USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=9 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 21 HIS : no HE2:sc= -5.54! C(o=-8!,f=-8.8!) USER MOD Set 1.2: A 53 ASN : amide:sc= -2.44 K(o=-8,f=-12!) USER MOD Single : A 9 MET CE :methyl -161:sc= -0.0718 (180deg=-0.504) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -4.51! C(o=-4.5!,f=-5.9!) USER MOD Single : A 18 HIS : no HD1:sc= -0.0262 X(o=-0.026,f=-0.052) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= -0.0424 (180deg=-0.26) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0868 K(o=-0.087,f=-2!) USER MOD Single : A 33 ASN : amide:sc= -0.0286 X(o=-0.029,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.11) 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 158:sc= 0.0349 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 63:sc= 0.22 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.34 K(o=-0.34,f=-2!) USER MOD Single : A 66 GLN : amide:sc= -0.0978 X(o=-0.098,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= -0.0186 (180deg=-0.0186) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -14.706 -7.566 2.828 1.00 1.18 N ATOM 59 CA MET A 9 -13.713 -6.520 2.615 1.00 0.82 C ATOM 60 C MET A 9 -12.975 -6.748 1.301 1.00 0.72 C ATOM 61 O MET A 9 -13.210 -7.739 0.611 1.00 0.97 O ATOM 62 CB MET A 9 -12.719 -6.502 3.774 1.00 1.08 C ATOM 63 CG MET A 9 -12.725 -5.159 4.497 1.00 1.61 C ATOM 64 SD MET A 9 -11.644 -5.146 5.938 1.00 2.27 S ATOM 65 CE MET A 9 -12.513 -6.287 7.025 1.00 2.82 C ATOM 0 HA MET A 9 -14.224 -5.558 2.567 1.00 0.82 H new ATOM 0 HB2 MET A 9 -12.966 -7.296 4.478 1.00 1.08 H new ATOM 0 HB3 MET A 9 -11.717 -6.709 3.398 1.00 1.08 H new ATOM 0 HG2 MET A 9 -12.413 -4.376 3.806 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.742 -4.922 4.808 1.00 1.61 H new ATOM 0 HE1 MET A 9 -12.179 -6.137 8.052 1.00 2.82 H new ATOM 0 HE2 MET A 9 -13.586 -6.104 6.962 1.00 2.82 H new ATOM 0 HE3 MET A 9 -12.301 -7.312 6.721 1.00 2.82 H new ATOM 75 N ASP A 10 -12.083 -5.824 0.961 1.00 0.49 N ATOM 76 CA ASP A 10 -11.311 -5.925 -0.273 1.00 0.42 C ATOM 77 C ASP A 10 -9.826 -5.748 0.008 1.00 0.38 C ATOM 78 O ASP A 10 -9.396 -4.697 0.483 1.00 0.54 O ATOM 79 CB ASP A 10 -11.778 -4.869 -1.269 1.00 0.44 C ATOM 80 CG ASP A 10 -13.219 -5.133 -1.685 1.00 0.86 C ATOM 81 OD1 ASP A 10 -14.122 -4.974 -0.837 1.00 1.53 O ATOM 82 OD2 ASP A 10 -13.442 -5.500 -2.858 1.00 1.55 O ATOM 0 H ASP A 10 -11.876 -4.997 1.522 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.470 -6.916 -0.699 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.697 -3.878 -0.823 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.132 -4.877 -2.147 1.00 0.44 H new ATOM 87 N TYR A 11 -9.044 -6.782 -0.286 1.00 0.40 N ATOM 88 CA TYR A 11 -7.604 -6.737 -0.065 1.00 0.37 C ATOM 89 C TYR A 11 -6.853 -7.034 -1.356 1.00 0.34 C ATOM 90 O TYR A 11 -7.371 -7.705 -2.248 1.00 0.38 O ATOM 91 CB TYR A 11 -7.208 -7.745 1.008 1.00 0.42 C ATOM 92 CG TYR A 11 -7.450 -9.175 0.590 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.616 -9.779 -0.333 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.508 -9.888 1.128 1.00 0.54 C ATOM 95 CE1 TYR A 11 -6.837 -11.090 -0.718 1.00 0.67 C ATOM 96 CE2 TYR A 11 -8.729 -11.199 0.745 1.00 0.63 C ATOM 97 CZ TYR A 11 -7.893 -11.794 -0.177 1.00 0.67 C ATOM 98 OH TYR A 11 -8.112 -13.098 -0.558 1.00 0.78 O ATOM 0 H TYR A 11 -9.384 -7.660 -0.678 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.338 -5.734 0.269 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.153 -7.616 1.249 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.770 -7.538 1.919 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.790 -9.226 -0.755 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.162 -9.420 1.848 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -6.185 -11.560 -1.439 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.553 -11.755 1.167 1.00 0.63 H new ATOM 0 HH TYR A 11 -8.894 -13.450 -0.084 1.00 0.78 H new ATOM 108 N VAL A 12 -5.630 -6.523 -1.450 1.00 0.34 N ATOM 109 CA VAL A 12 -4.804 -6.725 -2.632 1.00 0.34 C ATOM 110 C VAL A 12 -3.403 -6.170 -2.399 1.00 0.35 C ATOM 111 O VAL A 12 -3.237 -4.998 -2.059 1.00 0.51 O ATOM 112 CB VAL A 12 -5.454 -6.036 -3.830 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.800 -4.590 -3.488 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.552 -6.102 -5.062 1.00 0.81 C ATOM 0 H VAL A 12 -5.189 -5.965 -0.719 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.721 -7.793 -2.834 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.376 -6.566 -4.067 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -6.262 -4.112 -4.352 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -6.494 -4.571 -2.648 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.891 -4.052 -3.220 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -5.042 -5.603 -5.899 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.606 -5.606 -4.847 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.365 -7.144 -5.320 1.00 0.81 H new ATOM 124 N GLU A 13 -2.397 -7.019 -2.580 1.00 0.49 N ATOM 125 CA GLU A 13 -1.010 -6.616 -2.388 1.00 0.54 C ATOM 126 C GLU A 13 -0.318 -6.419 -3.731 1.00 0.50 C ATOM 127 O GLU A 13 -0.391 -7.278 -4.609 1.00 0.60 O ATOM 128 CB GLU A 13 -0.271 -7.672 -1.572 1.00 0.67 C ATOM 129 CG GLU A 13 -0.158 -8.989 -2.332 1.00 1.05 C ATOM 130 CD GLU A 13 0.126 -10.132 -1.365 1.00 1.43 C ATOM 131 OE1 GLU A 13 -0.319 -10.050 -0.200 1.00 1.97 O ATOM 132 OE2 GLU A 13 0.791 -11.106 -1.773 1.00 2.05 O ATOM 0 H GLU A 13 -2.517 -7.992 -2.860 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.995 -5.669 -1.848 1.00 0.54 H new ATOM 0 HB2 GLU A 13 0.726 -7.308 -1.322 1.00 0.67 H new ATOM 0 HB3 GLU A 13 -0.795 -7.838 -0.631 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.082 -9.184 -2.876 1.00 1.05 H new ATOM 0 HG3 GLU A 13 0.639 -8.923 -3.072 1.00 1.05 H new ATOM 139 N ILE A 14 0.355 -5.282 -3.884 1.00 0.48 N ATOM 140 CA ILE A 14 1.063 -4.970 -5.120 1.00 0.49 C ATOM 141 C ILE A 14 2.535 -5.342 -5.001 1.00 0.48 C ATOM 142 O ILE A 14 3.116 -5.276 -3.917 1.00 0.43 O ATOM 143 CB ILE A 14 0.928 -3.486 -5.439 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.373 -2.639 -4.249 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.504 -3.143 -5.837 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.825 -1.249 -4.687 1.00 0.63 C ATOM 0 H ILE A 14 0.424 -4.561 -3.166 1.00 0.48 H new ATOM 0 HA ILE A 14 0.620 -5.552 -5.928 1.00 0.49 H new ATOM 0 HB ILE A 14 1.577 -3.260 -6.285 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.551 -2.548 -3.539 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.189 -3.141 -3.729 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.575 -2.078 -6.060 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.784 -3.718 -6.720 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -1.178 -3.387 -5.016 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.134 -0.675 -3.814 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.664 -1.340 -5.377 1.00 0.63 H new ATOM 0 HD13 ILE A 14 1.000 -0.738 -5.184 1.00 0.63 H new ATOM 158 N ASN A 15 3.134 -5.732 -6.122 1.00 0.59 N ATOM 159 CA ASN A 15 4.539 -6.117 -6.147 1.00 0.62 C ATOM 160 C ASN A 15 5.435 -4.886 -6.201 1.00 0.60 C ATOM 161 O ASN A 15 5.180 -3.951 -6.960 1.00 0.78 O ATOM 162 CB ASN A 15 4.813 -7.010 -7.354 1.00 0.79 C ATOM 163 CG ASN A 15 4.486 -8.461 -7.024 1.00 1.31 C ATOM 164 OD1 ASN A 15 5.369 -9.318 -6.996 1.00 2.20 O ATOM 165 ND2 ASN A 15 3.212 -8.738 -6.773 1.00 1.54 N ATOM 0 H ASN A 15 2.666 -5.789 -7.026 1.00 0.59 H new ATOM 0 HA ASN A 15 4.761 -6.667 -5.233 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.214 -6.679 -8.203 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.859 -6.924 -7.649 1.00 0.79 H new ATOM 0 HD21 ASN A 15 2.933 -9.692 -6.546 1.00 1.54 H new ATOM 0 HD22 ASN A 15 2.513 -7.996 -6.807 1.00 1.54 H new ATOM 172 N ILE A 16 6.490 -4.895 -5.392 1.00 0.49 N ATOM 173 CA ILE A 16 7.433 -3.784 -5.344 1.00 0.49 C ATOM 174 C ILE A 16 8.856 -4.304 -5.193 1.00 0.56 C ATOM 175 O ILE A 16 9.077 -5.386 -4.652 1.00 0.66 O ATOM 176 CB ILE A 16 7.094 -2.861 -4.179 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.671 -2.328 -4.312 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.090 -1.709 -4.092 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.517 -1.443 -5.545 1.00 