USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 553 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 18 HIS : no HD1:sc= -0.913! C(o=-1.2!,f=-7.7!) USER MOD Set 1.2: A 49 SER OG : rot 18:sc= -0.296 USER MOD Set 2.1: A 21 HIS : no HE2:sc= -6.2! C(o=-7.9!,f=-9.4!) USER MOD Set 2.2: A 53 ASN : amide:sc= -1.71 K(o=-7.9,f=-9.5!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -2.9! C(o=-2.9!,f=-2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.33) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.433 K(o=-0.43,f=-2.5!) USER MOD Single : A 33 ASN : amide:sc= -1.09 K(o=-1.1,f=-12!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.61) USER MOD Single : A 39 TYR OH : rot 96:sc= 0.437 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -17:sc= 1.04 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= -0.0188 (180deg=-0.0188) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -14.823 -7.595 2.640 1.00 1.18 N ATOM 59 CA MET A 9 -13.574 -6.842 2.627 1.00 0.82 C ATOM 60 C MET A 9 -12.867 -7.012 1.290 1.00 0.72 C ATOM 61 O MET A 9 -12.996 -8.047 0.637 1.00 0.97 O ATOM 62 CB MET A 9 -12.668 -7.318 3.759 1.00 1.08 C ATOM 63 CG MET A 9 -12.591 -8.841 3.813 1.00 1.61 C ATOM 64 SD MET A 9 -11.229 -9.428 4.834 1.00 2.27 S ATOM 65 CE MET A 9 -11.846 -11.047 5.326 1.00 2.82 C ATOM 0 HA MET A 9 -13.801 -5.786 2.771 1.00 0.82 H new ATOM 0 HB2 MET A 9 -11.668 -6.907 3.623 1.00 1.08 H new ATOM 0 HB3 MET A 9 -13.042 -6.938 4.710 1.00 1.08 H new ATOM 0 HG2 MET A 9 -13.529 -9.235 4.203 1.00 1.61 H new ATOM 0 HG3 MET A 9 -12.477 -9.232 2.802 1.00 1.61 H new ATOM 0 HE1 MET A 9 -11.112 -11.538 5.965 1.00 2.82 H new ATOM 0 HE2 MET A 9 -12.781 -10.929 5.873 1.00 2.82 H new ATOM 0 HE3 MET A 9 -12.019 -11.656 4.438 1.00 2.82 H new ATOM 75 N ASP A 10 -12.120 -5.990 0.885 1.00 0.49 N ATOM 76 CA ASP A 10 -11.394 -6.029 -0.379 1.00 0.42 C ATOM 77 C ASP A 10 -9.911 -5.764 -0.153 1.00 0.38 C ATOM 78 O ASP A 10 -9.523 -4.675 0.272 1.00 0.54 O ATOM 79 CB ASP A 10 -11.968 -4.991 -1.339 1.00 0.44 C ATOM 80 CG ASP A 10 -13.318 -5.452 -1.872 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.921 -6.359 -1.260 1.00 1.55 O ATOM 82 OD2 ASP A 10 -13.771 -4.907 -2.901 1.00 1.53 O ATOM 0 H ASP A 10 -12.002 -5.126 1.413 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.506 -7.022 -0.814 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -12.079 -4.035 -0.827 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.278 -4.831 -2.167 1.00 0.44 H new ATOM 87 N TYR A 11 -9.084 -6.765 -0.440 1.00 0.40 N ATOM 88 CA TYR A 11 -7.643 -6.638 -0.267 1.00 0.37 C ATOM 89 C TYR A 11 -6.921 -6.837 -1.597 1.00 0.34 C ATOM 90 O TYR A 11 -7.525 -7.252 -2.586 1.00 0.38 O ATOM 91 CB TYR A 11 -7.147 -7.656 0.762 1.00 0.42 C ATOM 92 CG TYR A 11 -7.105 -9.073 0.237 1.00 0.48 C ATOM 93 CD1 TYR A 11 -8.242 -9.860 0.264 1.00 0.54 C ATOM 94 CD2 TYR A 11 -5.927 -9.587 -0.274 1.00 0.57 C ATOM 95 CE1 TYR A 11 -8.201 -11.157 -0.218 1.00 0.63 C ATOM 96 CE2 TYR A 11 -5.885 -10.884 -0.757 1.00 0.67 C ATOM 97 CZ TYR A 11 -7.023 -11.663 -0.727 1.00 0.67 C ATOM 98 OH TYR A 11 -6.982 -12.952 -1.207 1.00 0.78 O ATOM 0 H TYR A 11 -9.388 -7.672 -0.793 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.425 -5.633 0.094 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.149 -7.370 1.092 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.795 -7.621 1.638 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -9.164 -9.462 0.662 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -5.037 -8.975 -0.296 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -9.089 -11.771 -0.196 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -4.965 -11.284 -1.156 1.00 0.67 H new ATOM 0 HH TYR A 11 -6.079 -13.152 -1.530 1.00 0.78 H new ATOM 108 N VAL A 12 -5.626 -6.540 -1.610 1.00 0.34 N ATOM 109 CA VAL A 12 -4.816 -6.684 -2.813 1.00 0.34 C ATOM 110 C VAL A 12 -3.338 -6.529 -2.480 1.00 0.35 C ATOM 111 O VAL A 12 -2.966 -5.714 -1.635 1.00 0.51 O ATOM 112 CB VAL A 12 -5.228 -5.641 -3.848 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.136 -4.235 -3.260 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.370 -5.758 -5.105 1.00 0.81 C ATOM 0 H VAL A 12 -5.114 -6.197 -0.797 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.979 -7.680 -3.225 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.265 -5.828 -4.127 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.434 -3.505 -4.013 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.798 -4.157 -2.398 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.110 -4.037 -2.949 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.681 -5.005 -5.829 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.323 -5.602 -4.846 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.493 -6.751 -5.538 1.00 0.81 H new ATOM 124 N GLU A 13 -2.498 -7.314 -3.147 1.00 0.49 N ATOM 125 CA GLU A 13 -1.059 -7.263 -2.917 1.00 0.54 C ATOM 126 C GLU A 13 -0.338 -6.720 -4.144 1.00 0.50 C ATOM 127 O GLU A 13 -0.571 -7.174 -5.264 1.00 0.60 O ATOM 128 CB GLU A 13 -0.530 -8.658 -2.589 1.00 0.67 C ATOM 129 CG GLU A 13 -1.477 -9.424 -1.669 1.00 1.05 C ATOM 130 CD GLU A 13 -0.943 -10.828 -1.416 1.00 1.43 C ATOM 131 OE1 GLU A 13 -0.516 -11.488 -2.387 1.00 1.97 O ATOM 132 OE2 GLU A 13 -0.951 -11.267 -0.246 1.00 2.05 O ATOM 0 H GLU A 13 -2.789 -7.993 -3.851 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.871 -6.597 -2.075 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.388 -9.219 -3.513 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.448 -8.573 -2.114 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.586 -8.893 -0.724 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -2.468 -9.480 -2.120 1.00 1.05 H new ATOM 139 N ILE A 14 0.543 -5.749 -3.925 1.00 0.48 N ATOM 140 CA ILE A 14 1.305 -5.150 -5.014 1.00 0.49 C ATOM 141 C ILE A 14 2.758 -5.604 -4.956 1.00 0.48 C ATOM 142 O ILE A 14 3.442 -5.410 -3.949 1.00 0.43 O ATOM 143 CB ILE A 14 1.222 -3.626 -4.941 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.819 -3.112 -3.630 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.223 -3.158 -5.094 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.634 -1.604 -3.475 1.00 0.63 C ATOM 0 H ILE A 14 0.746 -5.361 -3.004 1.00 0.48 H new ATOM 0 HA ILE A 14 0.877 -5.478 -5.961 1.00 0.49 H new ATOM 0 HB ILE A 14 1.805 -3.214 -5.765 1.00 0.52 H new ATOM 0 HG12 ILE A 14 1.348 -3.624 -2.791 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.881 -3.353 -3.595 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.261 -2.070 -5.039 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.612 -3.487 -6.058 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.830 -3.583 -4.294 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.072 -1.279 -2.531 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.128 -1.090 -4.300 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.571 -1.365 -3.483 1.00 0.63 H new ATOM 158 N ASN A 15 3.221 -6.219 -6.040 1.00 0.59 N ATOM 159 CA ASN A 15 4.591 -6.711 -6.114 1.00 0.62 C ATOM 160 C ASN A 15 5.572 -5.549 -6.187 1.00 0.60 C ATOM 161 O ASN A 15 5.344 -4.572 -6.899 1.00 0.78 O ATOM 162 CB ASN A 15 4.756 -7.610 -7.335 1.00 0.79 C ATOM 163 CG ASN A 15 4.437 -9.056 -6.972 1.00 1.31 C ATOM 164 OD1 ASN A 15 5.233 -9.961 -7.222 1.00 2.20 O ATOM 165 ND2 ASN A 15 3.267 -9.272 -6.382 1.00 1.54 N ATOM 0 H ASN A 15 2.667 -6.388 -6.879 1.00 0.59 H new ATOM 0 HA ASN A 15 4.802 -7.288 -5.214 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.096 -7.274 -8.135 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.776 -7.539 -7.713 1.00 0.79 H new ATOM 0 HD21 ASN A 15 2.997 -10.219 -6.117 1.00 1.54 H new ATOM 0 HD22 ASN A 15 2.639 -8.491 -6.194 1.00 1.54 H new ATOM 172 N ILE A 16 6.666 -5.663 -5.442 1.00 0.49 N ATOM 173 CA ILE A 16 7.687 -4.622 -5.416 1.00 0.49 C ATOM 174 C ILE A 16 9.076 -5.234 -5.534 1.00 0.56 C ATOM 175 O ILE A 16 9.258 -6.431 -5.310 1.00 0.66 O ATOM 176 CB ILE A 16 7.573 -3.822 -4.122 1.00 0.48 C ATOM 177 CG1 ILE A 16 6.176 -3.223 -3.984 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.631 -2.727 -4.065 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.909 -2.164 -5.051 1.00 0.84 C ATOM 0 H ILE A 16 6.869 -6.467 -4.848 1.00 0.49 H new ATOM 0 HA ILE A 16 7.532 -3.955 -6.264 1.00 0.49 H new ATOM 0 HB ILE A 16 