATOM 37 N ILE A 3 -15.086 2.804 -7.973 1.00 0.76 N ATOM 38 CA ILE A 3 -13.823 3.295 -7.439 1.00 0.72 C ATOM 39 C ILE A 3 -12.662 2.421 -7.899 1.00 0.68 C ATOM 40 O ILE A 3 -12.858 1.271 -8.310 1.00 0.66 O ATOM 41 CB ILE A 3 -13.825 3.378 -5.887 1.00 0.69 C ATOM 42 CG1 ILE A 3 -13.678 1.987 -5.246 1.00 0.60 C ATOM 43 CG2 ILE A 3 -15.085 4.074 -5.386 1.00 0.85 C ATOM 44 CD1 ILE A 3 -14.961 1.185 -5.173 1.00 0.78 C ATOM 0 H ILE A 3 -15.329 1.856 -7.687 1.00 0.76 H new ATOM 0 HA ILE A 3 -13.697 4.305 -7.828 1.00 0.72 H new ATOM 0 HB ILE A 3 -12.961 3.971 -5.587 1.00 0.69 H new ATOM 0 HG12 ILE A 3 -12.941 1.417 -5.812 1.00 0.60 H new ATOM 0 HG13 ILE A 3 -13.282 2.107 -4.237 1.00 0.60 H new ATOM 0 HG21 ILE A 3 -15.066 4.121 -4.297 1.00 0.85 H new ATOM 0 HG22 ILE A 3 -15.129 5.084 -5.792 1.00 0.85 H new ATOM 0 HG23 ILE A 3 -15.963 3.515 -5.710 1.00 0.85 H new ATOM 0 HD11 ILE A 3 -14.761 0.220 -4.707 1.00 0.78 H new ATOM 0 HD12 ILE A 3 -15.697 1.729 -4.580 1.00 0.78 H new ATOM 0 HD13 ILE A 3 -15.350 1.028 -6.179 1.00 0.78 H new ATOM 56 N PHE A 4 -11.460 2.975 -7.836 1.00 0.68 N ATOM 57 CA PHE A 4 -10.263 2.259 -8.239 1.00 0.66 C ATOM 58 C PHE A 4 -9.420 1.939 -7.019 1.00 0.61 C ATOM 59 O PHE A 4 -8.976 2.842 -6.306 1.00 0.70 O ATOM 60 CB PHE A 4 -9.447 3.086 -9.234 1.00 0.73 C ATOM 61 CG PHE A 4 -10.222 3.513 -10.447 1.00 0.82 C ATOM 62 CD1 PHE A 4 -10.643 2.581 -11.383 1.00 1.03 C ATOM 63 CD2 PHE A 4 -10.527 4.848 -10.653 1.00 0.88 C ATOM 64 CE1 PHE A 4 -11.353 2.974 -12.502 1.00 1.12 C ATOM 65 CE2 PHE A 4 -11.236 5.245 -11.770 1.00 0.96 C ATOM 66 CZ PHE A 4 -11.649 4.307 -12.695 1.00 1.00 C ATOM 0 H PHE A 4 -11.290 3.925 -7.507 1.00 0.68 H new ATOM 0 HA PHE A 4 -10.562 1.331 -8.726 1.00 0.66 H new ATOM 0 HB2 PHE A 4 -9.065 3.973 -8.728 1.00 0.73 H new ATOM 0 HB3 PHE A 4 -8.583 2.504 -9.553 1.00 0.73 H new ATOM 0 HD1 PHE A 4 -10.414 1.536 -11.236 1.00 1.03 H new ATOM 0 HD2 PHE A 4 -10.207 5.586 -9.933 1.00 0.88 H new ATOM 0 HE1 PHE A 4 -11.675 2.238 -13.224 1.00 1.12 H new ATOM 0 HE2 PHE A 4 -11.467 6.289 -11.920 1.00 0.96 H new ATOM 0 HZ PHE A 4 -12.203 4.617 -13.569 1.00 1.00 H new ATOM 76 N VAL A 5 -9.204 0.662 -6.764 1.00 0.53 N ATOM 77 CA VAL A 5 -8.415 0.252 -5.619 1.00 0.51 C ATOM 78 C VAL A 5 -7.022 -0.224 -6.049 1.00 0.51 C ATOM 79 O VAL A 5 -6.880 -1.146 -6.855 1.00 0.53 O ATOM 80 CB VAL A 5 -9.145 -0.836 -4.790 1.00 0.51 C ATOM 81 CG1 VAL A 5 -9.465 -2.062 -5.634 1.00 0.56 C ATOM 82 CG2 VAL A 5 -8.331 -1.219 -3.568 1.00 0.54 C ATOM 0 H VAL A 5 -9.562 -0.106 -7.332 1.00 0.53 H new ATOM 0 HA VAL A 5 -8.287 1.125 -4.978 1.00 0.51 H new ATOM 0 HB VAL A 5 -10.092 -0.413 -4.453 1.00 0.51 H new ATOM 0 HG11 VAL A 5 -9.976 -2.803 -5.020 1.00 0.56 H new ATOM 0 HG12 VAL A 5 -10.108 -1.774 -6.465 1.00 0.56 H new ATOM 0 HG13 VAL A 5 -8.540 -2.488 -6.022 1.00 0.56 H new ATOM 0 HG21 VAL A 5 -8.863 -1.984 -3.002 1.00 0.54 H new ATOM 0 HG22 VAL A 5 -7.363 -1.608 -3.883 1.00 0.54 H new ATOM 0 HG23 VAL A 5 -8.182 -0.341 -2.940 1.00 0.54 H new ATOM 92 N LYS A 6 -5.998 0.442 -5.525 1.00 0.54 N ATOM 93 CA LYS A 6 -4.617 0.098 -5.831 1.00 0.58 C ATOM 94 C LYS A 6 -4.158 -1.061 -4.957 1.00 0.56 C ATOM 95 O LYS A 6 -4.044 -0.926 -3.735 1.00 0.51 O ATOM 96 CB LYS A 6 -3.694 1.306 -5.614 1.00 0.63 C ATOM 97 CG LYS A 6 -3.830 2.397 -6.667 1.00 1.21 C ATOM 98 CD LYS A 6 -2.727 3.445 -6.535 1.00 1.17 C ATOM 99 CE LYS A 6 -2.832 4.513 -7.614 1.00 1.38 C ATOM 100 NZ LYS A 6 -1.653 5.426 -7.632 1.00 1.38 N ATOM 0 H LYS A 6 -6.102 1.228 -4.883 1.00 0.54 H new ATOM 0 HA LYS A 6 -4.565 -0.198 -6.879 1.00 0.58 H new ATOM 0 HB2 LYS A 6 -3.902 1.736 -4.634 1.00 0.63 H new ATOM 0 HB3 LYS A 6 -2.660 0.960 -5.598 1.00 0.63 H new ATOM 0 HG2 LYS A 6 -3.792 1.951 -7.661 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -4.803 2.878 -6.570 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -2.786 3.913 -5.553 1.00 1.17 H new ATOM 0 HD3 LYS A 6 -1.754 2.959 -6.598 1.00 1.17 H new ATOM 0 HE2 LYS A 6 -2.930 4.033 -8.588 1.00 1.38 H new ATOM 0 HE3 LYS A 6 -3.738 5.098 -7.454 1.00 1.38 H new ATOM 0 HZ1 LYS A 6 -1.919 6.328 -8.077 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 -1.335 5.601 -6.658 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 -0.882 4.987 -8.174 1.00 1.38 H new ATOM 114 N THR A 7 -3.916 -2.195 -5.582 1.00 0.61 N ATOM 115 CA THR A 7 -3.471 -3.382 -4.875 1.00 0.62 C ATOM 116 C THR A 7 -1.988 -3.276 -4.527 1.00 0.63 C ATOM 117 O THR A 7 -1.233 -2.579 -5.206 1.00 0.74 O ATOM 118 CB THR A 7 -3.714 -4.641 -5.726 1.00 0.69 C ATOM 119 OG1 THR A 7 -4.920 -4.481 -6.485 1.00 1.05 O ATOM 120 CG2 THR A 7 -3.821 -5.887 -4.855 1.00 0.90 C ATOM 0 H THR A 7 -4.021 -2.321 -6.589 1.00 0.61 H new ATOM 0 HA THR A 7 -4.046 -3.460 -3.953 1.00 0.62 H new ATOM 0 HB THR A 7 -2.864 -4.767 -6.397 1.00 0.69 H new ATOM 0 HG1 THR A 7 -5.247 -5.360 -6.769 1.00 1.05 H new ATOM 0 HG21 THR A 7 -3.993 -6.759 -5.486 1.00 0.90 H new ATOM 0 HG22 THR A 7 -2.895 -6.021 -4.296 1.00 0.90 H new ATOM 0 HG23 THR A 7 -4.652 -5.774 -4.159 1.00 0.90 H new ATOM 128 N LEU A 8 -1.590 -3.967 -3.464 1.00 0.62 N ATOM 129 CA LEU A 8 -0.204 -3.969 -2.992 1.00 0.65 C ATOM 130 C LEU A 8 0.790 -4.355 -4.093 1.00 0.67 C ATOM 131 O LEU A 8 1.887 -3.812 -4.161 1.00 0.73 O ATOM 132 CB LEU A 8 -0.068 -4.939 -1.816 1.00 0.72 C ATOM 133 CG LEU A 8 1.323 -5.006 -1.181 1.00 0.84 C ATOM 134 CD1 LEU A 8 1.557 -3.805 -0.278 1.00 1.54 C ATOM 135 CD2 LEU A 8 1.488 -6.303 -0.406 1.00 0.94 C ATOM 0 H LEU A 8 -2.217 -4.543 -2.903 1.00 0.62 H new ATOM 0 HA LEU A 8 0.036 -2.953 -2.679 1.00 0.65 H new ATOM 0 HB2 LEU A 8 -0.787 -4.655 -1.047 1.00 0.72 H new ATOM 0 HB3 LEU A 8 -0.342 -5.937 -2.156 1.00 0.72 H new ATOM 0 HG LEU A 8 2.069 -4.983 -1.976 1.00 0.84 H new ATOM 0 HD11 LEU A 8 2.551 -3.871 0.164 1.00 1.54 H new ATOM 0 HD12 LEU A 8 1.480 -2.889 -0.864 1.00 1.54 H new ATOM 0 HD13 LEU A 8 0.808 -3.794 0.514 1.00 1.54 H new ATOM 0 HD21 LEU A 8 2.482 -6.336 0.040 1.00 0.94 H new ATOM 0 HD22 LEU A 8 0.735 -6.355 0.381 1.00 0.94 H new ATOM 0 HD23 LEU A 8 1.365 -7.149 -1.082 1.00 0.94 H new ATOM 147 N THR A 9 0.394 -5.280 -4.959 1.00 0.67 N ATOM 148 CA THR A 9 1.261 -5.738 -6.039 1.00 0.74 C ATOM 149 C THR A 9 1.221 -4.774 -7.237 1.00 0.75 C ATOM 150 O THR A 9 1.685 -5.101 -8.333 1.00 0.90 O ATOM 151 CB THR A 9 0.867 -7.169 -6.483 1.00 0.80 C ATOM 152 OG1 THR A 9 1.876 -7.739 -7.330 1.00 1.26 O ATOM 153 CG2 THR A 9 -0.469 -7.168 -7.214 1.00 0.91 C ATOM 0 H THR A 9 -0.522 -5.728 -4.935 1.00 0.67 H new ATOM 0 HA THR A 9 2.283 -5.758 -5.659 1.00 0.74 H new ATOM 0 HB THR A 9 0.775 -7.775 -5.582 1.00 0.80 H new ATOM 0 HG1 THR A 9 2.157 -7.077 -7.996 1.00 1.26 H new ATOM 0 HG21 THR A 9 -0.720 -8.185 -7.514 1.00 0.91 H new ATOM 0 HG22 THR A 9 -1.245 -6.782 -6.553 1.00 0.91 H new ATOM 0 HG23 THR A 9 -0.399 -6.536 -8.099 1.00 0.91 H new ATOM 161 N GLY A 10 0.675 -3.581 -7.023 1.00 0.71 N ATOM 162 CA GLY A 10 0.593 -2.599 -8.085 1.00 0.75 C ATOM 163 C GLY A 10 -0.447 -2.962 -9.122 1.00 0.76 C ATOM 164 O GLY A 10 -0.170 -2.960 -10.322 1.00 0.89 O ATOM 0 H GLY A 10 0.287 -3.278 -6.130 1.00 0.71 H new ATOM 0 HA2 GLY A 10 0.353 -1.625 -7.659 1.00 0.75 H new ATOM 0 HA3 GLY A 10 1.566 -2.506 -8.567 1.00 0.75 H new ATOM 168 N LYS A 11 -1.648 -3.266 -8.661 1.00 0.82 N ATOM 169 CA LYS A 11 -2.741 -3.640 -9.545 1.00 0.85 C ATOM 170 C LYS A 11 -3.917 -2.694 -9.335 1.00 0.77 C ATOM 171 O LYS A 11 -4.104 -2.168 -8.242 1.00 0.78 O ATOM 172 CB LYS A 11 -3.169 -5.082 -9.264 1.00 0.90 C ATOM 173 CG LYS A 11 -3.825 -5.784 -10.442 1.00 0.96 C ATOM 174 CD LYS A 11 -4.384 -7.138 -10.032 1.00 1.09 C ATOM 175 CE LYS A 11 -4.467 -8.092 -11.214 1.00 1.43 C ATOM 176 NZ LYS A 11 -3.142 -8.675 -11.562 1.00 1.63 N ATOM 0 H LYS A 11 -1.893 -3.261 -7.671 1.00 0.82 H new ATOM 0 HA LYS A 11 -2.407 -3.568 -10.580 1.00 0.85 H new ATOM 0 HB2 LYS A 11 -2.294 -5.655 -8.957 1.00 0.90 H new ATOM 0 HB3 LYS A 11 -3.862 -5.085 -8.423 1.00 0.90 H new ATOM 0 HG2 LYS A 11 -4.627 -5.162 -10.839 1.00 0.96 H new ATOM 0 HG3 LYS A 11 -3.097 -5.915 -11.242 1.00 0.96 H new ATOM 0 HD2 LYS A 11 -3.753 -7.573 -9.257 1.00 1.09 H new ATOM 0 HD3 LYS A 11 -5.376 -7.007 -9.600 1.00 1.09 H new ATOM 0 HE2 LYS A 11 -5.166 -8.896 -10.981 1.00 1.43 H new ATOM 0 HE3 LYS A 11 -4.867 -7.562 -12.079 1.00 1.43 H new ATOM 0 HZ1 LYS A 11 -3.171 -9.048 -12.533 1.00 1.63 H new ATOM 0 HZ2 LYS A 11 -2.410 -7.939 -11.495 1.00 1.63 H new ATOM 0 HZ3 LYS A 11 -2.918 -9.446 -10.902 1.00 1.63 H new ATOM 190 N THR A 12 -4.692 -2.464 -10.380 1.00 0.85 N ATOM 191 CA THR A 12 -5.847 -1.584 -10.285 1.00 0.80 C ATOM 192 C THR A 12 -7.137 -2.364 -10.515 1.00 0.81 C ATOM 193 O THR A 12 -7.464 -2.721 -11.648 1.00 0.91 O ATOM 194 CB THR A 12 -5.754 -0.430 -11.302 1.00 0.85 C ATOM 195 OG1 THR A 12 -4.407 0.070 -11.356 1.00 0.90 O ATOM 196 CG2 THR A 12 -6.703 0.703 -10.934 1.00 0.84 C ATOM 0 H THR A 12 -4.545 -2.872 -11.303 1.00 0.85 H new ATOM 0 HA THR A 12 -5.856 -1.162 -9.280 1.00 0.80 H new ATOM 0 HB THR A 12 -6.041 -0.818 -12.280 1.00 0.85 H new ATOM 0 HG1 THR A 12 -4.356 0.802 -12.006 1.00 0.90 H new ATOM 0 HG21 THR A 12 -6.616 1.503 -11.669 1.00 0.84 H new ATOM 0 HG22 THR A 12 -7.727 0.330 -10.923 1.00 0.84 H new ATOM 0 HG23 THR A 12 -6.446 1.087 -9.947 1.00 0.84 H new ATOM 204 N ILE A 13 -7.857 -2.640 -9.438 1.00 0.72 N ATOM 205 CA ILE A 13 -9.109 -3.379 -9.531 1.00 0.74 C ATOM 206 C ILE A 13 -10.291 -2.416 -9.519 1.00 0.71 C ATOM 207 O ILE A 13 -10.308 -1.446 -8.756 1.00 0.64 O ATOM 208 CB ILE A 13 -9.264 -4.399 -8.380 1.00 0.72 C ATOM 209 CG1 ILE A 13 -7.983 -5.225 -8.231 1.00 0.74 C ATOM 210 CG2 ILE A 13 -10.458 -5.310 -8.633 1.00 0.80 C ATOM 211 CD1 ILE A 13 -8.000 -6.169 -7.046 1.00 0.85 C ATOM 0 H ILE A 13 -7.597 -2.364 -8.491 1.00 0.72 H new ATOM 0 HA ILE A 13 -9.090 -3.931 -10.471 1.00 0.74 H new ATOM 0 HB ILE A 13 -9.438 -3.854 -7.452 1.00 0.72 H new ATOM 0 HG12 ILE A 13 -7.826 -5.803 -9.142 1.00 0.74 H new ATOM 0 HG13 ILE A 13 -7.134 -4.548 -8.133 1.00 0.74 H new ATOM 0 HG21 ILE A 13 -10.553 -6.022 -7.813 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -11.366 -4.710 -8.699 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -10.311 -5.851 -9.568 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -7.060 -6.719 -7.006 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -8.125 -5.597 -6.127 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -8.827 -6.871 -7.152 1.00 0.85 H new ATOM 223 N THR A 14 -11.261 -2.676 -10.381 1.00 0.80 N ATOM 224 CA THR A 14 -12.448 -1.842 -10.482 1.00 0.81 C ATOM 225 C THR A 14 -13.613 -2.469 -9.719 1.00 0.78 C ATOM 226 O THR A 14 -14.053 -3.571 -10.043 1.00 0.83 O ATOM 227 CB THR A 14 -12.839 -1.654 -11.957 1.00 0.94 C ATOM 228 OG1 THR A 14 -11.719 -1.976 -12.791 1.00 1.01 O ATOM 229 CG2 THR A 14 -13.273 -0.225 -12.226 1.00 1.07 C ATOM 0 H THR A 14 -11.249 -3.466 -11.026 1.00 0.80 H new ATOM 0 HA THR A 14 -12.222 -0.871 -10.042 1.00 0.81 H new ATOM 0 HB THR A 14 -13.675 -2.317 -12.180 1.00 0.94 H new ATOM 0 HG1 THR A 14 -11.967 -1.858 -13.732 1.00 1.01 H new ATOM 0 HG21 THR A 14 -13.544 -0.119 -13.276 1.00 1.07 H new ATOM 0 HG22 THR A 14 -14.134 0.017 -11.603 1.00 1.07 H new ATOM 0 HG23 THR A 14 -12.453 0.454 -11.992 1.00 1.07 H new ATOM 237 N LEU A 15 -14.104 -1.770 -8.704 1.00 0.74 N ATOM 238 CA LEU A 15 -15.208 -2.273 -7.894 1.00 0.75 C ATOM 239 C LEU A 15 -16.436 -1.377 -8.018 1.00 0.79 C ATOM 240 O LEU A 15 -16.326 -0.148 -7.973 1.00 0.81 O ATOM 241 CB LEU A 15 -14.783 -2.370 -6.424 1.00 0.74 C ATOM 242 CG LEU A 15 -14.834 -3.774 -5.812 1.00 0.74 C ATOM 243 CD1 LEU A 15 -16.259 -4.309 -5.800 1.00 0.97 C ATOM 244 CD2 LEU A 15 -13.915 -4.724 -6.567 1.00 0.93 C ATOM 0 H LEU A 15 -13.756 -0.854 -8.421 1.00 0.74 H new ATOM 0 HA LEU A 15 -15.469 -3.265 -8.262 1.00 0.75 H new ATOM 0 HB2 LEU A 15 -13.766 -1.990 -6.333 1.00 0.74 H new ATOM 0 HB3 LEU A 15 -15.423 -1.713 -5.835 1.00 0.74 H new ATOM 0 HG LEU A 15 -14.487 -3.705 -4.781 1.00 0.74 H new ATOM 0 HD11 LEU A 15 -16.269 -5.307 -5.361 1.00 0.97 H new ATOM 0 HD12 LEU A 15 -16.892 -3.646 -5.210 1.00 0.97 H new ATOM 0 HD13 LEU A 15 -16.638 -4.358 -6.821 1.00 0.97 H new ATOM 0 HD21 LEU A 15 -13.966 -5.715 -6.116 1.00 0.93 H new ATOM 0 HD22 LEU A 15 -14.229 -4.783 -7.609 1.00 0.93 H new ATOM 0 HD23 LEU A 15 -12.890 -4.355 -6.517 1.00 0.93 H new ATOM 256 N GLU A 16 -17.596 -1.997 -8.193 1.00 0.84 N ATOM 257 CA GLU A 16 -18.847 -1.265 -8.308 1.00 0.90 C ATOM 258 C GLU A 16 -19.652 -1.383 -7.010 1.00 0.83 C ATOM 259 O GLU A 16 -20.021 -2.480 -6.583 1.00 0.87 O ATOM 260 CB GLU A 16 -19.652 -1.754 -9.534 1.00 1.04 C ATOM 261 CG GLU A 16 -20.400 -3.082 -9.360 1.00 1.10 C ATOM 262 CD GLU A 16 -19.487 -4.273 -9.130 1.00 1.18 C ATOM 263 OE1 GLU A 16 -18.380 -4.307 -9.706 1.00 1.26 O ATOM 264 OE2 GLU A 16 -19.874 -5.184 -8.366 1.00 1.26 O ATOM 0 H GLU A 16 -17.695 -3.010 -8.258 1.00 0.84 H new ATOM 0 HA GLU A 16 -18.628 -0.209 -8.465 1.00 0.90 H new ATOM 0 HB2 GLU A 16 -20.376 -0.984 -9.799 1.00 1.04 H new ATOM 0 HB3 GLU A 16 -18.968 -1.852 -10.377 1.00 1.04 H new ATOM 0 HG2 GLU A 16 -21.086 -2.994 -8.518 1.00 1.10 H new ATOM 0 HG3 GLU A 16 -21.006 -3.266 -10.247 1.00 1.10 H new ATOM 271 N VAL A 17 -19.893 -0.251 -6.366 1.00 0.79 N ATOM 272 CA VAL A 17 -20.646 -0.219 -5.119 1.00 0.77 C ATOM 273 C VAL A 17 -21.419 1.087 -5.000 1.00 0.78 C ATOM 274 O VAL A 17 -20.888 2.162 -5.283 1.00 0.77 O ATOM 275 CB VAL A 17 -19.731 -0.391 -3.885 1.00 0.73 C ATOM 276 CG1 VAL A 17 -19.485 -1.866 -3.609 1.00 0.76 C ATOM 277 CG2 VAL A 17 -18.412 0.341 -4.079 1.00 0.71 C ATOM 0 H VAL A 17 -19.576 0.664 -6.688 1.00 0.79 H new ATOM 0 HA VAL A 17 -21.342 -1.058 -5.143 1.00 0.77 H new ATOM 0 HB VAL A 17 -20.237 0.046 -3.024 1.00 0.73 H new ATOM 0 HG11 VAL A 17 -18.839 -1.970 -2.737 1.00 0.76 H new ATOM 0 HG12 VAL A 17 -20.436 -2.364 -3.418 1.00 0.76 H new ATOM 0 HG13 VAL A 17 -19.004 -2.323 -4.474 1.00 0.76 H new ATOM 0 HG21 VAL A 17 -17.787 0.204 -3.197 1.00 0.71 H new ATOM 0 HG22 VAL A 17 -17.899 -0.060 -4.953 1.00 0.71 H new ATOM 0 HG23 VAL A 17 -18.604 1.404 -4.226 1.00 0.71 H new ATOM 287 N GLU A 18 -22.671 0.989 -4.587 1.00 0.86 N ATOM 288 CA GLU A 18 -23.532 2.154 -4.444 1.00 0.91 C ATOM 289 C GLU A 18 -23.257 2.860 -3.121 1.00 0.89 C ATOM 290 O GLU A 18 -22.639 2.286 -2.229 1.00 0.85 O ATOM 291 CB GLU A 18 -25.003 1.720 -4.521 1.00 1.00 C ATOM 292 CG GLU A 18 -25.456 1.343 -5.921 1.00 1.11 C ATOM 293 CD GLU A 18 -25.485 2.527 -6.866 1.00 1.10 C ATOM 294 OE1 GLU A 18 -24.405 3.025 -7.250 1.00 1.46 O ATOM 295 OE2 GLU A 18 -26.592 2.963 -7.241 1.00 1.29 O ATOM 0 H GLU A 18 -23.119 0.106 -4.342 1.00 0.86 H new ATOM 0 HA GLU A 18 -23.322 2.852 -5.254 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -25.157 0.869 -3.857 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -25.631 2.530 -4.151 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -24.788 0.580 -6.321 1.00 1.11 H new ATOM 0 HG3 GLU A 18 -26.451 0.900 -5.869 1.00 1.11 H new ATOM 302 N PRO A 19 -23.690 4.126 -2.973 1.00 0.95 N ATOM 303 CA PRO A 19 -23.493 4.879 -1.732 1.00 0.99 C ATOM 304 C PRO A 19 -24.196 4.212 -0.551 1.00 1.05 C ATOM 305 O PRO A 19 -23.863 4.465 0.608 1.00 1.09 O ATOM 306 CB PRO A 19 -24.111 6.250 -2.029 1.00 1.08 C ATOM 307 CG PRO A 19 -25.004 6.032 -3.201 1.00 1.07 C ATOM 308 CD PRO A 19 -24.367 4.934 -4.001 1.00 1.04 C ATOM 0 HA PRO A 19 -22.442 4.938 -1.450 1.00 0.99 H new ATOM 0 HB2 PRO A 19 -24.671 6.623 -1.172 1.00 1.08 H new ATOM 0 HB3 PRO A 19 -23.341 6.988 -2.253 1.00 1.08 H new ATOM 0 HG2 PRO A 19 -26.008 5.751 -2.881 1.00 1.07 H new ATOM 0 HG3 PRO A 19 -25.101 6.942 -3.793 1.00 1.07 H new ATOM 0 HD2 PRO A 19 -25.108 4.352 -4.549 1.00 1.04 H new ATOM 0 HD3 PRO A 19 -23.663 5.326 -4.735 1.00 1.04 H new ATOM 316 N SER A 20 -25.163 3.358 -0.867 1.00 1.11 N ATOM 317 CA SER A 20 -25.920 2.634 