0.84 C ATOM 0 H ILE A 16 6.713 -5.663 -4.759 1.00 0.49 H new ATOM 0 HA ILE A 16 7.359 -3.225 -6.277 1.00 0.49 H new ATOM 0 HB ILE A 16 7.161 -3.440 -3.258 1.00 0.48 H new ATOM 0 HG12 ILE A 16 4.973 -3.163 -4.373 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.410 -1.759 -3.420 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.828 -1.064 -3.253 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.094 -2.107 -3.944 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.061 -1.132 -5.016 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.491 -1.081 -5.607 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.197 -0.594 -5.471 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.753 -2.020 -6.439 1.00 0.84 H new ATOM 191 N ASP A 17 9.821 -3.530 -5.680 1.00 0.63 N ATOM 192 CA ASP A 17 11.223 -3.920 -5.601 1.00 0.75 C ATOM 193 C ASP A 17 12.133 -2.733 -5.888 1.00 1.00 C ATOM 194 O ASP A 17 13.244 -2.901 -6.390 1.00 1.75 O ATOM 195 CB ASP A 17 11.500 -5.033 -6.601 1.00 1.27 C ATOM 196 CG ASP A 17 11.981 -6.287 -5.883 1.00 1.63 C ATOM 197 OD1 ASP A 17 13.143 -6.303 -5.427 1.00 2.16 O ATOM 198 OD2 ASP A 17 11.195 -7.253 -5.780 1.00 2.21 O ATOM 0 H ASP A 17 9.657 -2.631 -6.133 1.00 0.63 H new ATOM 0 HA ASP A 17 11.428 -4.274 -4.591 1.00 0.75 H new ATOM 0 HB2 ASP A 17 10.595 -5.255 -7.167 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.253 -4.706 -7.319 1.00 1.27 H new ATOM 203 N HIS A 18 11.661 -1.536 -5.566 1.00 1.27 N ATOM 204 CA HIS A 18 12.438 -0.324 -5.789 1.00 1.85 C ATOM 205 C HIS A 18 12.722 0.372 -4.468 1.00 1.32 C ATOM 206 O HIS A 18 12.711 1.600 -4.389 1.00 2.00 O ATOM 207 CB HIS A 18 11.679 0.618 -6.720 1.00 2.83 C ATOM 208 CG HIS A 18 12.576 1.590 -7.424 1.00 3.48 C ATOM 209 ND1 HIS A 18 13.498 1.215 -8.365 1.00 4.01 N ATOM 210 CD2 HIS A 18 12.698 2.939 -7.331 1.00 4.16 C ATOM 211 CE1 HIS A 18 14.150 2.258 -8.826 1.00 4.73 C ATOM 212 NE2 HIS A 18 13.685 3.335 -8.214 1.00 4.84 N ATOM 0 H HIS A 18 10.743 -1.378 -5.149 1.00 1.27 H new ATOM 0 HA HIS A 18 13.386 -0.597 -6.252 1.00 1.85 H new ATOM 0 HB2 HIS A 18 11.137 0.030 -7.460 1.00 2.83 H new ATOM 0 HB3 HIS A 18 10.936 1.169 -6.144 1.00 2.83 H new ATOM 0 HD2 HIS A 18 12.126 3.587 -6.683 1.00 4.16 H new ATOM 0 HE1 HIS A 18 14.929 2.240 -9.574 1.00 4.73 H new ATOM 0 HE2 HIS A 18 14.001 4.293 -8.367 1.00 4.84 H new ATOM 220 N LYS A 19 12.970 -0.418 -3.426 1.00 0.82 N ATOM 221 CA LYS A 19 13.250 0.126 -2.103 1.00 0.84 C ATOM 222 C LYS A 19 12.187 1.147 -1.720 1.00 0.77 C ATOM 223 O LYS A 19 12.446 2.075 -0.953 1.00 1.13 O ATOM 224 CB LYS A 19 14.628 0.779 -2.097 1.00 1.47 C ATOM 225 CG LYS A 19 15.658 -0.076 -2.832 1.00 1.97 C ATOM 226 CD LYS A 19 17.068 0.154 -2.295 1.00 2.72 C ATOM 227 CE LYS A 19 18.129 -0.347 -3.271 1.00 3.37 C ATOM 228 NZ LYS A 19 19.379 -0.737 -2.560 1.00 4.03 N ATOM 0 H LYS A 19 12.982 -1.437 -3.474 1.00 0.82 H new ATOM 0 HA LYS A 19 13.235 -0.685 -1.374 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.568 1.761 -2.566 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.952 0.936 -1.068 1.00 1.47 H new ATOM 0 HG2 LYS A 19 15.397 -1.129 -2.729 1.00 1.97 H new ATOM 0 HG3 LYS A 19 15.631 0.157 -3.897 1.00 1.97 H new ATOM 0 HD2 LYS A 19 17.218 1.217 -2.108 1.00 2.72 H new ATOM 0 HD3 LYS A 19 17.182 -0.357 -1.339 1.00 2.72 H new ATOM 0 HE2 LYS A 19 17.742 -1.202 -3.825 1.00 3.37 H new ATOM 0 HE3 LYS A 19 18.351 0.432 -4.001 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 20.081 -1.073 -3.250 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 19.760 0.086 -2.051 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 19.170 -1.497 -1.881 1.00 4.03 H new ATOM 242 N PHE A 20 10.990 0.973 -2.273 1.00 0.63 N ATOM 243 CA PHE A 20 9.880 1.881 -2.010 1.00 0.61 C ATOM 244 C PHE A 20 9.470 1.844 -0.544 1.00 0.62 C ATOM 245 O PHE A 20 9.134 2.872 0.038 1.00 0.95 O ATOM 246 CB PHE A 20 8.689 1.507 -2.889 1.00 0.62 C ATOM 247 CG PHE A 20 8.411 2.528 -3.960 1.00 0.75 C ATOM 248 CD1 PHE A 20 8.204 3.854 -3.621 1.00 1.08 C ATOM 249 CD2 PHE A 20 8.360 2.142 -5.288 1.00 0.96 C ATOM 250 CE1 PHE A 20 7.945 4.790 -4.607 1.00 1.26 C ATOM 251 CE2 PHE A 20 8.102 3.077 -6.274 1.00 1.17 C ATOM 252 CZ PHE A 20 7.902 4.412 -5.926 1.00 1.19 C ATOM 0 H PHE A 20 10.764 0.208 -2.909 1.00 0.63 H new ATOM 0 HA PHE A 20 10.207 2.894 -2.245 1.00 0.61 H new ATOM 0 HB2 PHE A 20 8.877 0.540 -3.355 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.804 1.393 -2.264 1.00 0.62 H new ATOM 0 HD1 PHE A 20 8.245 4.159 -2.586 1.00 1.08 H new ATOM 0 HD2 PHE A 20 8.522 1.108 -5.555 1.00 0.96 H new ATOM 0 HE1 PHE A 20 7.776 5.822 -4.338 1.00 1.26 H new ATOM 0 HE2 PHE A 20 8.056 2.774 -7.310 1.00 1.17 H new ATOM 0 HZ PHE A 20 7.713 5.148 -6.693 1.00 1.19 H new ATOM 262 N HIS A 21 9.489 0.655 0.050 1.00 0.53 N ATOM 263 CA HIS A 21 9.108 0.488 1.452 1.00 0.57 C ATOM 264 C HIS A 21 9.735 1.565 2.332 1.00 0.69 C ATOM 265 O HIS A 21 9.029 2.375 2.933 1.00 1.03 O ATOM 266 CB HIS A 21 9.533 -0.892 1.942 1.00 0.54 C ATOM 267 CG HIS A 21 8.705 -1.994 1.364 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.390 -3.138 2.048 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.110 -2.137 0.151 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.651 -3.937 1.314 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.459 -3.356 0.142 1.00 0.42 N ATOM 0 H HIS A 21 9.764 -0.209 -0.417 1.00 0.53 H new ATOM 0 HA HIS A 21 8.024 0.585 1.521 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.579 -1.057 1.685 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.463 -0.924 3.029 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.690 -3.342 3.001 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.140 -1.425 -0.661 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.267 -4.901 1.615 1.00 0.45 H new ATOM 279 N ARG A 22 11.061 1.568 2.407 1.00 0.68 N ATOM 280 CA ARG A 22 11.778 2.544 3.220 1.00 0.80 C ATOM 281 C ARG A 22 11.524 3.962 2.718 1.00 0.81 C ATOM 282 O ARG A 22 11.669 4.928 3.468 1.00 0.92 O ATOM 283 CB ARG A 22 13.274 2.247 3.194 1.00 0.93 C ATOM 284 CG ARG A 22 13.837 2.321 1.777 1.00 1.64 C ATOM 285 CD ARG A 22 15.309 1.923 1.736 1.00 2.14 C ATOM 286 NE ARG A 22 15.471 0.530 2.139 1.00 2.73 N ATOM 287 CZ ARG A 22 16.667 -0.045 2.201 1.00 3.33 C ATOM 288 NH1 ARG A 22 17.697 0.616 2.713 1.00 3.95 N ATOM 289 NH2 ARG A 22 16.837 -1.282 1.753 1.00 3.72 N ATOM 0 H ARG A 22 11.661 0.906 1.915 1.00 0.68 H new ATOM 0 HA ARG A 22 11.412 2.470 4.244 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.798 2.959 3.832 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.456 1.255 3.607 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.264 1.665 1.122 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.723 3.334 1.392 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.703 2.065 0.730 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.886 2.569 2.398 1.00 2.14 H new ATOM 0 HE ARG A 22 14.644 -0.017 2.379 1.00 2.73 H new ATOM 0 HH11 ARG A 22 17.571 1.567 3.060 1.00 3.95 H new ATOM 0 HH12 ARG A 22 18.615 0.173 2.760 1.00 3.95 H new ATOM 0 HH21 ARG A 22 16.048 -1.795 1.359 1.00 3.72 H new ATOM 0 HH22 ARG A 22 17.757 -1.720 1.802 1.00 3.72 H new ATOM 303 N HIS A 23 11.147 4.085 1.449 1.00 0.90 N ATOM 304 CA HIS A 23 10.877 5.389 0.854 1.00 0.98 C ATOM 305 C HIS A 23 9.503 5.898 1.273 1.00 0.96 C ATOM 306 O HIS A 23 9.365 7.027 1.746 1.00 1.12 O ATOM 307 CB HIS A 23 10.951 5.290 -0.668 1.00 1.02 C ATOM 308 CG HIS A 23 12.350 5.374 -1.192 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.650 5.556 -2.517 1.00 1.83 N ATOM 310 CD2 HIS A 23 13.553 5.304 -0.567 1.00 1.56 C ATOM 311 CE1 HIS A 23 13.948 5.594 -2.704 1.00 2.07 C ATOM 312 NE2 HIS A 23 14.537 5.443 -1.528 1.00 1.86 N ATOM 0 H HIS A 23 11.022 3.297 0.813 1.00 0.90 H new ATOM 0 HA HIS A 23 11.630 6.093 1.208 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.505 4.348 -0.987 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.355 6.090 -1.108 1.00 1.02 H new ATOM 0 HD2 HIS A 23 13.713 5.165 0.492 1.00 1.56 H new ATOM 0 HE1 HIS A 23 14.449 5.726 -3.652 1.00 2.07 H new ATOM 0 HE2 HIS A 23 15.543 5.431 -1.360 1.00 1.86 H new ATOM 320 N LEU A 24 8.490 5.059 1.093 1.00 0.86 N ATOM 321 CA LEU A 24 7.120 5.415 1.444 1.00 0.87 C ATOM 322 C LEU A 24 7.041 5.923 2.879 1.00 0.97 C ATOM 323 O LEU A 24 6.433 6.959 3.145 1.00 1.16 O ATOM 324 CB LEU