USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 GLN :FLIP amide:sc= 0 F(o=-0.73,f=-0.12) USER MOD Set 1.2: A 65 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.73) USER MOD Set 2.1: A 15 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Set 2.2: A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 170:sc= -0.0048 (180deg=-0.207) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -4.23! C(o=-4.2!,f=-4.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS :FLIP no HD1:sc= -12.4! C(o=-14!,f=-12!) USER MOD Single : A 23 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.48) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 60:sc= -1.03 USER MOD Single : A 31 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.9!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -131:sc= 0.635 (180deg=-0.0426) USER MOD Single : A 38 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.46) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00663) USER MOD Single : A 53 ASN : amide:sc= -3.35! C(o=-3.3!,f=-7.5!) USER MOD Single : A 66 GLN : amide:sc= -0.0761 K(o=-0.076,f=-1.2) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= -0.018 (180deg=-0.018) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -21.161 -8.305 8.889 1.00 6.51 N ATOM 2 CA ILE A 6 -20.195 -8.226 7.801 1.00 5.95 C ATOM 3 C ILE A 6 -20.166 -6.822 7.211 1.00 5.14 C ATOM 4 O ILE A 6 -21.210 -6.200 7.013 1.00 5.46 O ATOM 5 CB ILE A 6 -20.548 -9.236 6.713 1.00 6.67 C ATOM 6 CG1 ILE A 6 -20.874 -10.594 7.327 1.00 7.44 C ATOM 7 CG2 ILE A 6 -19.413 -9.363 5.702 1.00 6.84 C ATOM 8 CD1 ILE A 6 -22.346 -10.954 7.144 1.00 8.10 C ATOM 0 HA ILE A 6 -19.208 -8.458 8.200 1.00 5.95 H new ATOM 0 HB ILE A 6 -21.432 -8.874 6.188 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -20.251 -11.361 6.867 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -20.631 -10.581 8.390 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -19.687 -10.088 4.936 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -19.231 -8.395 5.236 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -18.509 -9.697 6.210 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -22.541 -11.928 7.594 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -22.968 -10.200 7.627 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -22.582 -10.992 6.080 1.00 8.10 H new ATOM 20 N ASN A 7 -18.965 -6.328 6.931 1.00 4.48 N ATOM 21 CA ASN A 7 -18.800 -4.996 6.361 1.00 4.06 C ATOM 22 C ASN A 7 -17.923 -5.054 5.117 1.00 3.11 C ATOM 23 O ASN A 7 -17.121 -4.154 4.867 1.00 3.46 O ATOM 24 CB ASN A 7 -18.175 -4.061 7.393 1.00 4.82 C ATOM 25 CG ASN A 7 -18.995 -2.785 7.516 1.00 5.60 C ATOM 26 OD1 ASN A 7 -19.703 -2.581 8.502 1.00 5.87 O ATOM 27 ND2 ASN A 7 -18.899 -1.921 6.512 1.00 6.34 N ATOM 0 H ASN A 7 -18.091 -6.830 7.089 1.00 4.48 H new ATOM 0 HA ASN A 7 -19.781 -4.615 6.079 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -18.120 -4.561 8.360 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -17.153 -3.818 7.102 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -19.425 -1.047 6.539 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -18.300 -2.131 5.714 1.00 6.34 H new ATOM 34 N ARG A 8 -18.079 -6.122 4.341 1.00 2.49 N ATOM 35 CA ARG A 8 -17.302 -6.304 3.120 1.00 2.11 C ATOM 36 C ARG A 8 -15.812 -6.295 3.432 1.00 1.69 C ATOM 37 O ARG A 8 -15.406 -6.004 4.558 1.00 2.38 O ATOM 38 CB ARG A 8 -17.632 -5.199 2.121 1.00 2.95 C ATOM 39 CG ARG A 8 -19.113 -5.198 1.755 1.00 3.61 C ATOM 40 CD ARG A 8 -19.408 -4.228 0.615 1.00 4.57 C ATOM 41 NE ARG A 8 -20.849 -4.081 0.435 1.00 5.39 N ATOM 42 CZ ARG A 8 -21.501 -3.004 0.861 1.00 6.19 C ATOM 43 NH1 ARG A 8 -20.994 -2.263 1.838 1.00 6.68 N ATOM 44 NH2 ARG A 8 -22.658 -2.665 0.309 1.00 6.74 N ATOM 0 H ARG A 8 -18.738 -6.876 4.537 1.00 2.49 H new ATOM 0 HA ARG A 8 -17.561 -7.268 2.683 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -17.360 -4.232 2.544 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -17.034 -5.332 1.220 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -19.418 -6.204 1.466 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -19.704 -4.924 2.629 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -18.961 -3.257 0.829 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -18.955 -4.591 -0.307 1.00 4.57 H new ATOM 0 HE ARG A 8 -21.370 -4.825 -0.030 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -20.103 -2.520 2.263 1.00 6.68 H new ATOM 0 HH12 ARG A 8 -21.495 -1.437 2.164 1.00 6.68 H new ATOM 0 HH21 ARG A 8 -23.049 -3.231 -0.444 1.00 6.74 H new ATOM 0 HH22 ARG A 8 -23.157 -1.838 0.637 1.00 6.74 H new ATOM 58 N MET A 9 -14.998 -6.617 2.431 1.00 1.18 N ATOM 59 CA MET A 9 -13.549 -6.647 2.605 1.00 0.82 C ATOM 60 C MET A 9 -12.853 -6.947 1.283 1.00 0.72 C ATOM 61 O MET A 9 -13.011 -8.029 0.719 1.00 0.97 O ATOM 62 CB MET A 9 -13.173 -7.706 3.638 1.00 1.08 C ATOM 63 CG MET A 9 -11.816 -7.415 4.272 1.00 1.61 C ATOM 64 SD MET A 9 -11.560 -8.328 5.803 1.00 2.27 S ATOM 65 CE MET A 9 -11.767 -10.021 5.229 1.00 2.82 C ATOM 0 H MET A 9 -15.316 -6.860 1.493 1.00 1.18 H new ATOM 0 HA MET A 9 -13.223 -5.667 2.954 1.00 0.82 H new ATOM 0 HB2 MET A 9 -13.937 -7.745 4.414 1.00 1.08 H new ATOM 0 HB3 MET A 9 -13.151 -8.687 3.163 1.00 1.08 H new ATOM 0 HG2 MET A 9 -11.026 -7.669 3.565 1.00 1.61 H new ATOM 0 HG3 MET A 9 -11.734 -6.347 4.472 1.00 1.61 H new ATOM 0 HE1 MET A 9 -11.465 -10.712 6.016 1.00 2.82 H new ATOM 0 HE2 MET A 9 -12.813 -10.194 4.976 1.00 2.82 H new ATOM 0 HE3 MET A 9 -11.148 -10.184 4.347 1.00 2.82 H new ATOM 75 N ASP A 10 -12.076 -5.984 0.799 1.00 0.49 N ATOM 76 CA ASP A 10 -11.346 -6.144 -0.455 1.00 0.42 C ATOM 77 C ASP A 10 -9.854 -5.944 -0.222 1.00 0.38 C ATOM 78 O ASP A 10 -9.409 -4.840 0.089 1.00 0.54 O ATOM 79 CB ASP A 10 -11.852 -5.144 -1.489 1.00 0.44 C ATOM 80 CG ASP A 10 -12.714 -5.848 -2.530 1.00 0.86 C ATOM 81 OD1 ASP A 10 -12.220 -6.802 -3.165 1.00 1.55 O ATOM 82 OD2 ASP A 10 -13.882 -5.443 -2.707 1.00 1.53 O ATOM 0 H ASP A 10 -11.935 -5.083 1.256 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.512 -7.154 -0.831 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -12.431 -4.363 -0.996 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.008 -4.656 -1.976 1.00 0.44 H new ATOM 87 N TYR A 11 -9.086 -7.019 -0.366 1.00 0.40 N ATOM 88 CA TYR A 11 -7.644 -6.958 -0.159 1.00 0.37 C ATOM 89 C TYR A 11 -6.891 -7.199 -1.464 1.00 0.34 C ATOM 90 O TYR A 11 -7.426 -7.781 -2.408 1.00 0.38 O ATOM 91 CB TYR A 11 -7.225 -7.992 0.888 1.00 0.42 C ATOM 92 CG TYR A 11 -7.259 -9.411 0.372 1.00 0.48 C ATOM 93 CD1 TYR A 11 -8.436 -10.137 0.400 1.00 0.54 C ATOM 94 CD2 TYR A 11 -6.108 -9.990 -0.135 1.00 0.57 C ATOM 95 CE1 TYR A 11 -8.463 -11.437 -0.077 1.00 0.63 C ATOM 96 CE2 TYR A 11 -6.134 -11.289 -0.611 1.00 0.67 C ATOM 97 CZ TYR A 11 -7.312 -12.006 -0.579 1.00 0.67 C ATOM 98 OH TYR A 11 -7.338 -13.298 -1.055 1.00 0.78 O ATOM 0 H TYR A 11 -9.437 -7.941 -0.625 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.391 -5.960 0.198 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.217 -7.762 1.233 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.884 -7.911 1.753 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -9.336 -9.689 0.795 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -5.187 -9.426 -0.159 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -9.383 -12.003 -0.056 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -5.236 -11.740 -1.006 1.00 0.67 H new ATOM 0 HH TYR A 11 -6.445 -13.547 -1.374 1.00 0.78 H new ATOM 108 N VAL A 12 -5.641 -6.751 -1.499 1.00 0.34 N ATOM 109 CA VAL A 12 -4.788 -6.912 -2.670 1.00 0.34 C ATOM 110 C VAL A 12 -3.333 -6.688 -2.284 1.00 0.35 C ATOM 111 O VAL A 12 -3.045 -6.098 -1.243 1.00 0.51 O ATOM 112 CB VAL A 12 -5.197 -5.925 -3.762 1.00 0.38 C ATOM 113 CG1 VAL A 12 -4.985 -4.487 -3.298 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.425 -6.196 -5.049 1.00 0.81 C ATOM 0 H VAL A 12 -5.192 -6.268 -0.720 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.904 -7.926 -3.054 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.259 -6.063 -3.966 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.283 -3.801 -4.091 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.588 -4.299 -2.410 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -3.932 -4.333 -3.061 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.731 -5.482 -5.814 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.356 -6.091 -4.861 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.635 -7.209 -5.393 1.00 0.81 H new ATOM 124 N GLU A 13 -2.416 -7.163 -3.119 1.00 0.49 N ATOM 125 CA GLU A 13 -0.991 -7.011 -2.851 1.00 0.54 C ATOM 126 C GLU A 13 -0.240 -6.613 -4.114 1.00 0.50 C ATOM 127 O GLU A 13 -0.586 -7.043 -5.214 1.00 0.60 O ATOM 128 CB GLU A 13 -0.419 -8.314 -2.302 1.00 0.67 C ATOM 129 CG GLU A 13 -1.296 -8.894 -1.197 1.00 1.05 C ATOM 130 CD GLU A 13 -0.654 -10.148 -0.617 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.592 -10.198 -0.542 1.00 2.05 O ATOM 132 OE2 GLU A 13 -1.397 -11.077 -0.237 1.00 1.97 O ATOM 0 H GLU A 13 -2.633 -7.656 -3.985 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.867 -6.221 -2.110 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.325 -9.039 -3.110 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.584 -8.136 -1.915 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.439 -8.153 -0.410 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -2.283 -9.132 -1.594 1.00 1.05 H new ATOM 139 N ILE A 14 0.793 -5.793 -3.947 1.00 0.48 N ATOM 140 CA ILE A 14 1.600 -5.338 -5.073 1.00 0.49 C ATOM 141 C ILE A 14 3.056 -5.749 -4.885 1.00 0.48 C ATOM 142 O ILE A 14 3.651 -5.507 -3.831 1.00 0.43 O ATOM 143 CB ILE A 14 1.491 -3.823 -5.217 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.734 -3.132 -3.876 1.00 0.51 C ATOM 145 CG2 ILE A 14 0.130 -3.430 -5.781 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.856 -1.619 -4.039 1.00 0.63 C ATOM 0 H ILE A 14 1.091 -5.430 -3.042 1.00 0.48 H new ATOM 0 HA ILE A 14 1.225 -5.805 -5.983 1.00 0.49 H new ATOM 0 HB ILE A 14 2.260 -3.494 -5.916 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.915 -3.360 -3.194 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.644 -3.525 -3.423 1.00 0.51 H new ATOM 0 HG21 ILE A 14 0.075 -2.345 -5.875 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.003 -3.887 -6.762 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.656 -3.777 -5.110 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.028 -1.161 -3.065 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.692 -1.391 -4.700 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.935 -1.224 -4.468 1.00 0.63 H new ATOM 158 N ASN A 15 3.622 -6.380 -5.911 1.00 0.59 N ATOM 159 CA ASN A 15 5.006 -6.839 -5.870 1.00 0.62 C ATOM 160 C ASN A 15 5.971 -5.661 -5.935 1.00 0.60 C ATOM 161 O ASN A 15 5.858 -4.800 -6.807 1.00 0.78 O ATOM 162 CB ASN A 15 5.274 -7.787 -7.034 1.00 0.79 C ATOM 163 CG ASN A 15 6.357 -8.791 -6.662 1.00 1.31 C ATOM 164 OD1 ASN A 15 7.484 -8.413 -6.342 1.00 2.20 O ATOM 165 ND2 ASN A 15 6.016 -10.074 -6.705 1.00 1.54 N ATOM 0 H ASN A 15 3.139 -6.586 -6.786 1.00 0.59 H new ATOM 0 HA ASN A 15 5.164 -7.365 -4.928 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.358 -8.313 -7.301 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.582 -7.218 -7.911 1.00 0.79 H new ATOM 0 HD21 ASN A 15 6.700 -10.792 -6.467 1.00 1.54 H new ATOM 0 HD22 ASN A 15 5.070 -10.341 -6.976 1.00 1.54 H new ATOM 172 N ILE A 16 6.920 -5.631 -5.005 1.00 0.49 N ATOM 173 CA ILE A 16 7.911 -4.563 -4.949 1.00 0.49 C ATOM 174 C ILE A 16 9.245 -5.106 -4.449 1.00 0.56 C ATOM 175 O ILE A 16 9.286 -5.960 -3.563 1.00 0.66 O ATOM 176 CB ILE A 16 7.422 -3.448 -4.030 1.00 0.48 C ATOM 177 CG1 ILE A 16 6.092 -2.888 -4.530 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.461 -2.337 -3.922 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.512 -1.868 -3.557 1.00 0.84 C ATOM 0 H ILE A 16 7.023 -6.338 -4.277 1.00 0.49 H new ATOM 0 HA ILE A 16 8.052 -4.161 -5.952 1.00 0.49 H new ATOM 0 HB ILE A 16 7.270 -3.869 -3.036 1.00 0.48 H new ATOM 0 HG12 ILE A 16 6.236 -2.421 -5.504 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.382 -3.704 -4.669 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.089 -1.554 -3.261 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.388 -2.744 -3.517 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.650 -1.918 -4.910 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.566 -1.491 -3.946 1.00 0.84 H new ATOM 0 HD12 ILE A 16 5.344 -2.342 -2.590 1.00 0.84 H new ATOM 0 HD13 ILE A 16 6.211 -1.040 -3.438 1.00 0.84 H new ATOM 191 N ASP A 17 10.335 -4.610 -5.027 1.00 0.63 N ATOM 192 CA ASP A 17 11.673 -5.051 -4.647 1.00 0.75 C ATOM 193 C ASP A 17 12.253 -4.149 -3.559 1.00 1.00 C ATOM 194 O ASP A 17 13.389 -3.685 -3.660 1.00 1.75 O ATOM 195 CB ASP A 17 12.584 -5.051 -5.873 1.00 1.27 C ATOM 196 CG ASP A 17 12.885 -6.480 -6.309 1.00 1.63 C ATOM 197 OD1 ASP A 17 11.926 -7.244 -6.544 1.00 2.21 O ATOM 198 OD2 ASP A 17 14.079 -6.831 -6.415 1.00 2.16 O ATOM 0 H ASP A 17 10.318 -3.902 -5.761 1.00 0.63 H new ATOM 0 HA ASP A 17 11.606 -6.064 -4.249 1.00 0.75 H new ATOM 0 HB2 ASP A 17 12.107 -4.508 -6.689 1.00 1.27 H new ATOM 0 HB3 ASP A 17 13.514 -4.530 -5.644 1.00 1.27 H new ATOM 203 N HIS A 18 11.465 -3.907 -2.515 1.00 1.27 N ATOM 204 CA HIS A 18 11.892 -3.063 -1.398 1.00 1.85 C ATOM 205 C HIS A 18 12.590 -1.801 -1.895 1.00 1.32 C ATOM 206 O HIS A 18 13.498 -1.285 -1.245 1.00 2.00 O ATOM 207 CB HIS A 18 12.827 -3.846 -0.478 1.00 2.83 C ATOM 208 CG HIS A 18 14.134 -4.190 -1.124 1.00 3.48 C ATOM 209 ND1 HIS A 18 15.235 -3.375 -1.076 1.00 4.01 N ATOM 210 CD2 HIS A 18 14.533 -5.274 -1.838 1.00 4.16 C ATOM 211 CE1 HIS A 18 16.247 -3.914 -1.714 1.00 4.73 C ATOM 212 NE2 HIS A 18 15.854 -5.081 -2.195 1.00 4.84 N ATOM 0 H HIS A 18 10.523 -4.285 -2.417 1.00 1.27 H new ATOM 0 HA HIS A 18 11.003 -2.764 -0.842 1.00 1.85 H new ATOM 0 HB2 HIS A 18 13.016 -3.260 0.422 1.00 2.83 H new ATOM 0 HB3 HIS A 18 12.332 -4.764 -0.162 1.00 2.83 H new ATOM 0 HD1 HIS A 18 15.264 -2.470 -0.607 1.00 4.01 H new ATOM 0 HD2 HIS A 18 13.926 -6.133 -2.083 1.00 4.16 H new ATOM 0 HE1 HIS A 18 17.230 -3.480 -1.827 1.00 4.73 H new ATOM 220 N LYS A 19 12.157 -1.309 -3.051 1.00 0.82 N ATOM 221 CA LYS A 19 12.736 -0.106 -3.637 1.00 0.84 C ATOM 222 C LYS A 19 11.824 1.092 -3.402 1.00 0.77 C ATOM 223 O LYS A 19 12.279 2.236 -3.382 1.00 1.13 O ATOM 224 CB LYS A 19 12.955 -0.306 -5.133 1.00 1.47 C ATOM 225 CG LYS A 19 11.662 -0.693 -5.844 1.00 1.97 C ATOM 226 CD LYS A 19 11.677 -0.269 -7.308 1.00 2.72 C ATOM 227 CE LYS A 19 10.316 0.260 -7.753 1.00 3.37 C ATOM 228 NZ LYS A 19 9.624 -0.712 -8.644 1.00 4.03 N ATOM 0 H LYS A 19 11.406 -1.726 -3.601 1.00 0.82 H new ATOM 0 HA LYS A 19 13.696 0.086 -3.158 1.00 0.84 H new ATOM 0 HB2 LYS A 19 13.350 0.612 -5.569 1.00 1.47 H new ATOM 0 HB3 LYS A 19 13.704 -1.082 -5.291 1.00 1.47 H new ATOM 0 HG2 LYS A 19 11.519 -1.772 -5.779 1.00 1.97 H new ATOM 0 HG3 LYS A 19 10.815 -0.228 -5.339 1.00 1.97 H new ATOM 0 HD2 LYS A 19 12.434 0.501 -7.457 1.00 2.72 H new ATOM 0 HD3 LYS A 19 11.959 -1.118 -7.931 1.00 2.72 H new ATOM 0 HE2 LYS A 19 9.697 0.460 -6.878 1.00 3.37 H new ATOM 0 HE3 LYS A 19 10.445 1.208 -8.275 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 8.702 -0.325 -8.930 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 10.205 -0.883 -9.489 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 9.481 -1.608 -8.136 1.00 4.03 H new ATOM 242 N PHE A 20 10.534 0.820 -3.223 1.00 0.63 N ATOM 243 CA PHE A 20 9.552 1.850 -2.989 1.00 0.61 C ATOM 244 C PHE A 20 9.496 2.206 -1.520 1.00 0.62 C ATOM 245 O PHE A 20 9.593 3.372 -1.144 1.00 0.95 O ATOM 246 CB PHE A 20 8.196 1.316 -3.402 1.00 0.62 C ATOM 247 CG PHE A 20 7.818 1.644 -4.822 1.00 0.75 C ATOM 248 CD1 PHE A 20 8.086 2.897 -5.347 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.199 0.688 -5.607 1.00 0.96 C ATOM 250 CE1 PHE A 20 7.737 3.191 -6.653 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.850 0.981 -6.912 1.00 1.17 C ATOM 252 CZ PHE A 20 7.119 2.232 -7.436 1.00 1.19 C ATOM 0 H PHE A 20 10.150 -0.125 -3.238 1.00 0.63 H new ATOM 0 HA PHE A 20 9.820 2.738 -3.562 1.00 0.61 H new ATOM 0 HB2 PHE A 20 8.189 0.233 -3.275 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.438 1.721 -2.732 1.00 0.62 H new ATOM 0 HD1 PHE A 20 8.568 3.646 -4.736 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.988 -0.290 -5.199 1.00 0.96 H new ATOM 0 HE1 PHE A 20 7.947 4.169 -7.061 1.00 1.26 H new ATOM 0 HE2 PHE A 20 6.367 0.232 -7.523 1.00 1.17 H new ATOM 0 HZ PHE A 20 6.847 2.460 -8.456 1.00 1.19 H new ATOM 262 N HIS A 21 9.301 1.175 -0.702 1.00 0.53 N ATOM 263 CA HIS A 21 9.180 1.315 0.746 1.00 0.57 C ATOM 264 C HIS A 21 10.054 2.436 1.294 1.00 0.69 C ATOM 265 O HIS A 21 9.549 3.442 1.793 1.00 1.03 O ATOM 266 CB HIS A 21 9.552 0.004 1.426 1.00 0.54 C ATOM 267 CG HIS A 21 8.637 -1.125 1.055 1.00 0.47 C ATOM 268 ND1 HIS A 21 7.732 -1.265 0.051 1.00 0.48 N flip ATOM 269 CD2 HIS A 21 8.549 -2.291 1.771 1.00 0.44 C flip ATOM 270 CE1 HIS A 21 7.130 -2.499 0.193 1.00 0.45 C flip ATOM 271 NE2 HIS A 21 7.648 -3.094 1.252 1.00 0.42 N flip ATOM 0 H HIS A 21 9.222 0.212 -1.028 1.00 0.53 H new ATOM 0 HA HIS A 21 8.142 1.570 0.960 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.575 -0.261 1.159 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.531 0.142 2.507 1.00 0.54 H new ATOM 0 HD2 HIS A 21 9.141 -2.519 2.645 1.00 0.44 H new ATOM 0 HE1 HIS A 21 6.366 -2.908 -0.452 1.00 0.45 H new ATOM 0 HE2 HIS A 21 7.393 -4.016 1.605 1.00 0.42 H new ATOM 279 N ARG A 22 11.367 2.255 1.203 1.00 0.68 N ATOM 280 CA ARG A 22 12.319 3.246 1.697 