USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=10 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 62 GLN : amide:sc= 0 K(o=-0.21,f=-0.79) USER MOD Set 1.2: A 66 GLN : amide:sc= -0.215 X(o=-0.21,f=0) USER MOD Set 2.1: A 33 ASN : amide:sc= 0.0397 X(o=0.04,f=0) USER MOD Set 2.2: A 36 LYS NZ :NH3+ -179:sc= 0 (180deg=0) 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 :FLIP amide:sc= -0.129 F(o=-1.1,f=-0.13) USER MOD Single : A 18 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.007) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -6.94! C(o=-6.9!,f=-9!) USER MOD Single : A 23 HIS : no HD1:sc= -0.97 K(o=-0.97,f=-1.9) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00298) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -1.47 K(o=-1.5,f=-9.6!) USER MOD Single : A 38 GLN : amide:sc= -0.339 K(o=-0.34,f=-1.9) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0399 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 53 ASN : amide:sc= -0.504 K(o=-0.5,f=-4.3!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -15.883 -5.934 2.366 1.00 1.18 N ATOM 59 CA MET A 9 -14.446 -5.881 2.616 1.00 0.82 C ATOM 60 C MET A 9 -13.670 -6.218 1.348 1.00 0.72 C ATOM 61 O MET A 9 -14.059 -7.103 0.588 1.00 0.97 O ATOM 62 CB MET A 9 -14.075 -6.857 3.729 1.00 1.08 C ATOM 63 CG MET A 9 -13.383 -6.147 4.888 1.00 1.61 C ATOM 64 SD MET A 9 -14.302 -6.287 6.431 1.00 2.27 S ATOM 65 CE MET A 9 -12.956 -6.441 7.615 1.00 2.82 C ATOM 0 HA MET A 9 -14.184 -4.869 2.925 1.00 0.82 H new ATOM 0 HB2 MET A 9 -14.974 -7.356 4.091 1.00 1.08 H new ATOM 0 HB3 MET A 9 -13.419 -7.631 3.331 1.00 1.08 H new ATOM 0 HG2 MET A 9 -12.386 -6.566 5.023 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.255 -5.093 4.640 1.00 1.61 H new ATOM 0 HE1 MET A 9 -13.365 -6.537 8.621 1.00 2.82 H new ATOM 0 HE2 MET A 9 -12.363 -7.325 7.379 1.00 2.82 H new ATOM 0 HE3 MET A 9 -12.323 -5.555 7.564 1.00 2.82 H new ATOM 75 N ASP A 10 -12.569 -5.504 1.127 1.00 0.49 N ATOM 76 CA ASP A 10 -11.735 -5.725 -0.050 1.00 0.42 C ATOM 77 C ASP A 10 -10.260 -5.617 0.308 1.00 0.38 C ATOM 78 O ASP A 10 -9.905 -5.133 1.382 1.00 0.54 O ATOM 79 CB ASP A 10 -12.075 -4.702 -1.129 1.00 0.44 C ATOM 80 CG ASP A 10 -13.131 -5.256 -2.075 1.00 0.86 C ATOM 81 OD1 ASP A 10 -12.755 -5.934 -3.055 1.00 1.55 O ATOM 82 OD2 ASP A 10 -14.332 -5.011 -1.836 1.00 1.53 O ATOM 0 H ASP A 10 -12.234 -4.767 1.748 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.932 -6.729 -0.426 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -12.438 -3.784 -0.667 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.176 -4.443 -1.689 1.00 0.44 H new ATOM 87 N TYR A 11 -9.404 -6.065 -0.603 1.00 0.40 N ATOM 88 CA TYR A 11 -7.963 -6.014 -0.387 1.00 0.37 C ATOM 89 C TYR A 11 -7.208 -6.402 -1.653 1.00 0.34 C ATOM 90 O TYR A 11 -7.810 -6.797 -2.651 1.00 0.38 O ATOM 91 CB TYR A 11 -7.574 -6.934 0.769 1.00 0.42 C ATOM 92 CG TYR A 11 -7.625 -8.401 0.412 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.517 -9.021 -0.139 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.780 -9.128 0.633 1.00 0.54 C ATOM 95 CE1 TYR A 11 -6.566 -10.365 -0.468 1.00 0.67 C ATOM 96 CE2 TYR A 11 -8.830 -10.471 0.303 1.00 0.63 C ATOM 97 CZ TYR A 11 -7.713 -11.086 -0.237 1.00 0.67 C ATOM 98 OH TYR A 11 -7.771 -12.419 -0.573 1.00 0.78 O ATOM 0 H TYR A 11 -9.683 -6.467 -1.498 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.689 -4.990 -0.132 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.566 -6.683 1.100 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -8.241 -6.749 1.611 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.613 -8.456 -0.313 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.645 -8.647 1.064 