A 24 6.210 4.203 1.274 1.00 0.73 C ATOM 325 CG LEU A 24 5.599 4.154 -0.123 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.257 3.063 -0.963 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.090 3.936 -0.044 1.00 1.25 C ATOM 0 H LEU A 24 8.592 4.122 0.704 1.00 0.86 H new ATOM 0 HA LEU A 24 6.791 6.213 0.778 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.779 3.291 1.456 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.415 4.236 2.019 1.00 0.73 H new ATOM 0 HG LEU A 24 5.781 5.113 -0.608 1.00 0.76 H new ATOM 0 HD11 LEU A 24 5.806 3.046 -1.955 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.324 3.267 -1.053 1.00 0.72 H new ATOM 0 HD13 LEU A 24 6.112 2.096 -0.482 1.00 0.72 H new ATOM 0 HD21 LEU A 24 3.674 3.904 -1.051 1.00 1.25 H new ATOM 0 HD22 LEU A 24 3.885 2.993 0.464 1.00 1.25 H new ATOM 0 HD23 LEU A 24 3.633 4.755 0.512 1.00 1.25 H new ATOM 339 N ILE A 25 7.652 5.187 3.802 1.00 0.92 N ATOM 340 CA ILE A 25 7.639 5.572 5.209 1.00 1.10 C ATOM 341 C ILE A 25 8.558 6.763 5.451 1.00 1.41 C ATOM 342 O ILE A 25 8.374 7.517 6.407 1.00 1.91 O ATOM 343 CB ILE A 25 8.067 4.394 6.079 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.506 3.985 5.770 1.00 0.90 C ATOM 345 CG2 ILE A 25 7.124 3.211 5.892 1.00 1.06 C ATOM 346 CD1 ILE A 25 10.164 3.308 6.969 1.00 0.91 C ATOM 0 H ILE A 25 8.160 4.325 3.603 1.00 0.92 H new ATOM 0 HA ILE A 25 6.623 5.862 5.477 1.00 1.10 H new ATOM 0 HB ILE A 25 8.017 4.710 7.121 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.518 3.307 4.916 1.00 0.90 H new ATOM 0 HG13 ILE A 25 10.083 4.865 5.486 1.00 0.90 H new ATOM 0 HG21 ILE A 25 7.449 2.383 6.522 1.00 1.06 H new ATOM 0 HG22 ILE A 25 6.112 3.504 6.172 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.135 2.898 4.848 1.00 1.06 H new ATOM 0 HD11 ILE A 25 11.187 3.030 6.714 1.00 0.91 H new ATOM 0 HD12 ILE A 25 10.175 3.996 7.815 1.00 0.91 H new ATOM 0 HD13 ILE A 25 9.601 2.414 7.236 1.00 0.91 H new ATOM 358 N GLY A 26 9.549 6.930 4.580 1.00 1.49 N ATOM 359 CA GLY A 26 10.496 8.032 4.699 1.00 1.87 C ATOM 360 C GLY A 26 11.401 7.848 5.910 1.00 1.82 C ATOM 361 O GLY A 26 12.038 6.805 6.069 1.00 2.29 O ATOM 0 H GLY A 26 9.716 6.315 3.784 1.00 1.49 H new ATOM 0 HA2 GLY A 26 11.101 8.095 3.795 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.954 8.974 4.786 1.00 1.87 H new ATOM 365 N LYS A 27 11.456 8.866 6.762 1.00 1.86 N ATOM 366 CA LYS A 27 12.284 8.818 7.962 1.00 1.91 C ATOM 367 C LYS A 27 11.737 7.799 8.952 1.00 1.62 C ATOM 368 O LYS A 27 12.480 6.973 9.482 1.00 2.38 O ATOM 369 CB LYS A 27 12.339 10.197 8.612 1.00 2.21 C ATOM 370 CG LYS A 27 12.723 11.279 7.605 1.00 2.65 C ATOM 371 CD LYS A 27 12.952 12.626 8.284 1.00 3.30 C ATOM 372 CE LYS A 27 11.757 13.034 9.140 1.00 3.80 C ATOM 373 NZ LYS A 27 10.484 12.943 8.371 1.00 4.51 N ATOM 0 H LYS A 27 10.936 9.736 6.644 1.00 1.86 H new ATOM 0 HA LYS A 27 13.291 8.516 7.675 1.00 1.91 H new ATOM 0 HB2 LYS A 27 11.368 10.433 9.048 1.00 2.21 H new ATOM 0 HB3 LYS A 27 13.061 10.186 9.428 1.00 2.21 H new ATOM 0 HG2 LYS A 27 13.628 10.979 7.076 1.00 2.65 H new ATOM 0 HG3 LYS A 27 11.935 11.377 6.858 1.00 2.65 H new ATOM 0 HD2 LYS A 27 13.845 12.573 8.907 1.00 3.30 H new ATOM 0 HD3 LYS A 27 13.136 13.389 7.527 1.00 3.30 H new ATOM 0 HE2 LYS A 27 11.700 12.392 10.019 1.00 3.80 H new ATOM 0 HE3 LYS A 27 11.895 14.054 9.499 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 9.836 13.694 8.682 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 10.683 13.055 7.356 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 10.044 12.016 8.537 1.00 4.51 H new ATOM 387 N SER A 28 10.433 7.860 9.199 1.00 1.28 N ATOM 388 CA SER A 28 9.786 6.941 10.128 1.00 1.60 C ATOM 389 C SER A 28 8.682 6.160 9.425 1.00 1.60 C ATOM 390 O SER A 28 8.826 4.967 9.160 1.00 2.28 O ATOM 391 CB SER A 28 9.204 7.714 11.307 1.00 1.99 C ATOM 392 OG SER A 28 10.191 7.900 12.311 1.00 2.57 O ATOM 0 H SER A 28 9.803 8.537 8.768 1.00 1.28 H new ATOM 0 HA SER A 28 10.533 6.237 10.495 1.00 1.60 H new ATOM 0 HB2 SER A 28 8.833 8.682 10.969 1.00 1.99 H new ATOM 0 HB3 SER A 28 8.353 7.173 11.720 1.00 1.99 H new ATOM 0 HG SER A 28 9.805 8.399 13.061 1.00 2.57 H new ATOM 398 N GLY A 29 7.581 6.841 9.126 1.00 1.21 N ATOM 399 CA GLY A 29 6.450 6.214 8.452 1.00 1.23 C ATOM 400 C GLY A 29 5.189 7.054 8.609 1.00 1.36 C ATOM 401 O GLY A 29 4.462 6.922 9.593 1.00 2.05 O ATOM 0 H GLY A 29 7.448 7.829 9.340 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.677 6.087 7.394 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.282 5.219 8.864 1.00 1.23 H new ATOM 405 N ALA A 30 4.938 7.925 7.635 1.00 1.00 N ATOM 406 CA ALA A 30 3.767 8.794 7.667 1.00 1.10 C ATOM 407 C ALA A 30 2.941 8.641 6.393 1.00 1.06 C ATOM 408 O ALA A 30 1.711 8.627 6.440 1.00 1.43 O ATOM 409 CB ALA A 30 4.204 10.247 7.827 1.00 1.27 C ATOM 0 H ALA A 30 5.531 8.047 6.814 1.00 1.00 H new ATOM 0 HA ALA A 30 3.148 8.505 8.516 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.325 10.891 7.850 1.00 1.27 H new ATOM 0 HB2 ALA A 30 4.761 10.359 8.757 1.00 1.27 H new ATOM 0 HB3 ALA A 30 4.839 10.530 6.988 1.00 1.27 H new ATOM 415 N ASN A 31 3.623 8.533 5.257 1.00 0.73 N ATOM 416 CA ASN A 31 2.957 8.387 3.965 1.00 0.69 C ATOM 417 C ASN A 31 1.862 7.328 4.030 1.00 0.60 C ATOM 418 O ASN A 31 0.743 7.544 3.557 1.00 0.58 O ATOM 419 CB ASN A 31 3.977 8.008 2.897 1.00 0.71 C ATOM 420 CG ASN A 31 3.470 8.400 1.516 1.00 1.24 C ATOM 421 OD1 ASN A 31 2.380 8.954 1.376 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.264 8.112 0.492 1.00 1.42 N ATOM 0 H ASN A 31 4.642 8.544 5.204 1.00 0.73 H new ATOM 0 HA ASN A 31 2.497 9.341 3.709 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.926 8.506 3.098 1.00 0.71 H new ATOM 0 HB3 ASN A 31 4.167 6.935 2.931 1.00 0.71 H new ATOM 0 HD21 ASN A 31 3.978 8.351 -0.458 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.160 7.652 0.655 1.00 1.42 H new ATOM 429 N ILE A 32 2.189 6.180 4.617 1.00 0.58 N ATOM 430 CA ILE A 32 1.235 5.084 4.746 1.00 0.56 C ATOM 431 C ILE A 32 -0.086 5.587 5.315 1.00 0.52 C ATOM 432 O ILE A 32 -1.159 5.152 4.898 1.00 0.51 O ATOM 433 CB ILE A 32 1.807 3.995 5.647 1.00 0.63 C ATOM 434 CG1 ILE A 32 2.201 4.575 7.002 1.00 0.70 C ATOM 435 CG2 ILE A 32 3.002 3.316 4.985 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.842 3.520 7.897 1.00 1.07 C ATOM 0 H ILE A 32 3.109 5.985 5.011 1.00 0.58 H new ATOM 0 HA ILE A 32 1.052 4.669 3.755 1.00 0.56 H new ATOM 0 HB ILE A 32 1.035 3.242 5.805 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.897 5.402 6.857 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.319 4.984 7.494 1.00 0.70 H new ATOM 0 HG21 ILE A 32 3.393 2.543 5.646 1.00 0.69 H new ATOM 0 HG22 ILE A 32 2.688 2.864 4.044 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.779 4.055 4.791 1.00 0.69 H new ATOM 0 HD11 ILE A 32 3.110 3.968 8.854 1.00 1.07 H new ATOM 0 HD12 ILE A 32 2.136 2.706 8.063 1.00 1.07 H new ATOM 0 HD13 ILE A 32 3.739 3.130 7.415 1.00 1.07 H new ATOM 448 N ASN A 33 0.002 6.512 6.266 1.00 0.56 N ATOM 449 CA ASN A 33 -1.183 7.083 6.891 1.00 0.59 C ATOM 450 C ASN A 33 -1.877 8.041 5.931 1.00 0.54 C ATOM 451 O ASN A 33 -3.097 8.200 5.969 1.00 0.55 O ATOM 452 CB ASN A 33 -0.796 7.820 8.169 1.00 0.71 C ATOM 453 CG ASN A 33 -1.394 7.124 9.383 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.183 7.711 10.123 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.020 5.867 9.589 1.00 1.62 N ATOM 0 H ASN A 33 0.884 6.882 6.620 1.00 0.56 H new ATOM 0 HA ASN A 33 -1.870 6.274 7.140 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.289 7.857 8.261 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -1.147 8.851 8.123 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -1.389 5.349 10.386 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -0.363 5.419 8.950 1.00 1.62 H new ATOM 462 N ARG A 34 -1.089 8.673 5.066 1.00 0.55 N ATOM 463 CA ARG A 34 -1.619 9.615 4.089 1.00 0.56 C ATOM 464 C ARG A 34 -2.674 8.945 3.220 1.00 0.48 C ATOM 465 O ARG A 34 -3.757 9.489 3.010 1.00 0.48 O ATOM 466 CB ARG A 34 -0.489 10.146 3.212 1.00 0.65 C ATOM 467 CG ARG A 34 -0.891 11.436 2.499 1.00 0.89 C ATOM 468 CD ARG A 34 0.057 12.584 2.839 1.00 1.22 C ATOM 469 NE ARG A 34 0.515 13.244 1.623 1.00 1.69 N ATOM 470 CZ ARG A 34 1.766 13.668 1.486 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.377 14.273 2.495 1.00 2.90 N ATOM 