1.00 0.80 C ATOM 281 C ARG A 22 11.903 4.662 1.300 1.00 0.81 C ATOM 282 O ARG A 22 12.214 5.629 1.996 1.00 0.92 O ATOM 283 CB ARG A 22 13.712 2.946 1.152 1.00 0.93 C ATOM 284 CG ARG A 22 14.531 2.113 2.133 1.00 1.64 C ATOM 285 CD ARG A 22 15.892 1.741 1.554 1.00 2.14 C ATOM 286 NE ARG A 22 15.833 0.429 0.922 1.00 2.73 N ATOM 287 CZ ARG A 22 16.557 -0.593 1.367 1.00 3.33 C ATOM 288 NH1 ARG A 22 16.463 -0.970 2.635 1.00 3.95 N ATOM 289 NH2 ARG A 22 17.373 -1.238 0.546 1.00 3.72 N ATOM 0 H ARG A 22 11.799 1.428 0.790 1.00 0.68 H new ATOM 0 HA ARG A 22 12.332 3.188 2.785 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.626 2.413 0.205 1.00 0.93 H new ATOM 0 HB3 ARG A 22 14.232 3.882 0.946 1.00 0.93 H new ATOM 0 HG2 ARG A 22 14.669 2.672 3.059 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.983 1.206 2.387 1.00 1.64 H new ATOM 0 HD2 ARG A 22 16.201 2.490 0.825 1.00 2.14 H new ATOM 0 HD3 ARG A 22 16.642 1.738 2.345 1.00 2.14 H new ATOM 0 HE ARG A 22 15.221 0.292 0.118 1.00 2.73 H new ATOM 0 HH11 ARG A 22 15.835 -0.476 3.269 1.00 3.95 H new ATOM 0 HH12 ARG A 22 17.019 -1.754 2.976 1.00 3.95 H new ATOM 0 HH21 ARG A 22 17.447 -0.950 -0.430 1.00 3.72 H new ATOM 0 HH22 ARG A 22 17.928 -2.022 0.890 1.00 3.72 H new ATOM 303 N HIS A 23 11.203 4.774 0.176 1.00 0.90 N ATOM 304 CA HIS A 23 10.746 6.066 -0.322 1.00 0.98 C ATOM 305 C HIS A 23 9.352 6.401 0.204 1.00 0.96 C ATOM 306 O HIS A 23 9.093 7.533 0.612 1.00 1.12 O ATOM 307 CB HIS A 23 10.730 6.055 -1.848 1.00 1.02 C ATOM 308 CG HIS A 23 11.304 7.299 -2.451 1.00 1.30 C ATOM 309 ND1 HIS A 23 11.468 8.468 -1.754 1.00 1.83 N ATOM 310 CD2 HIS A 23 11.760 7.571 -3.701 1.00 1.56 C ATOM 311 CE1 HIS A 23 11.988 9.401 -2.515 1.00 2.07 C ATOM 312 NE2 HIS A 23 12.182 8.888 -3.718 1.00 1.86 N ATOM 0 H HIS A 23 10.939 3.982 -0.409 1.00 0.90 H new ATOM 0 HA HIS A 23 11.437 6.830 0.034 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.293 5.192 -2.205 1.00 1.02 H new ATOM 0 HB3 HIS A 23 9.704 5.931 -2.194 1.00 1.02 H new ATOM 0 HD2 HIS A 23 11.788 6.882 -4.533 1.00 1.56 H new ATOM 0 HE1 HIS A 23 12.218 10.412 -2.212 1.00 2.07 H new ATOM 0 HE2 HIS A 23 12.575 9.379 -4.521 1.00 1.86 H new ATOM 320 N LEU A 24 8.453 5.419 0.186 1.00 0.86 N ATOM 321 CA LEU A 24 7.086 5.633 0.656 1.00 0.87 C ATOM 322 C LEU A 24 7.066 5.933 2.151 1.00 0.97 C ATOM 323 O LEU A 24 6.451 6.906 2.586 1.00 1.16 O ATOM 324 CB LEU A 24 6.212 4.410 0.364 1.00 0.73 C ATOM 325 CG LEU A 24 6.464 3.827 -1.027 1.00 0.76 C ATOM 326 CD1 LEU A 24 5.440 2.741 -1.343 1.00 0.72 C ATOM 327 CD2 LEU A 24 6.443 4.910 -2.107 1.00 1.25 C ATOM 0 H LEU A 24 8.644 4.474 -0.146 1.00 0.86 H new ATOM 0 HA LEU A 24 6.683 6.492 0.119 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.403 3.644 1.115 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.162 4.689 0.453 1.00 0.73 H new ATOM 0 HG LEU A 24 7.460 3.384 -1.023 1.00 0.76 H new ATOM 0 HD11 LEU A 24 5.633 2.337 -2.337 1.00 0.72 H new ATOM 0 HD12 LEU A 24 5.517 1.943 -0.605 1.00 0.72 H new ATOM 0 HD13 LEU A 24 4.437 3.167 -1.314 1.00 0.72 H new ATOM 0 HD21 LEU A 24 6.626 4.456 -3.081 1.00 1.25 H new ATOM 0 HD22 LEU A 24 5.469 5.400 -2.112 1.00 1.25 H new ATOM 0 HD23 LEU A 24 7.219 5.647 -1.899 1.00 1.25 H new ATOM 339 N ILE A 25 7.734 5.093 2.937 1.00 0.92 N ATOM 340 CA ILE A 25 7.779 5.279 4.384 1.00 1.10 C ATOM 341 C ILE A 25 8.733 6.408 4.760 1.00 1.41 C ATOM 342 O ILE A 25 8.622 6.990 5.839 1.00 1.91 O ATOM 343 CB ILE A 25 8.194 3.979 5.074 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.644 3.617 4.757 1.00 0.90 C ATOM 345 CG2 ILE A 25 7.267 2.838 4.679 1.00 1.06 C ATOM 346 CD1 ILE A 25 10.305 2.916 5.939 1.00 0.91 C ATOM 0 H ILE A 25 8.249 4.281 2.598 1.00 0.92 H new ATOM 0 HA ILE A 25 6.780 5.553 4.723 1.00 1.10 H new ATOM 0 HB ILE A 25 8.113 4.139 6.149 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.677 2.969 3.881 1.00 0.90 H new ATOM 0 HG13 ILE A 25 10.201 4.520 4.507 1.00 0.90 H new ATOM 0 HG21 ILE A 25 7.581 1.923 5.182 1.00 1.06 H new ATOM 0 HG22 ILE A 25 6.246 3.081 4.972 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.309 2.692 3.600 1.00 1.06 H new ATOM 0 HD11 ILE A 25 11.336 2.670 5.686 1.00 0.91 H new ATOM 0 HD12 ILE A 25 10.292 3.575 6.807 1.00 0.91 H new ATOM 0 HD13 ILE A 25 9.760 2.001 6.171 1.00 0.91 H new ATOM 358 N GLY A 26 9.670 6.715 3.869 1.00 1.49 N ATOM 359 CA GLY A 26 10.638 7.777 4.112 1.00 1.87 C ATOM 360 C GLY A 26 11.761 7.297 5.023 1.00 1.82 C ATOM 361 O GLY A 26 12.618 6.518 4.609 1.00 2.29 O ATOM 0 H GLY A 26 9.779 6.243 2.972 1.00 1.49 H new ATOM 0 HA2 GLY A 26 11.055 8.117 3.164 1.00 1.87 H new ATOM 0 HA3 GLY A 26 10.138 8.633 4.566 1.00 1.87 H new ATOM 365 N LYS A 27 11.753 7.770 6.265 1.00 1.86 N ATOM 366 CA LYS A 27 12.773 7.390 7.236 1.00 1.91 C ATOM 367 C LYS A 27 12.162 6.575 8.368 1.00 1.62 C ATOM 368 O LYS A 27 12.803 5.675 8.912 1.00 2.38 O ATOM 369 CB LYS A 27 13.446 8.638 7.800 1.00 2.21 C ATOM 370 CG LYS A 27 12.421 9.652 8.297 1.00 2.65 C ATOM 371 CD LYS A 27 13.093 10.901 8.859 1.00 3.30 C ATOM 372 CE LYS A 27 13.231 10.829 10.376 1.00 3.80 C ATOM 373 NZ LYS A 27 14.609 11.193 10.811 1.00 4.51 N ATOM 0 H LYS A 27 11.051 8.418 6.623 1.00 1.86 H new ATOM 0 HA LYS A 27 13.518 6.776 6.730 1.00 1.91 H new ATOM 0 HB2 LYS A 27 14.107 8.357 8.619 1.00 2.21 H new ATOM 0 HB3 LYS A 27 14.068 9.096 7.031 1.00 2.21 H new ATOM 0 HG2 LYS A 27 11.759 9.932 7.478 1.00 2.65 H new ATOM 0 HG3 LYS A 27 11.800 9.195 9.067 1.00 2.65 H new ATOM 0 HD2 LYS A 27 14.079 11.019 8.408 1.00 3.30 H new ATOM 0 HD3 LYS A 27 12.511 11.782 8.587 1.00 3.30 H new ATOM 0 HE2 LYS A 27 12.511 11.502 10.841 1.00 3.80 H new ATOM 0 HE3 LYS A 27 12.993 9.822 10.718 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 14.673 11.135 11.847 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 15.293 10.535 10.385 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 14.825 12.163 10.505 1.00 4.51 H new ATOM 387 N SER A 28 10.921 6.894 8.721 1.00 1.28 N ATOM 388 CA SER A 28 10.226 6.189 9.790 1.00 1.60 C ATOM 389 C SER A 28 8.746 6.041 9.465 1.00 1.60 C ATOM 390 O SER A 28 7.904 6.007 10.363 1.00 2.28 O ATOM 391 CB SER A 28 10.394 6.943 11.106 1.00 1.99 C ATOM 392 OG SER A 28 10.883 8.255 10.863 1.00 2.57 O ATOM 0 H SER A 28 10.377 7.636 8.282 1.00 1.28 H new ATOM 0 HA SER A 28 10.661 5.194 9.886 1.00 1.60 H new ATOM 0 HB2 SER A 28 9.439 6.994 11.628 1.00 1.99 H new ATOM 0 HB3 SER A 28 11.084 6.405 11.756 1.00 1.99 H new ATOM 0 HG SER A 28 10.250 8.740 10.293 1.00 2.57 H new ATOM 398 N GLY A 29 8.433 5.950 8.177 1.00 1.21 N ATOM 399 CA GLY A 29 7.052 5.803 7.732 1.00 1.23 C ATOM 400 C GLY A 29 6.233 7.040 8.068 1.00 1.36 C ATOM 401 O GLY A 29 6.520 7.743 9.038 1.00 2.05 O ATOM 0 H GLY A 29 9.118 5.976 7.422 1.00 1.21 H new ATOM 0 HA2 GLY A 29 7.030 5.630 6.656 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.606 4.928 8.205 1.00 1.23 H new ATOM 405 N ALA A 30 5.213 7.308 7.257 1.00 1.00 N ATOM 406 CA ALA A 30 4.353 8.466 7.465 1.00 1.10 C ATOM 407 C ALA A 30 3.290 8.552 6.376 1.00 1.06 C ATOM 408 O ALA A 30 2.094 8.584 6.665 1.00 1.43 O ATOM 409 CB ALA A 30 5.192 9.740 7.469 1.00 1.27 C ATOM 0 H ALA A 30 4.963 6.737 6.449 1.00 1.00 H new ATOM 0 HA ALA A 30 3.854 8.357 8.428 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.544 10.602 7.625 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.927 9.689 8.272 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.706 9.840 6.513 1.00 1.27 H new ATOM 415 N ASN A 31 3.735 8.593 5.124 1.00 0.73 N ATOM 416 CA ASN A 31 2.824 8.680 3.987 1.00 0.69 C ATOM 417 C ASN A 31 1.729 7.625 4.089 1.00 0.60 C ATOM 418 O ASN A 31 0.587 7.863 3.696 1.00 0.58 O ATOM 419 CB ASN A 31 3.597 8.495 2.685 1.00 0.71 C ATOM 420 CG ASN A 31 4.631 9.600 2.521 1.00 1.24 C ATOM 421 OD1 ASN A 31 4.688 10.535 3.320 1.00 1.91 O ATOM 422 ND2 ASN A 31 5.450 9.495 1.481 1.00 1.42 N ATOM 0 H ASN A 31 4.723 8.567 4.870 1.00 0.73 H new ATOM 0 HA ASN A 31 2.359 9.666 3.996 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.090 7.523 2.682 1.00 0.71 H new ATOM 0 HB3 ASN A 31 2.908 8.505 1.841 1.00 0.71 H new ATOM 0 HD21 ASN A 31 6.162 10.207 1.319 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.367 8.703 0.844 1.00 1.42 H new ATOM 429 N ILE A 32 2.084 6.458 4.617 1.00 0.58 N ATOM 430 CA ILE A 32 1.131 5.362 4.769 1.00 0.56 C ATOM 431 C ILE A 32 -0.153 5.849 5.431 1.00 0.52 C ATOM 432 O ILE A 32 -1.255 5.501 5.006 1.00 0.51 O ATOM 433 CB ILE A 32 1.753 4.244 5.600 1.00 0.63 C ATOM 434 CG1 ILE A 32 2.296 4.792 6.917 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.853 3.536 4.818 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.988 3.703 7.732 1.00 1.07 C ATOM 0 H ILE A 32 3.025 6.246 4.947 1.00 0.58 H new ATOM 0 HA ILE A 32 0.884 4.980 3.778 1.00 0.56 H new ATOM 0 HB ILE A 32 0.975 3.515 5.827 1.00 0.63 H new ATOM 0 HG12 ILE