0.138 1.00 1.22 C ATOM 318 C SER A 20 -25.189 1.354 0.545 1.00 1.11 C ATOM 319 O SER A 20 -25.563 0.694 1.517 1.00 1.16 O ATOM 320 CB SER A 20 -27.313 2.310 -0.406 1.00 1.42 C ATOM 321 OG SER A 20 -27.301 2.239 -1.826 1.00 1.61 O ATOM 0 H SER A 20 -25.441 3.151 -1.826 1.00 1.11 H new ATOM 0 HA SER A 20 -26.021 3.259 1.026 1.00 1.22 H new ATOM 0 HB2 SER A 20 -27.657 1.361 0.006 1.00 1.42 H new ATOM 0 HB3 SER A 20 -28.020 3.073 -0.082 1.00 1.42 H new ATOM 0 HG SER A 20 -28.202 2.029 -2.151 1.00 1.61 H new ATOM 327 N ASP A 21 -24.144 1.012 -0.203 1.00 0.99 N ATOM 328 CA ASP A 21 -23.354 -0.183 0.075 1.00 0.91 C ATOM 329 C ASP A 21 -22.351 0.102 1.183 1.00 0.86 C ATOM 330 O ASP A 21 -21.467 0.951 1.033 1.00 0.89 O ATOM 331 CB ASP A 21 -22.595 -0.658 -1.173 1.00 0.87 C ATOM 332 CG ASP A 21 -23.412 -1.577 -2.061 1.00 0.92 C ATOM 333 OD1 ASP A 21 -23.753 -2.693 -1.614 1.00 1.09 O ATOM 334 OD2 ASP A 21 -23.694 -1.195 -3.221 1.00 1.32 O ATOM 0 H ASP A 21 -23.824 1.548 -1.009 1.00 0.99 H new ATOM 0 HA ASP A 21 -24.044 -0.968 0.385 1.00 0.91 H new ATOM 0 HB2 ASP A 21 -22.282 0.211 -1.752 1.00 0.87 H new ATOM 0 HB3 ASP A 21 -21.688 -1.177 -0.862 1.00 0.87 H new ATOM 339 N THR A 22 -22.501 -0.586 2.302 1.00 0.83 N ATOM 340 CA THR A 22 -21.593 -0.419 3.421 1.00 0.82 C ATOM 341 C THR A 22 -20.257 -1.084 3.104 1.00 0.76 C ATOM 342 O THR A 22 -20.201 -1.999 2.277 1.00 0.75 O ATOM 343 CB THR A 22 -22.185 -1.029 4.701 1.00 0.88 C ATOM 344 OG1 THR A 22 -23.255 -1.921 4.358 1.00 1.00 O ATOM 345 CG2 THR A 22 -22.701 0.053 5.637 1.00 1.13 C ATOM 0 H THR A 22 -23.245 -1.266 2.459 1.00 0.83 H new ATOM 0 HA THR A 22 -21.441 0.648 3.585 1.00 0.82 H new ATOM 0 HB THR A 22 -21.396 -1.578 5.216 1.00 0.88 H new ATOM 0 HG1 THR A 22 -23.631 -2.311 5.175 1.00 1.00 H new ATOM 0 HG21 THR A 22 -23.114 -0.408 6.534 1.00 1.13 H new ATOM 0 HG22 THR A 22 -21.881 0.715 5.914 1.00 1.13 H new ATOM 0 HG23 THR A 22 -23.478 0.629 5.134 1.00 1.13 H new ATOM 353 N ILE A 23 -19.188 -0.629 3.756 1.00 0.74 N ATOM 354 CA ILE A 23 -17.852 -1.180 3.524 1.00 0.69 C ATOM 355 C ILE A 23 -17.842 -2.702 3.692 1.00 0.67 C ATOM 356 O ILE A 23 -17.105 -3.410 2.999 1.00 0.63 O ATOM 357 CB ILE A 23 -16.802 -0.533 4.456 1.00 0.68 C ATOM 358 CG1 ILE A 23 -16.747 0.985 4.227 1.00 0.71 C ATOM 359 CG2 ILE A 23 -15.425 -1.149 4.236 1.00 0.63 C ATOM 360 CD1 ILE A 23 -16.456 1.384 2.794 1.00 0.69 C ATOM 0 H ILE A 23 -19.220 0.119 4.449 1.00 0.74 H new ATOM 0 HA ILE A 23 -17.584 -0.945 2.494 1.00 0.69 H new ATOM 0 HB ILE A 23 -17.101 -0.723 5.487 1.00 0.68 H new ATOM 0 HG12 ILE A 23 -17.699 1.422 4.528 1.00 0.71 H new ATOM 0 HG13 ILE A 23 -15.981 1.412 4.875 1.00 0.71 H new ATOM 0 HG21 ILE A 23 -14.704 -0.677 4.903 1.00 0.63 H new ATOM 0 HG22 ILE A 23 -15.467 -2.218 4.445 1.00 0.63 H new ATOM 0 HG23 ILE A 23 -15.118 -0.993 3.202 1.00 0.63 H new ATOM 0 HD11 ILE A 23 -16.434 2.471 2.716 1.00 0.69 H new ATOM 0 HD12 ILE A 23 -15.490 0.979 2.493 1.00 0.69 H new ATOM 0 HD13 ILE A 23 -17.235 0.989 2.141 1.00 0.69 H new ATOM 372 N GLU A 24 -18.678 -3.201 4.596 1.00 0.71 N ATOM 373 CA GLU A 24 -18.781 -4.635 4.839 1.00 0.72 C ATOM 374 C GLU A 24 -19.215 -5.368 3.567 1.00 0.71 C ATOM 375 O GLU A 24 -18.681 -6.429 3.243 1.00 0.71 O ATOM 376 CB GLU A 24 -19.765 -4.918 5.977 1.00 0.80 C ATOM 377 CG GLU A 24 -21.005 -4.036 5.943 1.00 0.95 C ATOM 378 CD GLU A 24 -22.133 -4.564 6.802 1.00 0.97 C ATOM 379 OE1 GLU A 24 -22.568 -5.708 6.576 1.00 1.14 O ATOM 380 OE2 GLU A 24 -22.602 -3.830 7.699 1.00 1.64 O ATOM 0 H GLU A 24 -19.296 -2.631 5.174 1.00 0.71 H new ATOM 0 HA GLU A 24 -17.797 -5.003 5.131 1.00 0.72 H new ATOM 0 HB2 GLU A 24 -20.071 -5.963 5.930 1.00 0.80 H new ATOM 0 HB3 GLU A 24 -19.255 -4.778 6.930 1.00 0.80 H new ATOM 0 HG2 GLU A 24 -20.740 -3.033 6.278 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -21.352 -3.946 4.913 1.00 0.95 H new ATOM 387 N ASN A 25 -20.165 -4.783 2.839 1.00 0.72 N ATOM 388 CA ASN A 25 -20.665 -5.378 1.602 1.00 0.73 C ATOM 389 C ASN A 25 -19.645 -5.192 0.486 1.00 0.69 C ATOM 390 O ASN A 25 -19.500 -6.044 -0.392 1.00 0.70 O ATOM 391 CB ASN A 25 -22.003 -4.745 1.198 1.00 0.79 C ATOM 392 CG ASN A 25 -22.871 -5.688 0.382 1.00 0.86 C ATOM 393 OD1 ASN A 25 -22.887 -6.897 0.618 1.00 0.96 O ATOM 394 ND2 ASN A 25 -23.599 -5.149 -0.587 1.00 0.97 N ATOM 0 H ASN A 25 -20.604 -3.896 3.086 1.00 0.72 H new ATOM 0 HA ASN A 25 -20.823 -6.443 1.771 1.00 0.73 H new ATOM 0 HB2 ASN A 25 -22.544 -4.443 2.095 1.00 0.79 H new ATOM 0 HB3 ASN A 25 -21.813 -3.840 0.621 1.00 0.79 H new ATOM 0 HD21 ASN A 25 -24.197 -5.740 -1.165 1.00 0.97 H new ATOM 0 HD22 ASN A 25 -23.561 -4.144 -0.754 1.00 0.97 H new ATOM 401 N VAL A 26 -18.939 -4.066 0.531 1.00 0.65 N ATOM 402 CA VAL A 26 -17.914 -3.760 -0.461 1.00 0.62 C ATOM 403 C VAL A 26 -16.818 -4.818 -0.424 1.00 0.58 C ATOM 404 O VAL A 26 -16.445 -5.382 -1.452 1.00 0.57 O ATOM 405 CB VAL A 26 -17.277 -2.371 -0.217 1.00 0.60 C ATOM 406 CG1 VAL A 26 -16.228 -2.061 -1.278 1.00 0.59 C ATOM 407 CG2 VAL A 26 -18.342 -1.282 -0.172 1.00 0.63 C ATOM 0 H VAL A 26 -19.059 -3.349 1.246 1.00 0.65 H new ATOM 0 HA VAL A 26 -18.399 -3.753 -1.437 1.00 0.62 H new ATOM 0 HB VAL A 26 -16.780 -2.395 0.753 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -15.795 -1.080 -1.085 1.00 0.59 H new ATOM 0 HG12 VAL A 26 -15.443 -2.817 -1.246 1.00 0.59 H new ATOM 0 HG13 VAL A 26 -16.695 -2.064 -2.263 1.00 0.59 H new ATOM 0 HG21 VAL A 26 -17.868 -0.316 0.001 1.00 0.63 H new ATOM 0 HG22 VAL A 26 -18.879 -1.258 -1.121 1.00 0.63 H new ATOM 0 HG23 VAL A 26 -19.043 -1.492 0.636 1.00 0.63 H new ATOM 417 N LYS A 27 -16.325 -5.094 0.778 1.00 0.57 N ATOM 418 CA LYS A 27 -15.273 -6.086 0.972 1.00 0.54 C ATOM 419 C LYS A 27 -15.759 -7.477 0.582 1.00 0.55 C ATOM 420 O LYS A 27 -14.989 -8.291 0.074 1.00 0.52 O ATOM 421 CB LYS A 27 -14.803 -6.092 2.428 1.00 0.59 C ATOM 422 CG LYS A 27 -14.167 -4.782 2.868 1.00 0.67 C ATOM 423 CD LYS A 27 -13.488 -4.917 4.222 1.00 0.82 C ATOM 424 CE LYS A 27 -14.494 -5.013 5.358 1.00 1.03 C ATOM 425 NZ LYS A 27 -13.851 -5.431 6.629 1.00 1.08 N ATOM 0 H LYS A 27 -16.639 -4.642 1.637 1.00 0.57 H new ATOM 0 HA LYS A 27 -14.436 -5.816 0.329 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -15.653 -6.309 3.075 1.00 0.59 H new ATOM 0 HB3 LYS A 27 -14.084 -6.900 2.566 1.00 0.59 H new ATOM 0 HG2 LYS A 27 -13.437 -4.463 2.124 1.00 0.67 H new ATOM 0 HG3 LYS A 27 -14.930 -4.005 2.919 1.00 0.67 H new ATOM 0 HD2 LYS A 27 -12.855 -5.804 4.223 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -12.836 -4.060 4.387 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -14.979 -4.047 5.497 1.00 1.03 H new ATOM 0 HE3 LYS A 27 -15.274 -5.727 5.093 1.00 1.03 H new ATOM 0 HZ1 LYS A 27 -14.537 -5.355 7.407 1.00 1.08 H new ATOM 0 HZ2 LYS A 27 -13.528 -6.416 6.547 1.00 1.08 H new ATOM 0 HZ3 LYS A 27 -13.036 -4.815 6.825 1.00 1.08 H new ATOM 439 N ALA A 28 -17.038 -7.743 0.826 1.00 0.63 N ATOM 440 CA ALA A 28 -17.631 -9.032 0.490 1.00 0.68 C ATOM 441 C ALA A 28 -17.603 -9.252 -1.019 1.00 0.68 C ATOM 442 O ALA A 28 -17.339 -10.358 -1.495 1.00 0.75 O ATOM 443 CB ALA A 28 -19.055 -9.112 1.017 1.00 0.75 C ATOM 0 H ALA A 28 -17.685 -7.082 1.256 1.00 0.63 H new ATOM 0 HA ALA A 28 -17.045 -9.820 0.963 1.00 0.68 H new ATOM 0 HB1 ALA A 28 -19.485 -10.080 0.759 1.00 0.75 H new ATOM 0 HB2 ALA A 28 -19.049 -8.995 2.101 1.00 0.75 H new ATOM 0 HB3 ALA A 28 -19.654 -8.318 0.570 1.00 0.75 H new ATOM 449 N LYS A 29 -17.861 -8.184 -1.763 1.00 0.65 N ATOM 450 CA LYS A 29 -17.850 -8.243 -3.217 1.00 0.70 C ATOM 451 C LYS A 29 -16.463 -8.615 -3.721 1.00 0.67 C ATOM 452 O LYS A 29 -16.321 -9.431 -4.629 1.00 0.76 O ATOM 453 CB LYS A 29 -18.268 -6.902 -3.821 1.00 0.72 C ATOM 454 CG LYS A 29 -19.762 -6.764 -4.053 1.00 1.05 C ATOM 455 CD LYS A 29 -20.070 -5.525 -4.876 1.00 1.00 C ATOM 456 CE LYS A 29 -21.518 -5.502 -5.338 1.00 1.39 C ATOM 457 NZ LYS A 29 -21.703 -4.628 -6.526 1.00 1.23 N ATOM 0 H LYS A 29 -18.081 -7.264 -1.381 1.00 0.65 H new ATOM 0 HA LYS A 29 -18.564 -9.006 -3.526 1.00 0.70 H new ATOM 0 HB2 LYS A 29 -17.938 -6.100 -3.161 1.00 0.72 H new ATOM 0 HB3 LYS A 29 -17.750 -6.766 -4.770 1.00 0.72 H new ATOM 0 HG2 LYS A 29 -20.138 -7.649 -4.566 1.00 1.05 H new ATOM 0 HG3 LYS A 29 -20.279 -6.707 -3.095 1.00 1.05 H new ATOM 0 HD2 LYS A 29 -19.863 -4.634 -4.283 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -19.411 -5.491 -5.743 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -21.839 -6.515 -5.578 1.00 1.39 H new ATOM 0 HE3 LYS A 29 -22.154 -5.150 -4.525 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 -22.716 -4.557 -6.750 1.00 1.23 H new ATOM 0 HZ2 LYS A 29 -21.326 -3.680 -6.322 1.00 1.23 H new ATOM 0 HZ3 LYS A 29 -21.197 -5.035 -7.338 1.00 1.23 H new ATOM 471 N ILE A 30 -15.440 -8.019 -3.118 1.00 0.57 N ATOM 472 CA ILE A 30 -14.062 -8.292 -3.504 1.00 0.55 C ATOM 473 C ILE A 30 -13.707 -9.747 -3.213 1.00 0.61 C ATOM 474 O ILE A 30 -12.979 -10.380 -3.970 1.00 0.65 O ATOM 475 CB ILE A 30 -13.067 -7.363 -2.777 1.00 0.45 C ATOM 476 CG1 ILE A 30 -13.560 -5.915 -2.825 1.00 0.48 C ATOM 477 CG2 ILE A 30 -11.680 -7.477 -3.401 1.00 0.46 C ATOM 478 CD1 ILE A 30 -12.731 -4.956 -1.995 1.00 0.45 C ATOM 0 H ILE A 30 -15.540 -7.344 -2.360 1.00 0.57 H new ATOM 0 HA ILE A 30 -13.983 -8.102 -4.574 1.00 0.55 H new ATOM 0 HB ILE A 30 -13.001 -7.671 -1.734 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -13.561 -5.576 -3.861 1.00 0.48 H new ATOM 0 HG13 ILE A 30 -14.593 -5.881 -2.478 1.00 0.48 H new ATOM 0 HG21 ILE A 30 -10.990 -6.816 -2.877 1.00 0.46 H new ATOM 0 HG22 ILE A 30 -11.328 -8.506 -3.321 1.00 0.46 H new ATOM 0 HG23 ILE A 30 -11.729 -7.191 -4.452 1.00 0.46 H new ATOM 0 HD11 ILE A 30 -13.143 -3.951 -2.081 1.00 0.45 H new ATOM 0 HD12 ILE A 30 -12.750 -5.268 -0.951 1.00 0.45 H new ATOM 0 HD13 ILE A 30 -11.702 -4.958 -2.356 1.00 0.45 H new ATOM 490 N GLN A 31 -14.246 -10.276 -2.122 1.00 0.64 N ATOM 491 CA GLN A 31 -14.000 -11.659 -1.734 1.00 0.74 C ATOM 492 C GLN A 31 -14.555 -12.619 -2.783 1.00 0.81 C ATOM 493 O GLN A 31 -13.970 -13.666 -3.064 1.00 0.87 O ATOM 494 CB GLN A 31 -14.641 -11.930 -0.368 1.00 0.80 C ATOM 495 CG GLN A 31 -14.632 -13.395 0.047 1.00 1.04 C ATOM 496 CD GLN A 31 -15.972 -14.077 -0.163 1.00 1.06 C ATOM 497 OE1 GLN A 31 -17.028 -13.451 -0.071 1.00 0.95 O ATOM 498 NE2 GLN A 31 -15.936 -15.367 -0.457 1.00 1.53 N ATOM 0 H GLN A 31 -14.860 -9.765 -1.487 1.00 0.64 H new ATOM 0 HA GLN A 31 -12.924 -11.821 -1.663 1.00 0.74 H new ATOM 0 HB2 GLN A 31 -14.117 -11.347 0.389 1.00 0.80 H new ATOM 0 HB3 GLN A 31 -15.672 -11.576 -0.386 1.00 0.80 H new ATOM 0 HG2 GLN A 31 -13.868 -13.924 -0.522 1.00 1.04 H new ATOM 0 HG3 GLN A 31 -14.354 -13.468 1.098 1.00 1.04 H new ATOM 0 HE21 GLN A 31 -15.040 -15.850 -0.524 1.00 1.53 H new ATOM 0 HE22 GLN A 31 -16.804 -15.878 -0.617 1.00 1.53 H new ATOM 507 N ASP A 32 -15.682 -12.242 -3.364 1.00 0.85 N ATOM 508 CA ASP A 32 -16.340 -13.062 -4.376 1.00 0.94 C ATOM 509 C ASP A 32 -15.690 -12.896 -5.746 1.00 0.97 C ATOM 510 O ASP A 32 -15.620 -13.844 -6.528 1.00 1.05 O ATOM 511 CB ASP A 32 -17.824 -12.693 -4.457 1.00 1.01 C ATOM 512 CG ASP A 32 -18.637 -13.700 -5.246 1.00 1.17 C ATOM 513 OD1 ASP A 32 -18.855 -14.820 -4.739 1.00 1.33 O ATOM 514 OD2 ASP A 32 -19.088 -13.364 -6.362 1.00 1.32 O ATOM 0 H ASP A 32 -16.165 -11.369 -3.153 1.00 0.85 H new ATOM 0 HA ASP A 32 -16.235 -14.106 -4.081 1.00 0.94 H new ATOM 0 HB2 ASP A 32 -18.230 -12.615 -3.448 1.00 1.01 H new ATOM 0 HB3 ASP A 32 -17.925 -11.710 -4.918 1.00 1.01 H new ATOM 519 N LYS A 33 -15.212 -11.694 -6.038 1.00 0.95 N ATOM 520 CA LYS A 33 -14.585 -11.412 -7.331 1.00 1.02 C ATOM 521 C LYS A 33 -13.110 -11.819 -7.363 1.00 0.98 C ATOM 522 O LYS A 33 -12.590 -12.204 -8.411 1.00 1.14 O ATOM 523 CB LYS A 33 -14.706 -9.924 -7.667 1.00 1.02 C ATOM 524 CG LYS A 33 -16.141 -9.428 -7.773 1.00 1.05 C ATOM 525 CD LYS A 33 -16.193 -7.913 -7.888 1.00 1.15 C ATOM 526 CE LYS A 33 -17.607 -7.374 -7.714 1.00 1.33 C ATOM 527 NZ LYS A 33 -18.398 -7.403 -8.977 1.00 1.55 N ATOM 0 H LYS A 33 -15.244 -10.897 -5.402 1.00 0.95 H new ATOM 0 HA LYS A 33 -15.114 -12.007 -8.075 1.00 1.02 H new ATOM 0 HB2 LYS A 33 -14.188 -9.346 -6.902 1.00 1.02 H new ATOM 0 HB3 LYS A 33 -14.196 -9.732 -8.611 1.00 1.02 H new ATOM 0 HG2 LYS A 33 -16.621 -9.878 -8.642 1.00 1.05 H new ATOM 0 HG3 LYS A 33 -16.705 -9.748 -6.897 1.00 1.05 H new ATOM 0 HD2 LYS A 33 -15.541 -7.470 -7.135 1.00 1.15 H new ATOM 0 HD3 LYS A 33 -15.807 -7.610 -8.861 1.00 1.15 H new ATOM 0 HE2 LYS A 33 -18.123 -7.961 -6.954 1.00 1.33 H new ATOM 0 HE3 LYS A 33 -17.557 -6.349 -7.346 1.00 1.33 H new ATOM 0 HZ1 LYS A 33 -19.205 -6.753 -8.896 1.00 1.55 H new ATOM 0 HZ2 LYS A 33 -17.795 -7.109 -9.771 1.00 1.55 H new ATOM 0 HZ3 LYS A 33 -18.747 -8.368 -9.146 1.00 1.55 H new ATOM 541 N GLU A 34 -12.432 -11.711 -6.227 1.00 0.84 N ATOM 542 CA GLU A 34 -11.015 -12.054 -6.147 1.00 0.82 C ATOM 543 C GLU A 34 -10.802 -13.334 -5.337 1.00 0.82 C ATOM 544 O GLU A 34 -10.468 -14.385 -5.889 1.00 1.08 O ATOM 545 CB GLU A 34 -10.233 -10.894 -5.520 1.00 0.75 C ATOM 546 CG GLU A 34 -8.768 -10.827 -5.932 1.00 1.08 C ATOM 547 CD GLU A 34 -7.938 -11.950 -5.343 1.00 1.63 C ATOM 548 OE1 GLU A 34 -8.043 -12.205 -4.128 1.00 1.88 O ATOM 549 OE2 GLU A 34 -7.175 -12.589 -6.098 1.00 2.06 O ATOM 0 H GLU A 34 -12.839 -11.389 -5.349 1.00 0.84 H new ATOM 0 HA GLU A 34 -10.648 -12.231 -7.158 1.00 0.82 H new ATOM 0 HB2 GLU A 34 -10.718 -9.956 -5.792 1.00 0.75 H new ATOM 0 HB3 GLU A 34 -10.289 -10.979 -4.435 1.00 0.75 H new ATOM 0 HG2 GLU A 34 -8.700 -10.863 -7.019 1.00 1.08 H new ATOM 0 HG3 GLU A 34 -8.351 -9.870 -5.618 1.00 1.08 H new ATOM 556 N GLY A 35 -10.984 -13.238 -4.027 1.00 0.96 N ATOM 557 CA GLY A 35 -10.796 -14.393 -3.172 1.00 0.98 C ATOM 558 C GLY A 35 -10.462 -14.006 -1.749 1.00 0.87 C ATOM 559 O GLY A 35 -10.836 -14.708 -0.807 1.00 1.01 O ATOM 0 H GLY A 35 -11.258 -12.383 -3.542 1.00 0.96 H new ATOM 0 HA2 GLY A 35 -11.703 -14.998 -3.178 1.00 0.98 H new ATOM 0 HA3 GLY A 35 -9.996 -15.014 -3.575 1.00 0.98 H new ATOM 563 N ILE A 36 -9.746 -12.895 -1.596 1.00 0.83 N ATOM 564 CA ILE A 36 -9.365 -12.403 -0.276 1.00 0.72 C ATOM 565 C ILE A 36 -10.604 -12.146 0.580 1.00 0.68 C ATOM 566 O ILE A 36 -11.493 -11.396 0.176 1.00 0.71 O ATOM 567 CB ILE A 36 -8.534 -11.101 -0.369 1.00 0.70 C ATOM 568 CG1 ILE A 36 -7.287 -11.318 -1.230 1.00 0.86 C ATOM 569 CG2 ILE A 36 -8.139 -10.611 1.020 1.00 0.66 C ATOM 570 CD1 ILE A 36 -6.520 -10.043 -1.527 1.00 0.88 C ATOM 0 H ILE A 36 -9.418 -12.318 -2.371 1.00 0.83 H new ATOM 0 HA ILE A 36 -8.751 -13.175 0.188 1.00 0.72 H new ATOM 0 HB ILE A 36 -9.153 -10.338 -0.840 1.00 0.70 H new ATOM 0 HG12 ILE A 36 -6.625 -12.020 -0.724 1.00 0.86 H new ATOM 0 HG13 ILE A 36 -7.583 -11.781 -2.171 1.00 0.86 H new ATOM 0 HG21 ILE A 36 -7.556 -9.695 0.930 1.00 0.66 H new ATOM 0 HG22 ILE A 36 -9.037 -10.413 1.605 1.00 0.66 H new ATOM 0 HG23 ILE A 36 -7.542 -11.374 1.519 1.00 0.66 H new ATOM 0 HD11 ILE A 36 -5.650 -10.276 -2.141 1.00 0.88 H new ATOM 0 HD12 ILE A 36 -7.165 -9.346 -2.062 1.00 0.88 H new ATOM 0 HD13 ILE A 36 -6.193 -9.589 -0.592 1.00 0.88 H new ATOM 582 N PRO A 37 -10.690 -12.784 1.759 1.00 0.70 N ATOM 583 CA PRO A 37 -11.826 -12.618 2.672 1.00 0.76 C ATOM 584 C PRO A 37 -11.956 -11.183 3.173 1.00 0.68 C ATOM 585 O PRO A 37 -10.959 -10.478 3.340 1.00 0.66 O ATOM 586 CB PRO A 37 -11.514 -13.567 3.832 1.00 0.91 C ATOM 587 CG PRO A 37 -10.049 -13.821 3.745 1.00 0.86 C ATOM 588 CD PRO A 37 -9.694 -13.727 2.288 1.00 0.75 C ATOM 0 HA PRO A 37 -12.773 -12.838 2.180 1.00 0.76 H new ATOM 0 HB2 PRO A 37 -11.780 -13.119 4.790 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -12.080 -14.494 3.745 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -9.491 -13.089 4.330 1.00 0.86 H new ATOM 0 HG3 PRO A 37 -9.800 -14.804 4.144 1.00 0.86 