472 NH2 ARG A 34 2.409 13.487 0.341 1.00 2.78 N ATOM 0 H ARG A 34 -0.078 8.548 5.023 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.081 10.445 4.623 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.394 10.328 3.825 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.215 9.392 2.474 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.893 11.272 1.421 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.908 11.707 2.782 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -0.450 13.304 3.482 1.00 1.22 H new ATOM 0 HD3 ARG A 34 0.912 12.204 3.398 1.00 1.22 H new ATOM 0 HE ARG A 34 -0.143 13.384 0.856 1.00 1.69 H new ATOM 0 HH11 ARG A 34 1.886 14.413 3.378 1.00 2.90 H new ATOM 0 HH12 ARG A 34 3.338 14.598 2.388 1.00 2.90 H new ATOM 0 HH21 ARG A 34 1.943 13.021 -0.438 1.00 2.78 H new ATOM 0 HH22 ARG A 34 3.370 13.814 0.238 1.00 2.78 H new ATOM 486 N ILE A 35 -2.352 7.757 2.717 1.00 0.45 N ATOM 487 CA ILE A 35 -3.276 7.009 1.869 1.00 0.40 C ATOM 488 C ILE A 35 -4.428 6.457 2.702 1.00 0.34 C ATOM 489 O ILE A 35 -5.597 6.698 2.401 1.00 0.34 O ATOM 490 CB ILE A 35 -2.539 5.866 1.170 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.423 6.411 0.280 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.503 5.013 0.348 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.124 6.602 1.058 1.00 1.29 C ATOM 0 H ILE A 35 -1.459 7.292 2.881 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.681 7.682 1.114 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.095 5.234 1.939 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.253 5.726 -0.551 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.733 7.363 -0.151 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.952 4.208 -0.138 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.263 4.588 1.004 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.983 5.633 -0.409 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.646 6.991 0.391 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.288 7.307 1.873 1.00 1.29 H new ATOM 0 HD13 ILE A 35 0.200 5.645 1.466 1.00 1.29 H new ATOM 505 N LYS A 36 -4.085 5.716 3.753 1.00 0.35 N ATOM 506 CA LYS A 36 -5.076 5.119 4.650 1.00 0.36 C ATOM 507 C LYS A 36 -6.225 6.087 4.931 1.00 0.39 C ATOM 508 O LYS A 36 -7.365 5.668 5.133 1.00 0.51 O ATOM 509 CB LYS A 36 -4.400 4.720 5.962 1.00 0.44 C ATOM 510 CG LYS A 36 -5.404 4.201 6.991 1.00 1.09 C ATOM 511 CD LYS A 36 -5.289 4.948 8.316 1.00 1.41 C ATOM 512 CE LYS A 36 -6.660 5.289 8.889 1.00 2.17 C ATOM 513 NZ LYS A 36 -6.812 6.756 9.092 1.00 2.76 N ATOM 0 H LYS A 36 -3.118 5.512 4.007 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.492 4.236 4.164 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.653 3.951 5.765 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -3.872 5.580 6.373 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.415 4.308 6.599 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.238 3.137 7.157 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.737 4.339 9.031 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -4.717 5.864 8.169 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -7.438 4.931 8.215 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -6.798 4.772 9.839 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -7.755 6.957 9.483 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -6.084 7.092 9.754 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -6.704 7.246 8.181 1.00 2.76 H new ATOM 527 N ASP A 37 -5.918 7.379 4.941 1.00 0.40 N ATOM 528 CA ASP A 37 -6.926 8.401 5.198 1.00 0.45 C ATOM 529 C ASP A 37 -7.403 9.027 3.893 1.00 0.44 C ATOM 530 O ASP A 37 -8.604 9.155 3.657 1.00 0.60 O ATOM 531 CB ASP A 37 -6.353 9.481 6.110 1.00 0.51 C ATOM 532 CG ASP A 37 -7.459 10.418 6.579 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.125 11.030 5.718 1.00 1.37 O ATOM 534 OD2 ASP A 37 -7.658 10.537 7.807 1.00 1.56 O ATOM 0 H ASP A 37 -4.980 7.744 4.774 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.777 7.929 5.689 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.868 9.020 6.971 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.588 10.047 5.579 1.00 0.51 H new ATOM 539 N GLN A 38 -6.453 9.417 3.048 1.00 0.41 N ATOM 540 CA GLN A 38 -6.774 10.034 1.766 1.00 0.46 C ATOM 541 C GLN A 38 -7.716 9.147 0.963 1.00 0.42 C ATOM 542 O GLN A 38 -8.551 9.641 0.206 1.00 0.68 O ATOM 543 CB GLN A 38 -5.494 10.284 0.973 1.00 0.54 C ATOM 544 CG GLN A 38 -5.781 10.992 -0.349 1.00 0.65 C ATOM 545 CD GLN A 38 -6.275 12.411 -0.092 1.00 1.05 C ATOM 546 OE1 GLN A 38 -5.479 13.336 0.069 1.00 1.65 O ATOM 547 NE2 GLN A 38 -7.591 12.581 -0.053 1.00 1.66 N ATOM 0 H GLN A 38 -5.454 9.316 3.229 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.271 10.985 1.956 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -4.809 10.887 1.568 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -4.995 9.335 0.777 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -4.878 11.019 -0.959 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.530 10.435 -0.913 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -8.212 11.784 -0.192 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -7.981 13.508 0.116 1.00 1.66 H new ATOM 556 N TYR A 39 -7.577 7.835 1.129 1.00 0.34 N ATOM 557 CA TYR A 39 -8.419 6.882 0.415 1.00 0.34 C ATOM 558 C TYR A 39 -9.210 6.001 1.382 1.00 0.30 C ATOM 559 O TYR A 39 -9.859 5.044 0.961 1.00 0.32 O ATOM 560 CB TYR A 39 -7.558 6.004 -0.491 1.00 0.39 C ATOM 561 CG TYR A 39 -6.731 6.794 -1.475 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.667 7.559 -1.031 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.029 6.754 -2.825 1.00 0.64 C ATOM 564 CE1 TYR A 39 -4.906 8.282 -1.933 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.269 7.477 -3.727 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.211 8.237 -3.277 1.00 0.66 C ATOM 567 OH TYR A 39 -4.454 8.956 -4.174 1.00 0.77 O ATOM 0 H TYR A 39 -6.890 7.408 1.751 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.129 7.449 -0.187 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.895 5.397 0.126 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.203 5.316 -1.038 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.430 7.592 0.022 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -7.857 6.157 -3.176 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.076 8.879 -1.585 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.504 7.446 -4.781 1.00 0.73 H new ATOM 0 HH TYR A 39 -4.799 8.815 -5.080 1.00 0.77 H new ATOM 577 N LYS A 40 -9.163 6.319 2.677 1.00 0.28 N ATOM 578 CA LYS A 40 -9.883 5.541 3.683 1.00 0.31 C ATOM 579 C LYS A 40 -9.591 4.055 3.510 1.00 0.29 C ATOM 580 O LYS A 40 -10.499 3.223 3.513 1.00 0.39 O ATOM 581 CB LYS A 40 -11.384 5.800 3.564 1.00 0.38 C ATOM 582 CG LYS A 40 -11.866 6.785 4.625 1.00 0.86 C ATOM 583 CD LYS A 40 -12.495 8.025 3.997 1.00 1.29 C ATOM 584 CE LYS A 40 -13.794 7.689 3.270 1.00 1.88 C ATOM 585 NZ LYS A 40 -13.832 8.305 1.914 1.00 2.56 N ATOM 0 H LYS A 40 -8.635 7.107 3.052 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.547 5.848 4.673 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.609 6.192 2.572 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.926 4.860 3.666 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -12.594 6.296 5.273 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.027 7.081 5.255 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -12.692 8.766 4.772 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -11.792 8.476 3.297 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -13.895 6.607 3.183 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.643 8.042 3.856 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.727 8.058 1.446 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -13.760 9.339 2.000 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -13.035 7.948 1.348 1.00 2.56 H new ATOM 599 N VAL A 41 -8.314 3.731 3.347 1.00 0.23 N ATOM 600 CA VAL A 41 -7.887 2.350 3.157 1.00 0.23 C ATOM 601 C VAL A 41 -6.881 1.946 4.228 1.00 0.27 C ATOM 602 O VAL A 41 -6.644 2.690 5.177 1.00 0.33 O ATOM 603 CB VAL A 41 -7.271 2.200 1.770 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.354 2.239 0.699 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.234 3.292 1.521 1.00 0.23 C ATOM 0 H VAL A 41 -7.553 4.410 3.343 