7.742 -4.502 -3.287 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.431 -4.015 -4.062 1.00 0.63 H new ATOM 0 HG13 ILE A 16 6.066 -2.779 -2.995 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.529 -2.171 -3.133 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.623 -3.177 -4.113 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.499 -2.049 -4.908 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.905 -1.761 -4.920 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.638 -1.360 -4.956 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.993 -2.615 -6.040 1.00 0.84 H new ATOM 191 N ASP A 17 10.054 -4.409 -5.892 1.00 0.63 N ATOM 192 CA ASP A 17 11.429 -4.871 -6.046 1.00 0.75 C ATOM 193 C ASP A 17 12.120 -4.970 -4.692 1.00 1.00 C ATOM 194 O ASP A 17 12.197 -6.048 -4.102 1.00 1.75 O ATOM 195 CB ASP A 17 12.199 -3.917 -6.955 1.00 1.27 C ATOM 196 CG ASP A 17 12.291 -4.486 -8.363 1.00 1.63 C ATOM 197 OD1 ASP A 17 11.238 -4.855 -8.926 1.00 2.21 O ATOM 198 OD2 ASP A 17 13.415 -4.564 -8.902 1.00 2.16 O ATOM 0 H ASP A 17 9.920 -3.416 -6.081 1.00 0.63 H new ATOM 0 HA ASP A 17 11.411 -5.863 -6.497 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.702 -2.947 -6.979 1.00 1.27 H new ATOM 0 HB3 ASP A 17 13.200 -3.753 -6.556 1.00 1.27 H new ATOM 203 N HIS A 18 12.625 -3.841 -4.202 1.00 1.27 N ATOM 204 CA HIS A 18 13.313 -3.808 -2.917 1.00 1.85 C ATOM 205 C HIS A 18 13.293 -2.401 -2.332 1.00 1.32 C ATOM 206 O HIS A 18 12.636 -2.149 -1.322 1.00 2.00 O ATOM 207 CB HIS A 18 14.753 -4.278 -3.089 1.00 2.83 C ATOM 208 CG HIS A 18 15.438 -4.553 -1.786 1.00 3.48 C ATOM 209 ND1 HIS A 18 15.709 -3.581 -0.858 1.00 4.01 N ATOM 210 CD2 HIS A 18 15.915 -5.700 -1.238 1.00 4.16 C ATOM 211 CE1 HIS A 18 16.312 -4.088 0.192 1.00 4.73 C ATOM 212 NE2 HIS A 18 16.457 -5.387 -0.005 1.00 4.84 N ATOM 0 H HIS A 18 12.570 -2.939 -4.675 1.00 1.27 H new ATOM 0 HA HIS A 18 12.795 -4.476 -2.229 1.00 1.85 H new ATOM 0 HB2 HIS A 18 14.764 -5.183 -3.697 1.00 2.83 H new ATOM 0 HB3 HIS A 18 15.314 -3.520 -3.635 1.00 2.83 H new ATOM 0 HD2 HIS A 18 15.878 -6.682 -1.686 1.00 4.16 H new ATOM 0 HE1 HIS A 18 16.634 -3.539 1.065 1.00 4.73 H new ATOM 0 HE2 HIS A 18 16.893 -6.045 0.641 1.00 4.84 H new ATOM 220 N LYS A 19 14.016 -1.487 -2.971 1.00 0.82 N ATOM 221 CA LYS A 19 14.082 -0.104 -2.511 1.00 0.84 C ATOM 222 C LYS A 19 12.777 0.621 -2.817 1.00 0.77 C ATOM 223 O LYS A 19 12.686 1.370 -3.790 1.00 1.13 O ATOM 224 CB LYS A 19 15.245 0.618 -3.185 1.00 1.47 C ATOM 225 CG LYS A 19 16.569 0.327 -2.485 1.00 1.97 C ATOM 226 CD LYS A 19 17.419 -0.663 -3.278 1.00 2.72 C ATOM 227 CE LYS A 19 17.978 -0.032 -4.549 1.00 3.37 C ATOM 228 NZ LYS A 19 19.079 -0.853 -5.123 1.00 4.03 N ATOM 0 H LYS A 19 14.565 -1.679 -3.809 1.00 0.82 H new ATOM 0 HA LYS A 19 14.239 -0.105 -1.432 1.00 0.84 H new ATOM 0 HB2 LYS A 19 15.309 0.310 -4.229 1.00 1.47 H new ATOM 0 HB3 LYS A 19 15.059 1.692 -3.180 1.00 1.47 H new ATOM 0 HG2 LYS A 19 17.122 1.257 -2.351 1.00 1.97 H new ATOM 0 HG3 LYS A 19 16.375 -0.075 -1.490 1.00 1.97 H new ATOM 0 HD2 LYS A 19 18.241 -1.018 -2.656 1.00 2.72 H new ATOM 0 HD3 LYS A 19 16.817 -1.534 -3.538 1.00 2.72 H new ATOM 0 HE2 LYS A 19 17.181 0.076 -5.285 1.00 3.37 H new ATOM 0 HE3 LYS A 19 18.346 0.970 -4.328 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 19.438 -0.397 -5.986 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 19.849 -0.935 -4.429 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 18.720 -1.801 -5.355 1.00 4.03 H new ATOM 242 N PHE A 20 11.770 0.394 -1.980 1.00 0.63 N ATOM 243 CA PHE A 20 10.467 1.026 -2.162 1.00 0.61 C ATOM 244 C PHE A 20 9.862 1.401 -0.820 1.00 0.62 C ATOM 245 O PHE A 20 9.551 2.563 -0.573 1.00 0.95 O ATOM 246 CB PHE A 20 9.519 0.079 -2.885 1.00 0.62 C ATOM 247 CG PHE A 20 9.375 0.382 -4.351 1.00 0.75 C ATOM 248 CD1 PHE A 20 10.447 0.204 -5.209 1.00 1.08 C ATOM 249 CD2 PHE A 20 8.165 0.835 -4.845 1.00 0.96 C ATOM 250 CE1 PHE A 20 10.308 0.479 -6.557 1.00 1.26 C ATOM 251 CE2 PHE A 20 8.025 1.111 -6.193 1.00 1.17 C ATOM 252 CZ PHE A 20 9.097 0.933 -7.050 1.00 1.19 C ATOM 0 H PHE A 20 11.830 -0.222 -1.169 1.00 0.63 H new ATOM 0 HA PHE A 20 10.610 1.928 -2.757 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.878 -0.943 -2.766 1.00 0.62 H new ATOM 0 HB3 PHE A 20 8.538 0.129 -2.413 1.00 0.62 H new ATOM 0 HD1 PHE A 20 11.392 -0.150 -4.825 1.00 1.08 H new ATOM 0 HD2 PHE A 20 7.328 0.973 -4.177 1.00 0.96 H new ATOM 0 HE1 PHE A 20 11.145 0.339 -7.225 1.00 1.26 H new ATOM 0 HE2 PHE A 20 7.080 1.465 -6.577 1.00 1.17 H new ATOM 0 HZ PHE A 20 8.989 1.148 -8.103 1.00 1.19 H new ATOM 262 N HIS A 21 9.677 0.402 0.038 1.00 0.53 N ATOM 263 CA HIS A 21 9.087 0.611 1.357 1.00 0.57 C ATOM 264 C HIS A 21 9.656 1.852 2.025 1.00 0.69 C ATOM 265 O HIS A 21 8.915 2.761 2.398 1.00 1.03 O ATOM 266 CB HIS A 21 9.334 -0.608 2.231 1.00 0.54 C ATOM 267 CG HIS A 21 8.583 -1.813 1.755 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.150 -2.816 2.583 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.173 -2.185 0.514 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.514 -3.744 1.904 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.510 -3.391 0.631 1.00 0.42 N ATOM 0 H HIS A 21 9.929 -0.567 -0.158 1.00 0.53 H new ATOM 0 HA HIS A 21 8.014 0.758 1.230 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.401 -0.831 2.246 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.041 -0.382 3.256 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.301 -2.839 3.591 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.337 -1.635 -0.401 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.072 -4.639 2.315 1.00 0.45 H new ATOM 279 N ARG A 22 10.976 1.895 2.169 1.00 0.68 N ATOM 280 CA ARG A 22 11.629 3.039 2.785 1.00 0.80 C ATOM 281 C ARG A 22 11.190 4.322 2.087 1.00 0.81 C ATOM 282 O ARG A 22 11.146 5.392 2.694 1.00 0.92 O ATOM 283 CB ARG A 22 13.146 2.889 2.706 1.00 0.93 C ATOM 284 CG ARG A 22 13.854 3.843 3.664 1.00 1.64 C ATOM 285 CD ARG A 22 13.348 3.682 5.093 1.00 2.14 C ATOM 286 NE ARG A 22 13.170 2.269 5.413 1.00 2.73 N ATOM 287 CZ ARG A 22 13.926 1.658 6.318 1.00 3.33 C ATOM 288 NH1 ARG A 22 15.076 1.104 5.960 1.00 3.72 N ATOM 289 NH2 ARG A 22 13.532 1.599 7.582 1.00 3.95 N ATOM 0 H ARG A 22 11.610 1.154 1.869 1.00 0.68 H new ATOM 0 HA ARG A 22 11.340 3.088 3.835 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.424 1.862 2.943 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.479 3.082 1.686 1.00 0.93 H new ATOM 0 HG2 ARG A 22 14.928 3.658 3.635 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.698 4.871 3.336 1.00 1.64 H new ATOM 0 HD2 ARG A 22 14.055 4.133 5.789 1.00 2.14 H new ATOM 0 HD3 ARG A 22 12.402 4.211 5.213 1.00 2.14 H new ATOM 0 HE ARG A 22 12.446 1.737 4.929 1.00 2.73 H new ATOM 0 HH11 ARG A 22 15.382 1.147 4.988 1.00 3.72 H new ATOM 0 HH12 ARG A 22 15.655 0.635 6.657 1.00 3.72 H new ATOM 0 HH21 ARG A 22 12.647 2.023 7.861 1.00 3.95 H new ATOM 0 HH22 ARG A 22 14.114 1.129 8.276 1.00 3.95 H new ATOM 303 N HIS A 23 10.850 4.194 0.807 1.00 0.90 N ATOM 304 CA HIS A 23 10.392 5.323 0.007 1.00 0.98 C ATOM 305 C HIS A 23 8.910 5.565 0.250 1.00 0.96 C ATOM 306 O HIS A 23 8.499 6.687 0.548 1.00 1.12 O ATOM 307 CB HIS A 23 10.642 5.049 -1.474 1.00 1.02 C ATOM 308 CG HIS A 23 11.661 5.963 -2.077 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.777 6.396 -1.406 1.00 1.83 N ATOM 310 CD2 HIS A 23 11.747 6.540 -3.304 1.00 1.56 C ATOM 311 CE1 HIS A 23 13.504 7.186 -2.162 1.00 2.07 C ATOM 312 NE2 HIS A 23 12.903 7.298 -3.335 1.00 1.86 N ATOM 0 H HIS A 23 10.884 3.310 0.299 1.00 0.90 H new ATOM 0 HA HIS A 23 10.948 6.214 0.300 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.971 4.017 -1.596 1.00 1.02 H new ATOM 0 HB3 HIS A 23 9.704 5.151 -2.019 1.00 1.02 H new ATOM 0 HD2 HIS A 23 11.039 6.427 -4.111 1.00 1.56 H new ATOM 0 HE1 HIS A 23 14.431 7.661 -1.876 1.00 2.07 H new ATOM 0 HE2 HIS A 23 13.235 7.849 -4.126 1.00 1.86 H new ATOM 320 N LEU A 24 8.102 4.505 0.138 1.00 0.86 N ATOM 321 CA LEU A 24 6.665 4.602 0.363 1.00 0.87 C ATOM 322 C LEU A 24 6.383 5.431 1.609 1.00 0.97 C ATOM 323 O LEU A 24 5.376 6.132 1.692 1.00 1.16 O ATOM 324 CB LEU A 24 6.096 3.203 0.534 1.00 0.73 C ATOM 325 CG LEU A 24 5.805 2.503 -0.801 1.00 0.76 C ATOM 326 CD1 LEU A 24 4.429 2.902 -1.327 1.00 1.25 C ATOM 327 CD2 LEU A 24 