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -5.704 -10.846 -0.906 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.736 -11.037 0.466 1.00 0.63 H new ATOM 0 HH TYR A 11 -8.653 -12.777 -0.341 1.00 0.78 H new ATOM 108 N VAL A 12 -5.885 -6.277 -1.605 1.00 0.34 N ATOM 109 CA VAL A 12 -5.042 -6.606 -2.749 1.00 0.34 C ATOM 110 C VAL A 12 -3.568 -6.474 -2.381 1.00 0.35 C ATOM 111 O VAL A 12 -3.200 -5.667 -1.527 1.00 0.51 O ATOM 112 CB VAL A 12 -5.379 -5.675 -3.911 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.318 -4.218 -3.463 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.449 -5.917 -5.098 1.00 0.81 C ATOM 0 H VAL A 12 -5.374 -5.950 -0.785 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.230 -7.638 -3.045 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.396 -5.893 -4.236 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.561 -3.568 -4.304 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -6.035 -4.054 -2.659 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.314 -3.989 -3.106 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.712 -5.240 -5.911 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.418 -5.736 -4.795 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.552 -6.948 -5.437 1.00 0.81 H new ATOM 124 N GLU A 13 -2.725 -7.270 -3.036 1.00 0.49 N ATOM 125 CA GLU A 13 -1.289 -7.241 -2.782 1.00 0.54 C ATOM 126 C GLU A 13 -0.539 -6.793 -4.030 1.00 0.50 C ATOM 127 O GLU A 13 -0.769 -7.311 -5.123 1.00 0.60 O ATOM 128 CB GLU A 13 -0.802 -8.624 -2.355 1.00 0.67 C ATOM 129 CG GLU A 13 -1.781 -9.295 -1.394 1.00 1.05 C ATOM 130 CD GLU A 13 -1.138 -10.522 -0.759 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.108 -10.571 -0.684 1.00 2.05 O ATOM 132 OE2 GLU A 13 -1.882 -11.433 -0.338 1.00 1.97 O ATOM 0 H GLU A 13 -3.013 -7.943 -3.747 1.00 0.49 H new ATOM 0 HA GLU A 13 -1.094 -6.530 -1.979 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.669 -9.251 -3.236 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.174 -8.535 -1.877 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.081 -8.590 -0.618 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -2.686 -9.585 -1.929 1.00 1.05 H new ATOM 139 N ILE A 14 0.355 -5.825 -3.862 1.00 0.48 N ATOM 140 CA ILE A 14 1.134 -5.302 -4.978 1.00 0.49 C ATOM 141 C ILE A 14 2.572 -5.811 -4.918 1.00 0.48 C ATOM 142 O ILE A 14 3.235 -5.711 -3.884 1.00 0.43 O ATOM 143 CB ILE A 14 1.107 -3.774 -4.959 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.896 -3.227 -3.770 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.330 -3.264 -4.920 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.857 -1.702 -3.726 1.00 0.63 C ATOM 0 H ILE A 14 0.558 -5.387 -2.964 1.00 0.48 H new ATOM 0 HA ILE A 14 0.689 -5.653 -5.909 1.00 0.49 H new ATOM 0 HB ILE A 14 1.579 -3.418 -5.875 1.00 0.52 H new ATOM 0 HG12 ILE A 14 1.486 -3.629 -2.844 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.931 -3.564 -3.833 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.329 -2.174 -4.907 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.865 -3.616 -5.802 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.824 -3.637 -4.023 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.428 -1.348 -2.868 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.291 -1.300 -4.642 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.824 -1.367 -3.637 1.00 0.63 H new ATOM 158 N ASN A 15 3.047 -6.355 -6.035 1.00 0.59 N ATOM 159 CA ASN A 15 4.404 -6.878 -6.116 1.00 0.62 C ATOM 160 C ASN A 15 5.402 -5.742 -6.297 1.00 0.60 C ATOM 161 O ASN A 15 5.285 -4.944 -7.227 1.00 0.78 O ATOM 162 CB ASN A 15 4.518 -7.859 -7.282 1.00 0.79 C ATOM 163 CG ASN A 15 5.537 -8.944 -6.964 1.00 1.31 C ATOM 164 OD1 ASN A 15 5.069 -10.048 -6.392 1.00 2.20 O flip ATOM 165 ND2 ASN A 15 6.729 -8.789 -7.230 1.00 1.54 N flip ATOM 0 H ASN A 15 2.510 -6.444 -6.897 1.00 0.59 H new ATOM 0 HA ASN A 15 4.631 -7.399 -5.186 1.00 0.62 H new ATOM 0 HB2 ASN A 15 3.546 -8.311 -7.482 1.00 0.79 H new ATOM 0 HB3 ASN A 15 4.814 -7.327 -8.186 1.00 0.79 H new ATOM 0 HD21 ASN A 15 7.045 -7.925 -7.670 1.00 1.54 H new ATOM 0 HD22 ASN A 15 7.400 -9.525 -7.011 1.00 1.54 H new ATOM 172 N ILE A 16 6.381 -5.672 -5.402 1.00 0.49 N ATOM 173 CA ILE A 16 7.398 -4.629 -5.461 1.00 0.49 C ATOM 174 C ILE A 16 8.791 -5.242 -5.410 1.00 0.56 C ATOM 175 O ILE A 16 8.951 -6.414 -5.067 1.00 0.66 O ATOM 176 CB ILE A 16 7.217 -3.655 -4.300 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.740 -3.315 -4.104 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.029 -2.385 -4.528 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.106 -2.807 -5.396 1.00 0.84 C ATOM 0 H ILE A 16 6.492 -6.325 -4.627 1.00 0.49 H new ATOM 0 HA ILE A 16 7.287 -4.089 -6.401 1.00 0.49 H new ATOM 0 HB ILE A 16 7.582 -4.139 -3.394 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.205 -4.199 -3.758 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.640 -2.558 -3.326 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.885 -1.705 -3.688 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.086 -2.639 -4.612 1.00 0.58 H new ATOM 0 HG23 ILE A 16 7.698 -1.901 -5.447 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.056 -2.575 -5.219 1.00 0.84 H new ATOM 0 HD12 ILE A 16 5.625 -1.908 -5.727 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.183 -3.575 -6.166 1.00 0.84 H new ATOM 191 N ASP A 17 9.798 -4.446 -5.756 1.00 0.63 N ATOM 192 CA ASP A 17 11.179 -4.914 -5.751 1.00 0.75 C ATOM 193 C ASP A 17 12.110 -3.831 -5.220 1.00 1.00 C ATOM 194 O ASP A 17 12.670 -3.960 -4.131 1.00 1.75 O ATOM 195 CB ASP A 17 11.601 -5.310 -7.163 1.00 1.27 C ATOM 196 CG ASP A 17 10.676 -6.389 -7.709 1.00 1.63 C ATOM 197 OD1 ASP A 17 10.329 -7.318 -6.948 1.00 2.16 O ATOM 198 OD2 ASP A 17 10.298 -6.305 -8.897 1.00 2.21 O ATOM 0 H ASP A 17 9.683 -3.474 -6.043 1.00 0.63 H new ATOM 0 HA ASP A 17 11.246 -5.784 -5.097 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.577 -4.437 -7.815 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.629 -5.673 -7.154 1.00 1.27 H new ATOM 203 N HIS A 18 12.274 -2.767 -5.998 1.00 1.27 N ATOM 204 CA HIS A 18 13.140 -1.658 -5.611 1.00 1.85 C ATOM 205 C HIS A 18 12.808 -1.183 -4.202 1.00 1.32 C ATOM 206 O HIS A 18 11.837 -1.636 -3.597 1.00 2.00 O ATOM 207 CB HIS A 18 12.983 -0.508 -6.600 1.00 2.83 C ATOM 208 CG HIS A 18 14.285 -0.080 -7.206 1.00 3.48 C ATOM 209 ND1 HIS A 18 14.415 0.302 -8.516 1.00 4.01 N ATOM 210 CD2 HIS A 18 15.534 0.029 -6.685 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.657 0.626 -8.790 1.00 4.73 C ATOM 212 NE2 HIS A 18 16.373 0.471 -7.689 1.00 4.84 N ATOM 0 H HIS A 18 11.818 -2.648 -6.903 1.00 1.27 H new ATOM 0 HA HIS A 18 14.174 -2.004 -5.624 1.00 1.85 H new ATOM 0 HB2 HIS A 18 12.300 -0.809 -7.394 1.00 2.83 H new ATOM 0 HB3 HIS A 18 12.527 0.342 -6.092 1.00 2.83 H new ATOM 0 HD2 HIS A 18 15.820 -0.191 -5.667 1.00 4.16 H new ATOM 0 HE1 HIS A 18 16.029 0.961 -9.747 1.00 4.73 H new ATOM 0 HE2 HIS A 18 17.373 0.648 -7.597 1.00 4.84 H new ATOM 220 N LYS A 19 13.621 -0.269 -3.685 1.00 0.82 N ATOM 221 CA LYS A 19 13.418 0.267 -2.345 1.00 0.84 C ATOM 222 C LYS A 19 12.196 1.176 -2.311 1.00 0.77 C ATOM 223 O LYS A 19 12.309 2.376 -2.059 1.00 1.13 O ATOM 224 CB LYS A 19 14.656 1.040 -1.899 1.00 1.47 C ATOM 225 CG LYS A 19 15.938 0.279 -2.224 1.00 1.97 C ATOM 226 CD LYS A 19 16.772 1.006 -3.273 1.00 2.72 C ATOM 227 CE LYS A 19 17.622 2.108 -2.648 1.00 3.37 C ATOM 228 NZ LYS A 19 18.142 3.044 -3.683 1.00 