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.753 1.694 3.243 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.770 1.233 1.720 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.897 2.131 -0.285 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.058 1.424 0.864 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.883 3.191 0.751 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.806 3.167 0.526 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.711 4.270 1.591 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.443 3.220 2.268 1.00 0.23 H new ATOM 615 N SER A 42 -6.294 0.763 4.074 1.00 0.29 N ATOM 616 CA SER A 42 -5.316 0.263 5.032 1.00 0.34 C ATOM 617 C SER A 42 -4.069 -0.234 4.310 1.00 0.30 C ATOM 618 O SER A 42 -3.977 -1.406 3.945 1.00 0.36 O ATOM 619 CB SER A 42 -5.923 -0.867 5.854 1.00 0.43 C ATOM 620 OG SER A 42 -5.492 -0.783 7.206 1.00 0.93 O ATOM 0 H SER A 42 -6.479 0.133 3.294 1.00 0.29 H new ATOM 0 HA SER A 42 -5.033 1.079 5.698 1.00 0.34 H new ATOM 0 HB2 SER A 42 -7.011 -0.815 5.808 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.632 -1.829 5.432 1.00 0.43 H new ATOM 0 HG SER A 42 -5.891 -1.514 7.723 1.00 0.93 H new ATOM 626 N VAL A 43 -3.111 0.665 4.107 1.00 0.33 N ATOM 627 CA VAL A 43 -1.866 0.321 3.430 1.00 0.34 C ATOM 628 C VAL A 43 -0.820 -0.122 4.445 1.00 0.35 C ATOM 629 O VAL A 43 -0.747 0.418 5.548 1.00 0.55 O ATOM 630 CB VAL A 43 -1.354 1.522 2.640 1.00 0.49 C ATOM 631 CG1 VAL A 43 -1.041 2.690 3.570 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.126 1.143 1.818 1.00 0.54 C ATOM 0 H VAL A 43 -3.174 1.639 4.403 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.055 -0.502 2.741 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.140 1.837 1.954 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -0.678 3.534 2.984 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -1.945 2.982 4.105 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.276 2.390 4.286 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.223 2.014 1.263 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.665 0.797 2.484 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.387 0.348 1.120 1.00 0.54 H new ATOM 642 N ARG A 44 -0.016 -1.114 4.073 1.00 0.31 N ATOM 643 CA ARG A 44 1.017 -1.628 4.964 1.00 0.42 C ATOM 644 C ARG A 44 2.301 -1.931 4.200 1.00 0.40 C ATOM 645 O ARG A 44 2.275 -2.568 3.147 1.00 0.41 O ATOM 646 CB ARG A 44 0.526 -2.897 5.656 1.00 0.52 C ATOM 647 CG ARG A 44 -0.915 -2.758 6.142 1.00 0.78 C ATOM 648 CD ARG A 44 -0.997 -1.950 7.433 1.00 1.05 C ATOM 649 NE ARG A 44 -1.911 -2.589 8.374 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.578 -2.790 9.645 1.00 1.74 C ATOM 651 NH1 ARG A 44 -0.870 -3.857 9.985 1.00 2.28 N ATOM 652 NH2 ARG A 44 -1.953 -1.924 10.576 1.00 2.27 N ATOM 0 H ARG A 44 -0.060 -1.576 3.165 1.00 0.31 H new ATOM 0 HA ARG A 44 1.230 -0.862 5.709 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.597 -3.738 4.966 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.175 -3.123 6.502 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.515 -2.274 5.371 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.342 -3.748 6.304 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -0.006 -1.864 7.879 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.338 -0.938 7.215 1.00 1.05 H new ATOM 0 HE ARG A 44 -2.830 -2.889 8.048 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -0.580 -4.525 9.271 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -0.615 -4.010 10.961 1.00 2.28 H new ATOM 0 HH21 ARG A 44 -2.498 -1.102 10.318 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -1.696 -2.080 11.551 1.00 2.27 H new ATOM 666 N ILE A 45 3.426 -1.482 4.749 1.00 0.46 N ATOM 667 CA ILE A 45 4.731 -1.713 4.139 1.00 0.47 C ATOM 668 C ILE A 45 5.451 -2.839 4.887 1.00 0.53 C ATOM 669 O ILE A 45 6.051 -2.611 5.938 1.00 0.64 O ATOM 670 CB ILE A 45 5.549 -0.408 4.162 1.00 0.56 C ATOM 671 CG1 ILE A 45 5.073 0.530 3.050 1.00 0.59 C ATOM 672 CG2 ILE A 45 7.056 -0.659 4.033 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.534 0.062 1.668 1.00 0.56 C ATOM 0 H ILE A 45 3.459 -0.953 5.620 1.00 0.46 H new ATOM 0 HA ILE A 45 4.611 -2.018 3.099 1.00 0.47 H new ATOM 0 HB ILE A 45 5.383 0.060 5.132 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.985 0.590 3.068 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.451 1.535 3.237 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.587 0.293 4.055 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.393 -1.281 4.862 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.261 -1.167 3.091 1.00 0.60 H new ATOM 0 HD11 ILE A 45 5.174 0.757 0.910 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.623 0.027 1.640 1.00 0.56 H new ATOM 0 HD13 ILE A 45 5.134 -0.932 1.468 1.00 0.56 H new ATOM 685 N PRO A 46 5.394 -4.072 4.354 1.00 0.48 N ATOM 686 CA PRO A 46 6.040 -5.232 4.984 1.00 0.58 C ATOM 687 C PRO A 46 7.563 -5.198 4.835 1.00 0.61 C ATOM 688 O PRO A 46 8.088 -5.333 3.731 1.00 0.56 O ATOM 689 CB PRO A 46 5.434 -6.424 4.247 1.00 0.57 C ATOM 690 CG PRO A 46 5.003 -5.893 2.920 1.00 0.47 C ATOM 691 CD PRO A 46 4.697 -4.431 3.106 1.00 0.41 C ATOM 0 HA PRO A 46 5.871 -5.265 6.060 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.163 -7.226 4.131 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.589 -6.838 4.798 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.788 -6.031 2.177 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.125 -6.427 2.558 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.056 -3.839 2.265 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.624 -4.255 3.184 1.00 0.41 H new ATOM 699 N PRO A 47 8.293 -5.016 5.953 1.00 0.74 N ATOM 700 CA PRO A 47 9.756 -4.966 5.938 1.00 0.81 C ATOM 701 C PRO A 47 10.379 -6.359 5.960 1.00 0.87 C ATOM 702 O PRO A 47 11.029 -6.773 5.000 1.00 1.53 O ATOM 703 CB PRO A 47 10.094 -4.186 7.204 1.00 0.98 C ATOM 704 CG PRO A 47 8.934 -4.386 8.130 1.00 1.03 C ATOM 705 CD PRO A 47 7.755 -4.845 7.310 1.00 0.85 C ATOM 0 HA PRO A 47 10.148 -4.504 5.032 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.019 -4.550 7.652 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.241 -3.129 6.984 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.179 -5.126 8.892 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.698 -3.458 8.650 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.344 -5.779 7.694 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.950 -4.111 7.328 1.00 0.85 H new ATOM 713 N ASP A 48 10.178 -7.076 7.062 1.00 1.32 N ATOM 714 CA ASP A 48 10.721 -8.422 7.209 1.00 1.46 C ATOM 715 C ASP A 48 10.049 -9.376 6.230 1.00 1.48 C ATOM 716 O ASP A 48 9.252 -10.228 6.625 1.00 2.18 O ATOM 717 CB ASP A 48 10.511 -8.917 8.637 1.00 2.16 C ATOM 718 CG ASP A 48 9.107 -9.485 8.801 1.00 2.56 C ATOM 719 OD1 ASP A 48 8.133 -8.717 8.651 1.00 3.01 O ATOM 720 OD2 ASP A 48 8.984 -10.697 9.079 1.00 3.03 O ATOM 0 H ASP A 48 9.643 -6.747 7.866 1.00 1.32 H new ATOM 0 HA ASP A 48 11.789 -8.390 6.993 1.00 1.46 H new ATOM 0 HB2 ASP A 48 11.250 -9.682 8.876 1.00 2.16 H new ATOM 0 HB3 ASP A 48 10.663 -8.097 9.339 1.00 2.16 H new ATOM 725 N SER A 49 10.375 -9.228 4.949 1.00 1.59 N ATOM 726 CA SER A 49 9.801 -10.076 3.911 1.00 2.11 C ATOM 727 C SER A 49 10.896 -10.654 3.023 1.00 1.90 C ATOM 728 O SER A 49 12.068 -10.301 3.156 1.00 2.33 O ATOM 729 CB SER A 49 8.820 -9.272 3.063 1.00 3.03 C ATOM 730 OG SER A 49 8.666 -7.961 3.585 1.00 3.81 O ATOM 0 H SER A 49 11.034 -8.529 4.606 1.00 1.59 H new ATOM 0 HA SER A 49 9.272 -10.898 4.392 1.00 2.11 H new ATOM 0 HB2 SER A 49 9.178 -9.220 2.035 1.00 3.03 H new ATOM 0 HB3 SER A 49 7.854 -9.776 3.039 1.00 3.03 H new ATOM 0 HG SER A 49 8.334 -7.366 2.881 1.00 3.81 H new ATOM 736 N GLU A 50 10.507 -11.546 2.117 1.00 1.92 N ATOM 737 CA GLU A 50 11.453 -12.175 1.204 1.00 2.27 C ATOM 738 C GLU A 50 12.270 -11.121 0.469 1.00 2.09 C ATOM 739 O GLU A 50 12.109 -9.923 0.703 1.00 2.74 O ATOM 740 CB GLU A 50 10.707 -13.047 0.198 1.00 3.06 C ATOM 741 CG GLU A 50 9.736 -12.226 -0.647 1.00 3.83 C ATOM 742 CD GLU A 50 8.680 -13.130 -1.269 1.00 4.43 C ATOM 743 OE1 GLU A 50 8.911 -14.355 -1.336 1.00 4.75 O ATOM 744 OE2 GLU A 50 7.624 -12.612 -1.687 1.00 4.97 O ATOM 0 H GLU A 50 9.541 -11.849 1.996 1.00 1.92 H new ATOM 0 HA GLU A 50 12.132 -12.799 1.786 1.00 2.27 H new ATOM 0 HB2 GLU A 50 11.424 -13.547 -0.453 1.00 3.06 H new ATOM 0 HB3 GLU A 50 10.160 -13.827 0.727 1.00 3.06 H new ATOM 0 HG2 GLU A 50 9.256 -11.468 -0.028 1.00 3.83 H new ATOM 0 HG3 GLU A 50 10.281 -11.700 -1.431 1.00 3.83 H new ATOM 751 N LYS A 51 13.146 -11.574 -0.421 1.00 1.76 N ATOM 752 CA LYS A 51 13.989 -10.670 -1.195 1.00 1.77 C ATOM 753 C LYS A 51 13.136 -9.633 -1.913 1.00 1.55 C ATOM 754 O LYS A 51 13.346 -8.429 -1.762 1.00 2.20 O ATOM 755 CB LYS A 51 14.807 -11.461 -2.210 1.00 2.14 C ATOM 756 CG LYS A 51 15.914 -12.264 -1.531 1.00 2.60 C ATOM 757 CD LYS A 51 17.146 -12.384 -2.421 1.00 3.36 C ATOM 758 CE LYS A 51 18.431 -12.414 -1.599 1.00 4.12 C ATOM 759 NZ LYS A 51 19.633 -12.503 -2.473 1.00 4.81 N ATOM 0 H LYS A 51 13.291 -12.563 -0.625 1.00 1.76 H new ATOM 0 HA LYS A 51 14.666 -10.155 -0.513 1.00 1.77 H new ATOM 0 HB2 LYS A 51 14.152 -12.136 -2.761 1.00 2.14 H new ATOM 0 HB3 LYS A 51 15.245 -10.778 -2.938 1.00 2.14 H new ATOM 0 HG2 LYS A 51 16.188 -11.784 -0.591 1.00 2.60 H new ATOM 0 HG3 LYS A 51 15.544 -13.259 -1.285 1.00 2.60 H new ATOM 0 HD2 LYS A 51 17.076 -13.292 -3.021 1.00 3.36 H new ATOM 0 HD3 LYS A 51 17.177 -11.545 -3.116 1.00 3.36 H new ATOM 0 HE2 LYS A 51 18.492 -11.516 -0.984 1.00 4.12 H new ATOM 0 HE3 LYS A 51 18.410 -13.266 -0.919 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 20.490 -12.521 -1.884 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 19.585 -13.372 -3.042 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 19.665 -11.677 -3.105 1.00 4.81 H new ATOM 773 N SER A 52 12.171 -10.108 -2.693 1.00 1.19 N ATOM 774 CA SER A 52 11.279 -9.223 -3.434 1.00 1.04 C ATOM 775 C SER A 52 10.297 -8.547 -2.487 1.00 0.92 C ATOM 776 O SER A 52 9.846 -9.150 -1.513 1.00 1.19 O ATOM 777 CB SER A 52 10.519 -10.016 -4.493 1.00 1.25 C ATOM 778 OG SER A 52 9.315 -9.353 -4.842 1.00 2.03 O ATOM 0 H SER A 52 11.986 -11.102 -2.829 1.00 1.19 H new ATOM 0 HA SER A 52 11.877 -8.455 -3.924 1.00 1.04 H new ATOM 0 HB2 SER A 52 11.142 -10.141 -5.379 1.00 1.25 H new ATOM 0 HB3 SER A 52 10.295 -11.014 -4.117 1.00 1.25 H new ATOM 0 HG SER A 52 9.525 -8.485 -5.245 1.00 2.03 H new ATOM 784 N ASN A 53 9.971 -7.293 -2.775 1.00 0.68 N ATOM 785 CA ASN A 53 9.044 -6.534 -1.948 1.00 0.61 C ATOM 786 C ASN A 53 7.620 -6.691 -2.459 1.00 0.59 C ATOM 787 O ASN A 53 7.389 -6.822 -3.662 1.00 0.99 O ATOM 788 CB ASN A 53 9.435 -5.059 -1.943 1.00 0.60 C ATOM 789 CG ASN A 53 10.097 -4.692 -0.622 1.00 0.89 C ATOM 790 OD1 ASN A 53 9.852 -5.328 0.404 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.938 -3.665 -0.645 1.00 1.28 N ATOM 0 H ASN A 53 10.336 -6.780 -3.577 1.00 0.68 H new ATOM 0 HA ASN A 53 9.093 -6.921 -0.930 1.00 0.61 H new ATOM 0 HB2 ASN A 53 10.117 -4.854 -2.768 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.551 -4.441 -2.098 1.00 0.60 H new ATOM 0 HD21 ASN A 53 11.411 -3.374 0.210 1.00 1.28 H new ATOM 0 HD22 ASN A 53 11.111 -3.167 -1.518 1.00 1.28 H new ATOM 798 N LEU A 54 6.668 -6.679 -1.537 1.00 0.55 N ATOM 799 CA LEU A 54 5.259 -6.818 -1.880 1.00 0.51 C ATOM 800 C LEU A 54 4.393 -6.098 -0.856 1.00 0.44 C ATOM 801 O LEU A 54 4.107 -6.633 0.216 1.00 0.57 O ATOM 802 CB LEU A 54 4.880 -8.296 -1.936 1.00 0.65 C ATOM 803 CG LEU A 54 4.445 -8.710 -3.339 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.636 -9.222 -4.144 1.00 1.49 C ATOM 805 CD2 LEU A 54 3.345 -9.765 -3.272 1.00 1.49 C ATOM 0 H LEU A 54 6.847 -6.574 -0.538 1.00 0.55 H new ATOM 0 HA LEU A 54 5.090 -6.369 -2.859 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.730 -8.903 -1.624 1.00 0.65 H new ATOM 0 HB3 LEU A 54 4.072 -8.492 -1.231 1.00 0.65 H new ATOM 0 HG LEU A 54 4.045 -7.832 -3.845 1.00 0.82 H new ATOM 0 HD11 LEU A 54 5.304 -9.512 -5.141 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.385 -8.435 -4.226 1.00 1.49 H new ATOM 0 HD13 LEU A 54 6.071 -10.086 -3.641 1.00 1.49 H new ATOM 0 HD21 LEU A 54 3.049 -10.047 -4.283 1.00 1.49 H new ATOM 0 HD22 LEU A 54 3.715 -10.644 -2.744 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.484 -9.359 -2.741 1.00 1.49 H new ATOM 817 N ILE A 55 3.979 -4.880 -1.188 1.00 0.31 N ATOM 818 CA ILE A 55 3.147 -4.087 -0.293 1.00 0.26 C ATOM 819 C ILE A 55 1.721 -4.617 -0.278 1.00 0.27 C ATOM 820 O ILE A 55 1.248 -5.187 -1.261 1.00 0.34 O ATOM 821 CB ILE A 55 3.153 -2.626 -0.726 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.582 -2.122 -0.897 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.401 -1.766 0.284 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.613 -0.679 -1.395 1.00 0.35 C ATOM 0 H ILE A 55 4.206 -4.421 -2.070 1.00 0.31 H new ATOM 0 HA ILE A 55 3.557 -4.162 0.714 1.00 0.26 H new ATOM 0 HB ILE A 55 2.646 -2.552 -1.688 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.109 -2.190 0.055 1.00 0.31 H new ATOM 0 HG13 ILE A 55 5.112 -2.762 -1.602 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.416 -0.726 -0.041 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.369 -2.109 0.357 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.880 -1.848 1.260 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.648 -0.354 -1.505 1.00 0.35 H new ATOM 0 HD12 ILE A 55 4.108 -0.616 -2.359 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.105 -0.035 -0.677 1.00 0.35 H new ATOM 836 N ARG A 56 1.040 -4.425 0.846 1.00 0.29 N ATOM 837 CA ARG A 56 -0.337 -4.884 0.995 1.00 0.32 C ATOM 838 C ARG A 56 -1.292 -3.700 1.063 1.00 0.29 C ATOM 839 O ARG A 56 -1.001 -2.689 1.702 1.00 0.42 O ATOM 840 CB ARG A 56 -0.470 -5.735 2.256 1.00 0.42 C ATOM 841 CG ARG A 56 0.199 -7.097 2.084 1.00 0.55 C ATOM 842 CD ARG A 56 1.269 -7.336 3.146 1.00 0.84 C ATOM 843 NE ARG A 56 2.179 -8.392 2.723 1.00 1.44 N ATOM 844 CZ ARG A 56 3.074 -8.918 3.554 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.775 -9.085 4.835 1.00 2.19 N ATOM 846 NH2 ARG A 56 4.269 -9.276 3.104 1.00 2.33 N ATOM 0 H ARG A 56 1.419 -3.955 1.668 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.596 -5.489 0.126 1.00 0.32 H new ATOM 0 HB2 ARG A 56 -0.020 -5.211 3.099 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.525 -5.874 2.493 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.554 -7.883 2.142 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.649 -7.159 1.093 1.00 0.55 H new ATOM 0 HD2 ARG A 56 1.827 -6.416 3.323 1.00 0.84 H new ATOM 0 HD3 ARG A 56 0.798 -7.610 4.090 1.00 0.84 H new ATOM 0 HE ARG A 56 2.128 -8.737 1.764 1.00 1.44 H new ATOM 0 HH11 ARG A 56 1.857 -8.810 5.185 1.00 2.19 H new ATOM 0 HH12 ARG A 56 3.463 -9.489 5.471 1.00 2.19 H new ATOM 0 HH21 ARG A 56 4.503 -9.148 2.119 1.00 2.33 H new ATOM 0 HH22 ARG A 56 4.955 -9.679 3.743 1.00 2.33 H new ATOM 860 N ILE A 57 -2.435 -3.832 0.397 1.00 0.24 N ATOM 861 CA ILE A 57 -3.437 -2.774 0.374 1.00 0.24 C ATOM 862 C ILE A 57 -4.834 -3.358 0.532 1.00 0.26 C ATOM 863 O ILE A 57 -5.286 -4.139 -0.303 1.00 0.40 O ATOM 864 CB ILE A 57 -3.348 -2.004 -0.936 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.895 -1.672 -1.265 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.189 -0.733 -0.877 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.298 -0.696 -0.254 1.00 1.32 C ATOM 0 H ILE A 57 -2.690 -4.664 -0.135 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.244 -2.096 1.206 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.745 -2.637 -1.730 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.306 -2.589 -1.278 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.837 -1.242 -2.265 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.109 -0.200 -1.824 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.231 -0.995 -0.694 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.828 -0.095 -0.070 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.263 -0.483 -0.521 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.872 0.231 -0.260 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.332 -1.137 0.742 1.00 1.32 H new ATOM 879 N GLU A 58 -5.516 -2.974 1.605 1.00 0.23 N ATOM 880 CA GLU A 58 -6.865 -3.462 1.867 1.00 0.25 C ATOM 881 C GLU A 58 -7.732 -2.345 2.422 1.00 0.24 C ATOM 882 O GLU A 58 -7.298 -1.566 3.267 1.00 0.26 O ATOM 883 CB GLU A 58 -6.819 -4.627 2.851 1.00 0.32 C ATOM 884 CG GLU A 58 -8.214 -5.158 3.165 1.00 0.37 C ATOM 885 CD GLU A 58 -8.190 -5.984 4.444 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.326 -5.720 5.306 1.00 1.47 O ATOM 887 OE2 GLU A 58 -9.034 -6.895 4.581 1.00 1.56 O ATOM 0 H GLU