H new ATOM 0 HD2 PRO A 37 -8.677 -13.361 2.144 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -9.757 -14.697 1.795 1.00 0.75 H new ATOM 596 N PRO A 38 -13.193 -10.736 3.448 1.00 0.67 N ATOM 597 CA PRO A 38 -13.455 -9.371 3.914 1.00 0.65 C ATOM 598 C PRO A 38 -12.829 -9.072 5.275 1.00 0.74 C ATOM 599 O PRO A 38 -12.595 -7.912 5.620 1.00 0.75 O ATOM 600 CB PRO A 38 -14.984 -9.306 3.994 1.00 0.70 C ATOM 601 CG PRO A 38 -15.428 -10.721 4.113 1.00 0.76 C ATOM 602 CD PRO A 38 -14.432 -11.528 3.334 1.00 0.73 C ATOM 0 HA PRO A 38 -13.017 -8.630 3.245 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -15.309 -8.718 4.852 1.00 0.70 H new ATOM 0 HB3 PRO A 38 -15.405 -8.834 3.106 1.00 0.70 H new ATOM 0 HG2 PRO A 38 -15.456 -11.036 5.156 1.00 0.76 H new ATOM 0 HG3 PRO A 38 -16.434 -10.850 3.714 1.00 0.76 H new ATOM 0 HD2 PRO A 38 -14.310 -12.528 3.750 1.00 0.73 H new ATOM 0 HD3 PRO A 38 -14.737 -11.650 2.295 1.00 0.73 H new ATOM 610 N ASP A 39 -12.548 -10.123 6.035 1.00 0.85 N ATOM 611 CA ASP A 39 -11.949 -9.980 7.360 1.00 1.00 C ATOM 612 C ASP A 39 -10.470 -9.626 7.253 1.00 0.95 C ATOM 613 O ASP A 39 -9.893 -9.038 8.167 1.00 1.05 O ATOM 614 CB ASP A 39 -12.096 -11.282 8.153 1.00 1.20 C ATOM 615 CG ASP A 39 -13.480 -11.882 8.047 1.00 1.18 C ATOM 616 OD1 ASP A 39 -14.355 -11.536 8.867 1.00 1.53 O ATOM 617 OD2 ASP A 39 -13.697 -12.705 7.136 1.00 1.57 O ATOM 0 H ASP A 39 -12.725 -11.088 5.757 1.00 0.85 H new ATOM 0 HA ASP A 39 -12.471 -9.175 7.877 1.00 1.00 H new ATOM 0 HB2 ASP A 39 -11.364 -12.005 7.794 1.00 1.20 H new ATOM 0 HB3 ASP A 39 -11.868 -11.091 9.202 1.00 1.20 H new ATOM 622 N GLN A 40 -9.859 -9.988 6.131 1.00 0.91 N ATOM 623 CA GLN A 40 -8.444 -9.714 5.909 1.00 0.94 C ATOM 624 C GLN A 40 -8.259 -8.635 4.850 1.00 0.84 C ATOM 625 O GLN A 40 -7.142 -8.367 4.408 1.00 0.93 O ATOM 626 CB GLN A 40 -7.714 -10.996 5.494 1.00 1.05 C ATOM 627 CG GLN A 40 -7.737 -12.079 6.558 1.00 1.25 C ATOM 628 CD GLN A 40 -6.784 -13.214 6.245 1.00 1.38 C ATOM 629 OE1 GLN A 40 -5.605 -13.157 6.582 1.00 1.98 O ATOM 630 NE2 GLN A 40 -7.289 -14.257 5.610 1.00 1.60 N ATOM 0 H GLN A 40 -10.321 -10.472 5.361 1.00 0.91 H new ATOM 0 HA GLN A 40 -8.016 -9.351 6.844 1.00 0.94 H new ATOM 0 HB2 GLN A 40 -8.168 -11.384 4.582 1.00 1.05 H new ATOM 0 HB3 GLN A 40 -6.678 -10.754 5.256 1.00 1.05 H new ATOM 0 HG2 GLN A 40 -7.475 -11.643 7.522 1.00 1.25 H new ATOM 0 HG3 GLN A 40 -8.749 -12.473 6.650 1.00 1.25 H new ATOM 0 HE21 GLN A 40 -8.274 -14.266 5.347 1.00 1.60 H new ATOM 0 HE22 GLN A 40 -6.693 -15.053 5.383 1.00 1.60 H new ATOM 639 N GLN A 41 -9.359 -8.010 4.460 1.00 0.75 N ATOM 640 CA GLN A 41 -9.324 -6.961 3.455 1.00 0.70 C ATOM 641 C GLN A 41 -9.031 -5.622 4.114 1.00 0.60 C ATOM 642 O GLN A 41 -9.931 -4.968 4.644 1.00 0.68 O ATOM 643 CB GLN A 41 -10.656 -6.898 2.707 1.00 0.73 C ATOM 644 CG GLN A 41 -10.523 -6.487 1.250 1.00 0.74 C ATOM 645 CD GLN A 41 -10.496 -7.673 0.303 1.00 0.74 C ATOM 646 OE1 GLN A 41 -9.797 -7.661 -0.706 1.00 1.32 O ATOM 647 NE2 GLN A 41 -11.272 -8.700 0.610 1.00 0.87 N ATOM 0 H GLN A 41 -10.289 -8.212 4.826 1.00 0.75 H new ATOM 0 HA GLN A 41 -8.533 -7.186 2.739 1.00 0.70 H new ATOM 0 HB2 GLN A 41 -11.136 -7.875 2.757 1.00 0.73 H new ATOM 0 HB3 GLN A 41 -11.314 -6.193 3.215 1.00 0.73 H new ATOM 0 HG2 GLN A 41 -11.355 -5.835 0.984 1.00 0.74 H new ATOM 0 HG3 GLN A 41 -9.609 -5.906 1.123 1.00 0.74 H new ATOM 0 HE21 GLN A 41 -11.840 -8.675 1.457 1.00 0.87 H new ATOM 0 HE22 GLN A 41 -11.303 -9.517 -0.000 1.00 0.87 H new ATOM 656 N ARG A 42 -7.770 -5.228 4.101 1.00 0.54 N ATOM 657 CA ARG A 42 -7.358 -3.971 4.702 1.00 0.55 C ATOM 658 C ARG A 42 -7.412 -2.841 3.680 1.00 0.47 C ATOM 659 O ARG A 42 -6.500 -2.674 2.870 1.00 0.51 O ATOM 660 CB ARG A 42 -5.948 -4.102 5.283 1.00 0.71 C ATOM 661 CG ARG A 42 -5.458 -2.863 6.022 1.00 0.83 C ATOM 662 CD ARG A 42 -4.066 -3.081 6.592 1.00 1.06 C ATOM 663 NE ARG A 42 -3.554 -1.891 7.271 1.00 0.88 N ATOM 664 CZ ARG A 42 -2.366 -1.836 7.867 1.00 0.94 C ATOM 665 NH1 ARG A 42 -1.568 -2.896 7.857 1.00 1.58 N ATOM 666 NH2 ARG A 42 -1.971 -0.718 8.465 1.00 1.55 N ATOM 0 H ARG A 42 -7.011 -5.762 3.679 1.00 0.54 H new ATOM 0 HA ARG A 42 -8.049 -3.731 5.510 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -5.926 -4.951 5.966 1.00 0.71 H new ATOM 0 HB3 ARG A 42 -5.253 -4.327 4.474 1.00 0.71 H new ATOM 0 HG2 ARG A 42 -5.447 -2.011 5.342 1.00 0.83 H new ATOM 0 HG3 ARG A 42 -6.150 -2.619 6.828 1.00 0.83 H new ATOM 0 HD2 ARG A 42 -4.089 -3.915 7.293 1.00 1.06 H new ATOM 0 HD3 ARG A 42 -3.385 -3.359 5.787 1.00 1.06 H new ATOM 0 HE ARG A 42 -4.141 -1.057 7.288 1.00 0.88 H new ATOM 0 HH11 ARG A 42 -1.865 -3.754 7.392 1.00 1.58 H new ATOM 0 HH12 ARG A 42 -0.657 -2.853 8.314 1.00 1.58 H new ATOM 0 HH21 ARG A 42 -2.579 0.101 8.468 1.00 1.55 H new ATOM 0 HH22 ARG A 42 -1.060 -0.678 8.921 1.00 1.55 H new ATOM 680 N LEU A 43 -8.490 -2.072 3.719 1.00 0.47 N ATOM 681 CA LEU A 43 -8.666 -0.954 2.804 1.00 0.43 C ATOM 682 C LEU A 43 -8.259 0.352 3.477 1.00 0.47 C ATOM 683 O LEU A 43 -8.870 0.771 4.462 1.00 0.55 O ATOM 684 CB LEU A 43 -10.122 -0.873 2.331 1.00 0.44 C ATOM 685 CG LEU A 43 -10.571 -2.002 1.398 1.00 0.40 C ATOM 686 CD1 LEU A 43 -12.057 -1.886 1.099 1.00 0.50 C ATOM 687 CD2 LEU A 43 -9.767 -1.980 0.109 1.00 0.40 C ATOM 0 H LEU A 43 -9.258 -2.202 4.377 1.00 0.47 H new ATOM 0 HA LEU A 43 -8.026 -1.115 1.936 1.00 0.43 H new ATOM 0 HB2 LEU A 43 -10.771 -0.868 3.206 1.00 0.44 H new ATOM 0 HB3 LEU A 43 -10.268 0.078 1.820 1.00 0.44 H new ATOM 0 HG LEU A 43 -10.393 -2.953 1.899 1.00 0.40 H new ATOM 0 HD11 LEU A 43 -12.359 -2.696 0.435 1.00 0.50 H new ATOM 0 HD12 LEU A 43 -12.621 -1.950 2.029 1.00 0.50 H new ATOM 0 HD13 LEU A 43 -12.258 -0.929 0.618 1.00 0.50 H new ATOM 0 HD21 LEU A 43 -10.100 -2.789 -0.541 1.00 0.40 H new ATOM 0 HD22 LEU A 43 -9.914 -1.025 -0.395 1.00 0.40 H new ATOM 0 HD23 LEU A 43 -8.709 -2.110 0.338 1.00 0.40 H new ATOM 699 N ILE A 44 -7.219 0.983 2.953 1.00 0.45 N ATOM 700 CA ILE A 44 -6.730 2.239 3.503 1.00 0.50 C ATOM 701 C ILE A 44 -7.070 3.399 2.574 1.00 0.52 C ATOM 702 O ILE A 44 -6.803 3.341 1.370 1.00 0.52 O ATOM 703 CB ILE A 44 -5.202 2.202 3.735 1.00 0.54 C ATOM 704 CG1 ILE A 44 -4.827 1.020 4.636 1.00 0.54 C ATOM 705 CG2 ILE A 44 -4.721 3.513 4.348 1.00 0.63 C ATOM 706 CD1 ILE A 44 -3.344 0.922 4.933 1.00 0.62 C ATOM 0 H ILE A 44 -6.696 0.645 2.145 1.00 0.45 H new ATOM 0 HA ILE A 44 -7.223 2.384 4.464 1.00 0.50 H new ATOM 0 HB ILE A 44 -4.710 2.073 2.771 1.00 0.54 H new ATOM 0 HG12 ILE A 44 -5.371 1.105 5.577 1.00 0.54 H new ATOM 0 HG13 ILE A 44 -5.155 0.095 4.161 1.00 0.54 H new ATOM 0 HG21 ILE A 44 -3.643 3.468 4.504 1.00 0.63 H new ATOM 0 HG22 ILE A 44 -4.956 4.337 3.675 1.00 0.63 H new ATOM 0 HG23 ILE A 44 -5.220 3.672 5.304 1.00 0.63 H new ATOM 0 HD11 ILE A 44 -3.158 0.062 5.576 1.00 0.62 H new ATOM 0 HD12 ILE A 44 -2.793 0.804 4.000 1.00 0.62 H new ATOM 0 HD13 ILE A 44 -3.013 1.830 5.437 1.00 0.62 H new ATOM 718 N PHE A 45 -7.670 4.440 3.131 1.00 0.56 N ATOM 719 CA PHE A 45 -8.040 5.614 2.359 1.00 0.59 C ATOM 720 C PHE A 45 -7.471 6.873 3.005 1.00 0.68 C ATOM 721 O PHE A 45 -7.941 7.304 4.058 1.00 0.72 O ATOM 722 CB PHE A 45 -9.565 5.719 2.244 1.00 0.65 C ATOM 723 CG PHE A 45 -10.025 6.777 1.279 1.00 0.73 C ATOM 724 CD1 PHE A 45 -9.757 6.663 -0.075 1.00 0.79 C ATOM 725 CD2 PHE A 45 -10.723 7.888 1.729 1.00 0.85 C ATOM 726 CE1 PHE A 45 -10.174 7.636 -0.963 1.00 0.92 C ATOM 727 CE2 PHE A 45 -11.140 8.864 0.845 1.00 0.96 C ATOM 728 CZ PHE A 45 -10.866 8.738 -0.502 1.00 0.98 C ATOM 0 H PHE A 45 -7.912 4.494 4.120 1.00 0.56 H new ATOM 0 HA PHE A 45 -7.622 5.516 1.357 1.00 0.59 H new ATOM 0 HB2 PHE A 45 -9.965 4.755 1.930 1.00 0.65 H new ATOM 0 HB3 PHE A 45 -9.981 5.931 3.229 1.00 0.65 H new ATOM 0 HD1 PHE A 45 -9.216 5.803 -0.441 1.00 0.79 H new ATOM 0 HD2 PHE A 45 -10.943 7.991 2.781 1.00 0.85 H new ATOM 0 HE1 PHE A 45 -9.959 7.535 -2.016 1.00 0.92 H new ATOM 0 HE2 PHE A 45 -11.680 9.726 1.208 1.00 0.96 H new ATOM 0 HZ PHE A 45 -11.192 9.500 -1.194 1.00 0.98 H new ATOM 738 N ALA A 46 -6.427 7.423 2.382 1.00 0.79 N ATOM 739 CA ALA A 46 -5.769 8.647 2.856 1.00 0.95 C ATOM 740 C ALA A 46 -5.201 8.497 4.268 1.00 0.94 C ATOM 741 O ALA A 46 -4.933 9.489 4.943 1.00 1.10 O ATOM 742 CB ALA A 46 -6.728 9.828 2.796 1.00 1.05 C ATOM 0 H ALA A 46 -6.012 7.034 1.535 1.00 0.79 H new ATOM 0 HA ALA A 46 -4.928 8.833 2.188 1.00 0.95 H new ATOM 0 HB1 ALA A 46 -6.222 10.726 3.151 1.00 1.05 H new ATOM 0 HB2 ALA A 46 -7.055 9.979 1.767 1.00 1.05 H new ATOM 0 HB3 ALA A 46 -7.594 9.626 3.426 1.00 1.05 H new ATOM 748 N GLY A 47 -5.008 7.263 4.707 1.00 0.93 N ATOM 749 CA GLY A 47 -4.470 7.031 6.033 1.00 0.93 C ATOM 750 C GLY A 47 -5.505 6.478 6.986 1.00 0.82 C ATOM 751 O GLY A 47 -5.165 5.869 8.001 1.00 0.91 O ATOM 0 H GLY A 47 -5.213 6.419 4.172 1.00 0.93 H new ATOM 0 HA2 GLY A 47 -3.633 6.336 5.966 1.00 0.93 H new ATOM 0 HA3 GLY A 47 -4.076 7.966 6.431 1.00 0.93 H new ATOM 755 N LYS A 48 -6.769 6.686 6.659 1.00 0.78 N ATOM 756 CA LYS A 48 -7.854 6.199 7.489 1.00 0.77 C ATOM 757 C LYS A 48 -8.301 4.827 7.011 1.00 0.68 C ATOM 758 O LYS A 48 -8.142 4.489 5.835 1.00 0.61 O ATOM 759 CB LYS A 48 -9.034 7.175 7.461 1.00 0.91 C ATOM 760 CG LYS A 48 -8.997 8.211 8.576 1.00 1.51 C ATOM 761 CD LYS A 48 -7.877 9.226 8.378 1.00 2.12 C ATOM 762 CE LYS A 48 -7.726 10.127 9.592 1.00 2.92 C ATOM 763 NZ LYS A 48 -6.606 11.092 9.433 1.00 3.57 N ATOM 0 H LYS A 48 -7.068 7.189 5.824 1.00 0.78 H new ATOM 0 HA LYS A 48 -7.495 6.119 8.515 1.00 0.77 H new ATOM 0 HB2 LYS A 48 -9.047 7.689 6.500 1.00 0.91 H new ATOM 0 HB3 LYS A 48 -9.963 6.610 7.533 1.00 0.91 H new ATOM 0 HG2 LYS A 48 -9.954 8.731 8.619 1.00 1.51 H new ATOM 0 HG3 LYS A 48 -8.865 7.708 9.534 1.00 1.51 H new ATOM 0 HD2 LYS A 48 -6.939 8.703 8.192 1.00 2.12 H new ATOM 0 HD3 LYS A 48 -8.085 9.832 7.496 1.00 2.12 H new ATOM 0 HE2 LYS A 48 -8.655 10.673 9.756 1.00 2.92 H new ATOM 0 HE3 LYS A 48 -7.555 9.516 10.478 1.00 2.92 H new ATOM 0 HZ1 LYS A 48 -6.537 11.687 10.283 1.00 3.57 H new ATOM 0 HZ2 LYS A 48 -5.715 10.571 9.302 1.00 3.57 H new ATOM 0 HZ3 LYS A 48 -6.781 11.693 8.602 1.00 3.57 H new ATOM 777 N GLN A 49 -8.844 4.038 7.919 1.00 0.77 N ATOM 778 CA GLN A 49 -9.317 2.708 7.582 1.00 0.74 C ATOM 779 C GLN A 49 -10.819 2.740 7.347 1.00 0.72 C ATOM 780 O GLN A 49 -11.547 3.453 8.034 1.00 0.78 O ATOM 781 CB GLN A 49 -8.971 1.706 8.688 1.00 0.80 C ATOM 782 CG GLN A 49 -9.526 2.079 10.054 1.00 1.06 C ATOM 783 CD GLN A 49 -9.130 1.094 11.136 1.00 1.51 C ATOM 784 OE1 GLN A 49 -8.925 -0.091 10.874 1.00 1.83 O ATOM 785 NE2 GLN A 49 -9.023 1.574 12.362 1.00 2.01 N ATOM 0 H GLN A 49 -8.969 4.296 8.898 1.00 0.77 H new ATOM 0 HA GLN A 49 -8.819 2.384 6.668 1.00 0.74 H new ATOM 0 HB2 GLN A 49 -9.353 0.724 8.408 1.00 0.80 H new ATOM 0 HB3 GLN A 49 -7.887 1.618 8.759 1.00 0.80 H new ATOM 0 HG2 GLN A 49 -9.172 3.073 10.326 1.00 1.06 H new ATOM 0 HG3 GLN A 49 -10.613 2.132 9.997 1.00 1.06 H new ATOM 0 HE21 GLN A 49 -9.201 2.562 12.540 1.00 2.01 H new ATOM 0 HE22 GLN A 49 -8.762 0.956 13.131 1.00 2.01 H new ATOM 794 N LEU A 50 -11.276 1.985 6.367 1.00 0.68 N ATOM 795 CA LEU A 50 -12.693 1.941 6.051 1.00 0.68 C ATOM 796 C LEU A 50 -13.402 0.928 6.942 1.00 0.71 C ATOM 797 O LEU A 50 -13.351 -0.273 6.685 1.00 0.69 O ATOM 798 CB LEU A 50 -12.896 1.588 4.575 1.00 0.64 C ATOM 799 CG LEU A 50 -12.282 2.576 3.578 1.00 0.62 C ATOM 800 CD1 LEU A 50 -12.551 2.131 2.152 1.00 0.56 C ATOM 801 CD2 LEU A 50 -12.828 3.977 3.802 1.00 0.72 C ATOM 0 H LEU A 50 -10.690 1.395 5.777 1.00 0.68 H new ATOM 0 HA LEU A 50 -13.123 2.926 6.235 1.00 0.68 H new ATOM 0 HB2 LEU A 50 -12.471 0.601 4.392 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -13.966 1.516 4.379 1.00 0.64 H new ATOM 0 HG LEU A 50 -11.204 2.595 3.741 1.00 0.62 H new ATOM 0 HD11 LEU A 50 -12.107 2.845 1.458 1.00 0.56 H new ATOM 0 HD12 LEU A 50 -12.112 1.146 1.989 1.00 0.56 H new ATOM 0 HD13 LEU A 50 -13.627 2.081 1.983 1.00 0.56 H new ATOM 0 HD21 LEU A 50 -12.378 4.662 3.083 1.00 0.72 H new ATOM 0 HD22 LEU A 50 -13.910 3.971 3.670 1.00 0.72 H new ATOM 0 HD23 LEU A 50 -12.588 4.304 4.814 1.00 0.72 H new ATOM 813 N GLU A 51 -14.030 1.415 8.010 1.00 0.76 N ATOM 814 CA GLU A 51 -14.752 0.542 8.930 1.00 0.79 C ATOM 815 C GLU A 51 -15.914 -0.131 8.212 1.00 0.76 C ATOM 816 O GLU A 51 -16.564 0.481 7.368 1.00 0.77 O ATOM 817 CB GLU A 51 -15.282 1.321 10.134 1.00 0.88 C ATOM 818 CG GLU A 51 -14.247 2.198 10.819 1.00 0.94 C ATOM 819 CD GLU A 51 -14.769 2.779 12.114 1.00 1.04 C ATOM 820 OE1 GLU A 51 -15.435 3.840 12.076 1.00 1.33 O ATOM 821 OE2 GLU A 51 -14.534 2.168 13.175 1.00 1.25 O ATOM 0 H GLU A 51 -14.053 2.404 8.258 1.00 0.76 H new ATOM 0 HA GLU A 51 -14.053 -0.214 9.287 1.00 0.79 H new ATOM 0 HB2 GLU A 51 -16.113 1.947 9.809 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -15.681 0.614 10.862 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -13.350 1.612 11.019 1.00 0.94 H new ATOM 0 HG3 GLU A 51 -13.956 3.007 10.149 1.00 0.94 H new ATOM 828 N ASP A 52 -16.186 -1.377 8.573 1.00 0.77 N ATOM 829 CA ASP A 52 -17.255 -2.151 7.943 1.00 0.77 C ATOM 830 C ASP A 52 -18.607 -1.459 8.075 1.00 0.82 C ATOM 831 O ASP A 52 -19.413 -1.477 7.147 1.00 0.81 O ATOM 832 CB ASP A 52 -17.354 -3.556 8.547 1.00 0.81 C ATOM 833 CG ASP A 52 -16.112 -3.972 9.303 1.00 1.32 C ATOM 834 OD1 ASP A 52 -15.949 -3.549 10.470 1.00 1.66 O ATOM 835 OD2 ASP A 52 -15.295 -4.730 8.745 1.00 1.87 O ATOM 0 H ASP A 52 -15.680 -1.879 9.303 1.00 0.77 H new ATOM 0 HA ASP A 52 -16.999 -2.228 6.886 1.00 0.77 H new ATOM 0 HB2 ASP A 52 -18.210 -3.595 9.220 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -17.543 -4.274 7.749 1.00 0.81 H new ATOM 840 N GLY A 53 -18.835 -0.828 9.222 1.00 0.93 N ATOM 841 CA GLY A 53 -20.098 -0.158 9.470 1.00 1.01 C ATOM 842 C GLY A 53 -20.182 1.239 8.874 1.00 0.95 C ATOM 843 O GLY A 53 -21.160 1.948 9.102 1.00 1.04 O ATOM 0 H GLY A 53 -18.164 -0.769 9.988 1.00 0.93 H new ATOM 0 HA2 GLY A 53 -20.906 -0.765 9.063 1.00 1.01 H new ATOM 0 HA3 GLY A 53 -20.259 -0.094 10.546 1.00 1.01 H new ATOM 847 N ARG A 54 -19.176 1.643 8.113 1.00 0.92 N ATOM 848 CA ARG A 54 -19.180 2.966 7.497 1.00 0.87 C ATOM 849 C ARG A 54 -19.596 2.872 6.032 1.00 0.83 C ATOM 850 O ARG A 54 -19.586 1.788 5.443 1.00 0.82 O ATOM 851 CB ARG A 54 -17.795 3.612 7.599 1.00 0.87 C ATOM 852 CG ARG A 54 -17.338 3.879 9.022 1.00 0.92 C ATOM 853 CD ARG A 54 -17.731 5.267 9.502 1.00 1.02 C ATOM 854 NE ARG A 54 -17.047 5.634 10.746 1.00 1.23 N ATOM 855 CZ ARG A 54 -17.141 6.832 11.326 1.00 1.64 C ATOM 856 NH1 ARG A 54 -17.843 7.799 10.751 1.00 1.89 N ATOM 857 NH2 ARG A 54 -16.515 7.070 12.472 1.00 1.95 N ATOM 0 H ARG A 54 -18.351 1.080 7.907 1.00 0.92 H new ATOM 0 HA ARG A 54 -19.900 3.586 8.032 1.00 0.87 H new ATOM 0 HB2 ARG A 54 -17.067 2.964 7.111 1.00 0.87 H new ATOM 0 HB3 ARG A 54 -17.804 4.553 7.049 1.00 0.87 H new ATOM 0 HG2 ARG A 54 -17.770 3.131 9.687 1.00 0.92 H new ATOM 0 HG3 ARG A 54 -16.255 3.770 9.080 1.00 0.92 H new ATOM 0 HD2 ARG A 54 -17.494 5.998 8.729 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -18.809 5.305 9.657 1.00 1.02 H new ATOM 0 HE ARG A 54 -16.463 4.929 11.196 1.00 1.23 H new ATOM 0 HH11 ARG A 54 -18.313 7.628 9.862 1.00 1.89 H new ATOM 0 HH12 ARG A 54 -17.912 8.713 11.198 1.00 1.89 H new ATOM 0 HH21 ARG A 54 -15.960 6.336 12.912 1.00 1.95 H new ATOM 0 HH22 ARG A 54 -16.589 7.987 12.913 1.00 1.95 H new ATOM 871 N THR A 55 -19.971 4.004 5.449 1.00 0.84 N ATOM 872 CA THR A 55 -20.376 4.048 4.053 1.00 0.82 C ATOM 873 C THR A 55 -19.474 4.989 3.260 1.00 0.80 C ATOM 874 O THR A 55 -18.741 5.796 3.839 1.00 0.83 O ATOM 875 CB THR A 55 -21.840 4.501 3.900 1.00 0.89 C ATOM 876 OG1 THR A 55 -22.064 5.697 4.655 1.00 1.07 O ATOM 877 CG2 THR A 55 -22.802 3.418 4.363 1.00 0.85 C ATOM 0 H THR A 55 -20.002 4.906 5.925 