6.881 2.762 -1.860 1.00 0.72 C ATOM 0 H LEU A 24 8.425 3.569 -0.108 1.00 0.86 H new ATOM 0 HA LEU A 24 6.196 5.089 -0.492 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.799 2.599 1.108 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.176 3.260 1.115 1.00 0.73 H new ATOM 0 HG LEU A 24 5.817 1.432 -0.600 1.00 0.76 H new ATOM 0 HD11 LEU A 24 4.241 2.396 -2.274 1.00 1.25 H new ATOM 0 HD12 LEU A 24 3.666 2.615 -0.604 1.00 1.25 H new ATOM 0 HD13 LEU A 24 4.397 3.981 -1.480 1.00 1.25 H new ATOM 0 HD21 LEU A 24 6.618 2.241 -2.781 1.00 0.72 H new ATOM 0 HD22 LEU A 24 6.949 3.832 -2.056 1.00 0.72 H new ATOM 0 HD23 LEU A 24 7.843 2.398 -1.498 1.00 0.72 H new ATOM 339 N ILE A 25 7.298 5.348 2.568 1.00 0.92 N ATOM 340 CA ILE A 25 7.181 6.091 3.812 1.00 1.10 C ATOM 341 C ILE A 25 8.271 7.156 3.887 1.00 1.41 C ATOM 342 O ILE A 25 9.458 6.855 3.772 1.00 1.91 O ATOM 343 CB ILE A 25 7.272 5.139 5.005 1.00 0.94 C ATOM 344 CG1 ILE A 25 8.689 4.594 5.174 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.276 3.993 4.853 1.00 1.06 C ATOM 346 CD1 ILE A 25 8.764 3.582 6.312 1.00 0.91 C ATOM 0 H ILE A 25 8.135 4.768 2.504 1.00 0.92 H new ATOM 0 HA ILE A 25 6.210 6.586 3.842 1.00 1.10 H new ATOM 0 HB ILE A 25 7.021 5.705 5.902 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.013 4.124 4.245 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.376 5.417 5.371 1.00 0.90 H new ATOM 0 HG21 ILE A 25 6.355 3.326 5.711 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.264 4.395 4.798 1.00 1.06 H new ATOM 0 HG23 ILE A 25 6.496 3.438 3.941 1.00 1.06 H new ATOM 0 HD11 ILE A 25 9.786 3.214 6.405 1.00 0.91 H new ATOM 0 HD12 ILE A 25 8.464 4.060 7.244 1.00 0.91 H new ATOM 0 HD13 ILE A 25 8.096 2.747 6.101 1.00 0.91 H new ATOM 358 N GLY A 26 7.859 8.406 4.066 1.00 1.49 N ATOM 359 CA GLY A 26 8.793 9.527 4.144 1.00 1.87 C ATOM 360 C GLY A 26 9.995 9.196 5.022 1.00 1.82 C ATOM 361 O GLY A 26 11.115 9.058 4.531 1.00 2.29 O ATOM 0 H GLY A 26 6.879 8.671 4.161 1.00 1.49 H new ATOM 0 HA2 GLY A 26 9.134 9.787 3.142 1.00 1.87 H new ATOM 0 HA3 GLY A 26 8.280 10.402 4.543 1.00 1.87 H new ATOM 365 N LYS A 27 9.757 9.072 6.323 1.00 1.86 N ATOM 366 CA LYS A 27 10.824 8.759 7.268 1.00 1.91 C ATOM 367 C LYS A 27 10.483 7.510 8.070 1.00 1.62 C ATOM 368 O LYS A 27 11.219 6.524 8.043 1.00 2.38 O ATOM 369 CB LYS A 27 11.046 9.939 8.210 1.00 2.21 C ATOM 370 CG LYS A 27 12.259 9.719 9.110 1.00 2.65 C ATOM 371 CD LYS A 27 12.857 11.043 9.577 1.00 3.30 C ATOM 372 CE LYS A 27 14.114 11.401 8.790 1.00 3.80 C ATOM 373 NZ LYS A 27 15.340 11.218 9.616 1.00 4.51 N ATOM 0 H LYS A 27 8.836 9.183 6.747 1.00 1.86 H new ATOM 0 HA LYS A 27 11.739 8.570 6.707 1.00 1.91 H new ATOM 0 HB2 LYS A 27 11.185 10.849 7.627 1.00 2.21 H new ATOM 0 HB3 LYS A 27 10.158 10.087 8.825 1.00 2.21 H new ATOM 0 HG2 LYS A 27 11.968 9.125 9.976 1.00 2.65 H new ATOM 0 HG3 LYS A 27 13.014 9.148 8.571 1.00 2.65 H new ATOM 0 HD2 LYS A 27 12.118 11.836 9.464 1.00 3.30 H new ATOM 0 HD3 LYS A 27 13.097 10.980 10.638 1.00 3.30 H new ATOM 0 HE2 LYS A 27 14.177 10.777 7.898 1.00 3.80 H new ATOM 0 HE3 LYS A 27 14.052 12.435 8.452 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 16.178 11.469 9.054 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 15.289 11.832 10.454 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 15.410 10.225 9.918 1.00 4.51 H new ATOM 387 N SER A 28 9.363 7.558 8.785 1.00 1.28 N ATOM 388 CA SER A 28 8.926 6.428 9.597 1.00 1.60 C ATOM 389 C SER A 28 7.431 6.193 9.429 1.00 1.60 C ATOM 390 O SER A 28 6.743 5.807 10.375 1.00 2.28 O ATOM 391 CB SER A 28 9.247 6.690 11.065 1.00 1.99 C ATOM 392 OG SER A 28 9.462 5.464 11.750 1.00 2.57 O ATOM 0 H SER A 28 8.742 8.367 8.818 1.00 1.28 H new ATOM 0 HA SER A 28 9.457 5.536 9.265 1.00 1.60 H new ATOM 0 HB2 SER A 28 10.134 7.319 11.144 1.00 1.99 H new ATOM 0 HB3 SER A 28 8.427 7.236 11.532 1.00 1.99 H new ATOM 0 HG SER A 28 9.669 5.647 12.690 1.00 2.57 H new ATOM 398 N GLY A 29 6.930 6.426 8.220 1.00 1.21 N ATOM 399 CA GLY A 29 5.514 6.239 7.929 1.00 1.23 C ATOM 400 C GLY A 29 4.789 7.575 7.865 1.00 1.36 C ATOM 401 O GLY A 29 3.964 7.887 8.723 1.00 2.05 O ATOM 0 H GLY A 29 7.485 6.745 7.426 1.00 1.21 H new ATOM 0 HA2 GLY A 29 5.400 5.714 6.981 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.061 5.612 8.697 1.00 1.23 H new ATOM 405 N ALA A 30 5.101 8.364 6.841 1.00 1.00 N ATOM 406 CA ALA A 30 4.478 9.671 6.661 1.00 1.10 C ATOM 407 C ALA A 30 3.650 9.722 5.377 1.00 1.06 C ATOM 408 O ALA A 30 3.101 10.769 5.031 1.00 1.43 O ATOM 409 CB ALA A 30 5.552 10.753 6.624 1.00 1.27 C ATOM 0 H ALA A 30 5.783 8.120 6.122 1.00 1.00 H new ATOM 0 HA ALA A 30 3.808 9.845 7.503 1.00 1.10 H new ATOM 0 HB1 ALA A 30 5.082 11.727 6.489 1.00 1.27 H new ATOM 0 HB2 ALA A 30 6.109 10.745 7.561 1.00 1.27 H new ATOM 0 HB3 ALA A 30 6.233 10.561 5.795 1.00 1.27 H new ATOM 415 N ASN A 31 3.556 8.596 4.669 1.00 0.73 N ATOM 416 CA ASN A 31 2.790 8.535 3.431 1.00 0.69 C ATOM 417 C ASN A 31 1.643 7.543 3.565 1.00 0.60 C ATOM 418 O ASN A 31 0.488 7.870 3.278 1.00 0.58 O ATOM 419 CB ASN A 31 3.697 8.127 2.275 1.00 0.71 C ATOM 420 CG ASN A 31 3.707 9.206 1.201 1.00 1.24 C ATOM 421 OD1 ASN A 31 3.365 10.359 1.461 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.100 8.830 -0.012 1.00 1.42 N ATOM 0 H ASN A 31 4.001 7.717 4.934 1.00 0.73 H new ATOM 0 HA ASN A 31 2.377 9.523 3.229 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.710 7.960 2.641 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.352 7.185 1.849 1.00 0.71 H new ATOM 0 HD21 ASN A 31 4.127 9.509 -0.773 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.375 7.863 -0.182 1.00 1.42 H new ATOM 429 N ILE A 32 1.964 6.330 4.013 1.00 0.58 N ATOM 430 CA ILE A 32 0.960 5.284 4.198 1.00 0.56 C ATOM 431 C ILE A 32 -0.262 5.842 4.918 1.00 0.52 C ATOM 432 O ILE A 32 -1.401 5.540 4.563 1.00 0.51 O ATOM 433 CB ILE A 32 1.552 4.127 4.995 1.00 0.63 C ATOM 434 CG1 ILE A 32 2.009 4.600 6.372 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.710 3.484 4.236 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.673 3.473 7.156 1.00 1.07 C ATOM 0 H ILE A 32 2.914 6.047 4.255 1.00 0.58 H new ATOM 0 HA ILE A 32 0.651 4.920 3.218 1.00 0.56 H new ATOM 0 HB ILE A 32 0.775 3.375 5.132 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.708 5.428 6.260 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.153 4.979 6.931 1.00 0.70 H new ATOM 0 HG21 ILE A 32 3.117 2.661 4.823 1.00 0.69 H new ATOM 0 HG22 ILE A 32 2.352 3.105 3.279 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.489 4.227 4.063 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.986 3.844 8.132 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.964 2.656 7.289 1.00 1.07 H new ATOM 0 HD13 ILE A 32 3.544 3.113 6.608 1.00 1.07 H new ATOM 448 N ASN A 33 -0.010 6.672 5.924 1.00 0.56 N ATOM 449 CA ASN A 33 -1.084 7.295 6.694 1.00 0.59 C ATOM 450 C ASN A 33 -1.968 8.127 5.784 1.00 0.54 C ATOM 451 O ASN A 33 -3.183 7.940 5.729 1.00 0.55 O ATOM 452 CB ASN A 33 -0.517 8.195 7.792 1.00 0.71 C ATOM 453 CG ASN A 33 0.714 8.957 7.313 1.00 0.97 C ATOM 454 OD1 ASN A 33 1.796 8.387 7.176 1.00 1.51 O ATOM 455 ND2 ASN A 33 0.547 10.250 7.059 1.00 1.62 N ATOM 0 H ASN A 33 0.929 6.930 6.227 1.00 0.56 H new ATOM 0 HA ASN A 33 -1.671 6.499 7.152 1.00 0.59 H new ATOM 0 HB2 ASN A 33 -1.281 8.902 8.114 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.256 7.590 8.661 1.00 0.71 H new ATOM 0 HD21 ASN A 33 1.334 10.812 6.736 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -0.369 10.681 7.187 1.00 1.62 H new ATOM 462 N ARG A 34 -1.340 9.058 5.080 1.00 0.55 N ATOM 463 CA ARG A 34 -2.042 9.955 4.166 1.00 0.56 C ATOM 464 C ARG A 34 -3.089 9.209 3.347 1.00 0.48 C ATOM 465 O ARG A 34 -4.240 9.632 3.268 1.00 0.48 O ATOM 466 CB ARG A 34 -1.043 10.634 3.232 1.00 0.65 C ATOM 467 CG ARG A 34 -1.726 11.665 2.338 1.00 0.89 C ATOM 468 CD ARG A 34 -0.709 12.536 1.607 1.00 1.22 C ATOM 469 NE ARG A 34 -0.793 13.916 2.076 1.00 1.69 N ATOM 470 CZ ARG A 34 0.201 14.778 1.890 1.00 2.27 C ATOM 471 NH1 ARG A 34 1.105 14.557 0.946 1.00 2.78 N ATOM 472 NH2 ARG A 34 0.290 15.863 2.647 1.00 2.90 N ATOM 0 H ARG A 34 -0.333 9.215 5.124 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.554 10.708 4.764 1.00 0.56 H new ATOM 0 HB2 ARG A 34 -0.265 11.120 3.821 