A 58 -5.157 -2.327 2.307 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.299 -3.808 0.929 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.209 -5.430 2.436 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.336 -4.305 3.774 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.911 -4.327 3.274 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.573 -5.769 2.336 1.00 0.37 H new ATOM 894 N GLY A 59 -8.961 -2.276 1.934 1.00 0.25 N ATOM 895 CA GLY A 59 -9.908 -1.260 2.362 1.00 0.27 C ATOM 896 C GLY A 59 -11.323 -1.772 2.182 1.00 0.39 C ATOM 897 O GLY A 59 -11.579 -2.965 2.344 1.00 0.59 O ATOM 0 H GLY A 59 -9.328 -2.920 1.233 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.734 -1.004 3.407 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.764 -0.348 1.782 1.00 0.27 H new ATOM 901 N ASP A 60 -12.248 -0.880 1.856 1.00 0.53 N ATOM 902 CA ASP A 60 -13.623 -1.285 1.674 1.00 0.70 C ATOM 903 C ASP A 60 -14.206 -0.777 0.360 1.00 0.59 C ATOM 904 O ASP A 60 -14.656 -1.571 -0.467 1.00 1.04 O ATOM 905 CB ASP A 60 -14.453 -0.789 2.842 1.00 1.22 C ATOM 906 CG ASP A 60 -15.185 -1.945 3.510 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.810 -2.751 2.790 1.00 2.31 O ATOM 908 OD2 ASP A 60 -15.131 -2.044 4.755 1.00 2.66 O ATOM 0 H ASP A 60 -12.069 0.114 1.715 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.648 -2.374 1.634 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.809 -0.292 3.567 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.173 -0.048 2.495 1.00 1.22 H new ATOM 913 N PRO A 61 -14.230 0.549 0.139 1.00 0.72 N ATOM 914 CA PRO A 61 -14.784 1.114 -1.084 1.00 1.14 C ATOM 915 C PRO A 61 -13.757 1.179 -2.205 1.00 0.88 C ATOM 916 O PRO A 61 -12.697 0.558 -2.126 1.00 1.22 O ATOM 917 CB PRO A 61 -15.230 2.506 -0.651 1.00 1.82 C ATOM 918 CG PRO A 61 -14.378 2.863 0.531 1.00 1.82 C ATOM 919 CD PRO A 61 -13.735 1.600 1.045 1.00 1.17 C ATOM 0 HA PRO A 61 -15.594 0.511 -1.495 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.099 3.227 -1.458 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.287 2.512 -0.386 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.616 3.589 0.246 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.983 3.326 1.310 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.647 1.668 1.020 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.018 1.401 2.079 1.00 1.17 H new ATOM 927 N GLN A 62 -14.076 1.938 -3.247 1.00 0.64 N ATOM 928 CA GLN A 62 -13.179 2.092 -4.385 1.00 0.47 C ATOM 929 C GLN A 62 -11.830 2.650 -3.937 1.00 0.41 C ATOM 930 O GLN A 62 -10.841 2.552 -4.658 1.00 0.47 O ATOM 931 CB GLN A 62 -13.808 3.016 -5.423 1.00 0.69 C ATOM 932 CG GLN A 62 -15.223 2.570 -5.783 1.00 0.85 C ATOM 933 CD GLN A 62 -15.588 3.037 -7.185 1.00 1.34 C ATOM 934 OE1 GLN A 62 -15.990 2.239 -8.032 1.00 2.14 O ATOM 935 NE2 GLN A 62 -15.449 4.334 -7.433 1.00 1.73 N ATOM 0 H GLN A 62 -14.951 2.457 -3.327 1.00 0.64 H new ATOM 0 HA GLN A 62 -13.015 1.111 -4.831 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -13.833 4.035 -5.037 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.190 3.031 -6.321 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -15.294 1.484 -5.725 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.933 2.975 -5.062 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -15.112 4.960 -6.701 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -15.679 4.704 -8.355 1.00 1.73 H new ATOM 944 N GLY A 63 -11.793 3.242 -2.746 1.00 0.37 N ATOM 945 CA GLY A 63 -10.565 3.814 -2.215 1.00 0.34 C ATOM 946 C GLY A 63 -9.443 2.784 -2.167 1.00 0.27 C ATOM 947 O GLY A 63 -8.270 3.135 -2.300 1.00 0.29 O ATOM 0 H GLY A 63 -12.602 3.337 -2.132 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.259 4.658 -2.833 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.747 4.202 -1.213 1.00 0.34 H new ATOM 951 N VAL A 64 -9.793 1.512 -1.966 1.00 0.24 N ATOM 952 CA VAL A 64 -8.785 0.458 -1.893 1.00 0.21 C ATOM 953 C VAL A 64 -8.249 0.106 -3.281 1.00 0.24 C ATOM 954 O VAL A 64 -7.042 -0.052 -3.462 1.00 0.28 O ATOM 955 CB VAL A 64 -9.332 -0.793 -1.184 1.00 0.24 C ATOM 956 CG1 VAL A 64 -10.187 -1.662 -2.106 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.167 -1.606 -0.631 1.00 0.26 C ATOM 0 H VAL A 64 -10.755 1.191 -1.852 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.955 0.842 -1.300 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.980 -0.459 -0.373 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.548 -2.531 -1.556 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -11.037 -1.083 -2.467 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.587 -1.993 -2.954 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.549 -2.494 -0.127 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.512 -1.907 -1.449 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.605 -1.000 0.079 1.00 0.26 H new ATOM 967 N GLN A 65 -9.144 -0.023 -4.256 1.00 0.25 N ATOM 968 CA GLN A 65 -8.739 -0.363 -5.616 1.00 0.30 C ATOM 969 C GLN A 65 -8.110 0.843 -6.306 1.00 0.30 C ATOM 970 O GLN A 65 -7.263 0.693 -7.188 1.00 0.34 O ATOM 971 CB GLN A 65 -9.938 -0.872 -6.416 1.00 0.37 C ATOM 972 CG GLN A 65 -10.933 0.241 -6.731 1.00 0.42 C ATOM 973 CD GLN A 65 -11.077 0.412 -8.237 1.00 0.78 C ATOM 974 OE1 GLN A 65 -10.848 -0.524 -9.004 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.455 1.613 -8.663 1.00 0.82 N ATOM 0 H GLN A 65 -10.149 0.102 -4.131 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.993 -1.156 -5.566 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.589 -1.319 -7.347 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.441 -1.659 -5.853 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.902 0.007 -6.291 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.597 1.176 -6.283 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.634 2.359 -7.991 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -11.566 1.788 -9.662 1.00 0.82 H new ATOM 984 N GLN A 66 -8.520 2.038 -5.892 1.00 0.29 N ATOM 985 CA GLN A 66 -7.991 3.271 -6.464 1.00 0.31 C ATOM 986 C GLN A 66 -6.578 3.518 -5.955 1.00 0.29 C ATOM 987 O GLN A 66 -5.680 3.857 -6.725 1.00 0.36 O ATOM 988 CB GLN A 66 -8.889 4.449 -6.095 1.00 0.35 C ATOM 989 CG GLN A 66 -8.788 5.577 -7.120 1.00 0.79 C ATOM 990 CD GLN A 66 -10.059 5.651 -7.954 1.00 1.10 C ATOM 991 OE1 GLN A 66 -10.021 5.519 -9.177 1.00 2.03 O ATOM 992 NE2 GLN A 66 -11.191 5.864 -7.293 1.00 1.31 N ATOM 0 H GLN A 66 -9.218 2.178 -5.161 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.966 3.172 -7.549 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.923 4.111 -6.026 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.610 4.825 -5.111 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -8.624 6.526 -6.610 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -7.928 5.411 -7.769 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.177 5.968 -6.278 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -12.074 5.924 -7.800 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.389 3.337 -4.653 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.084 3.530 -4.034 1.00 0.27 C ATOM 1003 C ALA A 67 -4.136 2.420 -4.461 1.00 0.26 C ATOM 1004 O ALA A 67 -2.956 2.660 -4.717 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.222 3.543 -2.515 1.00 0.29 C ATOM 0 H ALA A 67 -7.125 3.056 -4.005 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.677 4.487 -4.360 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.241 3.688 -2.062 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.883 4.357 -2.217 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.640 2.594 -2.180 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.663 1.201 -4.543 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.868 0.050 -4.948 1.00 0.28 C ATOM 1013 C LYS A 68 -3.216 0.314 -6.299 1.00 0.31 C ATOM 1014 O LYS A 68 -1.997 0.226 -6.439 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.754 -1.194 -5.028 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.992 -2.398 -5.574 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.526 -2.830 -6.935 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.576 -3.801 -7.629 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.008 -4.073 -9.028 1.00 0.88 N ATOM 0 H LYS A 68 -5.638 0.987 -4.334 1.00 0.25 H new ATOM 0 HA LYS A 68 -3.087 -0.118 -4.207 