1.00 0.84 H new ATOM 0 HA THR A 55 -20.283 3.035 3.661 1.00 0.82 H new ATOM 0 HB THR A 55 -22.023 4.695 2.843 1.00 0.89 H new ATOM 0 HG1 THR A 55 -22.997 5.980 4.551 1.00 1.07 H new ATOM 0 HG21 THR A 55 -23.828 3.767 4.243 1.00 0.85 H new ATOM 0 HG22 THR A 55 -22.652 2.519 3.766 1.00 0.85 H new ATOM 0 HG23 THR A 55 -22.616 3.191 5.413 1.00 0.85 H new ATOM 885 N LEU A 56 -19.541 4.892 1.937 1.00 0.78 N ATOM 886 CA LEU A 56 -18.733 5.731 1.060 1.00 0.77 C ATOM 887 C LEU A 56 -19.071 7.214 1.234 1.00 0.83 C ATOM 888 O LEU A 56 -18.190 8.072 1.186 1.00 0.88 O ATOM 889 CB LEU A 56 -18.945 5.314 -0.397 1.00 0.77 C ATOM 890 CG LEU A 56 -18.673 3.838 -0.698 1.00 0.73 C ATOM 891 CD1 LEU A 56 -19.270 3.453 -2.041 1.00 0.91 C ATOM 892 CD2 LEU A 56 -17.178 3.554 -0.684 1.00 1.12 C ATOM 0 H LEU A 56 -20.150 4.237 1.446 1.00 0.78 H new ATOM 0 HA LEU A 56 -17.686 5.593 1.332 1.00 0.77 H new ATOM 0 HB2 LEU A 56 -19.973 5.542 -0.678 1.00 0.77 H new ATOM 0 HB3 LEU A 56 -18.299 5.923 -1.030 1.00 0.77 H new ATOM 0 HG LEU A 56 -19.145 3.237 0.079 1.00 0.73 H new ATOM 0 HD11 LEU A 56 -19.068 2.401 -2.241 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -20.347 3.618 -2.021 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -18.824 4.063 -2.826 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -17.006 2.500 -0.900 1.00 1.12 H new ATOM 0 HD22 LEU A 56 -16.685 4.165 -1.440 1.00 1.12 H new ATOM 0 HD23 LEU A 56 -16.771 3.794 0.298 1.00 1.12 H new ATOM 904 N SER A 57 -20.345 7.509 1.455 1.00 0.84 N ATOM 905 CA SER A 57 -20.789 8.886 1.625 1.00 0.90 C ATOM 906 C SER A 57 -20.428 9.428 3.008 1.00 0.95 C ATOM 907 O SER A 57 -20.280 10.635 3.187 1.00 1.03 O ATOM 908 CB SER A 57 -22.298 8.965 1.411 1.00 0.93 C ATOM 909 OG SER A 57 -22.708 8.081 0.380 1.00 1.15 O ATOM 0 H SER A 57 -21.089 6.814 1.521 1.00 0.84 H new ATOM 0 HA SER A 57 -20.277 9.502 0.885 1.00 0.90 H new ATOM 0 HB2 SER A 57 -22.815 8.715 2.338 1.00 0.93 H new ATOM 0 HB3 SER A 57 -22.580 9.986 1.154 1.00 0.93 H new ATOM 0 HG SER A 57 -23.678 8.146 0.260 1.00 1.15 H new ATOM 915 N ASP A 58 -20.270 8.536 3.979 1.00 0.93 N ATOM 916 CA ASP A 58 -19.935 8.945 5.342 1.00 0.99 C ATOM 917 C ASP A 58 -18.527 9.527 5.415 1.00 0.99 C ATOM 918 O ASP A 58 -18.293 10.532 6.085 1.00 1.06 O ATOM 919 CB ASP A 58 -20.065 7.769 6.308 1.00 1.04 C ATOM 920 CG ASP A 58 -20.001 8.212 7.755 1.00 1.27 C ATOM 921 OD1 ASP A 58 -20.948 8.885 8.219 1.00 1.93 O ATOM 922 OD2 ASP A 58 -19.008 7.891 8.431 1.00 1.45 O ATOM 0 H ASP A 58 -20.367 7.529 3.851 1.00 0.93 H new ATOM 0 HA ASP A 58 -20.642 9.721 5.635 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -21.009 7.255 6.128 1.00 1.04 H new ATOM 0 HB3 ASP A 58 -19.269 7.051 6.113 1.00 1.04 H new ATOM 927 N TYR A 59 -17.597 8.901 4.703 1.00 0.95 N ATOM 928 CA TYR A 59 -16.212 9.367 4.677 1.00 0.97 C ATOM 929 C TYR A 59 -16.022 10.445 3.614 1.00 1.00 C ATOM 930 O TYR A 59 -14.912 10.946 3.425 1.00 1.06 O ATOM 931 CB TYR A 59 -15.249 8.206 4.410 1.00 0.94 C ATOM 932 CG TYR A 59 -14.936 7.372 5.628 1.00 0.89 C ATOM 933 CD1 TYR A 59 -14.404 7.951 6.776 1.00 0.91 C ATOM 934 CD2 TYR A 59 -15.158 6.004 5.630 1.00 0.87 C ATOM 935 CE1 TYR A 59 -14.104 7.186 7.886 1.00 0.91 C ATOM 936 CE2 TYR A 59 -14.863 5.235 6.736 1.00 0.88 C ATOM 937 CZ TYR A 59 -14.336 5.830 7.860 1.00 0.88 C ATOM 938 OH TYR A 59 -14.041 5.062 8.962 1.00 0.93 O ATOM 0 H TYR A 59 -17.774 8.071 4.137 1.00 0.95 H new ATOM 0 HA TYR A 59 -15.989 9.792 5.656 1.00 0.97 H new ATOM 0 HB2 TYR A 59 -15.678 7.562 3.642 1.00 0.94 H new ATOM 0 HB3 TYR A 59 -14.318 8.605 4.008 1.00 0.94 H new ATOM 0 HD1 TYR A 59 -14.223 9.015 6.799 1.00 0.91 H new ATOM 0 HD2 TYR A 59 -15.569 5.532 4.750 1.00 0.87 H new ATOM 0 HE1 TYR A 59 -13.690 7.649 8.769 1.00 0.91 H new ATOM 0 HE2 TYR A 59 -15.045 4.170 6.720 1.00 0.88 H new ATOM 0 HH TYR A 59 -13.257 4.506 8.773 1.00 0.93 H new ATOM 948 N ASN A 60 -17.116 10.800 2.942 1.00 0.98 N ATOM 949 CA ASN A 60 -17.091 11.806 1.885 1.00 1.03 C ATOM 950 C ASN A 60 -16.066 11.413 0.823 1.00 1.00 C ATOM 951 O ASN A 60 -15.094 12.129 0.562 1.00 1.07 O ATOM 952 CB ASN A 60 -16.788 13.192 2.463 1.00 1.14 C ATOM 953 CG ASN A 60 -16.932 14.317 1.447 1.00 1.17 C ATOM 954 OD1 ASN A 60 -17.803 14.140 0.459 1.00 1.43 O flip ATOM 955 ND2 ASN A 60 -16.265 15.347 1.558 1.00 1.27 N flip ATOM 0 H ASN A 60 -18.039 10.400 3.114 1.00 0.98 H new ATOM 0 HA ASN A 60 -18.074 11.854 1.416 1.00 1.03 H new ATOM 0 HB2 ASN A 60 -17.458 13.382 3.301 1.00 1.14 H new ATOM 0 HB3 ASN A 60 -15.772 13.198 2.859 1.00 1.14 H new ATOM 0 HD21 ASN A 60 -15.606 15.447 2.330 1.00 1.27 H new ATOM 0 HD22 ASN A 60 -16.372 16.100 0.878 1.00 1.27 H new ATOM 962 N ILE A 61 -16.280 10.241 0.247 1.00 0.92 N ATOM 963 CA ILE A 61 -15.404 9.716 -0.781 1.00 0.90 C ATOM 964 C ILE A 61 -15.875 10.172 -2.159 1.00 0.96 C ATOM 965 O ILE A 61 -17.032 9.976 -2.527 1.00 1.00 O ATOM 966 CB ILE A 61 -15.344 8.172 -0.718 1.00 0.82 C ATOM 967 CG1 ILE A 61 -14.913 7.717 0.682 1.00 0.81 C ATOM 968 CG2 ILE A 61 -14.392 7.630 -1.774 1.00 0.83 C ATOM 969 CD1 ILE A 61 -14.891 6.213 0.852 1.00 0.77 C ATOM 0 H ILE A 61 -17.064 9.631 0.480 1.00 0.92 H new ATOM 0 HA ILE A 61 -14.400 10.103 -0.606 1.00 0.90 H new ATOM 0 HB ILE A 61 -16.339 7.776 -0.922 1.00 0.82 H new ATOM 0 HG12 ILE A 61 -13.919 8.112 0.893 1.00 0.81 H new ATOM 0 HG13 ILE A 61 -15.591 8.147 1.419 1.00 0.81 H new ATOM 0 HG21 ILE A 61 -14.363 6.542 -1.714 1.00 0.83 H new ATOM 0 HG22 ILE A 61 -14.737 7.930 -2.763 1.00 0.83 H new ATOM 0 HG23 ILE A 61 -13.392 8.029 -1.602 1.00 0.83 H new ATOM 0 HD11 ILE A 61 -14.577 5.966 1.866 1.00 0.77 H new ATOM 0 HD12 ILE A 61 -15.889 5.812 0.673 1.00 0.77 H new ATOM 0 HD13 ILE A 61 -14.191 5.776 0.139 1.00 0.77 H new ATOM 981 N GLN A 62 -14.974 10.804 -2.898 1.00 1.01 N ATOM 982 CA GLN A 62 -15.277 11.302 -4.235 1.00 1.09 C ATOM 983 C GLN A 62 -15.403 10.155 -5.236 1.00 1.01 C ATOM 984 O GLN A 62 -14.929 9.047 -4.987 1.00 0.95 O ATOM 985 CB GLN A 62 -14.183 12.274 -4.682 1.00 1.21 C ATOM 986 CG GLN A 62 -14.690 13.682 -4.937 1.00 1.47 C ATOM 987 CD GLN A 62 -15.499 13.787 -6.210 1.00 1.79 C ATOM 988 OE1 GLN A 62 -16.698 13.513 -6.224 1.00 2.18 O ATOM 989 NE2 GLN A 62 -14.851 14.185 -7.291 1.00 2.18 N ATOM 0 H GLN A 62 -14.018 10.986 -2.592 1.00 1.01 H new ATOM 0 HA GLN A 62 -16.234 11.823 -4.200 1.00 1.09 H new ATOM 0 HB2 GLN A 62 -13.406 12.309 -3.919 1.00 1.21 H new ATOM 0 HB3 GLN A 62 -13.719 11.893 -5.592 1.00 1.21 H new ATOM 0 HG2 GLN A 62 -15.303 14.002 -4.094 1.00 1.47 H new ATOM 0 HG3 GLN A 62 -13.842 14.365 -4.992 1.00 1.47 H new ATOM 0 HE21 GLN A 62 -13.856 14.403 -7.238 1.00 2.18 H new ATOM 0 HE22 GLN A 62 -15.346 14.274 -8.178 1.00 2.18 H new ATOM 998 N LYS A 63 -16.043 10.430 -6.366 1.00 1.04 N ATOM 999 CA LYS A 63 -16.226 9.426 -7.410 1.00 1.05 C ATOM 1000 C LYS A 63 -14.889 9.096 -8.073 1.00 0.99 C ATOM 1001 O LYS A 63 -14.031 9.974 -8.213 1.00 1.00 O ATOM 1002 CB LYS A 63 -17.236 9.924 -8.453 1.00 1.19 C ATOM 1003 CG LYS A 63 -16.906 11.301 -9.017 1.00 1.25 C ATOM 1004 CD LYS A 63 -18.152 12.161 -9.167 1.00 1.54 C ATOM 1005 CE LYS A 63 -17.801 13.558 -9.648 1.00 1.61 C ATOM 1006 NZ LYS A 63 -18.982 14.460 -9.656 1.00 2.42 N ATOM 0 H LYS A 63 -16.445 11.342 -6.584 1.00 1.04 H new ATOM 0 HA LYS A 63 -16.617 8.516 -6.955 1.00 1.05 H new ATOM 0 HB2 LYS A 63 -17.282 9.207 -9.273 1.00 1.19 H new ATOM 0 HB3 LYS A 63 -18.227 9.955 -8.000 1.00 1.19 H new ATOM 0 HG2 LYS A 63 -16.195 11.802 -8.361 1.00 1.25 H new ATOM 0 HG3 LYS A 63 -16.421 11.190 -9.987 1.00 1.25 H new ATOM 0 HD2 LYS A 63 -18.838 11.692 -9.873 1.00 1.54 H new ATOM 0 HD3 LYS A 63 -18.672 12.223 -8.211 1.00 1.54 H new ATOM 0 HE2 LYS A 63 -17.028 13.979 -9.005 1.00 1.61 H new ATOM 0 HE3 LYS A 63 -17.383 13.500 -10.653 1.00 1.61 H new ATOM 0 HZ1 LYS A 63 -18.697 15.402 -9.991 1.00 2.42 H new ATOM 0 HZ2 LYS A 63 -19.710 14.073 -10.290 1.00 2.42 H new ATOM 0 HZ3 LYS A 63 -19.367 14.537 -8.693 1.00 2.42 H new ATOM 1020 N GLU A 64 -14.716 7.827 -8.459 1.00 1.01 N ATOM 1021 CA GLU A 64 -13.482 7.362 -9.098 1.00 1.02 C ATOM 1022 C GLU A 64 -12.288 7.609 -8.180 1.00 0.93 C ATOM 1023 O GLU A 64 -11.200 7.976 -8.628 1.00 1.02 O ATOM 1024 CB GLU A 64 -13.274 8.058 -10.445 1.00 1.16 C ATOM 1025 CG GLU A 64 -14.229 7.594 -11.531 1.00 1.41 C ATOM 1026 CD GLU A 64 -13.991 8.295 -12.852 1.00 1.38 C ATOM 1027 OE1 GLU A 64 -12.894 8.866 -13.043 1.00 1.50 O ATOM 1028 OE2 GLU A 64 -14.903 8.284 -13.707 1.00 2.13 O ATOM 0 H GLU A 64 -15.421 7.100 -8.338 1.00 1.01 H new ATOM 0 HA GLU A 64 -13.569 6.291 -9.279 1.00 1.02 H new ATOM 0 HB2 GLU A 64 -13.389 9.133 -10.309 1.00 1.16 H new ATOM 0 HB3 GLU A 64 -12.250 7.886 -10.777 1.00 1.16 H new ATOM 0 HG2 GLU A 64 -14.121 6.518 -11.670 1.00 1.41 H new ATOM 0 HG3 GLU A 64 -15.255 7.772 -11.209 1.00 1.41 H new ATOM 1035 N SER A 65 -12.507 7.387 -6.897 1.00 0.88 N ATOM 1036 CA SER A 65 -11.490 7.601 -5.885 1.00 0.92 C ATOM 1037 C SER A 65 -10.354 6.589 -5.988 1.00 0.80 C ATOM 1038 O SER A 65 -10.490 5.539 -6.622 1.00 0.74 O ATOM 1039 CB SER A 65 -12.147 7.514 -4.517 1.00 1.08 C ATOM 1040 OG SER A 65 -13.421 6.898 -4.628 1.00 1.07 O ATOM 0 H SER A 65 -13.397 7.053 -6.527 1.00 0.88 H new ATOM 0 HA SER A 65 -11.049 8.586 -6.038 1.00 0.92 H new ATOM 0 HB2 SER A 65 -11.516 6.942 -3.837 1.00 1.08 H new ATOM 0 HB3 SER A 65 -12.252 8.512 -4.091 1.00 1.08 H new ATOM 0 HG SER A 65 -14.089 7.570 -4.878 1.00 1.07 H new ATOM 1046 N THR A 66 -9.236 6.926 -5.363 1.00 0.82 N ATOM 1047 CA THR A 66 -8.067 6.070 -5.352 1.00 0.77 C ATOM 1048 C THR A 66 -7.920 5.387 -3.995 1.00 0.67 C ATOM 1049 O THR A 66 -7.474 6.002 -3.025 1.00 0.72 O ATOM 1050 CB THR A 66 -6.801 6.890 -5.649 1.00 0.95 C ATOM 1051 OG1 THR A 66 -7.164 8.115 -6.300 1.00 1.11 O ATOM 1052 CG2 THR A 66 -5.841 6.109 -6.531 1.00 1.37 C ATOM 0 H THR A 66 -9.117 7.800 -4.851 1.00 0.82 H new ATOM 0 HA THR A 66 -8.194 5.311 -6.124 1.00 0.77 H new ATOM 0 HB THR A 66 -6.302 7.107 -4.705 1.00 0.95 H new ATOM 0 HG1 THR A 66 -6.356 8.638 -6.487 1.00 1.11 H new ATOM 0 HG21 THR A 66 -4.954 6.712 -6.726 1.00 1.37 H new ATOM 0 HG22 THR A 66 -5.550 5.188 -6.026 1.00 1.37 H new ATOM 0 HG23 THR A 66 -6.329 5.866 -7.475 1.00 1.37 H new ATOM 1060 N LEU A 67 -8.311 4.125 -3.930 1.00 0.60 N ATOM 1061 CA LEU A 67 -8.232 3.359 -2.691 1.00 0.54 C ATOM 1062 C LEU A 67 -6.966 2.509 -2.670 1.00 0.48 C ATOM 1063 O LEU A 67 -6.242 2.439 -3.663 1.00 0.51 O ATOM 1064 CB LEU A 67 -9.467 2.467 -2.533 1.00 0.53 C ATOM 1065 CG LEU A 67 -10.658 3.106 -1.811 1.00 0.60 C ATOM 1066 CD1 LEU A 67 -11.277 4.209 -2.654 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -11.697 2.050 -1.473 1.00 0.77 C ATOM 0 H LEU A 67 -8.688 3.605 -4.722 1.00 0.60 H new ATOM 0 HA LEU A 67 -8.197 4.059 -1.856 1.00 0.54 H new ATOM 0 HB2 LEU A 67 -9.793 2.150 -3.524 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -9.176 1.568 -1.990 1.00 0.53 H new ATOM 0 HG LEU A 67 -10.296 3.552 -0.884 1.00 0.60 H new ATOM 0 HD11 LEU A 67 -12.120 4.646 -2.119 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -10.532 4.980 -2.849 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -11.624 3.793 -3.600 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -12.538 2.518 -0.960 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -12.048 1.578 -2.391 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -11.251 1.295 -0.825 1.00 0.77 H new ATOM 1079 N HIS A 68 -6.695 1.870 -1.540 1.00 0.49 N ATOM 1080 CA HIS A 68 -5.516 1.024 -1.411 1.00 0.49 C ATOM 1081 C HIS A 68 -5.870 -0.297 -0.751 1.00 0.46 C ATOM 1082 O HIS A 68 -6.430 -0.321 0.345 1.00 0.50 O ATOM 1083 CB HIS A 68 -4.431 1.730 -0.595 1.00 0.61 C ATOM 1084 CG HIS A 68 -3.216 2.078 -1.397 1.00 1.03 C ATOM 1085 ND1 HIS A 68 -2.112 1.256 -1.489 1.00 1.45 N ATOM 1086 CD2 HIS A 68 -2.937 3.166 -2.152 1.00 1.62 C ATOM 1087 CE1 HIS A 68 -1.207 1.827 -2.265 1.00 2.01 C ATOM 1088 NE2 HIS A 68 -1.682 2.986 -2.679 1.00 2.11 N ATOM 0 H HIS A 68 -7.274 1.921 -0.702 1.00 0.49 H new ATOM 0 HA HIS A 68 -5.136 0.828 -2.414 1.00 0.49 H new ATOM 0 HB2 HIS A 68 -4.846 2.641 -0.164 1.00 0.61 H new ATOM 0 HB3 HIS A 68 -4.137 1.089 0.236 1.00 0.61 H new ATOM 0 HD2 HIS A 68 -3.582 4.018 -2.311 1.00 1.62 H new ATOM 0 HE1 HIS A 68 -0.241 1.414 -2.518 1.00 2.01 H new ATOM 0 HE2 HIS A 68 -1.196 3.642 -3.291 1.00 2.11 H new ATOM 1097 N LEU A 69 -5.541 -1.390 -1.424 1.00 0.44 N ATOM 1098 CA LEU A 69 -5.821 -2.717 -0.903 1.00 0.44 C ATOM 1099 C LEU A 69 -4.556 -3.322 -0.311 1.00 0.49 C ATOM 1100 O LEU A 69 -3.622 -3.681 -1.035 1.00 0.52 O ATOM 1101 CB LEU A 69 -6.380 -3.623 -2.003 1.00 0.48 C ATOM 1102 CG LEU A 69 -6.661 -5.072 -1.589 1.00 0.57 C ATOM 1103 CD1 LEU A 69 -7.579 -5.111 -0.375 1.00 0.57 C ATOM 1104 CD2 LEU A 69 -7.274 -5.846 -2.748 1.00 0.64 C ATOM 0 H LEU A 69 -5.079 -1.382 -2.333 1.00 0.44 H new ATOM 0 HA LEU A 69 -6.572 -2.630 -0.118 1.00 0.44 H new ATOM 0 HB2 LEU A 69 -7.306 -3.184 -2.375 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.675 -3.632 -2.835 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.716 -5.545 -1.320 1.00 0.57 H new ATOM 0 HD11 LEU A 69 -7.768 -6.147 -0.095 1.00 0.57 H new ATOM 0 HD12 LEU A 69 -7.104 -4.591 0.457 1.00 0.57 H new ATOM 0 HD13 LEU A 69 -8.523 -4.623 -0.617 1.00 0.57 H new ATOM 0 HD21 LEU A 69 -7.467 -6.873 -2.438 1.00 0.64 H new ATOM 0 HD22 LEU A 69 -8.210 -5.374 -3.046 1.00 0.64 H new ATOM 0 HD23 LEU A 69 -6.583 -5.846 -3.591 1.00 0.64 H new ATOM 1116 N VAL A 70 -4.526 -3.409 1.007 1.00 0.56 N ATOM 1117 CA VAL A 70 -3.386 -3.966 1.709 1.00 0.66 C ATOM 1118 C VAL A 70 -3.804 -5.237 2.436 1.00 0.74 C ATOM 1119 O VAL A 70 -4.995 -5.491 2.619 1.00 0.92 O ATOM 1120 CB VAL A 70 -2.796 -2.957 2.725 1.00 0.71 C ATOM 1121 CG1 VAL A 70 -1.334 -3.266 3.018 1.00 0.99 C ATOM 1122 CG2 VAL A 70 -2.946 -1.529 2.221 1.00 0.97 C ATOM 0 H VAL A 70 -5.284 -3.099 1.615 1.00 0.56 H new ATOM 0 HA VAL A 70 -2.615 -4.194 0.973 1.00 0.66 H new ATOM 0 HB VAL A 70 -3.358 -3.055 3.654 1.00 0.71 H new ATOM 0 HG11 VAL A 70 -0.946 -2.542 3.734 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -1.251 -4.270 3.435 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -0.758 -3.208 2.095 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -2.524 -0.839 2.952 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -2.419 -1.420 1.273 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -4.003 -1.303 2.076 1.00 0.97 H new ATOM 1132 N LEU A 71 -2.832 -6.038 2.845 1.00 0.77 N ATOM 1133 CA LEU A 71 -3.119 -7.277 3.548 1.00 0.87 C ATOM 1134 C LEU A 71 -3.036 -7.067 5.056 1.00 0.90 C ATOM 1135 O LEU A 71 -2.756 -5.962 5.522 1.00 1.01 O ATOM 1136 CB LEU A 71 -2.145 -8.372 3.111 1.00 0.95 C ATOM 1137 CG LEU A 71 -2.116 -8.652 1.604 1.00 1.05 C ATOM 1138 CD1 LEU A 71 -0.977 -9.595 1.254 1.00 1.26 C ATOM 1139 CD2 LEU A 71 -3.446 -9.230 1.141 1.00 1.52 C ATOM 0 H LEU A 71 -1.839 -5.852 2.702 1.00 0.77 H new ATOM 0 HA LEU A 71 -4.133 -7.590 3.298 1.00 0.87 H new ATOM 0 HB2 LEU A 71 -1.141 -8.094 3.433 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -2.402 -9.295 3.631 1.00 0.95 H new ATOM 0 HG LEU A 71 -1.951 -7.707 1.086 1.00 1.05 H new ATOM 0 HD11 LEU A 71 -0.975 -9.780 0.180 1.00 1.26 H new ATOM 0 HD12 LEU A 71 -0.029 -9.144 1.546 1.00 1.26 H new ATOM 0 HD13 LEU A 71 -1.109 -10.538 1.784 1.00 1.26 H new ATOM 0 HD21 LEU A 71 -3.406 -9.422 0.069 1.00 1.52 H new ATOM 0 HD22 LEU A 71 -3.641 -10.163 1.670 1.00 1.52 H new ATOM 0 HD23 LEU A 71 -4.245 -8.519 1.353 1.00 1.52 H new ATOM 1151 N ARG A 72 -3.280 -8.127 5.811 1.00 0.98 N ATOM 1152 CA ARG A 72 -3.233 -8.054 7.267 1.00 1.06 C ATOM 1153 C ARG A 72 -1.790 -8.058 7.767 1.00 0.98 C ATOM 1154 O ARG A 72 -0.879 -8.487 7.058 1.00 0.98 O ATOM 1155 CB ARG A 72 -3.988 -9.231 7.883 1.00 1.26 C ATOM 1156 CG ARG A 72 -3.348 -10.579 7.580 1.00 1.27 C ATOM 