A 32 3.000 5.599 6.714 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.480 5.220 7.499 1.00 0.70 H new ATOM 0 HG21 ILE A 32 3.282 2.743 5.430 1.00 0.69 H new ATOM 0 HG22 ILE A 32 2.434 3.106 3.909 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.631 4.252 4.555 1.00 0.69 H new ATOM 0 HD11 ILE A 32 3.363 4.128 8.663 1.00 1.07 H new ATOM 0 HD12 ILE A 32 2.276 2.909 7.956 1.00 1.07 H new ATOM 0 HD13 ILE A 32 3.820 3.293 7.159 1.00 1.07 H new ATOM 448 N ASN A 33 -0.004 6.660 6.474 1.00 0.56 N ATOM 449 CA ASN A 33 -1.150 7.199 7.196 1.00 0.59 C ATOM 450 C ASN A 33 -1.951 8.134 6.300 1.00 0.54 C ATOM 451 O ASN A 33 -3.180 8.167 6.362 1.00 0.55 O ATOM 452 CB ASN A 33 -0.679 7.947 8.439 1.00 0.71 C ATOM 453 CG ASN A 33 -1.604 7.655 9.614 1.00 0.97 C ATOM 454 OD1 ASN A 33 -1.522 6.595 10.233 1.00 1.51 O ATOM 455 ND2 ASN A 33 -2.487 8.598 9.920 1.00 1.62 N ATOM 0 H ASN A 33 0.901 6.958 6.838 1.00 0.56 H new ATOM 0 HA ASN A 33 -1.791 6.371 7.499 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.340 7.649 8.687 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.659 9.019 8.241 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -3.134 8.459 10.697 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -2.519 9.462 9.379 1.00 1.62 H new ATOM 462 N ARG A 34 -1.248 8.893 5.467 1.00 0.55 N ATOM 463 CA ARG A 34 -1.892 9.830 4.557 1.00 0.56 C ATOM 464 C ARG A 34 -2.840 9.093 3.618 1.00 0.48 C ATOM 465 O ARG A 34 -3.918 9.591 3.294 1.00 0.48 O ATOM 466 CB ARG A 34 -0.838 10.581 3.750 1.00 0.65 C ATOM 467 CG ARG A 34 -0.817 12.066 4.101 1.00 0.89 C ATOM 468 CD ARG A 34 0.517 12.712 3.737 1.00 1.22 C ATOM 469 NE ARG A 34 0.341 14.141 3.505 1.00 1.69 N ATOM 470 CZ ARG A 34 1.022 15.050 4.195 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.290 15.299 3.894 1.00 2.78 N ATOM 472 NH2 ARG A 34 0.438 15.709 5.186 1.00 2.90 N ATOM 0 H ARG A 34 -0.230 8.877 5.404 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.469 10.545 5.144 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.144 10.147 3.940 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -1.039 10.461 2.686 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -1.624 12.576 3.575 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.003 12.191 5.168 1.00 0.89 H new ATOM 0 HD2 ARG A 34 1.237 12.553 4.540 1.00 1.22 H new ATOM 0 HD3 ARG A 34 0.926 12.239 2.844 1.00 1.22 H new ATOM 0 HE ARG A 34 -0.322 14.451 2.795 1.00 1.69 H new ATOM 0 HH11 ARG A 34 2.742 14.793 3.133 1.00 2.78 H new ATOM 0 HH12 ARG A 34 2.812 15.997 4.424 1.00 2.78 H new ATOM 0 HH21 ARG A 34 -0.536 15.519 5.421 1.00 2.90 H new ATOM 0 HH22 ARG A 34 0.963 16.406 5.714 1.00 2.90 H new ATOM 486 N ILE A 35 -2.435 7.902 3.187 1.00 0.45 N ATOM 487 CA ILE A 35 -3.253 7.094 2.291 1.00 0.40 C ATOM 488 C ILE A 35 -4.507 6.618 3.010 1.00 0.34 C ATOM 489 O ILE A 35 -5.622 7.004 2.658 1.00 0.34 O ATOM 490 CB ILE A 35 -2.449 5.899 1.790 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.132 6.361 1.172 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.256 5.083 0.786 1.00 0.40 C ATOM 493 CD1 ILE A 35 -1.364 7.302 -0.007 1.00 1.29 C ATOM 0 H ILE A 35 -1.545 7.476 3.444 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.550 7.704 1.438 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.224 5.259 2.643 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -0.532 6.866 1.929 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -0.562 5.494 0.839 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.661 4.236 0.443 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.166 4.718 1.262 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.518 5.711 -0.066 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -0.404 7.610 -0.421 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -1.942 6.788 -0.775 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -1.912 8.181 0.332 1.00 1.29 H new ATOM 505 N LYS A 36 -4.318 5.779 4.027 1.00 0.35 N ATOM 506 CA LYS A 36 -5.428 5.244 4.815 1.00 0.36 C ATOM 507 C LYS A 36 -6.459 6.326 5.122 1.00 0.39 C ATOM 508 O LYS A 36 -7.643 6.038 5.276 1.00 0.51 O ATOM 509 CB LYS A 36 -4.900 4.661 6.121 1.00 0.44 C ATOM 510 CG LYS A 36 -3.921 3.518 5.873 1.00 1.09 C ATOM 511 CD LYS A 36 -3.604 2.763 7.160 1.00 1.41 C ATOM 512 CE LYS A 36 -2.102 2.562 7.338 1.00 2.17 C ATOM 513 NZ LYS A 36 -1.809 1.272 8.024 1.00 2.76 N ATOM 0 H LYS A 36 -3.399 5.453 4.327 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.913 4.463 4.229 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -4.407 5.444 6.696 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -5.735 4.301 6.723 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -4.342 2.829 5.141 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -2.999 3.913 5.446 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.002 3.313 8.013 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -4.102 1.794 7.146 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -1.612 2.579 6.364 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -1.688 3.387 7.917 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -1.143 1.438 8.805 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -2.691 0.871 8.401 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -1.388 0.606 7.345 1.00 2.76 H new ATOM 527 N ASP A 37 -6.003 7.571 5.213 1.00 0.40 N ATOM 528 CA ASP A 37 -6.885 8.690 5.500 1.00 0.45 C ATOM 529 C ASP A 37 -7.447 9.266 4.207 1.00 0.44 C ATOM 530 O ASP A 37 -8.599 9.695 4.154 1.00 0.60 O ATOM 531 CB ASP A 37 -6.114 9.765 6.250 1.00 0.51 C ATOM 532 CG ASP A 37 -6.876 10.192 7.498 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.870 10.937 7.362 1.00 1.56 O ATOM 534 OD2 ASP A 37 -6.477 9.783 8.608 1.00 1.37 O ATOM 0 H ASP A 37 -5.023 7.828 5.091 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.714 8.339 6.115 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.130 9.388 6.528 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.954 10.626 5.601 1.00 0.51 H new ATOM 539 N GLN A 38 -6.620 9.277 3.169 1.00 0.41 N ATOM 540 CA GLN A 38 -7.020 9.804 1.870 1.00 0.46 C ATOM 541 C GLN A 38 -8.008 8.877 1.174 1.00 0.42 C ATOM 542 O GLN A 38 -9.139 9.268 0.884 1.00 0.68 O ATOM 543 CB GLN A 38 -5.798 10.000 0.989 1.00 0.54 C ATOM 544 CG GLN A 38 -6.105 10.934 -0.175 1.00 0.65 C ATOM 545 CD GLN A 38 -6.637 12.268 0.331 1.00 1.05 C ATOM 546 OE1 GLN A 38 -7.828 12.559 0.212 1.00 1.65 O ATOM 547 NE2 GLN A 38 -5.754 13.083 0.896 1.00 1.66 N ATOM 0 H GLN A 38 -5.663 8.925 3.202 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.510 10.763 2.036 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -4.980 10.410 1.582 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.463 9.036 0.607 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.203 11.097 -0.765 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.838 10.471 -0.835 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -4.777 12.801 0.974 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -6.053 13.991 1.252 1.00 1.66 H new ATOM 556 N TYR A 39 -7.570 7.657 0.887 1.00 0.34 N ATOM 557 CA TYR A 39 -8.413 6.683 0.199 1.00 0.34 C ATOM 558 C TYR A 39 -9.200 5.815 1.177 1.00 0.30 C ATOM 559 O TYR A 39 -9.807 4.823 0.774 1.00 0.32 O ATOM 560 CB TYR A 39 -7.550 5.801 -0.695 1.00 0.39 C ATOM 561 CG TYR A 39 -6.827 6.582 -1.765 1.00 0.46 C ATOM 562 CD1 TYR A 39 -7.486 6.937 -2.930 1.00 0.64 C ATOM 563 CD2 TYR A 39 -5.505 6.949 -1.585 1.00 0.53 C ATOM 564 CE1 TYR A 39 -6.824 7.657 -3.909 1.00 0.73 C ATOM 565 CE2 TYR A 39 -4.845 7.669 -2.565 1.00 0.62 C ATOM 566 CZ TYR A 39 -5.508 8.019 -3.723 1.00 0.66 C ATOM 567 OH TYR A 39 -4.850 8.734 -4.698 1.00 0.77 O ATOM 0 H TYR A 39 -6.637 7.317 1.119 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.134 7.235 -0.404 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.820 5.273 -0.081 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.178 5.044 -1.166 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -8.518 6.652 -3.075 1.00 0.64 H new ATOM 0 HD2 TYR A 39 -4.988 6.673 -0.678 1.00 0.53 H new ATOM 0 HE1 TYR A 39 -7.338 7.935 -4.817 1.00 0.73 H new ATOM 0 HE2 TYR A 39 -3.814 7.956 -2.424 1.00 0.62 H new ATOM 0 HH TYR A 39 -3.930 8.909 -4.410 1.00 0.77 H new ATOM 577 N LYS A 40 -9.200 6.180 2.460 1.00 0.28 N ATOM 578 CA LYS A 40 -9.928 5.411 3.471 1.00 0.31 C ATOM 579 C LYS A 40 -9.632 3.923 3.321 1.00 0.29 C ATOM 580 O LYS A 40 -10.545 3.111 3.161 1.00 0.39 O ATOM 581 CB LYS A 40 -11.428 5.658 3.329 1.00 0.38 C ATOM 582 CG LYS A 40 -11.841 6.986 3.957 1.00 0.86 C ATOM 583 CD LYS A 40 -12.193 6.827 5.433 1.00 1.29 C ATOM 584 CE LYS A 40 -12.624 8.154 6.055 1.00 1.88 C ATOM 585 NZ LYS A 40 -14.099 8.340 5.967 1.00 2.56 N ATOM 0 H LYS A 40 -8.708 6.997 2.822 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.602 5.735 4.459 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.700 