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.552 9.882 2.614 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -2.358 11.155 1.611 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -2.379 12.296 2.942 1.00 0.89 H new ATOM 0 HD2 ARG A 34 0.297 12.149 1.772 1.00 1.22 H new ATOM 0 HD3 ARG A 34 -0.893 12.498 0.533 1.00 1.22 H new ATOM 0 HE ARG A 34 -1.636 14.226 2.559 1.00 1.69 H new ATOM 0 HH11 ARG A 34 1.038 13.724 0.361 1.00 2.78 H new ATOM 0 HH12 ARG A 34 1.867 15.220 0.805 1.00 2.78 H new ATOM 0 HH21 ARG A 34 -0.405 16.037 3.373 1.00 2.90 H new ATOM 0 HH22 ARG A 34 1.053 16.524 2.503 1.00 2.90 H new ATOM 486 N ILE A 35 -2.687 8.096 2.739 1.00 0.45 N ATOM 487 CA ILE A 35 -3.606 7.300 1.930 1.00 0.40 C ATOM 488 C ILE A 35 -4.749 6.777 2.797 1.00 0.34 C ATOM 489 O ILE A 35 -5.911 7.129 2.590 1.00 0.34 O ATOM 490 CB ILE A 35 -2.857 6.139 1.273 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.810 6.664 0.294 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.821 5.194 0.557 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.467 6.900 0.978 1.00 1.29 C ATOM 0 H ILE A 35 -1.738 7.727 2.790 1.00 0.45 H new ATOM 0 HA ILE A 35 -4.026 7.930 1.146 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.354 5.578 2.061 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.683 5.951 -0.521 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -2.161 7.596 -0.150 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.260 4.379 0.100 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.532 4.786 1.276 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.360 5.741 -0.216 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.252 7.273 0.249 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.589 7.633 1.776 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -0.103 5.963 1.399 1.00 1.29 H new ATOM 505 N LYS A 36 -4.409 5.937 3.774 1.00 0.35 N ATOM 506 CA LYS A 36 -5.396 5.358 4.687 1.00 0.36 C ATOM 507 C LYS A 36 -6.400 6.411 5.149 1.00 0.39 C ATOM 508 O LYS A 36 -7.572 6.107 5.372 1.00 0.51 O ATOM 509 CB LYS A 36 -4.679 4.756 5.897 1.00 0.44 C ATOM 510 CG LYS A 36 -5.660 4.264 6.960 1.00 1.09 C ATOM 511 CD LYS A 36 -5.508 5.040 8.265 1.00 1.41 C ATOM 512 CE LYS A 36 -6.345 4.426 9.385 1.00 2.17 C ATOM 513 NZ LYS A 36 -7.291 5.421 9.962 1.00 2.76 N ATOM 0 H LYS A 36 -3.450 5.640 3.955 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.943 4.578 4.157 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -4.052 3.926 5.571 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -4.016 5.503 6.334 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.680 4.368 6.591 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.495 3.203 7.145 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.459 5.055 8.560 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -5.810 6.076 8.110 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -6.902 3.572 8.999 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -5.687 4.049 10.169 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -7.845 4.974 10.720 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -6.756 6.223 10.351 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -7.933 5.761 9.218 1.00 2.76 H new ATOM 527 N ASP A 37 -5.933 7.645 5.295 1.00 0.40 N ATOM 528 CA ASP A 37 -6.782 8.741 5.734 1.00 0.45 C ATOM 529 C ASP A 37 -7.544 9.335 4.557 1.00 0.44 C ATOM 530 O ASP A 37 -8.682 9.782 4.701 1.00 0.60 O ATOM 531 CB ASP A 37 -5.922 9.813 6.384 1.00 0.51 C ATOM 532 CG ASP A 37 -6.458 10.160 7.766 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.667 10.450 7.880 1.00 1.37 O ATOM 534 OD2 ASP A 37 -5.668 10.142 8.733 1.00 1.56 O ATOM 0 H ASP A 37 -4.965 7.911 5.114 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.505 8.360 6.455 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -4.893 9.463 6.464 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.908 10.705 5.758 1.00 0.51 H new ATOM 539 N GLN A 38 -6.903 9.341 3.395 1.00 0.41 N ATOM 540 CA GLN A 38 -7.505 9.885 2.184 1.00 0.46 C ATOM 541 C GLN A 38 -8.470 8.889 1.555 1.00 0.42 C ATOM 542 O GLN A 38 -9.668 9.152 1.453 1.00 0.68 O ATOM 543 CB GLN A 38 -6.416 10.240 1.186 1.00 0.54 C ATOM 544 CG GLN A 38 -6.906 11.267 0.171 1.00 0.65 C ATOM 545 CD GLN A 38 -7.441 12.510 0.872 1.00 1.05 C ATOM 546 OE1 GLN A 38 -8.650 12.669 1.038 1.00 1.65 O ATOM 547 NE2 GLN A 38 -6.538 13.392 1.285 1.00 1.66 N ATOM 0 H GLN A 38 -5.961 8.973 3.265 1.00 0.41 H new ATOM 0 HA GLN A 38 -8.065 10.780 2.454 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.549 10.635 1.716 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -6.089 9.340 0.666 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -6.089 11.544 -0.496 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.689 10.828 -0.448 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -5.546 13.218 1.126 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -6.837 14.243 1.762 1.00 1.66 H new ATOM 556 N TYR A 39 -7.939 7.752 1.122 1.00 0.34 N ATOM 557 CA TYR A 39 -8.751 6.719 0.486 1.00 0.34 C ATOM 558 C TYR A 39 -9.467 5.844 1.515 1.00 0.30 C ATOM 559 O TYR A 39 -10.090 4.846 1.153 1.00 0.32 O ATOM 560 CB TYR A 39 -7.874 5.849 -0.410 1.00 0.39 C ATOM 561 CG TYR A 39 -7.203 6.627 -1.514 1.00 0.46 C ATOM 562 CD1 TYR A 39 -6.079 7.388 -1.247 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.711 6.581 -2.801 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.466 8.101 -2.261 1.00 0.62 C ATOM 565 CE2 TYR A 39 -7.097 7.294 -3.815 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.969 8.052 -3.535 1.00 0.66 C ATOM 567 OH TYR A 39 -5.368 8.761 -4.551 1.00 0.77 O ATOM 0 H TYR A 39 -6.949 7.521 1.199 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.512 7.219 -0.113 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -7.112 5.363 0.199 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.484 5.059 -0.849 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.679 7.425 -0.244 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.588 5.988 -3.014 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.590 8.697 -2.049 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -7.493 7.261 -4.819 1.00 0.73 H new ATOM 0 HH TYR A 39 -4.748 8.177 -5.035 1.00 0.77 H new ATOM 577 N LYS A 40 -9.384 6.210 2.795 1.00 0.28 N ATOM 578 CA LYS A 40 -10.036 5.439 3.854 1.00 0.31 C ATOM 579 C LYS A 40 -9.735 3.952 3.691 1.00 0.29 C ATOM 580 O LYS A 40 -10.613 3.103 3.851 1.00 0.39 O ATOM 581 CB LYS A 40 -11.544 5.678 3.815 1.00 0.38 C ATOM 582 CG LYS A 40 -12.028 6.419 5.058 1.00 0.86 C ATOM 583 CD LYS A 40 -12.234 7.906 4.781 1.00 1.29 C ATOM 584 CE LYS A 40 -13.709 8.241 4.580 1.00 1.88 C ATOM 585 NZ LYS A 40 -13.879 9.421 3.687 1.00 2.56 N ATOM 0 H LYS A 40 -8.875 7.031 3.122 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.648 5.767 4.818 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.799 6.254 2.925 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -12.062 4.722 3.735 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -12.964 5.979 5.403 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.302 6.295 5.862 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -11.838 8.490 5.612 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -11.671 8.193 3.893 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -14.224 7.381 4.152 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.173 8.443 5.545 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.892 9.624 3.569 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -13.407 10.246 4.109 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -13.457 9.217 2.759 1.00 2.56 H new ATOM 599 N VAL A 41 -8.485 3.646 3.364 1.00 0.23 N ATOM 600 CA VAL A 41 -8.054 2.268 3.166 1.00 0.23 C ATOM 601 C VAL A 41 -7.003 1.882 4.199 1.00 0.27 C ATOM 602 O VAL A 41 -6.697 2.657 5.102 1.00 0.33 O ATOM 603 CB VAL A 41 -7.486 2.101 1.760 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.594 2.188 0.715 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.410 3.147 1.486 1.00 0.23 C ATOM 0 H VAL A 41 -7.748 4.339 3.230 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.916 1.612 3.287 1.00 0.23 H new ATOM 0 HB VAL A 41 -7.030 1.113 1.694 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -8.166 2.066 -0.280 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.326 