1157 CD ARG A 72 -3.753 -11.638 8.591 1.00 1.51 C ATOM 1158 NE ARG A 72 -2.640 -12.529 8.916 1.00 1.92 N ATOM 1159 CZ ARG A 72 -2.541 -13.798 8.512 1.00 2.21 C ATOM 1160 NH1 ARG A 72 -3.483 -14.341 7.751 1.00 2.37 N ATOM 1161 NH2 ARG A 72 -1.485 -14.517 8.868 1.00 2.72 N ATOM 0 H ARG A 72 -3.513 -9.049 5.442 1.00 0.98 H new ATOM 0 HA ARG A 72 -3.708 -7.121 7.571 1.00 1.06 H new ATOM 0 HB2 ARG A 72 -4.040 -9.095 8.963 1.00 1.26 H new ATOM 0 HB3 ARG A 72 -5.013 -9.231 7.512 1.00 1.26 H new ATOM 0 HG2 ARG A 72 -3.638 -10.902 6.580 1.00 1.27 H new ATOM 0 HG3 ARG A 72 -2.263 -10.474 7.579 1.00 1.27 H new ATOM 0 HD2 ARG A 72 -4.110 -11.155 9.501 1.00 1.51 H new ATOM 0 HD3 ARG A 72 -4.583 -12.222 8.193 1.00 1.51 H new ATOM 0 HE ARG A 72 -1.886 -12.155 9.492 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -4.292 -13.788 7.469 1.00 2.37 H new ATOM 0 HH12 ARG A 72 -3.397 -15.311 7.448 1.00 2.37 H new ATOM 0 HH21 ARG A 72 -0.756 -14.100 9.446 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -1.402 -15.487 8.563 1.00 2.72 H new ATOM 1175 N LEU A 73 -1.586 -7.578 8.984 1.00 1.04 N ATOM 1176 CA LEU A 73 -0.255 -7.548 9.578 1.00 1.05 C ATOM 1177 C LEU A 73 -0.125 -8.668 10.604 1.00 1.17 C ATOM 1178 O LEU A 73 0.845 -9.430 10.600 1.00 1.27 O ATOM 1179 CB LEU A 73 0.017 -6.191 10.235 1.00 1.16 C ATOM 1180 CG LEU A 73 1.368 -6.065 10.949 1.00 1.25 C ATOM 1181 CD1 LEU A 73 2.523 -6.260 9.973 1.00 1.23 C ATOM 1182 CD2 LEU A 73 1.469 -4.714 11.639 1.00 1.44 C ATOM 0 H LEU A 73 -2.324 -7.204 9.581 1.00 1.04 H new ATOM 0 HA LEU A 73 0.483 -7.696 8.790 1.00 1.05 H new ATOM 0 HB2 LEU A 73 -0.044 -5.417 9.470 1.00 1.16 H new ATOM 0 HB3 LEU A 73 -0.776 -5.990 10.956 1.00 1.16 H new ATOM 0 HG LEU A 73 1.434 -6.850 11.703 1.00 1.25 H new ATOM 0 HD11 LEU A 73 3.469 -6.166 10.506 1.00 1.23 H new ATOM 0 HD12 LEU A 73 2.457 -7.251 9.524 1.00 1.23 H new ATOM 0 HD13 LEU A 73 2.470 -5.503 9.191 1.00 1.23 H new ATOM 0 HD21 LEU A 73 2.432 -4.634 12.143 1.00 1.44 H new ATOM 0 HD22 LEU A 73 1.380 -3.919 10.898 1.00 1.44 H new ATOM 0 HD23 LEU A 73 0.667 -4.618 12.371 1.00 1.44 H new ATOM 1194 N ARG A 74 -1.119 -8.763 11.473 1.00 1.29 N ATOM 1195 CA ARG A 74 -1.158 -9.786 12.506 1.00 1.48 C ATOM 1196 C ARG A 74 -2.503 -10.492 12.467 1.00 1.52 C ATOM 1197 O ARG A 74 -3.432 -10.019 11.815 1.00 1.42 O ATOM 1198 CB ARG A 74 -0.947 -9.168 13.891 1.00 1.65 C ATOM 1199 CG ARG A 74 0.502 -8.839 14.208 1.00 1.66 C ATOM 1200 CD ARG A 74 0.715 -8.697 15.705 1.00 1.87 C ATOM 1201 NE ARG A 74 2.074 -8.279 16.034 1.00 2.02 N ATOM 1202 CZ ARG A 74 2.552 -8.208 17.275 1.00 2.49 C ATOM 1203 NH1 ARG A 74 1.798 -8.577 18.305 1.00 3.05 N ATOM 1204 NH2 ARG A 74 3.793 -7.794 17.483 1.00 2.67 N ATOM 0 H ARG A 74 -1.921 -8.133 11.482 1.00 1.29 H new ATOM 0 HA ARG A 74 -0.357 -10.501 12.319 1.00 1.48 H new ATOM 0 HB2 ARG A 74 -1.540 -8.256 13.965 1.00 1.65 H new ATOM 0 HB3 ARG A 74 -1.326 -9.857 14.646 1.00 1.65 H new ATOM 0 HG2 ARG A 74 1.150 -9.624 13.818 1.00 1.66 H new ATOM 0 HG3 ARG A 74 0.786 -7.913 13.708 1.00 1.66 H new ATOM 0 HD2 ARG A 74 0.007 -7.970 16.103 1.00 1.87 H new ATOM 0 HD3 ARG A 74 0.502 -9.649 16.192 1.00 1.87 H new ATOM 0 HE ARG A 74 2.696 -8.026 15.266 1.00 2.02 H new ATOM 0 HH11 ARG A 74 0.849 -8.916 18.147 1.00 3.05 H new ATOM 0 HH12 ARG A 74 2.168 -8.521 19.254 1.00 3.05 H new ATOM 0 HH21 ARG A 74 4.382 -7.530 16.693 1.00 2.67 H new ATOM 0 HH22 ARG A 74 4.160 -7.739 18.433 1.00 2.67 H new ATOM 1319 N GLY B 55 23.485 -0.967 -10.393 1.00 1.77 N ATOM 1320 CA GLY B 55 22.513 0.038 -10.760 1.00 1.76 C ATOM 1321 C GLY B 55 21.912 0.724 -9.553 1.00 1.40 C ATOM 1322 O GLY B 55 20.997 0.195 -8.926 1.00 1.29 O ATOM 0 HA2 GLY B 55 22.987 0.782 -11.399 1.00 1.76 H new ATOM 0 HA3 GLY B 55 21.718 -0.425 -11.345 1.00 1.76 H new ATOM 1326 N LYS B 56 22.443 1.887 -9.209 1.00 1.43 N ATOM 1327 CA LYS B 56 21.936 2.646 -8.075 1.00 1.15 C ATOM 1328 C LYS B 56 20.996 3.738 -8.562 1.00 1.13 C ATOM 1329 O LYS B 56 21.128 4.220 -9.689 1.00 1.19 O ATOM 1330 CB LYS B 56 23.084 3.274 -7.279 1.00 1.16 C ATOM 1331 CG LYS B 56 23.915 2.279 -6.478 1.00 1.14 C ATOM 1332 CD LYS B 56 23.090 1.574 -5.412 1.00 1.03 C ATOM 1333 CE LYS B 56 23.973 1.008 -4.309 1.00 1.13 C ATOM 1334 NZ LYS B 56 23.249 0.026 -3.455 1.00 1.04 N ATOM 0 H LYS B 56 23.224 2.326 -9.697 1.00 1.43 H new ATOM 0 HA LYS B 56 21.395 1.962 -7.421 1.00 1.15 H new ATOM 0 HB2 LYS B 56 23.740 3.804 -7.969 1.00 1.16 H new ATOM 0 HB3 LYS B 56 22.672 4.017 -6.596 1.00 1.16 H new ATOM 0 HG2 LYS B 56 24.344 1.538 -7.153 1.00 1.14 H new ATOM 0 HG3 LYS B 56 24.748 2.800 -6.006 1.00 1.14 H new ATOM 0 HD2 LYS B 56 22.373 2.274 -4.983 1.00 1.03 H new ATOM 0 HD3 LYS B 56 22.515 0.769 -5.869 1.00 1.03 H new ATOM 0 HE2 LYS B 56 24.844 0.527 -4.754 1.00 1.13 H new ATOM 0 HE3 LYS B 56 24.343 1.824 -3.688 1.00 1.13 H new ATOM 0 HZ1 LYS B 56 23.885 -0.320 -2.708 1.00 1.04 H new ATOM 0 HZ2 LYS B 56 22.423 0.486 -3.021 1.00 1.04 H new ATOM 0 HZ3 LYS B 56 22.933 -0.775 -4.038 1.00 1.04 H new ATOM 1348 N VAL B 57 20.046 4.117 -7.726 1.00 1.12 N ATOM 1349 CA VAL B 57 19.096 5.160 -8.082 1.00 1.13 C ATOM 1350 C VAL B 57 19.379 6.425 -7.285 1.00 1.07 C ATOM 1351 O VAL B 57 19.453 6.395 -6.053 1.00 0.99 O ATOM 1352 CB VAL B 57 17.637 4.717 -7.840 1.00 1.11 C ATOM 1353 CG1 VAL B 57 16.665 5.788 -8.317 1.00 1.23 C ATOM 1354 CG2 VAL B 57 17.354 3.395 -8.540 1.00 1.15 C ATOM 0 H VAL B 57 19.910 3.720 -6.796 1.00 1.12 H new ATOM 0 HA VAL B 57 19.218 5.358 -9.147 1.00 1.13 H new ATOM 0 HB VAL B 57 17.498 4.577 -6.768 1.00 1.11 H new ATOM 0 HG11 VAL B 57 15.642 5.457 -8.138 1.00 1.23 H new ATOM 0 HG12 VAL B 57 16.848 6.714 -7.772 1.00 1.23 H new ATOM 0 HG13 VAL B 57 16.809 5.961 -9.384 1.00 1.23 H new ATOM 0 HG21 VAL B 57 16.321 3.100 -8.357 1.00 1.15 H new ATOM 0 HG22 VAL B 57 17.514 3.509 -9.612 1.00 1.15 H new ATOM 0 HG23 VAL B 57 18.024 2.627 -8.153 1.00 1.15 H new ATOM 1364 N LEU B 58 19.557 7.527 -7.991 1.00 1.14 N ATOM 1365 CA LEU B 58 19.835 8.806 -7.357 1.00 1.13 C ATOM 1366 C LEU B 58 18.553 9.608 -7.157 1.00 1.12 C ATOM 1367 O LEU B 58 17.928 10.054 -8.119 1.00 1.20 O ATOM 1368 CB LEU B 58 20.834 9.606 -8.203 1.00 1.28 C ATOM 1369 CG LEU B 58 21.063 11.059 -7.767 1.00 1.36 C ATOM 1370 CD1 LEU B 58 21.600 11.125 -6.343 1.00 1.29 C ATOM 1371 CD2 LEU B 58 22.020 11.757 -8.723 1.00 1.76 C ATOM 0 H LEU B 58 19.514 7.563 -9.009 1.00 1.14 H new ATOM 0 HA LEU B 58 20.271 8.614 -6.376 1.00 1.13 H new ATOM 0 HB2 LEU B 58 21.792 9.086 -8.188 1.00 1.28 H new ATOM 0 HB3 LEU B 58 20.488 9.607 -9.237 1.00 1.28 H new ATOM 0 HG LEU B 58 20.102 11.573 -7.793 1.00 1.36 H new ATOM 0 HD11 LEU B 58 21.753 12.166 -6.060 1.00 1.29 H new ATOM 0 HD12 LEU B 58 20.883 10.665 -5.662 1.00 1.29 H new ATOM 0 HD13 LEU B 58 22.548 10.590 -6.287 1.00 1.29 H new ATOM 0 HD21 LEU B 58 22.171 12.787 -8.399 1.00 1.76 H new ATOM 0 HD22 LEU B 58 22.976 11.234 -8.727 1.00 1.76 H new ATOM 0 HD23 LEU B 58 21.599 11.751 -9.728 1.00 1.76 H new ATOM 1383 N TYR B 59 18.165 9.773 -5.905 1.00 1.06 N ATOM 1384 CA TYR B 59 16.977 10.534 -5.563 1.00 1.06 C ATOM 1385 C TYR B 59 17.390 11.739 -4.730 1.00 1.09 C ATOM 1386 O TYR B 59 18.193 11.600 -3.807 1.00 1.06 O ATOM 1387 CB TYR B 59 15.960 9.661 -4.803 1.00 0.97 C ATOM 1388 CG TYR B 59 16.277 9.463 -3.334 1.00 0.89 C ATOM 1389 CD1 TYR B 59 17.235 8.544 -2.924 1.00 1.03 C ATOM 1390 CD2 TYR B 59 15.625 10.208 -2.360 1.00 1.03 C ATOM 1391 CE1 TYR B 59 17.537 8.377 -1.588 1.00 1.28 C ATOM 1392 CE2 TYR B 59 15.919 10.045 -1.020 1.00 1.27 C ATOM 1393 CZ TYR B 59 16.876 9.129 -0.639 1.00 1.38 C ATOM 1394 OH TYR B 59 17.180 8.970 0.694 1.00 1.77 O ATOM 0 H TYR B 59 18.661 9.386 -5.102 1.00 1.06 H new ATOM 0 HA TYR B 59 16.489 10.874 -6.477 1.00 1.06 H new ATOM 0 HB2 TYR B 59 14.973 10.115 -4.891 1.00 0.97 H new ATOM 0 HB3 TYR B 59 15.906 8.685 -5.285 1.00 0.97 H new ATOM 0 HD1 TYR B 59 17.752 7.950 -3.663 1.00 1.03 H new ATOM 0 HD2 TYR B 59 14.875 10.927 -2.655 1.00 1.03 H new ATOM 0 HE1 TYR B 59 18.287 7.661 -1.287 1.00 1.28 H new ATOM 0 HE2 TYR B 59 15.402 10.632 -0.275 1.00 1.27 H new ATOM 0 HH TYR B 59 16.626 9.575 1.230 1.00 1.77 H new ATOM 1404 N GLU B 60 16.870 12.915 -5.076 1.00 1.18 N ATOM 1405 CA GLU B 60 17.193 14.151 -4.361 1.00 1.24 C ATOM 1406 C GLU B 60 18.703 14.405 -4.364 1.00 1.34 C ATOM 1407 O GLU B 60 19.236 15.013 -5.293 1.00 1.90 O ATOM 1408 CB GLU B 60 16.673 14.089 -2.925 1.00 1.13 C ATOM 1409 CG GLU B 60 15.161 14.026 -2.820 1.00 1.09 C ATOM 1410 CD GLU B 60 14.561 15.347 -2.406 1.00 1.49 C ATOM 1411 OE1 GLU B 60 15.040 15.937 -1.415 1.00 2.02 O ATOM 1412 OE2 GLU B 60 13.602 15.801 -3.060 1.00 1.66 O ATOM 0 H GLU B 60 16.219 13.039 -5.852 1.00 1.18 H new ATOM 0 HA GLU B 60 16.704 14.977 -4.877 1.00 1.24 H new ATOM 0 HB2 GLU B 60 17.098 13.214 -2.433 1.00 1.13 H new ATOM 0 HB3 GLU B 60 17.029 14.965 -2.382 1.00 1.13 H new ATOM 0 HG2 GLU B 60 14.744 13.725 -3.781 1.00 1.09 H new ATOM 0 HG3 GLU B 60 14.881 13.260 -2.097 1.00 1.09 H new ATOM 1419 N GLY B 61 19.381 13.924 -3.329 1.00 1.27 N ATOM 1420 CA GLY B 61 20.812 14.089 -3.229 1.00 1.32 C ATOM 1421 C GLY B 61 21.477 12.865 -2.639 1.00 1.22 C ATOM 1422 O GLY B 61 22.598 12.935 -2.132 1.00 1.33 O ATOM 0 H GLY B 61 18.957 13.418 -2.552 1.00 1.27 H new ATOM 0 HA2 GLY B 61 21.225 14.287 -4.218 1.00 1.32 H new ATOM 0 HA3 GLY B 61 21.036 14.958 -2.611 1.00 1.32 H new ATOM 1426 N LYS B 62 20.789 11.733 -2.712 1.00 1.08 N ATOM 1427 CA LYS B 62 21.307 10.488 -2.169 1.00 1.02 C ATOM 1428 C LYS B 62 21.102 9.339 -3.152 1.00 1.00 C ATOM 1429 O LYS B 62 20.119 9.312 -3.892 1.00 1.00 O ATOM 1430 CB LYS B 62 20.612 10.172 -0.843 1.00 0.92 C ATOM 1431 CG LYS B 62 21.207 8.985 -0.105 1.00 0.90 C ATOM 1432 CD LYS B 62 20.564 8.802 1.257 1.00 0.94 C ATOM 1433 CE LYS B 62 20.776 10.020 2.140 1.00 1.30 C ATOM 1434 NZ LYS B 62 20.623 9.691 3.577 1.00 1.59 N ATOM 0 H LYS B 62 19.868 11.653 -3.144 1.00 1.08 H new ATOM 0 HA LYS B 62 22.377 10.605 -1.998 1.00 1.02 H new ATOM 0 HB2 LYS B 62 20.662 11.050 -0.199 1.00 0.92 H new ATOM 0 HB3 LYS B 62 19.557 9.977 -1.034 1.00 0.92 H new ATOM 0 HG2 LYS B 62 21.071 8.080 -0.698 1.00 0.90 H new ATOM 0 HG3 LYS B 62 22.281 9.130 0.014 1.00 0.90 H new ATOM 0 HD2 LYS B 62 19.496 8.621 1.135 1.00 0.94 H new ATOM 0 HD3 LYS B 62 20.983 7.921 1.743 1.00 0.94 H new ATOM 0 HE2 LYS B 62 21.772 10.427 1.964 1.00 1.30 H new ATOM 0 HE3 LYS B 62 20.061 10.796 1.867 1.00 1.30 H new ATOM 0 HZ1 LYS B 62 20.775 10.547 4.147 1.00 1.59 H new ATOM 0 HZ2 LYS B 62 19.665 9.326 3.749 1.00 1.59 H new ATOM 0 HZ3 LYS B 62 21.322 8.969 3.844 1.00 1.59 H new ATOM 1448 N GLU B 63 22.037 8.400 -3.156 1.00 1.03 N ATOM 1449 CA GLU B 63 21.962 7.244 -4.035 1.00 1.06 C ATOM 1450 C GLU B 63 21.671 5.986 -3.232 1.00 0.95 C ATOM 1451 O GLU B 63 22.417 5.634 -2.316 1.00 0.93 O ATOM 1452 CB GLU B 63 23.269 7.064 -4.799 1.00 1.22 C ATOM 1453 CG GLU B 63 23.561 8.182 -5.779 1.00 1.48 C ATOM 1454 CD GLU B 63 24.978 8.134 -6.300 1.00 1.64 C ATOM 1455 OE1 GLU B 63 25.252 7.324 -7.208 1.00 2.14 O ATOM 1456 OE2 GLU B 63 25.826 8.899 -5.799 1.00 1.90 O ATOM 0 H GLU B 63 22.861 8.418 -2.556 1.00 1.03 H new ATOM 0 HA GLU B 63 21.154 7.413 -4.746 1.00 1.06 H new ATOM 0 HB2 GLU B 63 24.090 6.995 -4.085 1.00 1.22 H new ATOM 0 HB3 GLU B 63 23.236 6.118 -5.340 1.00 1.22 H new ATOM 0 HG2 GLU B 63 22.866 8.118 -6.616 1.00 1.48 H new ATOM 0 HG3 GLU B 63 23.387 9.142 -5.293 1.00 1.48 H new ATOM 1463 N PHE B 64 20.591 5.313 -3.583 1.00 0.93 N ATOM 1464 CA PHE B 64 20.205 4.085 -2.908 1.00 0.85 C ATOM 1465 C PHE B 64 20.067 2.961 -3.919 1.00 0.91 C ATOM 1466 O PHE B 64 20.245 3.180 -5.116 1.00 1.02 O ATOM 1467 CB PHE B 64 18.894 4.276 -2.147 1.00 0.74 C ATOM 1468 CG PHE B 64 19.056 4.215 -0.654 1.00 0.71 C ATOM 1469 CD1 PHE B 64 19.577 5.292 0.044 1.00 0.79 C ATOM 1470 CD2 PHE B 64 18.684 3.080 0.051 1.00 0.65 C ATOM 1471 CE1 PHE B 64 19.722 5.236 1.417 1.00 0.82 C ATOM 1472 CE2 PHE B 64 18.828 3.024 1.423 1.00 0.68 C ATOM 1473 CZ PHE B 64 19.348 4.103 2.106 1.00 0.77 C ATOM 0 H PHE B 64 19.962 5.596 -4.335 1.00 0.93 H new ATOM 0 HA PHE B 64 20.982 3.824 -2.189 1.00 0.85 H new ATOM 0 HB2 PHE B 64 18.462 5.239 -2.419 1.00 0.74 H new ATOM 0 HB3 PHE B 64 18.186 3.509 -2.460 1.00 0.74 H new ATOM 0 HD1 PHE B 64 19.872 6.183 -0.490 1.00 0.79 H new ATOM 0 HD2 PHE B 64 18.277 2.231 -0.479 1.00 0.65 H new ATOM 0 HE1 PHE B 64 20.129 6.082 1.951 1.00 0.82 H new ATOM 0 HE2 PHE B 64 18.533 2.135 1.961 1.00 0.68 H new ATOM 0 HZ PHE B 64 19.462 4.060 3.179 1.00 0.77 H new ATOM 1483 N ASP B 65 19.775 1.762 -3.433 1.00 0.87 N ATOM 1484 CA ASP B 65 19.613 0.595 -4.295 1.00 0.94 C ATOM 1485 C ASP B 65 18.471 0.821 -5.273 1.00 1.03 C ATOM 1486 O ASP B 65 18.687 1.023 -6.467 1.00 1.18 O ATOM 1487 CB ASP B 65 19.333 -0.664 -3.463 1.00 0.88 C ATOM 1488 CG ASP B 65 20.454 -1.023 -2.511 1.00 0.84 C ATOM 1489 OD1 ASP B 65 21.074 -0.109 -1.925 1.00 1.13 O ATOM 1490 OD2 ASP B 65 20.723 -2.228 -2.336 1.00 1.39 O ATOM 0 H ASP B 65 19.644 1.570 -2.440 1.00 0.87 H new ATOM 0 HA ASP B 65 20.542 0.451 -4.847 1.00 0.94 H new ATOM 0 HB2 ASP B 65 18.416 -0.516 -2.892 1.00 0.88 H new ATOM 0 HB3 ASP B 65 19.157 -1.503 -4.137 1.00 0.88 H new ATOM 1495 N TYR B 66 17.255 0.799 -4.746 1.00 0.99 N ATOM 1496 CA TYR B 66 16.061 1.006 -5.547 1.00 1.12 C ATOM 1497 C TYR B 66 15.093 1.890 -4.785 1.00 0.95 C ATOM 1498 O TYR B 66 15.065 1.869 -3.551 1.00 0.88 O ATOM 1499 CB TYR B 66 15.393 -0.331 -5.888 1.00 1.31 C ATOM 1500 CG TYR B 66 16.170 -1.163 -6.889 1.00 1.57 C ATOM 1501 CD1 TYR B 66 16.205 -0.812 -8.235 1.00 1.79 C ATOM 1502 CD2 TYR B 66 16.872 -2.295 -6.490 1.00 1.64 C ATOM 1503 CE1 TYR B 66 16.915 -1.567 -9.152 1.00 2.05 C ATOM 1504 CE2 TYR B 66 17.583 -3.054 -7.402 1.00 1.89 C ATOM 1505 CZ TYR B 66 17.602 -2.687 -8.729 1.00 2.08 C ATOM 1506 OH TYR B 66 18.311 -3.442 -9.638 1.00 2.34 O ATOM 0 H TYR B 66 17.071 0.638 -3.756 1.00 0.99 H new ATOM 0 HA TYR B 66 16.344 1.491 -6.481 1.00 1.12 H new ATOM 0 HB2 TYR B 66 15.265 -0.907 -4.972 1.00 1.31 H new ATOM 0 HB3 TYR B 66 14.396 -0.138 -6.285 1.00 1.31 H new ATOM 0 HD1 TYR B 66 15.669 0.064 -8.570 1.00 1.79 H new ATOM 0 HD2 TYR B 66 16.862 -2.587 -5.450 1.00 1.64 H new ATOM 0 HE1 TYR B 66 16.932 -1.281 -10.193 1.00 2.05 H new ATOM 0 HE2 TYR B 66 18.121 -3.931 -7.074 1.00 1.89 H new ATOM 0 HH TYR B 66 18.737 -4.194 -9.177 1.00 2.34 H new ATOM 1516 N VAL B 67 14.313 2.677 -5.503 1.00 0.97 N ATOM 1517 CA VAL B 67 13.354 3.563 -4.864 1.00 0.85 C ATOM 1518 C VAL B 67 11.933 3.224 -5.291 1.00 0.86 C ATOM 1519 O VAL B 67 11.689 2.813 -6.428 1.00 1.09 O ATOM 1520 CB VAL B 67 13.638 5.054 -5.162 1.00 0.87 C ATOM 1521 CG1 VAL B 67 15.017 5.460 -4.661 1.00 0.85 C ATOM 1522 CG2 VAL B 67 13.502 5.351 -6.646 1.00 1.05 C ATOM 0 H VAL B 67 14.323 2.722 -6.522 1.00 0.97 H new ATOM 0 HA VAL B 67 13.460 3.408 -3.790 1.00 0.85 H new ATOM 0 HB VAL B 67 12.894 5.644 -4.627 1.00 0.87 H new ATOM 0 HG11 VAL B 67 15.190 6.513 -4.884 1.00 0.85 H new ATOM 0 HG12 VAL B 67 15.073 5.303 -3.584 1.00 0.85 H new ATOM 0 HG13 VAL B 67 15.777 4.855 -5.156 1.00 0.85 H new ATOM 0 HG21 VAL B 67 13.707 6.406 -6.826 1.00 1.05 H new ATOM 0 HG22 VAL B 67 14.213 4.743 -7.205 1.00 1.05 H new ATOM 0 HG23 VAL B 67 12.489 5.118 -6.972 1.00 1.05 H new ATOM 1532 N PHE B 68 11.004 3.376 -4.365 1.00 0.75 N ATOM 1533 CA PHE B 68 9.605 3.110 -4.632 1.00 0.79 C ATOM 1534 C PHE B 68 8.845 4.418 -4.784 1.00 0.81 C ATOM 1535 O PHE B 68 8.711 5.180 -3.824 1.00 0.77 O ATOM 1536 CB PHE B 68 8.992 2.269 -3.510 1.00 0.78 C ATOM 1537 CG PHE B 68 9.468 0.843 -3.487 1.00 1.42 C ATOM 1538 CD1 PHE B 68 8.819 -0.130 -4.233 1.00 1.76 C ATOM 1539 CD2 PHE B 68 10.559 0.475 -2.715 1.00 2.40 C ATOM 1540 CE1 PHE B 68 9.250 -1.441 -4.208 1.00 2.77 C ATOM 1541 CE2 PHE B 68 10.992 -0.839 -2.686 1.00 3.40 C ATOM 1542 CZ PHE B 68 