5.654 2.273 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.978 4.844 3.803 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.030 7.706 3.852 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -12.699 7.391 3.420 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -12.995 6.097 5.540 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -11.331 6.434 5.973 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -12.313 8.186 7.099 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -12.121 8.977 5.547 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.360 9.250 6.398 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -14.391 8.333 4.969 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -14.577 7.567 6.473 1.00 2.56 H new ATOM 599 N VAL A 41 -8.349 3.574 3.351 1.00 0.23 N ATOM 600 CA VAL A 41 -7.928 2.187 3.196 1.00 0.23 C ATOM 601 C VAL A 41 -6.895 1.801 4.247 1.00 0.27 C ATOM 602 O VAL A 41 -6.585 2.583 5.146 1.00 0.33 O ATOM 603 CB VAL A 41 -7.344 1.997 1.801 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.444 2.069 0.751 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.270 3.043 1.521 1.00 0.23 C ATOM 0 H VAL A 41 -7.583 4.234 3.481 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.797 1.542 3.330 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.882 1.011 1.753 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -8.011 1.932 -0.240 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.178 1.285 0.938 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.932 3.042 0.802 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.866 2.890 0.520 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.706 4.040 1.588 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.469 2.948 2.254 1.00 0.23 H new ATOM 615 N SER A 42 -6.364 0.587 4.126 1.00 0.29 N ATOM 616 CA SER A 42 -5.362 0.089 5.061 1.00 0.34 C ATOM 617 C SER A 42 -4.136 -0.413 4.311 1.00 0.30 C ATOM 618 O SER A 42 -4.080 -1.571 3.896 1.00 0.36 O ATOM 619 CB SER A 42 -5.951 -1.037 5.904 1.00 0.43 C ATOM 620 OG SER A 42 -5.220 -1.180 7.114 1.00 0.93 O ATOM 0 H SER A 42 -6.613 -0.071 3.387 1.00 0.29 H new ATOM 0 HA SER A 42 -5.060 0.907 5.715 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.997 -0.826 6.126 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.926 -1.971 5.343 1.00 0.43 H new ATOM 0 HG SER A 42 -5.609 -1.905 7.647 1.00 0.93 H new ATOM 626 N VAL A 43 -3.154 0.465 4.141 1.00 0.33 N ATOM 627 CA VAL A 43 -1.923 0.116 3.441 1.00 0.34 C ATOM 628 C VAL A 43 -0.839 -0.270 4.439 1.00 0.35 C ATOM 629 O VAL A 43 -0.739 0.317 5.517 1.00 0.55 O ATOM 630 CB VAL A 43 -1.456 1.296 2.594 1.00 0.49 C ATOM 631 CG1 VAL A 43 -1.120 2.492 3.481 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.256 0.906 1.735 1.00 0.54 C ATOM 0 H VAL A 43 -3.187 1.427 4.479 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.118 -0.736 2.790 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.270 1.581 1.927 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -0.789 3.324 2.860 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -2.006 2.789 4.043 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.325 2.218 4.175 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.059 1.763 1.140 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.565 0.589 2.379 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.534 0.087 1.072 1.00 0.54 H new ATOM 642 N ARG A 44 -0.029 -1.261 4.080 1.00 0.31 N ATOM 643 CA ARG A 44 1.044 -1.723 4.953 1.00 0.42 C ATOM 644 C ARG A 44 2.303 -2.033 4.152 1.00 0.40 C ATOM 645 O ARG A 44 2.280 -2.857 3.238 1.00 0.41 O ATOM 646 CB ARG A 44 0.596 -2.966 5.714 1.00 0.52 C ATOM 647 CG ARG A 44 -0.507 -2.642 6.717 1.00 0.78 C ATOM 648 CD ARG A 44 -1.601 -3.707 6.713 1.00 1.05 C ATOM 649 NE ARG A 44 -1.121 -4.933 7.341 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.377 -5.213 8.614 1.00 1.74 C ATOM 651 NH1 ARG A 44 -2.555 -5.714 8.962 1.00 2.28 N ATOM 652 NH2 ARG A 44 -0.455 -4.993 9.541 1.00 2.27 N ATOM 0 H ARG A 44 -0.095 -1.759 3.192 1.00 0.31 H new ATOM 0 HA ARG A 44 1.275 -0.927 5.662 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.239 -3.716 5.009 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.448 -3.400 6.237 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -0.079 -2.563 7.716 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -0.942 -1.671 6.479 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.478 -3.338 7.245 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.912 -3.913 5.689 1.00 1.05 H new ATOM 0 HE ARG A 44 -0.574 -5.593 6.788 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -3.266 -5.885 8.251 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -2.749 -5.928 9.940 1.00 2.28 H new ATOM 0 HH21 ARG A 44 0.452 -4.608 9.277 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -0.653 -5.208 10.518 1.00 2.27 H new ATOM 666 N ILE A 45 3.400 -1.372 4.510 1.00 0.46 N ATOM 667 CA ILE A 45 4.683 -1.572 3.841 1.00 0.47 C ATOM 668 C ILE A 45 5.502 -2.623 4.603 1.00 0.53 C ATOM 669 O ILE A 45 6.020 -2.349 5.685 1.00 0.64 O ATOM 670 CB ILE A 45 5.425 -0.223 3.760 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.862 0.626 2.611 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.944 -0.391 3.615 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.431 0.219 1.246 1.00 0.56 C ATOM 0 H ILE A 45 3.426 -0.688 5.266 1.00 0.46 H new ATOM 0 HA ILE A 45 4.529 -1.940 2.827 1.00 0.47 H new ATOM 0 HB ILE A 45 5.256 0.293 4.705 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.776 0.531 2.591 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.087 1.676 2.796 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.415 0.590 3.563 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.334 -0.935 4.475 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.163 -0.948 2.704 1.00 0.60 H new ATOM 0 HD11 ILE A 45 5.000 0.851 0.469 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.514 0.340 1.253 1.00 0.56 H new ATOM 0 HD13 ILE A 45 5.184 -0.823 1.045 1.00 0.56 H new ATOM 685 N PRO A 46 5.626 -3.845 4.049 1.00 0.48 N ATOM 686 CA PRO A 46 6.381 -4.928 4.691 1.00 0.58 C ATOM 687 C PRO A 46 7.890 -4.768 4.514 1.00 0.61 C ATOM 688 O PRO A 46 8.399 -4.822 3.395 1.00 0.56 O ATOM 689 CB PRO A 46 5.877 -6.181 3.982 1.00 0.57 C ATOM 690 CG PRO A 46 5.395 -5.722 2.647 1.00 0.47 C ATOM 691 CD PRO A 46 5.037 -4.267 2.768 1.00 0.41 C ATOM 0 HA PRO A 46 6.229 -4.950 5.770 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.672 -6.919 3.879 1.00 0.57 H new ATOM 0 HB3 PRO A 46 5.074 -6.654 4.547 1.00 0.57 H new ATOM 0 HG2 PRO A 46 6.167 -5.865 1.891 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.529 -6.304 2.332 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.441 -3.689 1.937 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.957 -4.123 2.762 1.00 0.41 H new ATOM 699 N PRO A 47 8.634 -4.571 5.619 1.00 0.74 N ATOM 700 CA PRO A 47 10.092 -4.411 5.563 1.00 0.81 C ATOM 701 C PRO A 47 10.800 -5.733 5.280 1.00 0.87 C ATOM 702 O PRO A 47 11.664 -5.811 4.406 1.00 1.53 O ATOM 703 CB PRO A 47 10.449 -3.876 6.946 1.00 0.98 C ATOM 704 CG PRO A 47 9.354 -4.343 7.845 1.00 1.03 C ATOM 705 CD PRO A 47 8.117 -4.496 6.997 1.00 0.85 C ATOM 0 HA PRO A 47 10.406 -3.748 4.757 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.417 -4.254 7.276 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.517 -2.788 6.941 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.619 -5.291 8.314 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.184 -3.626 8.648 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.560 -5.394 7.263 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.440 -3.651 7.123 1.00 0.85 H new ATOM 713 N ASP A 48 10.427 -6.770 6.023 1.00 1.32 N ATOM 714 CA ASP A 48 11.020 -8.091 5.853 1.00 1.46 C ATOM 715 C ASP A 48 12.540 -8.014 5.926 1.00 1.48 C ATOM 716 O ASP A 48 13.101 -7.014 6.372 1.00 2.18 O ATOM 717 CB ASP A 48 10.594 -8.686 4.514 1.00 2.16 C ATOM 718 CG ASP A 48 10.201 -10.146 4.685 1.00 2.56 C ATOM 719 OD1 ASP A 48 9.317 -10.432 5.521 1.00 3.01 O ATOM 720 OD2 ASP A 48 10.778 -11.004 3.985 1.00 3.03 O ATOM 0 H ASP A 48 9.714 -6.720 6.751 1.00 1.32 H new ATOM 0 HA ASP A 48 10.667 -8.733 6.660 1.00 1.46 H new ATOM 0 HB2 ASP A 48 9.754 -8.122 4.108 1.00 2.16 H new ATOM 0 HB3 ASP A 48 11.410 -8.604 3.796 1.00 2.16 H new ATOM 725 N SER A 49 13.202 -9.080 5.485 1.00 1.59 N ATOM 726 CA SER A 49 14.659 -9.138 5.500 1.00 2.11 C ATOM 727 C SER A 49 15.186 -9.734 4.201 1.00 1.90 C ATOM 728 O SER A 49 15.348 -10.949 4.085 1.00 2.33 O ATOM 729 CB SER A 49 15.134 -9.976 6.684 1.00 3.03 C ATOM 730 OG SER A 49 15.106 -9.211 7.878 1.00 3.81 O ATOM 0 H SER A 49 12.751 -9.916 5.113 1.00 1.59 H new ATOM 0 HA SER A 49 15.044 -8.123 5.598 1.00 2.11 H new ATOM 0 HB2 SER A 49 14.498 -10.855 6.793 