1.400 0.894 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -9.083 3.160 0.783 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -6.018 3.010 0.478 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.841 4.144 1.576 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.601 3.035 2.208 1.00 0.23 H new ATOM 615 N SER A 42 -6.454 0.679 4.060 1.00 0.29 N ATOM 616 CA SER A 42 -5.436 0.191 4.983 1.00 0.34 C ATOM 617 C SER A 42 -4.189 -0.248 4.225 1.00 0.30 C ATOM 618 O SER A 42 -4.173 -1.304 3.593 1.00 0.36 O ATOM 619 CB SER A 42 -5.988 -0.976 5.794 1.00 0.43 C ATOM 620 OG SER A 42 -5.900 -2.183 5.048 1.00 0.93 O ATOM 0 H SER A 42 -6.697 0.024 3.317 1.00 0.29 H new ATOM 0 HA SER A 42 -5.163 1.002 5.658 1.00 0.34 H new ATOM 0 HB2 SER A 42 -5.431 -1.075 6.726 1.00 0.43 H new ATOM 0 HB3 SER A 42 -7.026 -0.782 6.062 1.00 0.43 H new ATOM 0 HG SER A 42 -5.762 -1.973 4.101 1.00 0.93 H new ATOM 626 N VAL A 43 -3.143 0.569 4.293 1.00 0.33 N ATOM 627 CA VAL A 43 -1.887 0.266 3.617 1.00 0.34 C ATOM 628 C VAL A 43 -0.862 -0.259 4.614 1.00 0.35 C ATOM 629 O VAL A 43 -0.775 0.228 5.741 1.00 0.55 O ATOM 630 CB VAL A 43 -1.350 1.518 2.927 1.00 0.49 C ATOM 631 CG1 VAL A 43 -1.211 2.667 3.921 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.016 1.230 2.244 1.00 0.54 C ATOM 0 H VAL A 43 -3.141 1.448 4.811 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.071 -0.503 2.867 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.066 1.816 2.161 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -0.827 3.548 3.407 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -2.186 2.895 4.353 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.521 2.380 4.715 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.348 2.136 1.759 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.710 0.900 2.987 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.151 0.448 1.497 1.00 0.54 H new ATOM 642 N ARG A 44 -0.092 -1.260 4.199 1.00 0.31 N ATOM 643 CA ARG A 44 0.920 -1.852 5.066 1.00 0.42 C ATOM 644 C ARG A 44 2.236 -2.039 4.322 1.00 0.40 C ATOM 645 O ARG A 44 2.284 -2.681 3.272 1.00 0.41 O ATOM 646 CB ARG A 44 0.431 -3.196 5.594 1.00 0.52 C ATOM 647 CG ARG A 44 -0.869 -3.053 6.380 1.00 0.78 C ATOM 648 CD ARG A 44 -0.663 -2.254 7.664 1.00 1.05 C ATOM 649 NE ARG A 44 -1.488 -2.796 8.736 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.256 -3.996 9.257 1.00 1.74 C ATOM 651 NH1 ARG A 44 -0.083 -4.264 9.812 1.00 2.27 N ATOM 652 NH2 ARG A 44 -2.197 -4.930 9.220 1.00 2.28 N ATOM 0 H ARG A 44 -0.149 -1.677 3.270 1.00 0.31 H new ATOM 0 HA ARG A 44 1.091 -1.173 5.902 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.279 -3.881 4.760 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.196 -3.636 6.233 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.618 -2.560 5.760 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.258 -4.041 6.624 1.00 0.78 H new ATOM 0 HD2 ARG A 44 0.387 -2.284 7.954 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -0.917 -1.208 7.494 1.00 1.05 H new ATOM 0 HE ARG A 44 -2.264 -2.240 9.096 1.00 1.31 H new ATOM 0 HH11 ARG A 44 0.643 -3.549 9.840 1.00 2.27 H new ATOM 0 HH12 ARG A 44 0.093 -5.186 10.212 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -3.100 -4.727 8.791 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -2.018 -5.851 9.620 1.00 2.28 H new ATOM 666 N ILE A 45 3.303 -1.484 4.887 1.00 0.46 N ATOM 667 CA ILE A 45 4.636 -1.589 4.303 1.00 0.47 C ATOM 668 C ILE A 45 5.471 -2.572 5.131 1.00 0.53 C ATOM 669 O ILE A 45 6.143 -2.178 6.084 1.00 0.64 O ATOM 670 CB ILE A 45 5.282 -0.189 4.253 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.758 0.590 3.045 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.812 -0.245 4.224 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.353 0.077 1.731 1.00 0.56 C ATOM 0 H ILE A 45 3.270 -0.952 5.757 1.00 0.46 H new ATOM 0 HA ILE A 45 4.580 -1.969 3.283 1.00 0.47 H new ATOM 0 HB ILE A 45 5.000 0.326 5.172 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.672 0.511 3.006 1.00 0.59 H new ATOM 0 HG13 ILE A 45 4.997 1.647 3.163 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.213 0.768 4.189 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.175 -0.748 5.120 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.139 -0.795 3.342 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.954 0.658 0.900 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.438 0.180 1.758 1.00 0.56 H new ATOM 0 HD13 ILE A 45 5.091 -0.973 1.599 1.00 0.56 H new ATOM 685 N PRO A 46 5.429 -3.869 4.776 1.00 0.48 N ATOM 686 CA PRO A 46 6.177 -4.912 5.495 1.00 0.58 C ATOM 687 C PRO A 46 7.683 -4.833 5.240 1.00 0.61 C ATOM 688 O PRO A 46 8.149 -5.117 4.137 1.00 0.56 O ATOM 689 CB PRO A 46 5.589 -6.214 4.950 1.00 0.57 C ATOM 690 CG PRO A 46 5.048 -5.866 3.604 1.00 0.47 C ATOM 691 CD PRO A 46 4.646 -4.418 3.654 1.00 0.41 C ATOM 0 HA PRO A 46 6.079 -4.815 6.576 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.350 -6.991 4.879 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.804 -6.595 5.603 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.799 -6.031 2.832 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.193 -6.496 3.357 1.00 0.47 H new ATOM 0 HD2 PRO A 46 4.876 -3.907 2.719 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.575 -4.307 3.823 1.00 0.41 H new ATOM 699 N PRO A 47 8.468 -4.449 6.263 1.00 0.74 N ATOM 700 CA PRO A 47 9.924 -4.340 6.134 1.00 0.81 C ATOM 701 C PRO A 47 10.608 -5.702 6.181 1.00 0.87 C ATOM 702 O PRO A 47 11.451 -5.953 7.042 1.00 1.53 O ATOM 703 CB PRO A 47 10.326 -3.480 7.329 1.00 0.98 C ATOM 704 CG PRO A 47 9.254 -3.684 8.348 1.00 1.03 C ATOM 705 CD PRO A 47 8.001 -4.095 7.615 1.00 0.85 C ATOM 0 HA PRO A 47 10.222 -3.911 5.177 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.299 -3.780 7.718 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.405 -2.430 7.048 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.548 -4.451 9.065 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.084 -2.768 8.914 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.515 -4.941 8.102 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.274 -3.284 7.585 1.00 0.85 H new ATOM 713 N ASP A 48 10.241 -6.579 5.253 1.00 1.32 N ATOM 714 CA ASP A 48 10.821 -7.916 5.193 1.00 1.46 C ATOM 715 C ASP A 48 12.125 -7.896 4.406 1.00 1.48 C ATOM 716 O ASP A 48 13.111 -8.517 4.803 1.00 2.18 O ATOM 717 CB ASP A 48 9.837 -8.885 4.544 1.00 2.16 C ATOM 718 CG ASP A 48 9.781 -8.649 3.040 1.00 2.56 C ATOM 719 OD1 ASP A 48 10.829 -8.313 2.450 1.00 3.01 O ATOM 720 OD2 ASP A 48 8.688 -8.802 2.453 1.00 3.03 O ATOM 0 H ASP A 48 9.545 -6.388 4.532 1.00 1.32 H new ATOM 0 HA ASP A 48 11.031 -8.249 6.209 1.00 1.46 H new ATOM 0 HB2 ASP A 48 10.139 -9.912 4.747 1.00 2.16 H new ATOM 0 HB3 ASP A 48 8.846 -8.753 4.977 1.00 2.16 H new ATOM 725 N SER A 49 12.125 -7.178 3.288 1.00 1.59 N ATOM 726 CA SER A 49 13.309 -7.074 2.444 1.00 2.11 C ATOM 727 C SER A 49 13.832 -8.460 2.085 1.00 1.90 C ATOM 728 O SER A 49 15.031 -8.725 2.177 1.00 2.33 O ATOM 729 CB SER A 49 14.395 -6.281 3.165 1.00 3.03 C ATOM 730 OG SER A 49 15.422 -5.906 2.261 1.00 3.81 O ATOM 0 H SER A 49 11.317 -6.659 2.945 1.00 1.59 H new ATOM 0 HA SER A 49 13.036 -6.555 1.525 1.00 2.11 H new ATOM 0 HB2 SER A 49 13.961 -5.391 3.621 1.00 3.03 H new ATOM 0 HB3 SER A 49 14.815 -6.880 3.973 1.00 3.03 H new ATOM 0 HG SER A 49 15.093 -5.985 1.341 1.00 3.81 H new ATOM 736 N GLU A 50 12.926 -9.340 1.673 1.00 1.92 N ATOM 737 CA GLU A 50 13.294 -10.700 1.297 1.00 2.27 C ATOM 738 C GLU A 50 13.320 -10.845 -0.219 1.00 2.09 C ATOM 739 O GLU A 50 12.384 -11.376 -0.817 1.00 2.74 O ATOM 740 CB GLU A 50 12.304 -11.692 1.899 1.00 3.06 C ATOM 741 CG GLU A 50 13.002 -12.964 2.371 1.00 3.83 C ATOM 742 CD GLU A 50 12.064 -13.790 3.241 1.00 4.43 C ATOM 743 OE1 GLU A 50 11.841 -13.407 4.409 1.00 4.97 O ATOM 744 OE2 GLU A 50 11.551 -14.820 2.754 1.00 4.75 O ATOM 0 H GLU A 50 11.930 -9.135 1.591 1.00 1.92 H new ATOM 0 HA GLU A 50 14.291 -10.911 1.683 1.00 2.27 H new ATOM 0 HB2 GLU A 50 11.787 -11.227 2.738 1.00 3.06 H new ATOM 0 HB3 GLU A 50 11.546 -11.946 1.158 1.00 3.06 H new ATOM 0 HG2 GLU A 50 13.323 -13.551 1.511 1.00 3.83 H new ATOM 0 HG3 GLU A 50 13.899 -12.707 2.934 1.00 3.83 H new ATOM 751 N LYS A 51 14.397 -10.370 -0.836 1.00 1.76 N ATOM 752 CA LYS A 51 14.549 -10.443 -2.284 1.00 1.77 C ATOM 753 C LYS A 51 13.423 -9.687 -2.978 1.00 1.55 C ATOM 754 O LYS A 51 13.588 -8.531 -3.369 1.00 2.20 O ATOM 755 CB LYS A 51 14.551 -11.901 -2.736 1.00 2.14 C ATOM 756 CG LYS A 51 15.837 -12.611 -2.327 1.00 2.60 C ATOM 757 CD LYS A 51 15.636 -13.456 -1.072 1.00 3.36 C ATOM 758 CE LYS A 51 15.506 -14.938 -1.410 1.00 4.12 C ATOM 759 NZ LYS A 51 15.523 -15.778 -0.180 1.00 4.81 N ATOM 0 H LYS A 51 15.180 -9.929 -0.353 1.00 1.76 H new ATOM 0 HA LYS A 51 15.498 -9.982 -2.556 1.00 1.77 H new ATOM 0 HB2 LYS A 51 13.695 -12.418 -2.303 1.00 2.14 H new ATOM 0 HB3 LYS A 51 14.437 -11.947 -3.819 1.00 2.14 H new ATOM 0 HG2 LYS A 51 16.178 -13.247 -3.144 1.00 2.60 H new ATOM 0 HG3 LYS A 51 16.620 -11.874 -2.149 1.00 2.60 H new ATOM 0 HD2 LYS A 51 16.477 -13.309 -0.395 1.00 3.36 H new ATOM 0 HD3 LYS A 51 14.741 -13.122 -0.547 1.00 3.36 H new ATOM 0 HE2 LYS A 51 14.578 -15.108 -1.956 1.00 4.12 H new ATOM 0 HE3 LYS A 51 16.323 -15.236 -2.068 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 15.433 -16.780 -0.443 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 16.419 -15.632 0.328 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 14.729 -15.509 0.435 1.00 4.81 H new ATOM 773 N SER A 52 12.275 -10.342 -3.125 1.00 1.19 N ATOM 774 CA SER A 52 11.121 -9.729 -3.768 1.00 1.04 C ATOM 775 C SER A 52 10.186 -9.135 -2.724 1.00 0.92 C ATOM 776 O SER A 52 9.749 -9.826 -1.804 1.00 1.19 O ATOM 777 CB SER A 52 10.375 -10.765 -4.603 1.00 1.25 C ATOM 778 OG SER A 52 9.365 -10.146 -5.383 1.00 2.03 O ATOM 0 H SER A 52 12.121 -11.299 -2.806 1.00 1.19 H new ATOM 0 HA SER A 52 11.471 -8.930 -4.421 1.00 1.04 H new ATOM 0 HB2 SER A 52 11.076 -11.288 -5.254 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.929 -11.514 -3.949 1.00 1.25 H new ATOM 0 HG SER A 52 8.898 -10.826 -5.913 1.00 2.03 H new ATOM 784 N ASN A 53 9.883 -7.849 -2.868 1.00 0.68 N ATOM 785 CA ASN A 53 9.002 -7.163 -1.935 1.00 0.61 C ATOM 786 C ASN A 53 7.551 -7.316 -2.361 1.00 0.59 C ATOM 787 O ASN A 53 7.259 -7.696 -3.494 1.00 0.99 O ATOM 788 CB ASN A 53 9.367 -5.684 -1.862 1.00 0.60 C ATOM 789 CG ASN A 53 10.651 -5.496 -1.062 1.00 0.89 C ATOM 790 OD1 ASN A 53 11.671 -6.123 -1.348 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.601 -4.629 -0.057 1.00 1.28 N ATOM 0 H ASN A 53 10.236 -7.262 -3.624 1.00 0.68 H new ATOM 0 HA ASN A 53 9.126 -7.612 -0.949 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.495 -5.284 -2.868 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.555 -5.124 -1.397 1.00 0.60 H new ATOM 0 HD21 ASN A 53 11.430 -4.461 0.513 1.00 1.28 H new ATOM 0 HD22 ASN A 53 9.734 -4.131 0.144 1.00 1.28 H new ATOM 798 N LEU A 54 6.646 -7.017 -1.440 1.00 0.55 N ATOM 799 CA LEU A 54 5.216 -7.116 -1.702 1.00 0.51 C ATOM 800 C LEU A 54 4.432 -6.348 -0.647 1.00 0.44 C ATOM 801 O LEU A 54 4.186 -6.854 0.447 1.00 0.57 O ATOM 802 CB LEU A 54 4.788 -8.581 -1.700 1.00 0.65 C ATOM 803 CG LEU A 54 4.151 -8.985 -3.027 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.097 -9.869 -3.833 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.819 -9.693 -2.793 1.00 1.49 C ATOM 0 H LEU A 54 6.878 -6.702 -0.498 1.00 0.55 H new ATOM 0 HA LEU A 54 5.008 -6.682 -2.680 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.654 -9.213 -1.505 1.00 0.65 H new ATOM 0 HB3 LEU A 54 4.080 -8.752 -0.889 1.00 0.65 H new ATOM 0 HG LEU A 54 3.959 -8.079 -3.602 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.623 -10.145 -4.775 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.019 -9.324 -4.037 1.00 1.49 H new ATOM 0 HD13 LEU A 54 5.326 -10.770 -3.264 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.382 -9.972 -3.752 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.983 -10.589 -2.194 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.139 -9.024 -2.266 1.00 1.49 H new ATOM 817 N ILE A 55 4.041 -5.121 -0.979 1.00 0.31 N ATOM 818 CA ILE A 55 3.283 -4.288 -0.052 1.00 0.26 C ATOM 819 C ILE A 55 1.833 -4.747 0.007 1.00 0.27 C ATOM 820 O ILE A 55 1.226 -5.048 -1.021 1.00 0.34 O ATOM 821 CB ILE A 55 3.354 -2.825 -0.474 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.807 -2.378 -0.624 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.624 -1.942 0.531 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.907 -0.991 -1.257 1.00 0.35 C ATOM 0 H ILE A 55 4.236 -4.683 -1.879 1.00 0.31 H new ATOM 0 HA ILE A 55 3.722 -4.387 0.941 1.00 0.26 H new ATOM 0 HB ILE A 55 2.863 -2.724 -1.442 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.288 -2.367 0.354 1.00 0.31 H new ATOM 0 HG13 ILE A 55 5.348 -3.098 -1.237 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.685 -0.901 0.213 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.578 -2.243 0.587 1.00 0.31 H new ATOM 0 HG23 ILE A 55 3.086 -2.049 1.512 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.955 -0.707 -1.347 1.00 0.35 H new ATOM 0 HD12 ILE A 55 4.449 -1.009 -2.246 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.388 -0.266 -0.630 1.00 0.35 H new ATOM 836 N ARG A 56 1.284 -4.809 1.215 1.00 0.29 N ATOM 837 CA ARG A 56 -0.093 -5.244 1.408 1.00 0.32 C ATOM 838 C ARG A 56 -1.042 -4.054 1.459 1.00 0.29 C ATOM 839 O ARG A 56 -0.748 -3.034 2.081 1.00 0.42 O ATOM 840 CB ARG A 56 -0.203 -6.049 2.698 1.00 0.42 C ATOM 841 CG ARG A 56 0.544 -7.372 2.592 1.00 0.55 C ATOM 842 CD ARG A 56 1.695 -7.450 3.589 1.00 0.84 C ATOM 843 NE ARG A 56 1.425 -8.466 4.598 1.00 1.44 N ATOM 844 CZ ARG A 56 1.756 -8.290 5.874 1.00 1.77 C ATOM 845 NH1 ARG A 56 1.432 -7.166 6.495 1.00 2.19 N ATOM 846 NH2 ARG A 56 2.412 -9.239 6.528 1.00 2.33 N ATOM 0 H ARG A 56 1.773 -4.563 2.076 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.376 -5.869 0.561 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.200 -5.467 3.527 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.253 -6.239 2.922 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.147 -8.196 2.769 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.930 -7.492 1.580 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.622 -7.685 3.066 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.836 -6.481 4.068 1.00 0.84 H new ATOM 0 HE ARG A 56 0.970 -9.335 4.318 1.00 1.44 H new ATOM 0 HH11 ARG A 56 0.928 -6.434 5.995 1.00 2.19 H new ATOM 0 HH12 ARG A 56 1.687 -7.032 7.474 1.00 2.19 H new ATOM 0 HH21 ARG A 56 2.664 -10.106 6.052 1.00 2.33 H new ATOM 0 HH22 ARG A 56 2.665 -9.102 7.507 1.00 2.33 H new ATOM 860 N ILE A 57 -2.189 -4.203 0.805 1.00 0.24 N ATOM 861 CA ILE A 57 -3.201 -3.154 0.773 1.00 0.24 C ATOM 862 C ILE A 57 -4.591 -3.766 0.882 1.00 0.26 C ATOM 863 O ILE A 57 -4.812 -4.902 0.460 1.00 0.40 O ATOM 864 CB ILE A 57 -3.090 -2.353 -0.519 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.632 -2.023 -0.827 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.921 -1.077 -0.436 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.052 -1.040 0.185 1.00 1.32 C ATOM 0 H ILE A 57 -2.442 -5.045 0.287 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.037 -2.486 1.619 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.482 -2.965 -1.332 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.042 -2.940 -0.823 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.558 -1.600 -1.829 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.827 -0.521 -1.369 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -4.967 -1.334 -0.270 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.563 -0.463 0.390 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.013 -0.829 -0.067 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.626 -0.114 0.163 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.102 -1.474 1.184 1.00 1.32 H new ATOM 879 N GLU A 58 -5.527 -3.014 1.450 1.00 0.23 N ATOM 880 CA GLU A 58 -6.895 -3.496 1.611 1.00 0.25 C ATOM 881 C GLU A 58 -7.790 -2.407 2.181 1.00 0.24 C ATOM 882 O GLU A 58 -7.380 -1.633 3.046 1.00 0.26 O ATOM 883 CB GLU A 58 -6.912 -4.717 2.526 1.00 0.32 C ATOM 884 CG GLU A 58 -8.329 -5.239 2.749 1.00 0.37 C ATOM 885 CD GLU A 58 -8.400 -6.040 4.043 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.610 -6.995 4.196 1.00 1.56 O ATOM 887 OE2 GLU A 58 -9.246 -5.711 4.901 1.00 1.47 O ATOM 0 H GLU A 58 -5.365 -2.072 1.806 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.278 -3.776 0.630 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.298 -5.506 2.091 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.465 -4.458 3.486 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -9.029 -4.404 2.791 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.630 -5.865 1.909 1.00 0.37 H new ATOM 894 N GLY A 59 -9.016 -2.358 1.679 1.00 0.25 N ATOM 895 CA GLY A 59 -9.998 -1.378 2.113 1.00 0.27 C ATOM 896 C GLY A 59 -11.395 -1.952 1.965 1.00 0.39 C ATOM 897 O GLY A 59 -11.620 -3.128 2.258 1.00 0.59 O ATOM 0 H GLY A 59 -9.356 -2.997 0.960 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.816 -1.102 3.152 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.904 -0.468 1.521 1.00 0.27 H new ATOM 901 N ASP A 60 -12.337 -1.137 1.509 1.00 0.53 N ATOM 902 CA ASP A 60 -13.697 -1.605 1.335 1.00 0.70 C ATOM 903 C ASP A 60 -14.299 -1.144 0.010 1.00 0.59 C ATOM 904 O ASP A 60 -14.747 -1.970 -0.785 1.00 1.04 O ATOM 905 CB ASP A 60 -14.560 -1.130 2.493 1.00 1.22 C ATOM 906 CG ASP A 60 -15.411 -2.273 3.028 1.00 1.93 C ATOM 907 OD1 ASP A 60 -14.877 -3.109 3.788 1.00 2.66 O ATOM 908 OD2 ASP A 60 -16.611 -2.332 2.688 1.00 2.31 O ATOM 0 H ASP A 60 -12.183 -0.161 1.257 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.670 -2.695 1.319 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.927 -0.737 3.289 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.203 -0.313 2.164 1.00 1.22 H new ATOM 913 N PRO A 61 -14.339 0.174 -0.253 1.00 0.72 N ATOM 914 CA PRO A 61 -14.910 0.705 -1.483 1.00 1.14 C ATOM 915 C PRO A 61 -13.853 0.906 -2.561 1.00 0.88 C ATOM 916 O PRO A 61 -12.730 0.416 -2.440 1.00 1.22 O ATOM 917 CB PRO A 61 -15.501 2.034 -1.022 1.00 1.82 C ATOM 918 CG PRO A 61 -14.718 2.433 0.199 1.00 1.82 C ATOM 919 CD PRO A 61 -13.856 1.264 0.604 1.00 1.17 C ATOM 0 HA PRO A 61 -15.640 0.038 -1.942 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.418 2.790 -1.803 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.561 1.930 -0.790 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -14.101 3.306 -0.013 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -15.392 2.708 1.010 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.798 1.468 0.438 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -13.972 1.026 1.661 1.00 1.17 H new ATOM 927 N GLN A 62 -14.213 1.636 -3.610 1.00 0.64 N ATOM 928 CA GLN A 62 -13.287 1.909 -4.702 1.00 0.47 C ATOM 929 C GLN A 62 -11.980 2.480 -4.160 1.00 0.41 C ATOM 930 O GLN A 62 -10.935 2.383 -4.802 1.00 0.47 O ATOM 931 CB GLN A 62 -13.914 2.893 -5.685 1.00 0.69 C ATOM 932 CG GLN A 62 -15.222 2.355 -6.260 1.00 0.85 C ATOM 933 CD GLN A 62 -15.687 3.225 -7.421 1.00 1.34 C ATOM 934 OE1 GLN A 62 -15.602 2.829 -8.582 1.00 2.14 O ATOM 935 NE2 GLN A 62 -16.182 4.417 -7.105 1.00 1.73 N ATOM 0 H GLN A 62 -15.138 2.049 -3.727 1.00 0.64 H new ATOM 0 HA GLN A 62 -13.074 0.974 -5.219 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.100 3.842 -5.182 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.214 3.094 -6.496 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -15.083 1.328 -6.599 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.987 2.334 -5.484 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.234 4.705 -6.128 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -16.510 5.044 -7.840 1.00 1.73 H new ATOM 944 N GLY A 63 -12.050 3.084 -2.976 1.00 0.37 N ATOM 945 CA GLY A 63 -10.882 3.680 -2.345 1.00 0.34 C ATOM 946 C GLY A 63 -9.699 2.718 -2.312 1.00 0.27 C ATOM 947 O GLY A 63 -8.559 3.128 -2.528 1.00 0.29 O ATOM 0 H GLY A 63 -12.910 3.172 -2.434 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.600 4.584 -2.885 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -11.133 3.981 -1.328 1.00 0.34 H new ATOM 951 N VAL A 64 -9.960 1.442 -2.027 1.00 0.24 N ATOM 952 CA VAL A 64 -8.884 0.459 -1.957 1.00 0.21 C ATOM 953 C VAL A 64 -8.260 0.226 -3.331 1.00 0.24 C ATOM 954 O VAL A 64 -7.039 0.272 -3.479 1.00 0.28 O ATOM 955 CB VAL A 64 -9.372 -0.865 -1.353 1.00 0.24 C ATOM 956 CG1 VAL A 64 -10.182 -1.691 -2.348 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.173 -1.666 -0.860 1.00 0.26 C ATOM 0 H VAL A 64 -10.892 1.071 -1.844 1.00 0.24 H new ATOM 0 HA VAL A 64 -8.116 0.865 -1.299 1.00 0.21 H new ATOM 0 HB VAL A 64 -10.034 -0.629 -0.520 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.505 -2.618 -1.874 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -11.056 -1.123 -2.666 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.565 -1.923 -3.216 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.516 -2.607 -0.430 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.504 -1.871 -1.696 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.640 -1.093 -0.101 1.00 0.26 H new ATOM 967 N GLN A 65 -9.096 -0.025 -4.334 1.00 0.25 N ATOM 968 CA GLN A 65 -8.604 -0.263 -5.688 1.00 0.30 C ATOM 969 C GLN A 65 -7.960 0.998 -6.246 1.00 0.30 C ATOM 970 O GLN A 65 -7.037 0.928 -7.058 1.00 0.34 O ATOM 971 CB GLN A 65 -9.744 -0.713 -6.596 1.00 0.37 C ATOM 972 CG GLN A 65 -10.768 0.399 -6.810 1.00 0.42 C ATOM 973 CD GLN A 65 -11.722 0.032 -7.939 1.00 0.78 C ATOM 974 OE1 GLN A 65 -11.885 -1.141 -8.273 1.00 1.56 O ATOM 975 NE2 GLN A 65 -12.354 1.040 -8.530 1.00 0.82 N ATOM 0 H GLN A 65 -10.110 -0.069 -4.237 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.854 -1.053 -5.649 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.340 -1.026 -7.559 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.236 -1.582 -6.159 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.330 0.567 -5.891 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.257 1.332 -7.046 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -12.188 1.998 -8.220 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -13.005 0.856 -9.294 1.00 0.82 H new ATOM 984 N GLN A 66 -8.448 2.151 -5.802 1.00 0.29 N ATOM 985 CA GLN A 66 -7.916 3.431 -6.250 1.00 0.31 C ATOM 986 C GLN A 66 -6.567 3.699 -5.598 1.00 0.29 C ATOM 987 O GLN A 66 -5.623 4.136 -6.257 1.00 0.36 O ATOM 988 CB GLN A 66 -8.893 4.553 -5.905 1.00 0.35 C ATOM 989 CG GLN A 66 -9.783 4.907 -7.092 1.00 0.79 C ATOM 990 CD GLN A 66 -10.576 6.174 -6.800 1.00 1.10 C ATOM 991 OE1 GLN A 66 -10.230 6.943 -5.903 1.00 2.03 O ATOM 992 NE2 GLN A 66 -11.643 6.392 -7.559 1.00 1.31 N ATOM 0 H GLN A 66 -9.213 2.225 -5.131 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.783 3.395 -7.331 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.514 4.249 -5.062 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.337 5.436 -5.590 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.172 5.050 -7.983 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.465 4.083 -7.302 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.892 5.727 -8.291 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -12.213 7.224 -7.410 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.481 3.426 -4.300 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.246 3.630 -3.554 1.00 0.27 C ATOM 1003 C ALA A 67 -4.188 2.632 -4.004 1.00 0.26 C ATOM 1004 O ALA A 67 -3.012 2.973 -4.129 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.505 3.476 -2.059 1.00 0.29 C ATOM 0 H ALA A 67 -7.254 3.062 -3.743 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.883 4.639 -3.748 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.576 3.630 -1.511 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -6.241 4.213 -1.739 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.883 2.474 -1.857 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.615 1.398 -4.255 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.704 0.349 -4.700 1.00 0.28 C ATOM 1013 C LYS A 68 -3.059 0.744 -6.021 1.00 0.31 C ATOM 1014 O LYS A 68 -1.845 0.625 -6.192 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.462 -0.966 -4.862 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.560 -2.070 -5.406 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.206 -2.795 -6.583 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.188 -3.627 -7.359 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.384 -3.490 -8.830 1.00 0.88 N ATOM 0 H LYS A 68 -5.586 1.100 -4.158 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.923 0.218 -3.951 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.872 -1.271 -3.899 