10.338 -1.797 -3.434 1.00 3.53 C ATOM 0 H PHE B 68 11.198 3.686 -3.413 1.00 0.75 H new ATOM 0 HA PHE B 68 9.531 2.547 -5.563 1.00 0.79 H new ATOM 0 HB2 PHE B 68 9.224 2.735 -2.552 1.00 0.78 H new ATOM 0 HB3 PHE B 68 7.907 2.278 -3.614 1.00 0.78 H new ATOM 0 HD1 PHE B 68 7.968 0.141 -4.840 1.00 1.76 H new ATOM 0 HD2 PHE B 68 11.076 1.221 -2.130 1.00 2.40 H new ATOM 0 HE1 PHE B 68 8.737 -2.189 -4.794 1.00 2.77 H new ATOM 0 HE2 PHE B 68 11.841 -1.115 -2.078 1.00 3.40 H new ATOM 0 HZ PHE B 68 10.676 -2.823 -3.414 1.00 3.53 H new ATOM 1552 N SER B 69 8.391 4.690 -5.998 1.00 0.93 N ATOM 1553 CA SER B 69 7.632 5.895 -6.279 1.00 0.99 C ATOM 1554 C SER B 69 6.186 5.703 -5.840 1.00 1.07 C ATOM 1555 O SER B 69 5.415 5.008 -6.502 1.00 1.23 O ATOM 1556 CB SER B 69 7.704 6.220 -7.774 1.00 1.13 C ATOM 1557 OG SER B 69 9.049 6.259 -8.222 1.00 1.37 O ATOM 0 H SER B 69 8.537 4.087 -6.808 1.00 0.93 H new ATOM 0 HA SER B 69 8.058 6.731 -5.724 1.00 0.99 H new ATOM 0 HB2 SER B 69 7.150 5.471 -8.340 1.00 1.13 H new ATOM 0 HB3 SER B 69 7.226 7.181 -7.964 1.00 1.13 H new ATOM 0 HG SER B 69 9.069 6.467 -9.180 1.00 1.37 H new ATOM 1563 N ILE B 70 5.830 6.301 -4.713 1.00 1.01 N ATOM 1564 CA ILE B 70 4.485 6.171 -4.180 1.00 1.12 C ATOM 1565 C ILE B 70 3.791 7.526 -4.086 1.00 1.08 C ATOM 1566 O ILE B 70 4.405 8.530 -3.716 1.00 1.10 O ATOM 1567 CB ILE B 70 4.512 5.503 -2.782 1.00 1.21 C ATOM 1568 CG1 ILE B 70 5.341 4.216 -2.830 1.00 1.41 C ATOM 1569 CG2 ILE B 70 3.102 5.209 -2.294 1.00 1.35 C ATOM 1570 CD1 ILE B 70 5.628 3.622 -1.466 1.00 1.62 C ATOM 0 H ILE B 70 6.454 6.880 -4.151 1.00 1.01 H new ATOM 0 HA ILE B 70 3.922 5.541 -4.868 1.00 1.12 H new ATOM 0 HB ILE B 70 4.975 6.195 -2.079 1.00 1.21 H new ATOM 0 HG12 ILE B 70 4.814 3.478 -3.434 1.00 1.41 H new ATOM 0 HG13 ILE B 70 6.286 4.422 -3.332 1.00 1.41 H new ATOM 0 HG21 ILE B 70 3.148 4.740 -1.311 1.00 1.35 H new ATOM 0 HG22 ILE B 70 2.539 6.140 -2.227 1.00 1.35 H new ATOM 0 HG23 ILE B 70 2.608 4.536 -2.994 1.00 1.35 H new ATOM 0 HD11 ILE B 70 6.219 2.713 -1.582 1.00 1.62 H new ATOM 0 HD12 ILE B 70 6.184 4.342 -0.865 1.00 1.62 H new ATOM 0 HD13 ILE B 70 4.688 3.383 -0.968 1.00 1.62 H new ATOM 1582 N ASP B 71 2.519 7.550 -4.450 1.00 1.20 N ATOM 1583 CA ASP B 71 1.720 8.765 -4.393 1.00 1.30 C ATOM 1584 C ASP B 71 0.805 8.724 -3.175 1.00 1.30 C ATOM 1585 O ASP B 71 0.417 7.649 -2.714 1.00 1.46 O ATOM 1586 CB ASP B 71 0.893 8.932 -5.674 1.00 1.55 C ATOM 1587 CG ASP B 71 -0.186 7.871 -5.831 1.00 1.54 C ATOM 1588 OD1 ASP B 71 0.157 6.678 -5.989 1.00 1.89 O ATOM 1589 OD2 ASP B 71 -1.378 8.224 -5.809 1.00 1.95 O ATOM 0 H ASP B 71 2.013 6.733 -4.792 1.00 1.20 H new ATOM 0 HA ASP B 71 2.391 9.620 -4.308 1.00 1.30 H new ATOM 0 HB2 ASP B 71 0.427 9.918 -5.673 1.00 1.55 H new ATOM 0 HB3 ASP B 71 1.559 8.895 -6.536 1.00 1.55 H new ATOM 1594 N VAL B 72 0.473 9.892 -2.645 1.00 1.31 N ATOM 1595 CA VAL B 72 -0.390 9.972 -1.476 1.00 1.39 C ATOM 1596 C VAL B 72 -1.865 9.900 -1.878 1.00 1.60 C ATOM 1597 O VAL B 72 -2.673 9.256 -1.206 1.00 1.74 O ATOM 1598 CB VAL B 72 -0.115 11.259 -0.659 1.00 1.41 C ATOM 1599 CG1 VAL B 72 -0.219 12.504 -1.532 1.00 1.50 C ATOM 1600 CG2 VAL B 72 -1.054 11.357 0.534 1.00 1.98 C ATOM 0 H VAL B 72 0.787 10.794 -3.004 1.00 1.31 H new ATOM 0 HA VAL B 72 -0.163 9.115 -0.842 1.00 1.39 H new ATOM 0 HB VAL B 72 0.907 11.199 -0.285 1.00 1.41 H new ATOM 0 HG11 VAL B 72 -0.021 13.389 -0.928 1.00 1.50 H new ATOM 0 HG12 VAL B 72 0.511 12.444 -2.339 1.00 1.50 H new ATOM 0 HG13 VAL B 72 -1.222 12.570 -1.954 1.00 1.50 H new ATOM 0 HG21 VAL B 72 -0.840 12.269 1.091 1.00 1.98 H new ATOM 0 HG22 VAL B 72 -2.086 11.379 0.184 1.00 1.98 H new ATOM 0 HG23 VAL B 72 -0.909 10.493 1.183 1.00 1.98 H new ATOM 1610 N ASN B 73 -2.199 10.533 -2.998 1.00 1.74 N ATOM 1611 CA ASN B 73 -3.571 10.558 -3.498 1.00 2.04 C ATOM 1612 C ASN B 73 -3.602 11.266 -4.842 1.00 2.10 C ATOM 1613 O ASN B 73 -4.212 10.792 -5.801 1.00 2.56 O ATOM 1614 CB ASN B 73 -4.507 11.273 -2.511 1.00 2.45 C ATOM 1615 CG ASN B 73 -5.938 10.765 -2.576 1.00 3.02 C ATOM 1616 OD1 ASN B 73 -6.107 9.457 -2.737 1.00 3.36 O flip ATOM 1617 ND2 ASN B 73 -6.886 11.539 -2.459 1.00 3.55 N flip ATOM 0 H ASN B 73 -1.533 11.040 -3.581 1.00 1.74 H new ATOM 0 HA ASN B 73 -3.919 9.531 -3.610 1.00 2.04 H new ATOM 0 HB2 ASN B 73 -4.126 11.142 -1.498 1.00 2.45 H new ATOM 0 HB3 ASN B 73 -4.497 12.343 -2.719 1.00 2.45 H new ATOM 0 HD21 ASN B 73 -6.717 12.537 -2.337 1.00 3.55 H new ATOM 0 HD22 ASN B 73 -7.841 11.183 -2.484 1.00 3.55 H new ATOM 1624 N GLU B 74 -2.922 12.401 -4.896 1.00 2.11 N ATOM 1625 CA GLU B 74 -2.837 13.192 -6.110 1.00 2.37 C ATOM 1626 C GLU B 74 -1.447 13.047 -6.716 1.00 2.06 C ATOM 1627 O GLU B 74 -0.529 12.544 -6.060 1.00 2.44 O ATOM 1628 CB GLU B 74 -3.138 14.660 -5.804 1.00 3.12 C ATOM 1629 CG GLU B 74 -4.507 14.874 -5.178 1.00 3.50 C ATOM 1630 CD GLU B 74 -4.685 16.269 -4.618 1.00 4.28 C ATOM 1631 OE1 GLU B 74 -3.861 16.687 -3.777 1.00 4.76 O ATOM 1632 OE2 GLU B 74 -5.653 16.953 -5.007 1.00 4.70 O ATOM 0 H GLU B 74 -2.417 12.797 -4.103 1.00 2.11 H new ATOM 0 HA GLU B 74 -3.575 12.833 -6.827 1.00 2.37 H new ATOM 0 HB2 GLU B 74 -2.373 15.048 -5.131 1.00 3.12 H new ATOM 0 HB3 GLU B 74 -3.073 15.237 -6.726 1.00 3.12 H new ATOM 0 HG2 GLU B 74 -5.277 14.687 -5.927 1.00 3.50 H new ATOM 0 HG3 GLU B 74 -4.654 14.146 -4.380 1.00 3.50 H new ATOM 1639 N GLY B 75 -1.288 13.504 -7.949 1.00 1.96 N ATOM 1640 CA GLY B 75 -0.007 13.399 -8.624 1.00 1.83 C ATOM 1641 C GLY B 75 0.970 14.482 -8.201 1.00 1.79 C ATOM 1642 O GLY B 75 1.498 15.210 -9.040 1.00 2.16 O ATOM 0 H GLY B 75 -2.025 13.948 -8.497 1.00 1.96 H new ATOM 0 HA2 GLY B 75 0.429 12.422 -8.417 1.00 1.83 H new ATOM 0 HA3 GLY B 75 -0.163 13.457 -9.701 1.00 1.83 H new ATOM 1646 N GLY B 76 1.208 14.593 -6.903 1.00 1.70 N ATOM 1647 CA GLY B 76 2.126 15.590 -6.407 1.00 1.72 C ATOM 1648 C GLY B 76 1.743 16.052 -5.007 1.00 1.64 C ATOM 1649 O GLY B 76 0.582 16.377 -4.762 1.00 1.74 O ATOM 0 H GLY B 76 0.780 14.008 -6.185 1.00 1.70 H new ATOM 0 HA2 GLY B 76 3.136 15.181 -6.393 1.00 1.72 H new ATOM 0 HA3 GLY B 76 2.137 16.445 -7.083 1.00 1.72 H new ATOM 1653 N PRO B 77 2.699 16.071 -4.065 1.00 1.48 N ATOM 1654 CA PRO B 77 4.075 15.646 -4.318 1.00 1.39 C ATOM 1655 C PRO B 77 4.225 14.128 -4.267 1.00 1.29 C ATOM 1656 O PRO B 77 3.495 13.448 -3.543 1.00 1.33 O ATOM 1657 CB PRO B 77 4.855 16.305 -3.182 1.00 1.36 C ATOM 1658 CG PRO B 77 3.880 16.414 -2.057 1.00 1.41 C ATOM 1659 CD PRO B 77 2.506 16.520 -2.676 1.00 1.46 C ATOM 0 HA PRO B 77 4.422 15.931 -5.311 1.00 1.39 H new ATOM 0 HB2 PRO B 77 5.720 15.706 -2.898 1.00 1.36 H new ATOM 0 HB3 PRO B 77 5.229 17.286 -3.477 1.00 1.36 H new ATOM 0 HG2 PRO B 77 3.944 15.543 -1.405 1.00 1.41 H new ATOM 0 HG3 PRO B 77 4.095 17.288 -1.443 1.00 1.41 H new ATOM 0 HD2 PRO B 77 1.784 15.894 -2.152 1.00 1.46 H new ATOM 0 HD3 PRO B 77 2.129 17.542 -2.637 1.00 1.46 H new ATOM 1667 N SER B 78 5.154 13.595 -5.044 1.00 1.25 N ATOM 1668 CA SER B 78 5.388 12.160 -5.071 1.00 1.17 C ATOM 1669 C SER B 78 6.444 11.796 -4.035 1.00 1.05 C ATOM 1670 O SER B 78 7.315 12.609 -3.718 1.00 1.14 O ATOM 1671 CB SER B 78 5.832 11.721 -6.468 1.00 1.28 C ATOM 1672 OG SER B 78 5.043 12.341 -7.474 1.00 1.47 O ATOM 0 H SER B 78 5.758 14.134 -5.664 1.00 1.25 H new ATOM 0 HA SER B 78 4.461 11.640 -4.829 1.00 1.17 H new ATOM 0 HB2 SER B 78 6.881 11.976 -6.616 1.00 1.28 H new ATOM 0 HB3 SER B 78 5.752 10.637 -6.555 1.00 1.28 H new ATOM 0 HG SER B 78 5.348 12.045 -8.357 1.00 1.47 H new ATOM 1678 N TYR B 79 6.364 10.593 -3.494 1.00 1.02 N ATOM 1679 CA TYR B 79 7.314 10.158 -2.485 1.00 0.93 C ATOM 1680 C TYR B 79 8.225 9.064 -3.023 1.00 0.87 C ATOM 1681 O TYR B 79 7.763 8.100 -3.633 1.00 0.85 O ATOM 1682 CB TYR B 79 6.573 9.668 -1.242 1.00 0.93 C ATOM 1683 CG TYR B 79 5.801 10.759 -0.541 1.00 1.00 C ATOM 1684 CD1 TYR B 79 6.431 11.613 0.355 1.00 1.15 C ATOM 1685 CD2 TYR B 79 4.446 10.941 -0.781 1.00 1.06 C ATOM 1686 CE1 TYR B 79 5.729 12.616 0.992 1.00 1.26 C ATOM 1687 CE2 TYR B 79 3.739 11.944 -0.148 1.00 1.15 C ATOM 1688 CZ TYR B 79 4.385 12.777 0.737 1.00 1.22 C ATOM 1689 OH TYR B 79 3.682 13.779 1.368 1.00 1.35 O ATOM 0 H TYR B 79 5.654 9.902 -3.735 1.00 1.02 H new ATOM 0 HA TYR B 79 7.937 11.011 -2.215 1.00 0.93 H new ATOM 0 HB2 TYR B 79 5.886 8.871 -1.527 1.00 0.93 H new ATOM 0 HB3 TYR B 79 7.291 9.235 -0.546 1.00 0.93 H new ATOM 0 HD1 TYR B 79 7.485 11.490 0.556 1.00 1.15 H new ATOM 0 HD2 TYR B 79 3.937 10.288 -1.474 1.00 1.06 H new ATOM 0 HE1 TYR B 79 6.231 13.272 1.688 1.00 1.26 H new ATOM 0 HE2 TYR B 79 2.685 12.074 -0.346 1.00 1.15 H new ATOM 0 HH TYR B 79 2.747 13.756 1.076 1.00 1.35 H new ATOM 1699 N LYS B 80 9.522 9.236 -2.807 1.00 0.87 N ATOM 1700 CA LYS B 80 10.512 8.269 -3.254 1.00 0.83 C ATOM 1701 C LYS B 80 11.086 7.515 -2.059 1.00 0.77 C ATOM 1702 O LYS B 80 11.908 8.053 -1.317 1.00 0.81 O ATOM 1703 CB LYS B 80 11.645 8.967 -4.013 1.00 0.87 C ATOM 1704 CG LYS B 80 11.275 9.417 -5.419 1.00 0.99 C ATOM 1705 CD LYS B 80 10.993 8.230 -6.327 1.00 1.08 C ATOM 1706 CE LYS B 80 11.348 8.530 -7.778 1.00 1.41 C ATOM 1707 NZ LYS B 80 10.628 9.720 -8.298 1.00 2.14 N ATOM 0 H LYS B 80 9.914 10.043 -2.321 1.00 0.87 H new ATOM 0 HA LYS B 80 10.022 7.564 -3.925 1.00 0.83 H new ATOM 0 HB2 LYS B 80 11.969 9.836 -3.440 1.00 0.87 H new ATOM 0 HB3 LYS B 80 12.497 8.290 -4.074 1.00 0.87 H new ATOM 0 HG2 LYS B 80 10.397 10.061 -5.377 1.00 0.99 H new ATOM 0 HG3 LYS B 80 12.087 10.012 -5.837 1.00 0.99 H new ATOM 0 HD2 LYS B 80 11.564 7.367 -5.984 1.00 1.08 H new ATOM 0 HD3 LYS B 80 9.939 7.963 -6.259 1.00 1.08 H new ATOM 0 HE2 LYS B 80 12.423 8.693 -7.861 1.00 1.41 H new ATOM 0 HE3 LYS B 80 11.108 7.664 -8.395 1.00 1.41 H new ATOM 0 HZ1 LYS B 80 10.794 9.807 -9.321 1.00 2.14 H new ATOM 0 HZ2 LYS B 80 9.609 9.614 -8.120 1.00 2.14 H new ATOM 0 HZ3 LYS B 80 10.976 10.574 -7.817 1.00 2.14 H new ATOM 1721 N LEU B 81 10.634 6.283 -1.869 1.00 0.70 N ATOM 1722 CA LEU B 81 11.105 5.456 -0.764 1.00 0.67 C ATOM 1723 C LEU B 81 12.381 4.719 -1.162 1.00 0.63 C ATOM 1724 O LEU B 81 12.359 3.862 -2.039 1.00 0.60 O ATOM 1725 CB LEU B 81 10.021 4.448 -0.361 1.00 0.66 C ATOM 1726 CG LEU B 81 10.083 3.949 1.088 1.00 0.75 C ATOM 1727 CD1 LEU B 81 8.722 3.439 1.533 1.00 0.87 C ATOM 1728 CD2 LEU B 81 11.129 2.854 1.239 1.00 1.13 C ATOM 0 H LEU B 81 9.941 5.833 -2.466 1.00 0.70 H new ATOM 0 HA LEU B 81 11.323 6.101 0.087 1.00 0.67 H new ATOM 0 HB2 LEU B 81 9.046 4.905 -0.527 1.00 0.66 H new ATOM 0 HB3 LEU B 81 10.086 3.587 -1.026 1.00 0.66 H new ATOM 0 HG LEU B 81 10.369 4.788 1.723 1.00 0.75 H new ATOM 0 HD11 LEU B 81 8.784 3.089 2.563 1.00 0.87 H new ATOM 0 HD12 LEU B 81 7.992 4.246 1.467 1.00 0.87 H new ATOM 0 HD13 LEU B 81 8.413 2.616 0.888 1.00 0.87 H new ATOM 0 HD21 LEU B 81 11.155 2.516 2.275 1.00 1.13 H new ATOM 0 HD22 LEU B 81 10.875 2.016 0.590 1.00 1.13 H new ATOM 0 HD23 LEU B 81 12.108 3.245 0.960 1.00 1.13 H new ATOM 1740 N PRO B 82 13.509 5.049 -0.524 1.00 0.68 N ATOM 1741 CA PRO B 82 14.793 4.421 -0.812 1.00 0.70 C ATOM 1742 C PRO B 82 14.991 3.121 -0.031 1.00 0.69 C ATOM 1743 O PRO B 82 15.025 3.121 1.198 1.00 0.73 O ATOM 1744 CB PRO B 82 15.790 5.486 -0.364 1.00 0.77 C ATOM 1745 CG PRO B 82 15.111 6.199 0.762 1.00 0.78 C ATOM 1746 CD PRO B 82 13.625 6.068 0.534 1.00 0.77 C ATOM 0 HA PRO B 82 14.895 4.130 -1.858 1.00 0.70 H new ATOM 0 HB2 PRO B 82 16.728 5.037 -0.039 1.00 0.77 H new ATOM 0 HB3 PRO B 82 16.029 6.170 -1.178 1.00 0.77 H new ATOM 0 HG2 PRO B 82 15.394 5.764 1.721 1.00 0.78 H new ATOM 0 HG3 PRO B 82 15.406 7.248 0.788 1.00 0.78 H new ATOM 0 HD2 PRO B 82 13.109 5.759 1.443 1.00 0.77 H new ATOM 0 HD3 PRO B 82 13.185 7.016 0.224 1.00 0.77 H new ATOM 1754 N TYR B 83 15.131 2.016 -0.748 1.00 0.69 N ATOM 1755 CA TYR B 83 15.311 0.717 -0.114 1.00 0.70 C ATOM 1756 C TYR B 83 16.694 0.144 -0.403 1.00 0.74 C ATOM 1757 O TYR B 83 17.226 0.303 -1.502 1.00 0.78 O ATOM 1758 CB TYR B 83 14.228 -0.258 -0.594 1.00 0.75 C ATOM 1759 CG TYR B 83 14.457 -1.697 -0.173 1.00 0.80 C ATOM 1760 CD1 TYR B 83 14.446 -2.063 1.169 1.00 0.82 C ATOM 1761 CD2 TYR B 83 14.681 -2.690 -1.119 1.00 0.87 C ATOM 1762 CE1 TYR B 83 14.653 -3.373 1.555 1.00 0.89 C ATOM 1763 CE2 TYR B 83 14.889 -4.003 -0.739 1.00 0.93 C ATOM 1764 CZ TYR B 83 14.874 -4.340 0.599 1.00 0.94 C ATOM 1765 OH TYR B 83 15.078 -5.647 0.977 1.00 1.02 O ATOM 0 H TYR B 83 15.124 1.992 -1.768 1.00 0.69 H new ATOM 0 HA TYR B 83 15.222 0.854 0.964 1.00 0.70 H new ATOM 0 HB2 TYR B 83 13.262 0.072 -0.211 1.00 0.75 H new ATOM 0 HB3 TYR B 83 14.171 -0.214 -1.682 1.00 0.75 H new ATOM 0 HD1 TYR B 83 14.272 -1.309 1.923 1.00 0.82 H new ATOM 0 HD2 TYR B 83 14.693 -2.432 -2.168 1.00 0.87 H new ATOM 0 HE1 TYR B 83 14.642 -3.638 2.602 1.00 0.89 H new ATOM 0 HE2 TYR B 83 15.063 -4.762 -1.487 1.00 0.93 H new ATOM 0 HH TYR B 83 15.402 -5.673 1.902 1.00 1.02 H new ATOM 1775 N ASN B 84 17.269 -0.509 0.600 1.00 0.76 N ATOM 1776 CA ASN B 84 18.574 -1.138 0.472 1.00 0.84 C ATOM 1777 C ASN B 84 18.407 -2.652 0.529 1.00 0.93 C ATOM 1778 O ASN B 84 17.713 -3.169 1.403 1.00 0.95 O ATOM 1779 CB ASN B 84 19.515 -0.659 1.584 1.00 0.86 C ATOM 1780 CG ASN B 84 20.827 -1.423 1.618 1.00 1.63 C ATOM 1781 OD1 ASN B 84 21.157 -2.074 2.610 1.00 2.01 O ATOM 1782 ND2 ASN B 84 21.589 -1.345 0.538 1.00 2.53 N ATOM 0 H ASN B 84 16.844 -0.616 1.521 1.00 0.76 H new ATOM 0 HA ASN B 84 19.016 -0.859 -0.484 1.00 0.84 H new ATOM 0 HB2 ASN B 84 19.722 0.402 1.446 1.00 0.86 H new ATOM 0 HB3 ASN B 84 19.014 -0.764 2.547 1.00 0.86 H new ATOM 0 HD21 ASN B 84 22.483 -1.834 0.509 1.00 2.53 H new ATOM 0 HD22 ASN B 84 21.282 -0.796 -0.265 1.00 2.53 H new ATOM 1789 N THR B 85 19.042 -3.356 -0.399 1.00 1.07 N ATOM 1790 CA THR B 85 18.939 -4.813 -0.477 1.00 1.20 C ATOM 1791 C THR B 85 19.320 -5.503 0.832 1.00 1.16 C ATOM 1792 O THR B 85 18.734 -6.522 1.197 1.00 1.39 O ATOM 1793 CB THR B 85 19.819 -5.366 -1.618 1.00 1.34 C ATOM 1794 OG1 THR B 85 21.079 -4.679 -1.648 1.00 1.53 O ATOM 1795 CG2 THR B 85 19.121 -5.216 -2.961 1.00 1.79 C ATOM 0 H THR B 85 19.639 -2.941 -1.114 1.00 1.07 H new ATOM 0 HA THR B 85 17.890 -5.032 -0.678 1.00 1.20 H new ATOM 0 HB THR B 85 19.990 -6.426 -1.431 1.00 1.34 H new ATOM 0 HG1 THR B 85 20.987 -3.849 -2.160 1.00 1.53 H new ATOM 0 HG21 THR B 85 19.760 -5.613 -3.750 1.00 1.79 H new ATOM 0 HG22 THR B 85 18.180 -5.766 -2.946 1.00 1.79 H new ATOM 0 HG23 THR B 85 18.922 -4.161 -3.152 1.00 1.79 H new ATOM 1803 N SER B 86 20.278 -4.936 1.548 1.00 1.23 N ATOM 1804 CA SER B 86 20.737 -5.518 2.800 1.00 1.24 C ATOM 1805 C SER B 86 19.981 -4.960 4.009 1.00 1.22 C ATOM 1806 O SER B 86 20.475 -5.012 5.136 1.00 1.43 O ATOM 1807 CB SER B 86 22.235 -5.269 2.953 1.00 1.53 C ATOM 1808 OG SER B 86 22.924 -5.573 1.748 1.00 1.95 O ATOM 0 H SER B 86 20.753 -4.073 1.284 1.00 1.23 H new ATOM 0 HA SER B 86 20.538 -6.589 2.766 1.00 1.24 H new ATOM 0 HB2 SER B 86 22.409 -4.228 3.224 1.00 1.53 H new ATOM 0 HB3 SER B 86 22.628 -5.880 3.766 1.00 1.53 H new ATOM 0 HG SER B 86 23.882 -5.405 1.868 1.00 1.95 H new ATOM 1814 N ASP B 87 18.791 -4.420 3.779 1.00 1.20 N ATOM 1815 CA ASP B 87 17.979 -3.878 4.864 1.00 1.43 C ATOM 1816 C ASP B 87 16.647 -4.614 4.941 1.00 1.19 C ATOM 1817 O ASP B 87 16.209 -5.230 3.965 1.00 1.33 O ATOM 1818 CB ASP B 87 17.743 -2.373 4.688 1.00 1.99 C ATOM 1819 CG ASP B 87 17.257 -1.712 5.967 1.00 2.54 C ATOM 1820 OD1 ASP B 87 17.633 -2.184 7.062 1.00 2.92 O ATOM 1821 OD2 ASP B 87 16.510 -0.710 5.882 1.00 2.97 O ATOM 0 H ASP B 87 18.367 -4.345 2.855 1.00 1.20 H new ATOM 0 HA ASP B 87 18.524 -4.025 5.797 1.00 1.43 H new ATOM 0 HB2 ASP B 87 18.669 -1.898 4.365 1.00 1.99 H new ATOM 0 HB3 ASP B 87 17.010 -2.212 3.897 1.00 1.99 H new ATOM 1826 N ASP B 88 16.020 -4.562 6.103 1.00 1.18 N ATOM 1827 CA ASP B 88 14.742 -5.229 6.321 1.00 1.09 C ATOM 1828 C ASP B 88 13.595 -4.331 5.866 1.00 