1.00 3.03 H new ATOM 0 HB3 SER A 49 16.146 -10.336 6.499 1.00 3.03 H new ATOM 0 HG SER A 49 15.412 -9.763 8.628 1.00 3.81 H new ATOM 736 N GLU A 50 15.456 -8.871 3.227 1.00 1.92 N ATOM 737 CA GLU A 50 15.968 -9.308 1.933 1.00 2.27 C ATOM 738 C GLU A 50 15.073 -10.388 1.338 1.00 2.09 C ATOM 739 O GLU A 50 15.398 -11.575 1.388 1.00 2.74 O ATOM 740 CB GLU A 50 17.390 -9.840 2.087 1.00 3.06 C ATOM 741 CG GLU A 50 18.426 -8.790 1.691 1.00 3.83 C ATOM 742 CD GLU A 50 17.860 -7.390 1.885 1.00 4.43 C ATOM 743 OE1 GLU A 50 17.152 -6.903 0.978 1.00 4.97 O ATOM 744 OE2 GLU A 50 18.126 -6.781 2.942 1.00 4.75 O ATOM 0 H GLU A 50 15.328 -7.862 3.310 1.00 1.92 H new ATOM 0 HA GLU A 50 15.975 -8.452 1.258 1.00 2.27 H new ATOM 0 HB2 GLU A 50 17.556 -10.145 3.120 1.00 3.06 H new ATOM 0 HB3 GLU A 50 17.516 -10.729 1.469 1.00 3.06 H new ATOM 0 HG2 GLU A 50 19.326 -8.912 2.293 1.00 3.83 H new ATOM 0 HG3 GLU A 50 18.717 -8.931 0.650 1.00 3.83 H new ATOM 751 N LYS A 51 13.946 -9.968 0.773 1.00 1.76 N ATOM 752 CA LYS A 51 12.999 -10.895 0.163 1.00 1.77 C ATOM 753 C LYS A 51 11.934 -10.131 -0.611 1.00 1.55 C ATOM 754 O LYS A 51 11.711 -8.945 -0.370 1.00 2.20 O ATOM 755 CB LYS A 51 12.343 -11.755 1.240 1.00 2.14 C ATOM 756 CG LYS A 51 12.970 -13.145 1.310 1.00 2.60 C ATOM 757 CD LYS A 51 11.976 -14.184 1.822 1.00 3.36 C ATOM 758 CE LYS A 51 12.550 -14.983 2.989 1.00 4.12 C ATOM 759 NZ LYS A 51 13.722 -15.797 2.562 1.00 4.81 N ATOM 0 H LYS A 51 13.665 -8.989 0.725 1.00 1.76 H new ATOM 0 HA LYS A 51 13.539 -11.541 -0.529 1.00 1.77 H new ATOM 0 HB2 LYS A 51 12.439 -11.263 2.208 1.00 2.14 H new ATOM 0 HB3 LYS A 51 11.277 -11.846 1.034 1.00 2.14 H new ATOM 0 HG2 LYS A 51 13.324 -13.435 0.321 1.00 2.60 H new ATOM 0 HG3 LYS A 51 13.841 -13.120 1.965 1.00 2.60 H new ATOM 0 HD2 LYS A 51 11.059 -13.687 2.137 1.00 3.36 H new ATOM 0 HD3 LYS A 51 11.709 -14.863 1.012 1.00 3.36 H new ATOM 0 HE2 LYS A 51 12.848 -14.303 3.787 1.00 4.12 H new ATOM 0 HE3 LYS A 51 11.780 -15.637 3.399 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 14.069 -16.355 3.368 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 13.438 -16.438 1.794 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 14.478 -15.167 2.225 1.00 4.81 H new ATOM 773 N SER A 52 11.278 -10.816 -1.543 1.00 1.19 N ATOM 774 CA SER A 52 10.234 -10.197 -2.353 1.00 1.04 C ATOM 775 C SER A 52 9.217 -9.492 -1.464 1.00 0.92 C ATOM 776 O SER A 52 8.479 -10.135 -0.717 1.00 1.19 O ATOM 777 CB SER A 52 9.536 -11.255 -3.203 1.00 1.25 C ATOM 778 OG SER A 52 8.522 -10.665 -4.001 1.00 2.03 O ATOM 0 H SER A 52 11.451 -11.799 -1.756 1.00 1.19 H new ATOM 0 HA SER A 52 10.696 -9.459 -3.009 1.00 1.04 H new ATOM 0 HB2 SER A 52 10.264 -11.755 -3.842 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.101 -12.018 -2.558 1.00 1.25 H new ATOM 0 HG SER A 52 8.086 -11.357 -4.540 1.00 2.03 H new ATOM 784 N ASN A 53 9.187 -8.166 -1.545 1.00 0.68 N ATOM 785 CA ASN A 53 8.266 -7.371 -0.744 1.00 0.61 C ATOM 786 C ASN A 53 6.925 -7.223 -1.447 1.00 0.59 C ATOM 787 O ASN A 53 6.844 -6.664 -2.541 1.00 0.99 O ATOM 788 CB ASN A 53 8.863 -5.993 -0.485 1.00 0.60 C ATOM 789 CG ASN A 53 10.314 -6.119 -0.038 1.00 0.89 C ATOM 790 OD1 ASN A 53 11.181 -6.522 -0.813 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.577 -5.775 1.217 1.00 1.28 N ATOM 0 H ASN A 53 9.791 -7.619 -2.159 1.00 0.68 H new ATOM 0 HA ASN A 53 8.105 -7.884 0.204 1.00 0.61 H new ATOM 0 HB2 ASN A 53 8.806 -5.389 -1.390 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.284 -5.476 0.280 1.00 0.60 H new ATOM 0 HD21 ASN A 53 11.530 -5.840 1.574 1.00 1.28 H new ATOM 0 HD22 ASN A 53 9.826 -5.446 1.824 1.00 1.28 H new ATOM 798 N LEU A 54 5.871 -7.713 -0.807 1.00 0.55 N ATOM 799 CA LEU A 54 4.526 -7.626 -1.362 1.00 0.51 C ATOM 800 C LEU A 54 3.647 -6.785 -0.447 1.00 0.44 C ATOM 801 O LEU A 54 3.078 -7.294 0.518 1.00 0.57 O ATOM 802 CB LEU A 54 3.928 -9.022 -1.517 1.00 0.65 C ATOM 803 CG LEU A 54 4.220 -9.609 -2.895 1.00 0.82 C ATOM 804 CD1 LEU A 54 4.156 -11.133 -2.855 1.00 1.49 C ATOM 805 CD2 LEU A 54 3.248 -9.057 -3.935 1.00 1.49 C ATOM 0 H LEU A 54 5.922 -8.176 0.100 1.00 0.55 H new ATOM 0 HA LEU A 54 4.578 -7.156 -2.344 1.00 0.51 H new ATOM 0 HB2 LEU A 54 4.333 -9.679 -0.748 1.00 0.65 H new ATOM 0 HB3 LEU A 54 2.850 -8.976 -1.362 1.00 0.65 H new ATOM 0 HG LEU A 54 5.230 -9.316 -3.183 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.367 -11.532 -3.847 1.00 1.49 H new ATOM 0 HD12 LEU A 54 4.895 -11.510 -2.148 1.00 1.49 H new ATOM 0 HD13 LEU A 54 3.160 -11.447 -2.542 1.00 1.49 H new ATOM 0 HD21 LEU A 54 3.474 -9.489 -4.910 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.227 -9.315 -3.652 1.00 1.49 H new ATOM 0 HD23 LEU A 54 3.347 -7.973 -3.987 1.00 1.49 H new ATOM 817 N ILE A 55 3.543 -5.493 -0.749 1.00 0.31 N ATOM 818 CA ILE A 55 2.735 -4.592 0.064 1.00 0.26 C ATOM 819 C ILE A 55 1.308 -5.111 0.169 1.00 0.27 C ATOM 820 O ILE A 55 0.791 -5.727 -0.763 1.00 0.34 O ATOM 821 CB ILE A 55 2.738 -3.186 -0.532 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.169 -2.646 -0.633 1.00 0.31 C ATOM 823 CG2 ILE A 55 1.864 -2.252 0.301 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.196 -1.168 -1.023 1.00 0.35 C ATOM 0 H ILE A 55 4.004 -5.051 -1.544 1.00 0.31 H new ATOM 0 HA ILE A 55 3.169 -4.548 1.063 1.00 0.26 H new ATOM 0 HB ILE A 55 2.323 -3.236 -1.539 1.00 0.27 H new ATOM 0 HG12 ILE A 55 4.675 -2.778 0.323 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.724 -3.226 -1.370 1.00 0.31 H new ATOM 0 HG21 ILE A 55 1.877 -1.254 -0.137 1.00 0.31 H new ATOM 0 HG22 ILE A 55 0.841 -2.628 0.316 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.249 -2.206 1.320 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.229 -0.826 -1.083 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.714 -1.039 -1.992 1.00 0.35 H new ATOM 0 HD13 ILE A 55 3.664 -0.584 -0.272 1.00 0.35 H new ATOM 836 N ARG A 56 0.678 -4.863 1.313 1.00 0.29 N ATOM 837 CA ARG A 56 -0.689 -5.312 1.544 1.00 0.32 C ATOM 838 C ARG A 56 -1.652 -4.133 1.550 1.00 0.29 C ATOM 839 O ARG A 56 -1.626 -3.299 2.455 1.00 0.42 O ATOM 840 CB ARG A 56 -0.777 -6.055 2.873 1.00 0.42 C ATOM 841 CG ARG A 56 0.206 -7.221 2.929 1.00 0.55 C ATOM 842 CD ARG A 56 1.130 -7.116 4.139 1.00 0.84 C ATOM 843 NE ARG A 56 1.458 -8.442 4.647 1.00 1.44 N ATOM 844 CZ ARG A 56 2.541 -8.656 5.386 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.924 -7.757 6.281 1.00 2.19 N ATOM 846 NH2 ARG A 56 3.241 -9.771 5.230 1.00 2.33 N ATOM 0 H ARG A 56 1.093 -4.354 2.094 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.969 -5.985 0.734 1.00 0.32 H new ATOM 0 HB2 ARG A 56 -0.571 -5.365 3.691 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.792 -6.426 3.017 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.345 -8.161 2.971 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.801 -7.241 2.016 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.044 -6.590 3.862 1.00 0.84 H new ATOM 0 HD3 ARG A 56 0.649 -6.529 4.921 1.00 0.84 H new ATOM 0 HE ARG A 56 0.841 -9.225 4.430 1.00 1.44 H new ATOM 0 HH11 ARG A 56 2.387 -6.899 6.404 1.00 2.19 H new ATOM 0 HH12 ARG A 56 3.756 -7.923 6.847 1.00 2.19 H new ATOM 0 HH21 ARG A 56 2.948 -10.465 4.542 1.00 2.33 H new ATOM 0 HH22 ARG A 56 4.072 -9.935 5.798 1.00 2.33 H new ATOM 860 N ILE A 57 -2.511 -4.077 0.537 1.00 0.24 N ATOM 861 CA ILE A 57 -3.499 -3.010 0.424 1.00 0.24 C ATOM 862 C ILE A 57 -4.897 -3.591 0.559 1.00 0.26 C ATOM 863 O ILE A 57 -5.308 -4.420 -0.250 1.00 0.40 O ATOM 864 CB ILE A 57 -3.377 -2.288 -0.919 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.925 -2.206 -1.385 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.986 -0.894 -0.830 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.443 -3.534 -1.957 1.00 1.32 C ATOM 0 H ILE A 57 -2.543 -4.760 -0.220 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.317 -2.290 1.222 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.929 -2.869 -1.658 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.829 -1.427 -2.141 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.289 -1.918 -0.548 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.891 -0.393 -1.794 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.040 -0.974 -0.565 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.463 -0.316 -0.068 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.406 -3.437 -2.278 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.515 -4.307 -1.192 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -2.063 -3.809 -2.811 1.00 1.32 H new ATOM 879 N GLU A 58 -5.628 -3.166 1.582 1.00 0.23 N ATOM 880 CA GLU A 58 -6.979 -3.668 1.802 1.00 0.25 C ATOM 881 C GLU A 58 -7.900 -2.561 2.289 1.00 0.24 C ATOM 882 O GLU A 58 -7.512 -1.717 3.096 1.00 0.26 O ATOM 883 CB GLU A 58 -6.951 -4.806 2.818 1.00 0.32 C ATOM 884 CG GLU A 58 -8.352 -5.343 3.099 1.00 