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -5.142 -1.428 -4.037 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.613 -0.988 -5.666 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.934 -2.151 -5.659 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -4.070 -3.228 -4.872 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.501 -3.301 -6.811 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.673 -1.952 -7.564 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.568 -3.387 -7.631 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.536 -4.736 -7.070 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.343 -4.736 -9.474 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.961 -4.490 -9.022 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.023 -3.183 -9.566 1.00 0.88 H new ATOM 1033 N ARG A 69 -4.038 0.643 -7.291 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.541 0.926 -8.632 1.00 0.43 C ATOM 1035 C ARG A 69 -2.663 2.170 -8.617 1.00 0.42 C ATOM 1036 O ARG A 69 -1.611 2.208 -9.254 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.710 1.126 -9.591 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.791 0.003 -10.620 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.727 0.540 -12.048 1.00 1.36 C ATOM 1040 NE ARG A 69 -5.853 0.038 -12.829 1.00 1.81 N ATOM 1041 CZ ARG A 69 -6.041 0.395 -14.097 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -6.407 1.635 -14.391 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -5.861 -0.489 -15.070 1.00 2.98 N ATOM 0 H ARG A 69 -5.050 0.720 -7.191 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.945 0.079 -8.970 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.641 1.170 -9.026 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.602 2.082 -10.103 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.973 -0.699 -10.458 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -5.719 -0.552 -10.481 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -4.742 1.630 -12.035 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -3.789 0.240 -12.515 1.00 1.36 H new ATOM 0 HE ARG A 69 -6.514 -0.604 -12.391 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -6.545 2.317 -13.645 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -6.551 1.907 -15.363 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -5.578 -1.443 -14.846 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -6.005 -0.214 -16.042 1.00 2.98 H new ATOM 1057 N GLU A 70 -3.103 3.185 -7.881 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.361 4.438 -7.775 1.00 0.43 C ATOM 1059 C GLU A 70 -0.911 4.172 -7.390 1.00 0.44 C ATOM 1060 O GLU A 70 0.000 4.856 -7.858 1.00 0.56 O ATOM 1061 CB GLU A 70 -3.017 5.339 -6.732 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.355 6.713 -6.676 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.018 7.660 -7.666 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.065 7.327 -8.868 1.00 1.38 O ATOM 1065 OE2 GLU A 70 -3.489 8.736 -7.238 1.00 1.50 O ATOM 0 H GLU A 70 -3.972 3.165 -7.347 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.376 4.935 -8.745 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.076 5.454 -6.965 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.956 4.866 -5.752 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.430 7.119 -5.667 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.293 6.622 -6.905 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.702 3.179 -6.534 1.00 0.40 N ATOM 1073 CA LEU A 71 0.638 2.822 -6.080 1.00 0.47 C ATOM 1074 C LEU A 71 1.341 1.944 -7.108 1.00 0.52 C ATOM 1075 O LEU A 71 2.525 2.123 -7.389 1.00 0.60 O ATOM 1076 CB LEU A 71 0.554 2.082 -4.749 1.00 0.51 C ATOM 1077 CG LEU A 71 0.181 3.023 -3.606 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.742 2.324 -2.613 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.434 3.543 -2.906 1.00 1.15 C ATOM 0 H LEU A 71 -1.446 2.604 -6.139 1.00 0.40 H new ATOM 0 HA LEU A 71 1.213 3.739 -5.953 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.186 1.285 -4.821 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.512 1.609 -4.534 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.353 3.876 -4.025 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.996 3.012 -1.806 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.653 2.010 -3.122 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.237 1.451 -2.200 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.147 4.212 -2.095 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.999 2.704 -2.501 1.00 1.15 H new ATOM 0 HD23 LEU A 71 2.052 4.085 -3.622 1.00 1.15 H new ATOM 1091 N LEU A 72 0.605 0.985 -7.656 1.00 0.52 N ATOM 1092 CA LEU A 72 1.152 0.062 -8.645 1.00 0.63 C ATOM 1093 C LEU A 72 1.860 0.808 -9.772 1.00 0.67 C ATOM 1094 O LEU A 72 2.798 0.286 -10.375 1.00 0.83 O ATOM 1095 CB LEU A 72 0.036 -0.803 -9.221 1.00 0.66 C ATOM 1096 CG LEU A 72 0.455 -2.267 -9.315 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.701 -3.127 -9.819 1.00 1.04 C ATOM 1098 CD2 LEU A 72 1.676 -2.424 -10.215 1.00 1.99 C ATOM 0 H LEU A 72 -0.377 0.825 -7.431 1.00 0.52 H new ATOM 0 HA LEU A 72 1.885 -0.570 -8.145 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.852 -0.717 -8.595 1.00 0.66 H new ATOM 0 HB3 LEU A 72 -0.235 -0.437 -10.211 1.00 0.66 H new ATOM 0 HG LEU A 72 0.724 -2.608 -8.315 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.381 -4.167 -9.879 1.00 1.04 H new ATOM 0 HD12 LEU A 72 -1.542 -3.045 -9.131 1.00 1.04 H new ATOM 0 HD13 LEU A 72 -1.006 -2.784 -10.808 1.00 1.04 H new ATOM 0 HD21 LEU A 72 1.957 -3.476 -10.267 1.00 1.99 H new ATOM 0 HD22 LEU A 72 1.440 -2.061 -11.215 1.00 1.99 H new ATOM 0 HD23 LEU A 72 2.506 -1.847 -9.807 1.00 1.99 H new ATOM 1110 N GLU A 73 1.407 2.024 -10.066 1.00 0.64 N ATOM 1111 CA GLU A 73 2.006 2.820 -11.137 1.00 0.74 C ATOM 1112 C GLU A 73 2.792 4.000 -10.576 1.00 0.71 C ATOM 1113 O GLU A 73 3.994 4.121 -10.812 1.00 0.88 O ATOM 1114 CB GLU A 73 0.936 3.329 -12.111 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.454 3.412 -11.481 1.00 1.00 C ATOM 1116 CD GLU A 73 -1.422 4.108 -12.428 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -1.647 3.585 -13.539 1.00 2.05 O ATOM 1118 OE2 GLU A 73 -1.955 5.175 -12.057 1.00 2.01 O ATOM 0 H GLU A 73 0.633 2.478 -9.582 1.00 0.64 H new ATOM 0 HA GLU A 73 2.693 2.168 -11.677 1.00 0.74 H new ATOM 0 HB2 GLU A 73 1.223 4.315 -12.475 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.897 2.669 -12.977 1.00 0.82 H new ATOM 0 HG2 GLU A 73 -0.817 2.410 -11.251 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -0.402 3.957 -10.538 1.00 1.00 H new ATOM 1125 N LEU A 74 2.112 4.874 -9.841 1.00 0.64 N ATOM 1126 CA LEU A 74 2.759 6.047 -9.263 1.00 0.71 C ATOM 1127 C LEU A 74 3.642 5.652 -8.088 1.00 0.82 C ATOM 1128 O LEU A 74 4.747 6.170 -7.929 1.00 1.13 O ATOM 1129 CB LEU A 74 1.709 7.054 -8.800 1.00 0.85 C ATOM 1130 CG LEU A 74 0.661 7.313 -9.879 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.467 8.184 -9.334 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.298 7.960 -11.106 1.00 1.32 C ATOM 0 H LEU A 74 1.117 4.793 -9.632 1.00 0.64 H new ATOM 0 HA LEU A 74 3.382 6.504 -10.031 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.220 6.682 -7.900 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.197 7.992 -8.534 1.00 0.85 H new ATOM 0 HG LEU A 74 0.238 6.355 -10.181 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.204 8.357 -10.118 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.943 7.679 -8.494 1.00 1.19 H new ATOM 0 HD13 LEU A 74 -0.061 9.139 -9.000 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.533 8.136 -11.863 1.00 1.32 H new ATOM 0 HD22 LEU A 74 1.753 8.909 -10.822 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.063 7.298 -11.511 1.00 1.32 H new ATOM 1144 N ALA A 75 3.148 4.734 -7.263 1.00 0.78 N ATOM 1145 CA ALA A 75 3.891 4.268 -6.098 1.00 0.99 C ATOM 1146 C ALA A 75 4.405 5.449 -5.283 1.00 1.70 C ATOM 1147 O ALA A 75 5.586 5.788 -5.341 1.00 2.16 O ATOM 1148 CB ALA A 75 5.061 3.394 -6.539 1.00 1.14 C ATOM 0 H ALA A 75 2.234 4.297 -7.381 1.00 0.78 H new ATOM 0 HA ALA A 75 3.219 3.679 -5.473 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.610 3.051 -5.662 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.684 2.533 -7.091 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.726 3.973 -7.180 1.00 1.14 H new