0.98 C ATOM 1829 O ASP B 88 13.610 -3.132 6.134 1.00 0.95 O ATOM 1830 CB ASP B 88 14.582 -5.584 7.802 1.00 1.31 C ATOM 1831 CG ASP B 88 13.277 -6.294 8.112 1.00 1.86 C ATOM 1832 OD1 ASP B 88 13.145 -7.487 7.773 1.00 2.55 O ATOM 1833 OD2 ASP B 88 12.391 -5.667 8.727 1.00 2.12 O ATOM 0 H ASP B 88 16.376 -4.062 6.918 1.00 1.18 H new ATOM 0 HA ASP B 88 14.719 -6.148 5.735 1.00 1.09 H new ATOM 0 HB2 ASP B 88 15.414 -6.218 8.108 1.00 1.31 H new ATOM 0 HB3 ASP B 88 14.641 -4.672 8.396 1.00 1.31 H new ATOM 1838 N PRO B 89 12.593 -4.900 5.167 1.00 0.95 N ATOM 1839 CA PRO B 89 11.436 -4.152 4.652 1.00 0.90 C ATOM 1840 C PRO B 89 10.789 -3.234 5.689 1.00 0.89 C ATOM 1841 O PRO B 89 10.453 -2.085 5.391 1.00 0.85 O ATOM 1842 CB PRO B 89 10.445 -5.249 4.224 1.00 0.96 C ATOM 1843 CG PRO B 89 11.015 -6.534 4.730 1.00 0.79 C ATOM 1844 CD PRO B 89 12.496 -6.322 4.817 1.00 1.00 C ATOM 0 HA PRO B 89 11.738 -3.484 3.845 1.00 0.90 H new ATOM 0 HB2 PRO B 89 9.456 -5.068 4.645 1.00 0.96 H new ATOM 0 HB3 PRO B 89 10.331 -5.272 3.140 1.00 0.96 H new ATOM 0 HG2 PRO B 89 10.599 -6.788 5.705 1.00 0.79 H new ATOM 0 HG3 PRO B 89 10.777 -7.358 4.057 1.00 0.79 H new ATOM 0 HD2 PRO B 89 12.953 -6.959 5.575 1.00 1.00 H new ATOM 0 HD3 PRO B 89 12.994 -6.542 3.873 1.00 1.00 H new ATOM 1852 N TRP B 90 10.630 -3.728 6.912 1.00 0.97 N ATOM 1853 CA TRP B 90 10.014 -2.935 7.968 1.00 1.01 C ATOM 1854 C TRP B 90 10.959 -1.843 8.448 1.00 0.99 C ATOM 1855 O TRP B 90 10.525 -0.734 8.760 1.00 0.96 O ATOM 1856 CB TRP B 90 9.588 -3.820 9.139 1.00 1.13 C ATOM 1857 CG TRP B 90 8.277 -4.508 8.906 1.00 1.32 C ATOM 1858 CD1 TRP B 90 7.029 -3.962 9.020 1.00 1.47 C ATOM 1859 CD2 TRP B 90 8.082 -5.872 8.514 1.00 2.16 C ATOM 1860 NE1 TRP B 90 6.073 -4.902 8.721 1.00 2.14 N ATOM 1861 CE2 TRP B 90 6.694 -6.083 8.410 1.00 2.56 C ATOM 1862 CE3 TRP B 90 8.947 -6.937 8.242 1.00 2.87 C ATOM 1863 CZ2 TRP B 90 6.153 -7.314 8.051 1.00 3.50 C ATOM 1864 CZ3 TRP B 90 8.408 -8.156 7.882 1.00 3.79 C ATOM 1865 CH2 TRP B 90 7.023 -8.335 7.788 1.00 4.06 C ATOM 0 H TRP B 90 10.916 -4.665 7.195 1.00 0.97 H new ATOM 0 HA TRP B 90 9.124 -2.463 7.553 1.00 1.01 H new ATOM 0 HB2 TRP B 90 10.358 -4.570 9.320 1.00 1.13 H new ATOM 0 HB3 TRP B 90 9.518 -3.211 10.041 1.00 1.13 H new ATOM 0 HD1 TRP B 90 6.824 -2.940 9.304 1.00 1.47 H new ATOM 0 HE1 TRP B 90 5.065 -4.746 8.729 1.00 2.14 H new ATOM 0 HE3 TRP B 90 10.017 -6.808 8.312 1.00 2.87 H new ATOM 0 HZ2 TRP B 90 5.085 -7.457 7.983 1.00 3.50 H new ATOM 0 HZ3 TRP B 90 9.066 -8.985 7.669 1.00 3.79 H new ATOM 0 HH2 TRP B 90 6.633 -9.301 7.501 1.00 4.06 H new ATOM 1876 N LEU B 91 12.249 -2.148 8.493 1.00 1.03 N ATOM 1877 CA LEU B 91 13.244 -1.176 8.927 1.00 1.05 C ATOM 1878 C LEU B 91 13.347 -0.039 7.921 1.00 0.97 C ATOM 1879 O LEU B 91 13.469 1.127 8.300 1.00 0.99 O ATOM 1880 CB LEU B 91 14.612 -1.828 9.114 1.00 1.14 C ATOM 1881 CG LEU B 91 14.741 -2.738 10.335 1.00 1.32 C ATOM 1882 CD1 LEU B 91 16.156 -3.278 10.442 1.00 1.39 C ATOM 1883 CD2 LEU B 91 14.360 -1.992 11.607 1.00 1.43 C ATOM 0 H LEU B 91 12.630 -3.058 8.235 1.00 1.03 H new ATOM 0 HA LEU B 91 12.921 -0.777 9.889 1.00 1.05 H new ATOM 0 HB2 LEU B 91 14.844 -2.410 8.222 1.00 1.14 H new ATOM 0 HB3 LEU B 91 15.364 -1.042 9.186 1.00 1.14 H new ATOM 0 HG LEU B 91 14.055 -3.576 10.212 1.00 1.32 H new ATOM 0 HD11 LEU B 91 16.234 -3.925 11.316 1.00 1.39 H new ATOM 0 HD12 LEU B 91 16.396 -3.850 9.545 1.00 1.39 H new ATOM 0 HD13 LEU B 91 16.856 -2.448 10.541 1.00 1.39 H new ATOM 0 HD21 LEU B 91 14.459 -2.659 12.463 1.00 1.43 H new ATOM 0 HD22 LEU B 91 15.019 -1.134 11.737 1.00 1.43 H new ATOM 0 HD23 LEU B 91 13.328 -1.649 11.532 1.00 1.43 H new ATOM 1895 N THR B 92 13.306 -0.381 6.642 1.00 0.92 N ATOM 1896 CA THR B 92 13.373 0.615 5.587 1.00 0.88 C ATOM 1897 C THR B 92 12.142 1.516 5.645 1.00 0.81 C ATOM 1898 O THR B 92 12.246 2.741 5.556 1.00 0.82 O ATOM 1899 CB THR B 92 13.461 -0.048 4.203 1.00 0.92 C ATOM 1900 OG1 THR B 92 14.461 -1.075 4.213 1.00 0.97 O ATOM 1901 CG2 THR B 92 13.793 0.981 3.136 1.00 1.06 C ATOM 0 H THR B 92 13.227 -1.342 6.311 1.00 0.92 H new ATOM 0 HA THR B 92 14.273 1.211 5.741 1.00 0.88 H new ATOM 0 HB THR B 92 12.492 -0.491 3.972 1.00 0.92 H new ATOM 0 HG1 THR B 92 15.272 -0.738 4.647 1.00 0.97 H new ATOM 0 HG21 THR B 92 13.851 0.491 2.164 1.00 1.06 H new ATOM 0 HG22 THR B 92 13.015 1.744 3.112 1.00 1.06 H new ATOM 0 HG23 THR B 92 14.752 1.447 3.365 1.00 1.06 H new ATOM 1909 N ALA B 93 10.976 0.894 5.811 1.00 0.79 N ATOM 1910 CA ALA B 93 9.722 1.627 5.902 1.00 0.79 C ATOM 1911 C ALA B 93 9.727 2.520 7.132 1.00 0.84 C ATOM 1912 O ALA B 93 9.296 3.670 7.078 1.00 0.84 O ATOM 1913 CB ALA B 93 8.550 0.662 5.957 1.00 0.82 C ATOM 0 H ALA B 93 10.877 -0.119 5.885 1.00 0.79 H new ATOM 0 HA ALA B 93 9.616 2.252 5.015 1.00 0.79 H new ATOM 0 HB1 ALA B 93 7.619 1.224 6.025 1.00 0.82 H new ATOM 0 HB2 ALA B 93 8.540 0.050 5.055 1.00 0.82 H new ATOM 0 HB3 ALA B 93 8.650 0.018 6.831 1.00 0.82 H new ATOM 1919 N TYR B 94 10.231 1.981 8.236 1.00 0.93 N ATOM 1920 CA TYR B 94 10.312 2.718 9.489 1.00 1.04 C ATOM 1921 C TYR B 94 11.235 3.923 9.345 1.00 1.05 C ATOM 1922 O TYR B 94 10.942 5.004 9.853 1.00 1.10 O ATOM 1923 CB TYR B 94 10.808 1.804 10.608 1.00 1.17 C ATOM 1924 CG TYR B 94 10.736 2.432 11.979 1.00 1.28 C ATOM 1925 CD1 TYR B 94 9.519 2.589 12.630 1.00 1.35 C ATOM 1926 CD2 TYR B 94 11.885 2.864 12.621 1.00 1.44 C ATOM 1927 CE1 TYR B 94 9.452 3.164 13.883 1.00 1.50 C ATOM 1928 CE2 TYR B 94 11.827 3.439 13.875 1.00 1.57 C ATOM 1929 CZ TYR B 94 10.610 3.586 14.502 1.00 1.57 C ATOM 1930 OH TYR B 94 10.549 4.156 15.753 1.00 1.76 O ATOM 0 H TYR B 94 10.592 1.028 8.287 1.00 0.93 H new ATOM 0 HA TYR B 94 9.314 3.076 9.743 1.00 1.04 H new ATOM 0 HB2 TYR B 94 10.217 0.888 10.606 1.00 1.17 H new ATOM 0 HB3 TYR B 94 11.840 1.519 10.402 1.00 1.17 H new ATOM 0 HD1 TYR B 94 8.611 2.256 12.148 1.00 1.35 H new ATOM 0 HD2 TYR B 94 12.842 2.749 12.133 1.00 1.44 H new ATOM 0 HE1 TYR B 94 8.498 3.283 14.376 1.00 1.50 H new ATOM 0 HE2 TYR B 94 12.732 3.772 14.362 1.00 1.57 H new ATOM 0 HH TYR B 94 11.452 4.397 16.047 1.00 1.76 H new ATOM 1940 N ASN B 95 12.345 3.736 8.640 1.00 1.03 N ATOM 1941 CA ASN B 95 13.302 4.815 8.424 1.00 1.08 C ATOM 1942 C ASN B 95 12.659 5.926 7.604 1.00 1.04 C ATOM 1943 O ASN B 95 12.823 7.109 7.900 1.00 1.12 O ATOM 1944 CB ASN B 95 14.555 4.297 7.714 1.00 1.08 C ATOM 1945 CG ASN B 95 15.788 5.122 8.033 1.00 1.09 C ATOM 1946 OD1 ASN B 95 15.694 6.300 8.380 1.00 1.22 O ATOM 1947 ND2 ASN B 95 16.954 4.507 7.918 1.00 1.47 N ATOM 0 H ASN B 95 12.604 2.849 8.209 1.00 1.03 H new ATOM 0 HA ASN B 95 13.597 5.212 9.395 1.00 1.08 H new ATOM 0 HB2 ASN B 95 14.730 3.261 8.004 1.00 1.08 H new ATOM 0 HB3 ASN B 95 14.387 4.303 6.637 1.00 1.08 H new ATOM 0 HD21 ASN B 95 17.818 5.010 8.120 1.00 1.47 H new ATOM 0 HD22 ASN B 95 16.989 3.530 7.628 1.00 1.47 H new ATOM 1954 N PHE B 96 11.909 5.540 6.582 1.00 0.93 N ATOM 1955 CA PHE B 96 11.224 6.510 5.737 1.00 0.91 C ATOM 1956 C PHE B 96 10.104 7.188 6.526 1.00 0.91 C ATOM 1957 O PHE B 96 9.828 8.379 6.349 1.00 0.92 O ATOM 1958 CB PHE B 96 10.658 5.828 4.488 1.00 0.88 C ATOM 1959 CG PHE B 96 10.092 6.792 3.477 1.00 0.97 C ATOM 1960 CD1 PHE B 96 10.934 7.569 2.699 1.00 1.16 C ATOM 1961 CD2 PHE B 96 8.723 6.922 3.313 1.00 0.99 C ATOM 1962 CE1 PHE B 96 10.420 8.458 1.774 1.00 1.32 C ATOM 1963 CE2 PHE B 96 8.203 7.811 2.391 1.00 1.19 C ATOM 1964 CZ PHE B 96 9.055 8.578 1.621 1.00 1.33 C ATOM 0 H PHE B 96 11.759 4.566 6.318 1.00 0.93 H new ATOM 0 HA PHE B 96 11.941 7.267 5.419 1.00 0.91 H new ATOM 0 HB2 PHE B 96 11.446 5.241 4.016 1.00 0.88 H new ATOM 0 HB3 PHE B 96 9.877 5.130 4.788 1.00 0.88 H new ATOM 0 HD1 PHE B 96 12.004 7.479 2.816 1.00 1.16 H new ATOM 0 HD2 PHE B 96 8.054 6.322 3.912 1.00 0.99 H new ATOM 0 HE1 PHE B 96 11.087 9.058 1.172 1.00 1.32 H new ATOM 0 HE2 PHE B 96 7.134 7.905 2.273 1.00 1.19 H new ATOM 0 HZ PHE B 96 8.652 9.272 0.899 1.00 1.33 H new ATOM 1974 N LEU B 97 9.481 6.417 7.411 1.00 0.93 N ATOM 1975 CA LEU B 97 8.392 6.904 8.249 1.00 1.00 C ATOM 1976 C LEU B 97 8.855 8.058 9.129 1.00 1.09 C ATOM 1977 O LEU B 97 8.198 9.093 9.201 1.00 1.10 O ATOM 1978 CB LEU B 97 7.853 5.766 9.122 1.00 1.06 C ATOM 1979 CG LEU B 97 6.412 5.938 9.600 1.00 1.28 C ATOM 1980 CD1 LEU B 97 5.432 5.565 8.497 1.00 1.30 C ATOM 1981 CD2 LEU B 97 6.162 5.093 10.841 1.00 1.48 C ATOM 0 H LEU B 97 9.717 5.437 7.567 1.00 0.93 H new ATOM 0 HA LEU B 97 7.597 7.267 7.598 1.00 1.00 H new ATOM 0 HB2 LEU B 97 7.924 4.834 8.561 1.00 1.06 H new ATOM 0 HB3 LEU B 97 8.498 5.662 9.994 1.00 1.06 H new ATOM 0 HG LEU B 97 6.257 6.986 9.855 1.00 1.28 H new ATOM 0 HD11 LEU B 97 4.412 5.694 8.858 1.00 1.30 H new ATOM 0 HD12 LEU B 97 5.595 6.208 7.632 1.00 1.30 H new ATOM 0 HD13 LEU B 97 5.586 4.525 8.210 1.00 1.30 H new ATOM 0 HD21 LEU B 97 5.131 5.226 11.170 1.00 1.48 H new ATOM 0 HD22 LEU B 97 6.336 4.043 10.607 1.00 1.48 H new ATOM 0 HD23 LEU B 97 6.840 5.405 11.636 1.00 1.48 H new ATOM 1993 N GLN B 98 9.991 7.880 9.790 1.00 1.19 N ATOM 1994 CA GLN B 98 10.538 8.914 10.664 1.00 1.31 C ATOM 1995 C GLN B 98 11.162 10.043 9.843 1.00 1.30 C ATOM 1996 O GLN B 98 11.154 11.203 10.252 1.00 1.39 O ATOM 1997 CB GLN B 98 11.578 8.321 11.623 1.00 1.43 C ATOM 1998 CG GLN B 98 12.631 7.469 10.935 1.00 2.02 C ATOM 1999 CD GLN B 98 13.895 7.310 11.754 1.00 2.69 C ATOM 2000 OE1 GLN B 98 13.859 7.284 12.986 1.00 2.73 O ATOM 2001 NE2 GLN B 98 15.025 7.195 11.072 1.00 3.60 N ATOM 0 H GLN B 98 10.553 7.030 9.739 1.00 1.19 H new ATOM 0 HA GLN B 98 9.718 9.325 11.252 1.00 1.31 H new ATOM 0 HB2 GLN B 98 12.072 9.133 12.155 1.00 1.43 H new ATOM 0 HB3 GLN B 98 11.066 7.715 12.371 1.00 1.43 H new ATOM 0 HG2 GLN B 98 12.214 6.484 10.727 1.00 2.02 H new ATOM 0 HG3 GLN B 98 12.882 7.918 9.974 1.00 2.02 H new ATOM 0 HE21 GLN B 98 15.010 7.222 10.052 1.00 3.60 H new ATOM 0 HE22 GLN B 98 15.910 7.080 11.566 1.00 3.60 H new ATOM 2010 N LYS B 99 11.693 9.691 8.678 1.00 1.21 N ATOM 2011 CA LYS B 99 12.327 10.660 7.792 1.00 1.23 C ATOM 2012 C LYS B 99 11.332 11.723 7.327 1.00 1.18 C ATOM 2013 O LYS B 99 11.591 12.922 7.435 1.00 1.22 O ATOM 2014 CB LYS B 99 12.923 9.946 6.575 1.00 1.19 C ATOM 2015 CG LYS B 99 13.455 10.886 5.502 1.00 1.18 C ATOM 2016 CD LYS B 99 13.615 10.173 4.167 1.00 1.26 C ATOM 2017 CE LYS B 99 13.901 11.148 3.035 1.00 1.39 C ATOM 2018 NZ LYS B 99 12.828 12.168 2.886 1.00 1.59 N ATOM 0 H LYS B 99 11.697 8.735 8.323 1.00 1.21 H new ATOM 0 HA LYS B 99 13.120 11.156 8.351 1.00 1.23 H new ATOM 0 HB2 LYS B 99 13.733 9.297 6.908 1.00 1.19 H new ATOM 0 HB3 LYS B 99 12.160 9.304 6.135 1.00 1.19 H new ATOM 0 HG2 LYS B 99 12.775 11.730 5.386 1.00 1.18 H new ATOM 0 HG3 LYS B 99 14.416 11.292 5.816 1.00 1.18 H new ATOM 0 HD2 LYS B 99 14.427 9.449 4.237 1.00 1.26 H new ATOM 0 HD3 LYS B 99 12.707 9.613 3.943 1.00 1.26 H new ATOM 0 HE2 LYS B 99 14.852 11.648 3.220 1.00 1.39 H new ATOM 0 HE3 LYS B 99 14.007 10.596 2.101 1.00 1.39 H new ATOM 0 HZ1 LYS B 99 12.906 12.620 1.953 1.00 1.59 H new ATOM 0 HZ2 LYS B 99 11.899 11.709 2.972 1.00 1.59 H new ATOM 0 HZ3 LYS B 99 12.928 12.888 3.629 1.00 1.59 H new ATOM 2032 N ASN B 100 10.192 11.278 6.820 1.00 1.12 N ATOM 2033 CA ASN B 100 9.171 12.196 6.325 1.00 1.11 C ATOM 2034 C ASN B 100 8.087 12.441 7.364 1.00 1.13 C ATOM 2035 O ASN B 100 7.092 13.106 7.075 1.00 1.12 O ATOM 2036 CB ASN B 100 8.547 11.657 5.036 1.00 1.07 C ATOM 2037 CG ASN B 100 9.363 12.014 3.810 1.00 1.32 C ATOM 2038 OD1 ASN B 100 10.301 11.305 3.442 1.00 1.75 O ATOM 2039 ND2 ASN B 100 9.021 13.119 3.167 1.00 1.49 N ATOM 0 H ASN B 100 9.949 10.291 6.740 1.00 1.12 H new ATOM 0 HA ASN B 100 9.659 13.148 6.116 1.00 1.11 H new ATOM 0 HB2 ASN B 100 8.454 10.573 5.105 1.00 1.07 H new ATOM 0 HB3 ASN B 100 7.539 12.057 4.928 1.00 1.07 H new ATOM 0 HD21 ASN B 100 9.540 13.408 2.338 1.00 1.49 H new ATOM 0 HD22 ASN B 100 8.238 13.682 3.501 1.00 1.49 H new ATOM 2046 N ASP B 101 8.293 11.897 8.564 1.00 1.19 N ATOM 2047 CA ASP B 101 7.344 12.046 9.677 1.00 1.24 C ATOM 2048 C ASP B 101 5.932 11.654 9.248 1.00 1.23 C ATOM 2049 O ASP B 101 5.019 12.484 9.203 1.00 1.33 O ATOM 2050 CB ASP B 101 7.365 13.479 10.214 1.00 1.27 C ATOM 2051 CG ASP B 101 6.606 13.634 11.518 1.00 1.36 C ATOM 2052 OD1 ASP B 101 6.404 12.624 12.228 1.00 1.84 O ATOM 2053 OD2 ASP B 101 6.218 14.777 11.844 1.00 1.79 O ATOM 0 H ASP B 101 9.117 11.342 8.795 1.00 1.19 H new ATOM 0 HA ASP B 101 7.653 11.373 10.477 1.00 1.24 H new ATOM 0 HB2 ASP B 101 8.399 13.790 10.363 1.00 1.27 H new ATOM 0 HB3 ASP B 101 6.935 14.147 9.468 1.00 1.27 H new ATOM 2058 N LEU B 102 5.768 10.386 8.914 1.00 1.15 N ATOM 2059 CA LEU B 102 4.482 9.866 8.476 1.00 1.17 C ATOM 2060 C LEU B 102 3.768 9.144 9.616 1.00 1.23 C ATOM 2061 O LEU B 102 4.284 9.060 10.730 1.00 1.28 O ATOM 2062 CB LEU B 102 4.677 8.913 7.298 1.00 1.11 C ATOM 2063 CG LEU B 102 4.040 9.362 5.980 1.00 1.26 C ATOM 2064 CD1 LEU B 102 4.708 10.625 5.461 1.00 1.96 C ATOM 2065 CD2 LEU B 102 4.123 8.252 4.944 1.00 1.50 C ATOM 0 H LEU B 102 6.515 9.692 8.938 1.00 1.15 H new ATOM 0 HA LEU B 102 3.863 10.707 8.161 1.00 1.17 H new ATOM 0 HB2 LEU B 102 5.746 8.775 7.137 1.00 1.11 H new ATOM 0 HB3 LEU B 102 4.267 7.940 7.568 1.00 1.11 H new ATOM 0 HG LEU B 102 2.989 9.584 6.167 1.00 1.26 H new ATOM 0 HD11 LEU B 102 4.239 10.926 4.524 1.00 1.96 H new ATOM 0 HD12 LEU B 102 4.597 11.423 6.195 1.00 1.96 H new ATOM 0 HD13 LEU B 102 5.767 10.433 5.292 1.00 1.96 H new ATOM 0 HD21 LEU B 102 3.666 8.588 4.013 1.00 1.50 H new ATOM 0 HD22 LEU B 102 5.168 7.999 4.764 1.00 1.50 H new ATOM 0 HD23 LEU B 102 3.595 7.372 5.311 1.00 1.50 H new ATOM 2077 N ASN B 103 2.581 8.630 9.327 1.00 1.25 N ATOM 2078 CA ASN B 103 1.794 7.911 10.322 1.00 1.31 C ATOM 2079 C ASN B 103 2.005 6.404 10.183 1.00 1.23 C ATOM 2080 O ASN B 103 2.027 5.881 9.068 1.00 1.14 O ATOM 2081 CB ASN B 103 0.306 8.251 10.172 1.00 1.37 C ATOM 2082 CG ASN B 103 -0.549 7.613 11.251 1.00 1.43 C ATOM 2083 OD1 ASN B 103 -0.970 6.466 11.126 1.00 1.34 O ATOM 2084 ND2 ASN B 103 -0.811 8.356 12.318 1.00 1.84 N ATOM 0 H ASN B 103 2.140 8.697 8.410 1.00 1.25 H new ATOM 0 HA ASN B 103 2.127 8.220 11.313 1.00 1.31 H new ATOM 0 HB2 ASN B 103 0.179 9.333 10.205 1.00 1.37 H new ATOM 0 HB3 ASN B 103 -0.042 7.919 9.194 1.00 1.37 H new ATOM 0 HD21 ASN B 103 -1.382 7.979 13.074 1.00 1.84 H new ATOM 0 HD22 ASN B 103 -0.442 9.305 12.382 1.00 1.84 H new ATOM 2091 N PRO B 104 2.173 5.692 11.318 1.00 1.29 N ATOM 2092 CA PRO B 104 2.390 4.233 11.350 1.00 1.25 C ATOM 2093 C PRO B 104 1.378 3.418 10.532 1.00 1.19 C ATOM 2094 O PRO B 104 1.641 2.264 10.202 1.00 1.15 O ATOM 2095 CB PRO B 104 2.260 3.892 12.833 1.00 1.34 C ATOM 2096 CG PRO B 104 2.686 5.130 13.533 1.00 1.55 C ATOM 2097 CD PRO B 104 2.202 6.269 12.681 1.00 1.41 C ATOM 0 HA PRO B 104 3.350 3.980 10.901 1.00 1.25 H new ATOM 0 HB2 PRO B 104 1.236 3.622 13.091 1.00 1.34 H new ATOM 0 HB3 PRO B 104 2.891 3.045 13.103 1.00 1.34 H new ATOM 0 HG2 PRO B 104 2.257 5.181 14.534 1.00 1.55 H new ATOM 0 HG3 PRO B 104 3.769 5.161 13.648 1.00 1.55 H new ATOM 0 HD2 PRO B 104 1.216 6.613 12.993 1.00 1.41 H new ATOM 0 HD3 PRO B 104 2.872 7.127 12.740 1.00 1.41 H new ATOM 2105 N MET B 105 0.224 4.000 10.211 1.00 1.21 N ATOM 2106 CA MET B 105 -0.784 3.291 9.422 1.00 1.20 C ATOM 2107 C MET B 105 -0.255 2.990 8.017 1.00 1.13 C ATOM 2108 O MET B 105 -0.642 2.001 7.395 1.00 1.16 O ATOM 2109 CB MET B 105 -2.082 4.105 9.335 1.00 1.27 C ATOM 2110 CG MET B 105 -3.121 3.515 8.387 1.00 1.26 C ATOM 2111 SD MET B 105 -3.664 1.859 8.865 1.00 1.64 S ATOM 2112 CE MET B 105 -5.279 2.228 9.551 1.00 1.78 C ATOM 0 H MET B 105 -0.035 4.949 10.481 1.00 1.21 H new ATOM 0 HA MET B 105 -1.001 2.348 9.923 1.00 1.20 H new ATOM 0 HB2 MET B 105 -2.517 4.184 10.331 1.00 1.27 H new ATOM 0 HB3 MET B 105 -1.843 5.118 9.011 1.00 1.27 H new