0.37 C ATOM 885 CD GLU A 58 -8.786 -4.977 4.512 1.00 0.82 C ATOM 886 OE1 GLU A 58 -8.100 -5.390 5.471 1.00 1.47 O ATOM 887 OE2 GLU A 58 -9.811 -4.280 4.658 1.00 1.56 O ATOM 0 H GLU A 58 -5.312 -2.480 2.268 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.364 -4.039 0.852 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.320 -5.612 2.445 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.502 -4.454 3.747 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -9.058 -4.932 2.377 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.365 -6.426 2.977 1.00 0.37 H new ATOM 894 N GLY A 59 -9.126 -2.579 1.784 1.00 0.25 N ATOM 895 CA GLY A 59 -10.130 -1.591 2.145 1.00 0.27 C ATOM 896 C GLY A 59 -11.518 -2.145 1.874 1.00 0.39 C ATOM 897 O GLY A 59 -11.894 -3.188 2.410 1.00 0.59 O ATOM 0 H GLY A 59 -9.451 -3.277 1.115 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -10.033 -1.328 3.198 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.975 -0.676 1.573 1.00 0.27 H new ATOM 901 N ASP A 60 -12.276 -1.461 1.026 1.00 0.53 N ATOM 902 CA ASP A 60 -13.616 -1.918 0.686 1.00 0.70 C ATOM 903 C ASP A 60 -14.140 -1.216 -0.560 1.00 0.59 C ATOM 904 O ASP A 60 -14.348 -1.851 -1.595 1.00 1.04 O ATOM 905 CB ASP A 60 -14.565 -1.693 1.859 1.00 1.22 C ATOM 906 CG ASP A 60 -14.754 -2.985 2.643 1.00 1.93 C ATOM 907 OD1 ASP A 60 -14.648 -4.072 2.035 1.00 2.66 O ATOM 908 OD2 ASP A 60 -15.008 -2.909 3.864 1.00 2.31 O ATOM 0 H ASP A 60 -11.989 -0.597 0.566 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.563 -2.986 0.473 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -14.167 -0.918 2.514 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.528 -1.338 1.493 1.00 1.22 H new ATOM 913 N PRO A 61 -14.365 0.104 -0.486 1.00 0.72 N ATOM 914 CA PRO A 61 -14.869 0.871 -1.629 1.00 1.14 C ATOM 915 C PRO A 61 -13.807 1.036 -2.707 1.00 0.88 C ATOM 916 O PRO A 61 -12.792 0.340 -2.702 1.00 1.22 O ATOM 917 CB PRO A 61 -15.254 2.216 -1.018 1.00 1.82 C ATOM 918 CG PRO A 61 -14.412 2.344 0.205 1.00 1.82 C ATOM 919 CD PRO A 61 -14.145 0.949 0.702 1.00 1.17 C ATOM 0 HA PRO A 61 -15.703 0.378 -2.128 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.065 3.033 -1.714 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.315 2.247 -0.771 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.478 2.858 -0.022 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.924 2.933 0.966 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -13.129 0.848 1.082 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.818 0.678 1.515 1.00 1.17 H new ATOM 927 N GLN A 62 -14.040 1.965 -3.626 1.00 0.64 N ATOM 928 CA GLN A 62 -13.097 2.225 -4.705 1.00 0.47 C ATOM 929 C GLN A 62 -11.772 2.755 -4.159 1.00 0.41 C ATOM 930 O GLN A 62 -10.779 2.819 -4.883 1.00 0.47 O ATOM 931 CB GLN A 62 -13.693 3.237 -5.679 1.00 0.69 C ATOM 932 CG GLN A 62 -14.890 2.660 -6.428 1.00 0.85 C ATOM 933 CD GLN A 62 -15.253 3.551 -7.609 1.00 1.34 C ATOM 934 OE1 GLN A 62 -14.596 3.328 -8.741 1.00 2.14 O flip ATOM 935 NE2 GLN A 62 -16.113 4.425 -7.500 1.00 1.73 N flip ATOM 0 H GLN A 62 -14.875 2.551 -3.645 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.904 1.286 -5.224 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.000 4.130 -5.134 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.931 3.547 -6.394 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.658 1.655 -6.780 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.742 2.573 -5.754 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.592 4.561 -6.610 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -16.346 5.014 -8.300 1.00 1.73 H new ATOM 944 N GLY A 63 -11.759 3.148 -2.885 1.00 0.37 N ATOM 945 CA GLY A 63 -10.557 3.683 -2.257 1.00 0.34 C ATOM 946 C GLY A 63 -9.416 2.671 -2.240 1.00 0.27 C ATOM 947 O GLY A 63 -8.268 3.023 -2.508 1.00 0.29 O ATOM 0 H GLY A 63 -12.571 3.105 -2.269 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.238 4.578 -2.791 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.787 3.986 -1.235 1.00 0.34 H new ATOM 951 N VAL A 64 -9.721 1.417 -1.909 1.00 0.24 N ATOM 952 CA VAL A 64 -8.690 0.385 -1.847 1.00 0.21 C ATOM 953 C VAL A 64 -8.089 0.121 -3.226 1.00 0.24 C ATOM 954 O VAL A 64 -6.872 0.003 -3.366 1.00 0.28 O ATOM 955 CB VAL A 64 -9.240 -0.911 -1.229 1.00 0.24 C ATOM 956 CG1 VAL A 64 -10.029 -1.751 -2.233 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.091 -1.726 -0.647 1.00 0.26 C ATOM 0 H VAL A 64 -10.662 1.095 -1.682 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.893 0.752 -1.201 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.935 -0.629 -0.438 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.394 -2.654 -1.744 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.874 -1.173 -2.606 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.382 -2.026 -3.066 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.482 -2.645 -0.209 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.383 -1.974 -1.438 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.585 -1.143 0.123 1.00 0.26 H new ATOM 967 N GLN A 65 -8.941 0.028 -4.240 1.00 0.25 N ATOM 968 CA GLN A 65 -8.477 -0.222 -5.600 1.00 0.30 C ATOM 969 C GLN A 65 -7.875 1.041 -6.200 1.00 0.30 C ATOM 970 O GLN A 65 -7.023 0.975 -7.087 1.00 0.34 O ATOM 971 CB GLN A 65 -9.632 -0.712 -6.469 1.00 0.37 C ATOM 972 CG GLN A 65 -10.743 0.328 -6.562 1.00 0.42 C ATOM 973 CD GLN A 65 -11.744 -0.060 -7.641 1.00 0.78 C ATOM 974 OE1 GLN A 65 -11.804 -1.215 -8.062 1.00 1.56 O ATOM 975 NE2 GLN A 65 -12.534 0.909 -8.092 1.00 0.82 N ATOM 0 H GLN A 65 -9.953 0.121 -4.148 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.707 -0.993 -5.565 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.264 -0.943 -7.469 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.033 -1.638 -6.055 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.250 0.415 -5.601 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.317 1.306 -6.787 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -12.450 1.853 -7.714 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -13.224 0.709 -8.816 1.00 0.82 H new ATOM 984 N GLN A 66 -8.319 2.193 -5.709 1.00 0.29 N ATOM 985 CA GLN A 66 -7.823 3.475 -6.192 1.00 0.31 C ATOM 986 C GLN A 66 -6.420 3.733 -5.662 1.00 0.29 C ATOM 987 O GLN A 66 -5.487 3.971 -6.430 1.00 0.36 O ATOM 988 CB GLN A 66 -8.759 4.597 -5.754 1.00 0.35 C ATOM 989 CG GLN A 66 -9.988 4.683 -6.653 1.00 0.79 C ATOM 990 CD GLN A 66 -9.804 5.776 -7.698 1.00 1.10 C ATOM 991 OE1 GLN A 66 -8.680 6.168 -8.009 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.911 6.270 -8.242 1.00 1.31 N ATOM 0 H GLN A 66 -9.023 2.264 -4.975 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.787 3.447 -7.281 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.072 4.430 -4.723 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.225 5.547 -5.775 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -10.155 3.725 -7.145 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.873 4.891 -6.052 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.823 5.915 -7.954 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -10.849 7.004 -8.947 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.273 3.678 -4.342 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.981 3.901 -3.706 1.00 0.27 C ATOM 1003 C ALA A 67 -3.996 2.820 -4.128 1.00 0.26 C ATOM 1004 O ALA A 67 -2.797 3.074 -4.253 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.136 3.897 -2.188 1.00 0.29 C ATOM 0 H ALA A 67 -7.034 3.481 -3.692 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.599 4.872 -4.021 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.165 4.064 -1.723 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.822 4.690 -1.890 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.532 2.934 -1.865 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.509 1.614 -4.350 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.676 0.493 -4.765 1.00 0.28 C ATOM 1013 C LYS A 68 -3.028 0.790 -6.110 1.00 0.31 C ATOM 1014 O LYS A 68 -1.813 0.664 -6.267 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.521 -0.774 -4.860 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.689 -1.974 -5.308 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.282 -2.634 -6.549 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.282 -3.574 -7.216 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.335 -3.456 -8.700 1.00 0.88 N ATOM 0 H LYS A 68 -5.499 1.389 -4.249 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.891 0.343 -4.024 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.971 -0.985 -3.890 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.338 -0.615 -5.563 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.669 -1.653 -5.518 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.634 -2.702 -4.499 