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.306 -0.820 -5.536 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.608 -1.641 -5.720 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.341 -2.785 -4.613 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.004 -3.442 -6.219 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.666 -2.067 -7.251 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.179 -3.311 -7.094 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.279 -4.675 -7.074 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -2.677 -4.067 -9.330 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.339 -3.814 -9.085 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -3.273 -2.493 -9.104 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.880 1.224 -6.951 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.397 1.647 -8.256 1.00 0.43 C ATOM 1035 C ARG A 69 -2.542 2.901 -8.118 1.00 0.42 C ATOM 1036 O ARG A 69 -1.567 3.084 -8.847 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.580 1.922 -9.178 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.350 1.346 -10.571 1.00 1.02 C ATOM 1039 CD ARG A 69 -5.160 2.089 -11.629 1.00 1.36 C ATOM 1040 NE ARG A 69 -4.696 1.734 -12.965 1.00 1.81 N ATOM 1041 CZ ARG A 69 -4.080 2.615 -13.746 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -4.707 3.722 -14.124 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -2.838 2.391 -14.152 1.00 2.98 N ATOM 0 H ARG A 69 -4.886 1.329 -6.821 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.786 0.852 -8.684 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.484 1.490 -8.750 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.744 2.997 -9.250 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.290 1.403 -10.818 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -4.623 0.291 -10.578 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -6.217 1.843 -11.527 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -5.067 3.165 -11.479 1.00 1.36 H new ATOM 0 HE ARG A 69 -4.848 0.786 -13.309 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -5.663 3.897 -13.815 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -4.233 4.397 -14.724 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -2.353 1.541 -13.865 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -2.367 3.069 -14.752 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.914 3.758 -7.173 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.182 4.996 -6.928 1.00 0.43 C ATOM 1059 C GLU A 70 -0.739 4.692 -6.553 1.00 0.44 C ATOM 1060 O GLU A 70 0.171 5.458 -6.872 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.854 5.784 -5.807 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.254 7.179 -5.663 1.00 0.59 C ATOM 1063 CD GLU A 70 -2.696 8.066 -6.819 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -2.022 8.055 -7.870 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -3.717 8.771 -6.672 1.00 1.38 O ATOM 0 H GLU A 70 -3.719 3.618 -6.563 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.189 5.593 -7.840 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.922 5.866 -6.009 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.748 5.243 -4.867 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.566 7.621 -4.717 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.166 7.114 -5.641 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.535 3.567 -5.874 1.00 0.40 N ATOM 1073 CA LEU A 71 0.798 3.155 -5.454 1.00 0.47 C ATOM 1074 C LEU A 71 1.574 2.584 -6.634 1.00 0.52 C ATOM 1075 O LEU A 71 2.736 2.927 -6.848 1.00 0.60 O ATOM 1076 CB LEU A 71 0.695 2.111 -4.347 1.00 0.51 C ATOM 1077 CG LEU A 71 0.120 2.707 -3.066 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.560 1.630 -2.228 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.208 3.412 -2.261 1.00 1.15 C ATOM 0 H LEU A 71 -1.279 2.924 -5.603 1.00 0.40 H new ATOM 0 HA LEU A 71 1.330 4.028 -5.075 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.065 1.287 -4.681 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.682 1.695 -4.145 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.631 3.447 -3.343 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.963 2.077 -1.319 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.370 1.180 -2.802 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.167 0.862 -1.963 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.775 3.829 -1.352 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.987 2.696 -1.997 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.640 4.215 -2.859 1.00 1.15 H new ATOM 1091 N LEU A 72 0.924 1.713 -7.398 1.00 0.52 N ATOM 1092 CA LEU A 72 1.553 1.097 -8.559 1.00 0.63 C ATOM 1093 C LEU A 72 1.891 2.149 -9.612 1.00 0.67 C ATOM 1094 O LEU A 72 2.749 1.928 -10.466 1.00 0.83 O ATOM 1095 CB LEU A 72 0.626 0.042 -9.159 1.00 0.66 C ATOM 1096 CG LEU A 72 0.784 -1.308 -8.464 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.555 -2.039 -8.395 1.00 1.99 C ATOM 1098 CD2 LEU A 72 1.828 -2.164 -9.177 1.00 1.04 C ATOM 0 H LEU A 72 -0.038 1.418 -7.234 1.00 0.52 H new ATOM 0 HA LEU A 72 2.478 0.620 -8.235 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.408 0.376 -9.075 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.840 -0.068 -10.222 1.00 0.66 H new ATOM 0 HG LEU A 72 1.128 -1.128 -7.446 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.420 -2.999 -7.896 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -1.270 -1.436 -7.835 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -0.932 -2.205 -9.404 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.925 -3.121 -8.665 1.00 1.04 H new ATOM 0 HD22 LEU A 72 1.517 -2.333 -10.208 1.00 1.04 H new ATOM 0 HD23 LEU A 72 2.789 -1.649 -9.168 1.00 1.04 H new ATOM 1110 N GLU A 73 1.213 3.292 -9.547 1.00 0.64 N ATOM 1111 CA GLU A 73 1.445 4.374 -10.497 1.00 0.74 C ATOM 1112 C GLU A 73 2.445 5.379 -9.937 1.00 0.71 C ATOM 1113 O GLU A 73 3.324 5.859 -10.653 1.00 0.88 O ATOM 1114 CB GLU A 73 0.130 5.078 -10.815 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.700 4.290 -11.825 1.00 1.00 C ATOM 1116 CD GLU A 73 -1.157 5.199 -12.958 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -1.676 6.296 -12.669 1.00 2.05 O ATOM 1118 OE2 GLU A 73 -0.994 4.811 -14.134 1.00 2.01 O ATOM 0 H GLU A 73 0.499 3.492 -8.846 1.00 0.64 H new ATOM 0 HA GLU A 73 1.857 3.946 -11.411 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.443 5.211 -9.897 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.336 6.073 -11.210 1.00 0.82 H new ATOM 0 HG2 GLU A 73 -0.110 3.466 -12.226 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.566 3.851 -11.330 1.00 1.00 H new ATOM 1125 N LEU A 74 2.304 5.699 -8.654 1.00 0.64 N ATOM 1126 CA LEU A 74 3.194 6.651 -7.999 1.00 0.71 C ATOM 1127 C LEU A 74 4.413 5.943 -7.424 1.00 0.82 C ATOM 1128 O LEU A 74 5.533 6.125 -7.903 1.00 1.13 O ATOM 1129 CB LEU A 74 2.449 7.381 -6.885 1.00 0.85 C ATOM 1130 CG LEU A 74 1.337 8.267 -7.441 1.00 0.99 C ATOM 1131 CD1 LEU A 74 0.662 9.051 -6.319 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.884 9.214 -8.507 1.00 1.32 C ATOM 0 H LEU A 74 1.581 5.312 -8.047 1.00 0.64 H new ATOM 0 HA LEU A 74 3.530 7.373 -8.743 1.00 0.71 H new ATOM 0 HB2 LEU A 74 2.024 6.654 -6.193 1.00 0.85 H new ATOM 0 HB3 LEU A 74 3.151 7.991 -6.316 1.00 0.85 H new ATOM 0 HG LEU A 74 0.589 7.625 -7.907 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.127 9.676 -6.736 1.00 1.19 H new ATOM 0 HD12 LEU A 74 0.232 8.356 -5.598 1.00 1.19 H new ATOM 0 HD13 LEU A 74 1.399 9.681 -5.821 1.00 1.19 H new ATOM 0 HD21 LEU A 74 1.075 9.836 -8.890 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.654 9.849 -8.069 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.313 8.634 -9.324 1.00 1.32 H new ATOM 1144 N ALA A 75 4.189 5.132 -6.393 1.00 0.78 N ATOM 1145 CA ALA A 75 5.266 4.389 -5.744 1.00 0.99 C ATOM 1146 C ALA A 75 6.147 3.698 -6.779 1.00 1.70 C ATOM 1147 O ALA A 75 7.375 3.763 -6.707 1.00 2.16 O ATOM 1148 CB ALA A 75 4.680 3.354 -4.790 1.00 1.14 C ATOM 0 H ALA A 75 3.267 4.972 -5.988 1.00 0.78 H new ATOM 0 HA ALA A 75 5.880 5.093 -5.182 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.489 2.803 -4.309 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.082 3.857 -4.030 1.00 1.14 H new ATOM 0 HB3 ALA A 75 4.050 2.661 -5.348 1.00 1.14 H new