ATOM 0 HG2 MET B 105 -3.986 4.177 8.349 1.00 1.26 H new ATOM 0 HG3 MET B 105 -2.705 3.477 7.380 1.00 1.26 H new ATOM 0 HE1 MET B 105 -5.799 1.297 9.779 1.00 1.78 H new ATOM 0 HE2 MET B 105 -5.162 2.811 10.464 1.00 1.78 H new ATOM 0 HE3 MET B 105 -5.860 2.800 8.827 1.00 1.78 H new ATOM 2122 N PHE B 106 0.651 3.831 7.533 1.00 1.06 N ATOM 2123 CA PHE B 106 1.229 3.652 6.203 1.00 1.02 C ATOM 2124 C PHE B 106 2.453 2.739 6.244 1.00 0.94 C ATOM 2125 O PHE B 106 2.981 2.358 5.200 1.00 0.87 O ATOM 2126 CB PHE B 106 1.629 5.006 5.609 1.00 1.07 C ATOM 2127 CG PHE B 106 0.474 5.807 5.075 1.00 1.15 C ATOM 2128 CD1 PHE B 106 -0.270 5.343 4.002 1.00 1.28 C ATOM 2129 CD2 PHE B 106 0.137 7.027 5.640 1.00 1.30 C ATOM 2130 CE1 PHE B 106 -1.329 6.080 3.502 1.00 1.47 C ATOM 2131 CE2 PHE B 106 -0.921 7.769 5.145 1.00 1.45 C ATOM 2132 CZ PHE B 106 -1.655 7.294 4.071 1.00 1.49 C ATOM 0 H PHE B 106 1.002 4.644 8.040 1.00 1.06 H new ATOM 0 HA PHE B 106 0.468 3.186 5.577 1.00 1.02 H new ATOM 0 HB2 PHE B 106 2.139 5.590 6.375 1.00 1.07 H new ATOM 0 HB3 PHE B 106 2.345 4.840 4.804 1.00 1.07 H new ATOM 0 HD1 PHE B 106 -0.020 4.394 3.550 1.00 1.28 H new ATOM 0 HD2 PHE B 106 0.707 7.403 6.477 1.00 1.30 H new ATOM 0 HE1 PHE B 106 -1.901 5.705 2.666 1.00 1.47 H new ATOM 0 HE2 PHE B 106 -1.174 8.717 5.596 1.00 1.45 H new ATOM 0 HZ PHE B 106 -2.480 7.872 3.680 1.00 1.49 H new ATOM 2142 N LEU B 107 2.885 2.381 7.451 1.00 0.98 N ATOM 2143 CA LEU B 107 4.064 1.535 7.636 1.00 0.93 C ATOM 2144 C LEU B 107 3.938 0.205 6.898 1.00 0.89 C ATOM 2145 O LEU B 107 4.725 -0.086 6.003 1.00 0.84 O ATOM 2146 CB LEU B 107 4.307 1.274 9.125 1.00 1.01 C ATOM 2147 CG LEU B 107 5.482 0.344 9.442 1.00 0.95 C ATOM 2148 CD1 LEU B 107 6.791 1.117 9.453 1.00 0.94 C ATOM 2149 CD2 LEU B 107 5.264 -0.362 10.771 1.00 1.08 C ATOM 0 H LEU B 107 2.434 2.665 8.321 1.00 0.98 H new ATOM 0 HA LEU B 107 4.913 2.074 7.215 1.00 0.93 H new ATOM 0 HB2 LEU B 107 4.477 2.229 9.622 1.00 1.01 H new ATOM 0 HB3 LEU B 107 3.401 0.847 9.555 1.00 1.01 H new ATOM 0 HG LEU B 107 5.539 -0.412 8.659 1.00 0.95 H new ATOM 0 HD11 LEU B 107 7.613 0.438 9.680 1.00 0.94 H new ATOM 0 HD12 LEU B 107 6.954 1.570 8.475 1.00 0.94 H new ATOM 0 HD13 LEU B 107 6.746 1.898 10.212 1.00 0.94 H new ATOM 0 HD21 LEU B 107 6.110 -1.018 10.978 1.00 1.08 H new ATOM 0 HD22 LEU B 107 5.176 0.378 11.566 1.00 1.08 H new ATOM 0 HD23 LEU B 107 4.350 -0.953 10.723 1.00 1.08 H new ATOM 2161 N ASP B 108 2.941 -0.594 7.268 1.00 0.96 N ATOM 2162 CA ASP B 108 2.739 -1.906 6.649 1.00 0.96 C ATOM 2163 C ASP B 108 2.440 -1.788 5.157 1.00 0.90 C ATOM 2164 O ASP B 108 2.837 -2.646 4.367 1.00 0.88 O ATOM 2165 CB ASP B 108 1.609 -2.655 7.355 1.00 1.09 C ATOM 2166 CG ASP B 108 1.564 -4.129 6.996 1.00 1.08 C ATOM 2167 OD1 ASP B 108 2.635 -4.769 6.933 1.00 1.22 O ATOM 2168 OD2 ASP B 108 0.452 -4.663 6.797 1.00 1.40 O ATOM 0 H ASP B 108 2.261 -0.359 7.991 1.00 0.96 H new ATOM 0 HA ASP B 108 3.667 -2.468 6.757 1.00 0.96 H new ATOM 0 HB2 ASP B 108 1.730 -2.552 8.433 1.00 1.09 H new ATOM 0 HB3 ASP B 108 0.656 -2.194 7.096 1.00 1.09 H new ATOM 2173 N GLN B 109 1.764 -0.710 4.768 1.00 0.91 N ATOM 2174 CA GLN B 109 1.416 -0.485 3.365 1.00 0.90 C ATOM 2175 C GLN B 109 2.667 -0.377 2.495 1.00 0.86 C ATOM 2176 O GLN B 109 2.730 -0.952 1.407 1.00 0.91 O ATOM 2177 CB GLN B 109 0.570 0.783 3.213 1.00 0.96 C ATOM 2178 CG GLN B 109 0.144 1.058 1.777 1.00 0.92 C ATOM 2179 CD GLN B 109 -0.504 2.414 1.603 1.00 1.16 C ATOM 2180 OE1 GLN B 109 -1.724 2.546 1.657 1.00 1.34 O ATOM 2181 NE2 GLN B 109 0.313 3.434 1.389 1.00 1.66 N ATOM 0 H GLN B 109 1.446 0.022 5.403 1.00 0.91 H new ATOM 0 HA GLN B 109 0.834 -1.344 3.030 1.00 0.90 H new ATOM 0 HB2 GLN B 109 -0.319 0.694 3.837 1.00 0.96 H new ATOM 0 HB3 GLN B 109 1.137 1.636 3.585 1.00 0.96 H new ATOM 0 HG2 GLN B 109 1.016 0.992 1.126 1.00 0.92 H new ATOM 0 HG3 GLN B 109 -0.553 0.284 1.456 1.00 0.92 H new ATOM 0 HE21 GLN B 109 1.321 3.281 1.351 1.00 1.66 H new ATOM 0 HE22 GLN B 109 -0.065 4.373 1.262 1.00 1.66 H new ATOM 2190 N VAL B 110 3.663 0.357 2.976 1.00 0.80 N ATOM 2191 CA VAL B 110 4.897 0.533 2.220 1.00 0.79 C ATOM 2192 C VAL B 110 5.891 -0.595 2.505 1.00 0.76 C ATOM 2193 O VAL B 110 6.701 -0.946 1.648 1.00 0.79 O ATOM 2194 CB VAL B 110 5.559 1.903 2.504 1.00 0.80 C ATOM 2195 CG1 VAL B 110 4.637 3.034 2.082 1.00 0.91 C ATOM 2196 CG2 VAL B 110 5.939 2.045 3.968 1.00 0.75 C ATOM 0 H VAL B 110 3.642 0.836 3.877 1.00 0.80 H new ATOM 0 HA VAL B 110 4.623 0.501 1.165 1.00 0.79 H new ATOM 0 HB VAL B 110 6.476 1.958 1.917 1.00 0.80 H new ATOM 0 HG11 VAL B 110 5.117 3.991 2.288 1.00 0.91 H new ATOM 0 HG12 VAL B 110 4.429 2.955 1.015 1.00 0.91 H new ATOM 0 HG13 VAL B 110 3.703 2.969 2.640 1.00 0.91 H new ATOM 0 HG21 VAL B 110 6.401 3.019 4.131 1.00 0.75 H new ATOM 0 HG22 VAL B 110 5.045 1.959 4.586 1.00 0.75 H new ATOM 0 HG23 VAL B 110 6.644 1.259 4.239 1.00 0.75 H new ATOM 2206 N ALA B 111 5.819 -1.167 3.705 1.00 0.75 N ATOM 2207 CA ALA B 111 6.709 -2.258 4.086 1.00 0.75 C ATOM 2208 C ALA B 111 6.411 -3.511 3.278 1.00 0.75 C ATOM 2209 O ALA B 111 7.319 -4.143 2.734 1.00 0.75 O ATOM 2210 CB ALA B 111 6.594 -2.552 5.575 1.00 0.77 C ATOM 0 H ALA B 111 5.154 -0.893 4.428 1.00 0.75 H new ATOM 0 HA ALA B 111 7.731 -1.946 3.871 1.00 0.75 H new ATOM 0 HB1 ALA B 111 7.266 -3.369 5.838 1.00 0.77 H new ATOM 0 HB2 ALA B 111 6.865 -1.662 6.144 1.00 0.77 H new ATOM 0 HB3 ALA B 111 5.569 -2.836 5.812 1.00 0.77 H new ATOM 2216 N LYS B 112 5.132 -3.860 3.183 1.00 0.76 N ATOM 2217 CA LYS B 112 4.718 -5.042 2.441 1.00 0.77 C ATOM 2218 C LYS B 112 5.006 -4.879 0.955 1.00 0.78 C ATOM 2219 O LYS B 112 5.213 -5.864 0.246 1.00 0.83 O ATOM 2220 CB LYS B 112 3.236 -5.334 2.671 1.00 0.80 C ATOM 2221 CG LYS B 112 2.974 -6.098 3.956 1.00 0.85 C ATOM 2222 CD LYS B 112 1.574 -6.686 3.986 1.00 0.93 C ATOM 2223 CE LYS B 112 1.449 -7.740 5.076 1.00 1.04 C ATOM 2224 NZ LYS B 112 1.574 -7.157 6.438 1.00 1.14 N ATOM 0 H LYS B 112 4.366 -3.340 3.611 1.00 0.76 H new ATOM 0 HA LYS B 112 5.296 -5.890 2.809 1.00 0.77 H new ATOM 0 HB2 LYS B 112 2.686 -4.393 2.695 1.00 0.80 H new ATOM 0 HB3 LYS B 112 2.849 -5.908 1.829 1.00 0.80 H new ATOM 0 HG2 LYS B 112 3.707 -6.898 4.059 1.00 0.85 H new ATOM 0 HG3 LYS B 112 3.107 -5.432 4.809 1.00 0.85 H new ATOM 0 HD2 LYS B 112 0.846 -5.893 4.157 1.00 0.93 H new ATOM 0 HD3 LYS B 112 1.341 -7.129 3.018 1.00 0.93 H new ATOM 0 HE2 LYS B 112 0.486 -8.242 4.985 1.00 1.04 H new ATOM 0 HE3 LYS B 112 2.219 -8.499 4.935 1.00 1.04 H new ATOM 0 HZ1 LYS B 112 1.755 -7.916 7.125 1.00 1.14 H new ATOM 0 HZ2 LYS B 112 2.363 -6.480 6.455 1.00 1.14 H new ATOM 0 HZ3 LYS B 112 0.692 -6.666 6.688 1.00 1.14 H new ATOM 2238 N PHE B 113 5.033 -3.630 0.496 1.00 0.78 N ATOM 2239 CA PHE B 113 5.328 -3.336 -0.901 1.00 0.83 C ATOM 2240 C PHE B 113 6.758 -3.761 -1.204 1.00 0.84 C ATOM 2241 O PHE B 113 7.066 -4.261 -2.285 1.00 0.95 O ATOM 2242 CB PHE B 113 5.149 -1.841 -1.180 1.00 0.87 C ATOM 2243 CG PHE B 113 4.542 -1.538 -2.522 1.00 1.11 C ATOM 2244 CD1 PHE B 113 5.224 -1.824 -3.693 1.00 1.29 C ATOM 2245 CD2 PHE B 113 3.285 -0.959 -2.610 1.00 1.76 C ATOM 2246 CE1 PHE B 113 4.666 -1.542 -4.927 1.00 1.57 C ATOM 2247 CE2 PHE B 113 2.723 -0.674 -3.840 1.00 2.06 C ATOM 2248 CZ PHE B 113 3.414 -0.966 -4.998 1.00 1.78 C ATOM 0 H PHE B 113 4.854 -2.807 1.072 1.00 0.78 H new ATOM 0 HA PHE B 113 4.639 -3.886 -1.542 1.00 0.83 H new ATOM 0 HB2 PHE B 113 4.519 -1.409 -0.402 1.00 0.87 H new ATOM 0 HB3 PHE B 113 6.120 -1.350 -1.113 1.00 0.87 H new ATOM 0 HD1 PHE B 113 6.205 -2.273 -3.642 1.00 1.29 H new ATOM 0 HD2 PHE B 113 2.739 -0.728 -1.707 1.00 1.76 H new ATOM 0 HE1 PHE B 113 5.209 -1.772 -5.832 1.00 1.57 H new ATOM 0 HE2 PHE B 113 1.743 -0.223 -3.895 1.00 2.06 H new ATOM 0 HZ PHE B 113 2.975 -0.744 -5.960 1.00 1.78 H new ATOM 2258 N ILE B 114 7.629 -3.569 -0.220 1.00 0.75 N ATOM 2259 CA ILE B 114 9.025 -3.945 -0.346 1.00 0.79 C ATOM 2260 C ILE B 114 9.167 -5.458 -0.230 1.00 0.85 C ATOM 2261 O ILE B 114 9.988 -6.074 -0.912 1.00 0.93 O ATOM 2262 CB ILE B 114 9.891 -3.277 0.742 1.00 0.76 C ATOM 2263 CG1 ILE B 114 9.709 -1.760 0.718 1.00 0.72 C ATOM 2264 CG2 ILE B 114 11.354 -3.646 0.556 1.00 0.89 C ATOM 2265 CD1 ILE B 114 10.344 -1.056 1.900 1.00 0.69 C ATOM 0 H ILE B 114 7.387 -3.152 0.679 1.00 0.75 H new ATOM 0 HA ILE B 114 9.371 -3.607 -1.323 1.00 0.79 H new ATOM 0 HB ILE B 114 9.566 -3.643 1.716 1.00 0.76 H new ATOM 0 HG12 ILE B 114 10.138 -1.365 -0.203 1.00 0.72 H new ATOM 0 HG13 ILE B 114 8.644 -1.530 0.698 1.00 0.72 H new ATOM 0 HG21 ILE B 114 11.952 -3.167 1.331 1.00 0.89 H new ATOM 0 HG22 ILE B 114 11.468 -4.728 0.626 1.00 0.89 H new ATOM 0 HG23 ILE B 114 11.693 -3.308 -0.424 1.00 0.89 H new ATOM 0 HD11 ILE B 114 10.176 0.018 1.817 1.00 0.69 H new ATOM 0 HD12 ILE B 114 9.898 -1.423 2.825 1.00 0.69 H new ATOM 0 HD13 ILE B 114 11.416 -1.256 1.910 1.00 0.69 H new ATOM 2277 N ILE B 115 8.347 -6.046 0.640 1.00 0.84 N ATOM 2278 CA ILE B 115 8.361 -7.487 0.869 1.00 0.90 C ATOM 2279 C ILE B 115 8.110 -8.252 -0.426 1.00 0.98 C ATOM 2280 O ILE B 115 8.755 -9.267 -0.682 1.00 1.05 O ATOM 2281 CB ILE B 115 7.310 -7.910 1.925 1.00 0.89 C ATOM 2282 CG1 ILE B 115 7.650 -7.290 3.282 1.00 0.91 C ATOM 2283 CG2 ILE B 115 7.235 -9.430 2.041 1.00 0.95 C ATOM 2284 CD1 ILE B 115 6.683 -7.667 4.381 1.00 0.95 C ATOM 0 H ILE B 115 7.661 -5.541 1.201 1.00 0.84 H new ATOM 0 HA ILE B 115 9.353 -7.735 1.246 1.00 0.90 H new ATOM 0 HB ILE B 115 6.334 -7.546 1.603 1.00 0.89 H new ATOM 0 HG12 ILE B 115 8.654 -7.599 3.572 1.00 0.91 H new ATOM 0 HG13 ILE B 115 7.667 -6.205 3.182 1.00 0.91 H new ATOM 0 HG21 ILE B 115 6.490 -9.702 2.789 1.00 0.95 H new ATOM 0 HG22 ILE B 115 6.954 -9.855 1.078 1.00 0.95 H new ATOM 0 HG23 ILE B 115 8.208 -9.821 2.340 1.00 0.95 H new ATOM 0 HD11 ILE B 115 6.988 -7.191 5.313 1.00 0.95 H new ATOM 0 HD12 ILE B 115 5.680 -7.333 4.114 1.00 0.95 H new ATOM 0 HD13 ILE B 115 6.683 -8.749 4.510 1.00 0.95 H new ATOM 2296 N ASP B 116 7.190 -7.755 -1.249 1.00 1.03 N ATOM 2297 CA ASP B 116 6.870 -8.410 -2.515 1.00 1.15 C ATOM 2298 C ASP B 116 8.091 -8.451 -3.422 1.00 1.08 C ATOM 2299 O ASP B 116 8.282 -9.401 -4.187 1.00 1.16 O ATOM 2300 CB ASP B 116 5.711 -7.712 -3.223 1.00 1.29 C ATOM 2301 CG ASP B 116 4.717 -8.709 -3.779 1.00 1.56 C ATOM 2302 OD1 ASP B 116 3.951 -9.288 -2.980 1.00 1.57 O ATOM 2303 OD2 ASP B 116 4.714 -8.943 -5.008 1.00 2.13 O ATOM 0 H ASP B 116 6.656 -6.906 -1.064 1.00 1.03 H new ATOM 0 HA ASP B 116 6.565 -9.432 -2.290 1.00 1.15 H new ATOM 0 HB2 ASP B 116 5.206 -7.045 -2.525 1.00 1.29 H new ATOM 0 HB3 ASP B 116 6.098 -7.093 -4.032 1.00 1.29 H new ATOM 2308 N ASN B 117 8.926 -7.424 -3.313 1.00 0.95 N ATOM 2309 CA ASN B 117 10.147 -7.331 -4.102 1.00 0.93 C ATOM 2310 C ASN B 117 11.177 -8.337 -3.600 1.00 0.95 C ATOM 2311 O ASN B 117 11.743 -9.099 -4.384 1.00 1.00 O ATOM 2312 CB ASN B 117 10.717 -5.908 -4.043 1.00 0.97 C ATOM 2313 CG ASN B 117 12.134 -5.816 -4.580 1.00 1.17 C ATOM 2314 OD1 ASN B 117 12.351 -5.715 -5.788 1.00 1.29 O ATOM 2315 ND2 ASN B 117 13.110 -5.842 -3.685 1.00 1.38 N ATOM 0 H ASN B 117 8.777 -6.638 -2.680 1.00 0.95 H new ATOM 0 HA ASN B 117 9.909 -7.564 -5.140 1.00 0.93 H new ATOM 0 HB2 ASN B 117 10.073 -5.240 -4.615 1.00 0.97 H new ATOM 0 HB3 ASN B 117 10.702 -5.559 -3.011 1.00 0.97 H new ATOM 0 HD21 ASN B 117 14.082 -5.777 -3.988 1.00 1.38 H new ATOM 0 HD22 ASN B 117 12.890 -5.927 -2.693 1.00 1.38 H new ATOM 2322 N THR B 118 11.399 -8.350 -2.287 1.00 1.00 N ATOM 2323 CA THR B 118 12.357 -9.266 -1.679 1.00 1.12 C ATOM 2324 C THR B 118 11.907 -10.722 -1.846 1.00 1.21 C ATOM 2325 O THR B 118 12.732 -11.624 -2.014 1.00 1.37 O ATOM 2326 CB THR B 118 12.550 -8.946 -0.183 1.00 1.19 C ATOM 2327 OG1 THR B 118 12.542 -7.523 0.011 1.00 1.29 O ATOM 2328 CG2 THR B 118 13.862 -9.522 0.331 1.00 1.57 C ATOM 0 H THR B 118 10.927 -7.735 -1.624 1.00 1.00 H new ATOM 0 HA THR B 118 13.310 -9.134 -2.192 1.00 1.12 H new ATOM 0 HB THR B 118 11.731 -9.400 0.374 1.00 1.19 H new ATOM 0 HG1 THR B 118 13.434 -7.225 0.286 1.00 1.29 H new ATOM 0 HG21 THR B 118 13.975 -9.283 1.388 1.00 1.57 H new ATOM 0 HG22 THR B 118 13.860 -10.604 0.202 1.00 1.57 H new ATOM 0 HG23 THR B 118 14.692 -9.092 -0.229 1.00 1.57 H new ATOM 2336 N LYS B 119 10.595 -10.932 -1.795 1.00 1.22 N ATOM 2337 CA LYS B 119 10.011 -12.260 -1.961 1.00 1.37 C ATOM 2338 C LYS B 119 10.099 -12.680 -3.423 1.00 1.41 C ATOM 2339 O LYS B 119 10.385 -13.835 -3.734 1.00 1.65 O ATOM 2340 CB LYS B 119 8.553 -12.250 -1.477 1.00 1.44 C ATOM 2341 CG LYS B 119 7.674 -13.345 -2.071 1.00 1.57 C ATOM 2342 CD LYS B 119 6.211 -13.173 -1.672 1.00 1.83 C ATOM 2343 CE LYS B 119 5.730 -11.745 -1.897 1.00 1.82 C ATOM 2344 NZ LYS B 119 4.249 -11.621 -1.815 1.00 1.87 N ATOM 0 H LYS B 119 9.910 -10.192 -1.639 1.00 1.22 H new ATOM 0 HA LYS B 119 10.565 -12.983 -1.362 1.00 1.37 H new ATOM 0 HB2 LYS B 119 8.545 -12.346 -0.391 1.00 1.44 H new ATOM 0 HB3 LYS B 119 8.113 -11.282 -1.715 1.00 1.44 H new ATOM 0 HG2 LYS B 119 7.759 -13.330 -3.158 1.00 1.57 H new ATOM 0 HG3 LYS B 119 8.030 -14.319 -1.736 1.00 1.57 H new ATOM 0 HD2 LYS B 119 5.593 -13.860 -2.250 1.00 1.83 H new ATOM 0 HD3 LYS B 119 6.087 -13.438 -0.622 1.00 1.83 H new ATOM 0 HE2 LYS B 119 6.187 -11.090 -1.155 1.00 1.82 H new ATOM 0 HE3 LYS B 119 6.066 -11.402 -2.876 1.00 1.82 H new ATOM 0 HZ1 LYS B 119 3.968 -10.650 -2.058 1.00 1.87 H new ATOM 0 HZ2 LYS B 119 3.807 -12.286 -2.481 1.00 1.87 H new ATOM 0 HZ3 LYS B 119 3.935 -11.840 -0.848 1.00 1.87 H new ATOM 2358 N GLY B 120 9.864 -11.727 -4.318 1.00 1.52 N ATOM 2359 CA GLY B 120 9.938 -12.002 -5.735 1.00 1.69 C ATOM 2360 C GLY B 120 8.676 -12.631 -6.293 1.00 1.69 C ATOM 2361 O GLY B 120 8.756 -13.540 -7.123 1.00 2.16 O ATOM 0 H GLY B 120 9.622 -10.764 -4.082 1.00 1.52 H new ATOM 0 HA2 GLY B 120 10.138 -11.073 -6.268 1.00 1.69 H new ATOM 0 HA3 GLY B 120 10.781 -12.666 -5.925 1.00 1.69 H new ATOM 2365 N GLN B 121 7.513 -12.150 -5.850 1.00 1.54 N ATOM 2366 CA GLN B 121 6.240 -12.686 -6.333 1.00 1.83 C ATOM 2367 C GLN B 121 6.092 -12.395 -7.823 1.00 1.53 C ATOM 2368 O GLN B 121 5.820 -13.288 -8.622 1.00 1.76 O ATOM 2369 CB GLN B 121 5.061 -12.092 -5.564 1.00 2.41 C ATOM 2370 CG GLN B 121 3.713 -12.662 -5.980 1.00 3.25 C ATOM 2371 CD GLN B 121 2.550 -12.064 -5.213 1.00 3.93 C ATOM 2372 OE1 GLN B 121 1.580 -12.750 -4.904 1.00 4.44 O ATOM 2373 NE2 GLN B 121 2.630 -10.783 -4.903 1.00 4.31 N ATOM 0 H GLN B 121 7.426 -11.399 -5.165 1.00 1.54 H new ATOM 0 HA GLN B 121 6.239 -13.764 -6.170 1.00 1.83 H new ATOM 0 HB2 GLN B 121 5.207 -12.268 -4.498 1.00 2.41 H new ATOM 0 HB3 GLN B 121 5.050 -11.012 -5.710 1.00 2.41 H new ATOM 0 HG2 GLN B 121 3.565 -12.488 -7.046 1.00 3.25 H new ATOM 0 HG3 GLN B 121 3.721 -13.742 -5.832 1.00 3.25 H new ATOM 0 HE21 GLN B 121 3.451 -10.243 -5.176 1.00 4.31 H new ATOM 0 HE22 GLN B 121 1.871 -10.334 -4.391 1.00 4.31 H new ATOM 2382 N MET B 122 6.295 -11.136 -8.189 1.00 1.52 N ATOM 2383 CA MET B 122 6.212 -10.724 -9.585 1.00 1.72 C ATOM 2384 C MET B 122 7.589 -10.838 -10.234 1.00 1.91 C ATOM 2385 O MET B 122 7.964 -10.032 -11.083 1.00 2.38 O ATOM 2386 CB MET B 122 5.678 -9.289 -9.701 1.00 2.18 C ATOM 2387 CG MET B 122 6.463 -8.266 -8.892 1.00 2.58 C ATOM 2388 SD MET B 122 6.200 -6.576 -9.464 1.00 3.62 S ATOM 2389 CE MET B 122 7.312 -6.525 -10.867 1.00 3.50 C ATOM 0 H MET B 122 6.518 -10.382 -7.539 1.00 1.52 H new ATOM 0 HA MET B 122 5.516 -11.382 -10.105 1.00 1.72 H new ATOM 0 HB2 MET B 122 5.689 -8.992 -10.750 1.00 2.18 H new ATOM 0 HB3 MET B 122 4.638 -9.273 -9.376 1.00 2.18 H new ATOM 0 HG2 MET B 122 6.174 -8.339 -7.843 1.00 2.58 H new ATOM 0 HG3 MET B 122 7.526 -8.503 -8.948 1.00 2.58 H new ATOM 0 HE1 MET B 122 7.306 -5.525 -11.300 1.00 3.50 H new ATOM 0 HE2 MET B 122 8.322 -6.773 -10.540 1.00 3.50 H new ATOM 0 HE3 MET B 122 6.986 -7.247 -11.616 1.00 3.50 H new