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.178 -3.191 -6.273 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.590 -1.866 -7.259 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.275 -3.345 -6.867 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.495 -4.602 -6.923 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -2.644 -4.107 -9.125 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.290 -3.698 -9.034 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -3.108 -2.480 -8.979 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.847 1.191 -7.077 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.359 1.515 -8.407 1.00 0.43 C ATOM 1035 C ARG A 69 -2.471 2.751 -8.357 1.00 0.42 C ATOM 1036 O ARG A 69 -1.494 2.857 -9.099 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.540 1.758 -9.340 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.088 1.897 -10.789 1.00 1.02 C ATOM 1039 CD ARG A 69 -5.201 1.528 -11.764 1.00 1.36 C ATOM 1040 NE ARG A 69 -4.638 1.146 -13.055 1.00 1.81 N ATOM 1041 CZ ARG A 69 -4.731 1.937 -14.119 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -3.976 3.025 -14.206 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -5.579 1.645 -15.094 1.00 2.98 N ATOM 0 H ARG A 69 -4.855 1.299 -6.961 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.770 0.679 -8.783 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.247 0.933 -9.256 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -5.067 2.662 -9.034 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.767 2.922 -10.974 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -3.224 1.256 -10.964 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.790 0.705 -11.359 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -5.878 2.373 -11.891 1.00 1.36 H new ATOM 0 HE ARG A 69 -4.161 0.249 -13.143 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -3.324 3.255 -13.456 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -4.048 3.632 -15.023 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -6.163 0.811 -15.029 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -5.648 2.254 -15.909 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.815 3.684 -7.473 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.047 4.914 -7.321 1.00 0.43 C ATOM 1059 C GLU A 70 -0.632 4.600 -6.855 1.00 0.44 C ATOM 1060 O GLU A 70 0.317 5.306 -7.194 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.733 5.838 -6.316 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.004 7.174 -6.194 1.00 0.59 C ATOM 1063 CD GLU A 70 -2.729 8.246 -6.996 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.462 7.889 -7.941 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -2.563 9.443 -6.677 1.00 1.38 O ATOM 0 H GLU A 70 -3.621 3.611 -6.852 1.00 0.40 H new ATOM 0 HA GLU A 70 -1.995 5.415 -8.288 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.764 6.012 -6.625 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.770 5.353 -5.341 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -1.946 7.470 -5.147 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -0.980 7.072 -6.553 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.497 3.531 -6.077 1.00 0.40 N ATOM 1073 CA LEU A 71 0.803 3.114 -5.564 1.00 0.47 C ATOM 1074 C LEU A 71 1.643 2.510 -6.681 1.00 0.52 C ATOM 1075 O LEU A 71 2.805 2.873 -6.866 1.00 0.60 O ATOM 1076 CB LEU A 71 0.619 2.092 -4.445 1.00 0.51 C ATOM 1077 CG LEU A 71 0.209 2.758 -3.134 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.322 1.723 -2.146 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.380 3.529 -2.531 1.00 1.15 C ATOM 0 H LEU A 71 -1.274 2.937 -5.787 1.00 0.40 H new ATOM 0 HA LEU A 71 1.319 3.989 -5.169 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.139 1.365 -4.737 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.548 1.541 -4.298 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.591 3.467 -3.348 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.608 2.219 -1.219 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.191 1.224 -2.574 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.454 0.986 -1.939 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.066 3.996 -1.597 1.00 1.15 H new ATOM 0 HD22 LEU A 71 2.204 2.844 -2.335 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.707 4.299 -3.230 1.00 1.15 H new ATOM 1091 N LEU A 72 1.047 1.585 -7.427 1.00 0.52 N ATOM 1092 CA LEU A 72 1.739 0.926 -8.529 1.00 0.63 C ATOM 1093 C LEU A 72 2.196 1.945 -9.565 1.00 0.67 C ATOM 1094 O LEU A 72 3.151 1.705 -10.304 1.00 0.83 O ATOM 1095 CB LEU A 72 0.815 -0.096 -9.185 1.00 0.66 C ATOM 1096 CG LEU A 72 0.940 -1.472 -8.535 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.354 -2.262 -8.699 1.00 1.99 C ATOM 1098 CD2 LEU A 72 2.120 -2.241 -9.121 1.00 1.04 C ATOM 0 H LEU A 72 0.085 1.275 -7.288 1.00 0.52 H new ATOM 0 HA LEU A 72 2.617 0.418 -8.130 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.217 0.248 -9.113 1.00 0.66 H new ATOM 0 HB3 LEU A 72 1.052 -0.172 -10.246 1.00 0.66 H new ATOM 0 HG LEU A 72 1.122 -1.331 -7.470 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.245 -3.240 -8.229 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -1.173 -1.721 -8.225 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -0.570 -2.391 -9.760 1.00 1.99 H new ATOM 0 HD21 LEU A 72 2.190 -3.218 -8.644 1.00 1.04 H new ATOM 0 HD22 LEU A 72 1.973 -2.371 -10.193 1.00 1.04 H new ATOM 0 HD23 LEU A 72 3.040 -1.684 -8.945 1.00 1.04 H new ATOM 1110 N GLU A 73 1.506 3.080 -9.623 1.00 0.64 N ATOM 1111 CA GLU A 73 1.841 4.131 -10.577 1.00 0.74 C ATOM 1112 C GLU A 73 2.703 5.205 -9.923 1.00 0.71 C ATOM 1113 O GLU A 73 3.928 5.188 -10.044 1.00 0.88 O ATOM 1114 CB GLU A 73 0.565 4.755 -11.134 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.029 3.913 -12.259 1.00 1.00 C ATOM 1116 CD GLU A 73 -1.115 4.693 -12.988 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -1.739 5.574 -12.360 1.00 2.01 O ATOM 1118 OE2 GLU A 73 -1.339 4.421 -14.186 1.00 2.05 O ATOM 0 H GLU A 73 0.712 3.295 -9.021 1.00 0.64 H new ATOM 0 HA GLU A 73 2.410 3.685 -11.393 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.167 4.862 -10.334 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.781 5.757 -11.504 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.755 3.626 -12.960 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -0.445 2.992 -11.852 1.00 1.00 H new ATOM 1125 N LEU A 74 2.056 6.143 -9.237 1.00 0.64 N ATOM 1126 CA LEU A 74 2.763 7.231 -8.571 1.00 0.71 C ATOM 1127 C LEU A 74 3.614 6.699 -7.423 1.00 0.82 C ATOM 1128 O LEU A 74 4.689 7.226 -7.141 1.00 1.13 O ATOM 1129 CB LEU A 74 1.764 8.259 -8.046 1.00 0.85 C ATOM 1130 CG LEU A 74 0.771 8.679 -9.125 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.151 9.782 -8.611 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.500 9.134 -10.388 1.00 1.32 C ATOM 0 H LEU A 74 1.042 6.171 -9.128 1.00 0.64 H new ATOM 0 HA LEU A 74 3.422 7.709 -9.296 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.224 7.841 -7.196 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.300 9.136 -7.683 1.00 0.85 H new ATOM 0 HG LEU A 74 0.161 7.812 -9.378 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.851 10.066 -9.397 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.705 9.419 -7.745 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.444 10.649 -8.324 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.771 9.428 -11.143 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.141 9.983 -10.152 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.109 8.315 -10.772 1.00 1.32 H new ATOM 1144 N ALA A 75 3.125 5.654 -6.763 1.00 0.78 N ATOM 1145 CA ALA A 75 3.843 5.054 -5.645 1.00 0.99 C ATOM 1146 C ALA A 75 4.097 6.088 -4.557 1.00 1.70 C ATOM 1147 O ALA A 75 5.244 6.368 -4.211 1.00 2.16 O ATOM 1148 CB ALA A 75 5.169 4.474 -6.126 1.00 1.14 C ATOM 0 H ALA A 75 2.236 5.206 -6.983 1.00 0.78 H new ATOM 0 HA ALA A 75 3.230 4.253 -5.231 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.698 4.028 -5.284 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.980 3.711 -6.881 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.778 5.268 -6.558 1.00 1.14 H new ATOM 1154 N SER A 76 3.021 6.654 -4.021 1.00 2.17 N ATOM 1155 CA SER A 76 3.127 7.660 -2.971 1.00 3.01 C ATOM 1156 C SER A 76 3.267 6.994 -1.608 1.00 3.57 C ATOM 1157 O SER A 76 2.234 6.780 -0.941 1.00 4.23 O ATOM 1158 CB SER A 76 1.898 8.561 -2.983 1.00 3.63 C ATOM 1159 OG SER A 76 1.910 9.401 -4.129 1.00 4.36 O ATOM 1160 OXT SER A 76 4.411 6.689 -1.209 1.00 3.89 O ATOM 0 H SER A 76 2.064 6.433 -4.297 1.00 2.17 H new ATOM 0 HA SER A 76 4.015 8.264 -3.159 1.00 3.01 H new ATOM 0 HB2 SER A 76 0.993 7.953 -2.980 1.00 3.63 H new ATOM 0 HB3 SER A 76 1.876 9.169 -2.079 1.00 3.63 H new ATOM 0 HG SER A 76 1.114 9.973 -4.124 1.00 4.36 H new TER 1166 SER A 76