4.03 N ATOM 0 H LYS A 19 14.428 0.117 -4.175 1.00 0.82 H new ATOM 0 HA LYS A 19 13.250 -0.565 -1.661 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.675 2.013 -2.390 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.604 1.225 -0.826 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.526 0.151 -1.315 1.00 1.97 H new ATOM 0 HG3 LYS A 19 15.688 -0.719 -2.585 1.00 1.97 H new ATOM 0 HD2 LYS A 19 17.418 0.292 -3.784 1.00 2.72 H new ATOM 0 HD3 LYS A 19 16.114 1.437 -4.028 1.00 2.72 H new ATOM 0 HE2 LYS A 19 17.027 2.661 -1.921 1.00 3.37 H new ATOM 0 HE3 LYS A 19 18.456 1.663 -2.105 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 18.716 3.782 -3.227 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.729 2.519 -4.362 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 17.345 3.486 -4.184 1.00 4.03 H new ATOM 242 N PHE A 20 11.029 0.597 -2.570 1.00 0.63 N ATOM 243 CA PHE A 20 9.780 1.351 -2.571 1.00 0.61 C ATOM 244 C PHE A 20 9.291 1.583 -1.147 1.00 0.62 C ATOM 245 O PHE A 20 8.867 2.685 -0.798 1.00 0.95 O ATOM 246 CB PHE A 20 8.718 0.597 -3.368 1.00 0.62 C ATOM 247 CG PHE A 20 8.317 1.307 -4.636 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.274 1.634 -5.580 1.00 1.08 C ATOM 249 CD2 PHE A 20 6.990 1.635 -4.860 1.00 0.96 C ATOM 250 CE1 PHE A 20 8.907 2.285 -6.745 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.624 2.285 -6.025 1.00 1.17 C ATOM 252 CZ PHE A 20 7.579 2.612 -6.965 1.00 1.19 C ATOM 0 H PHE A 20 10.921 -0.395 -2.783 1.00 0.63 H new ATOM 0 HA PHE A 20 9.961 2.319 -3.038 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.095 -0.395 -3.617 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.836 0.455 -2.743 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.310 1.381 -5.408 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.240 1.383 -4.124 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.655 2.538 -7.482 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.588 2.537 -6.199 1.00 1.17 H new ATOM 0 HZ PHE A 20 7.292 3.123 -7.872 1.00 1.19 H new ATOM 262 N HIS A 21 9.350 0.537 -0.330 1.00 0.53 N ATOM 263 CA HIS A 21 8.909 0.621 1.058 1.00 0.57 C ATOM 264 C HIS A 21 9.589 1.781 1.776 1.00 0.69 C ATOM 265 O HIS A 21 8.953 2.786 2.092 1.00 1.03 O ATOM 266 CB HIS A 21 9.220 -0.684 1.783 1.00 0.54 C ATOM 267 CG HIS A 21 8.438 -1.850 1.260 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.070 -2.918 2.035 1.00 0.48 N ATOM 269 CD2 HIS A 21 7.953 -2.131 0.023 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.404 -3.803 1.331 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.312 -3.354 0.091 1.00 0.42 N ATOM 0 H HIS A 21 9.700 -0.381 -0.605 1.00 0.53 H new ATOM 0 HA HIS A 21 7.833 0.793 1.064 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.285 -0.898 1.691 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.010 -0.561 2.845 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.285 -3.013 3.028 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.051 -1.511 -0.856 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.002 -4.735 1.700 1.00 0.45 H new ATOM 279 N ARG A 22 10.885 1.632 2.035 1.00 0.68 N ATOM 280 CA ARG A 22 11.659 2.661 2.725 1.00 0.80 C ATOM 281 C ARG A 22 11.394 4.040 2.128 1.00 0.81 C ATOM 282 O ARG A 22 11.451 5.050 2.830 1.00 0.92 O ATOM 283 CB ARG A 22 13.148 2.339 2.634 1.00 0.93 C ATOM 284 CG ARG A 22 13.901 2.806 3.875 1.00 1.64 C ATOM 285 CD ARG A 22 15.396 2.946 3.603 1.00 2.14 C ATOM 286 NE ARG A 22 16.129 3.090 4.856 1.00 2.73 N ATOM 287 CZ ARG A 22 17.367 2.626 4.994 1.00 3.33 C ATOM 288 NH1 ARG A 22 18.238 2.749 4.003 1.00 3.72 N ATOM 289 NH2 ARG A 22 17.734 2.038 6.125 1.00 3.95 N ATOM 0 H ARG A 22 11.424 0.805 1.776 1.00 0.68 H new ATOM 0 HA ARG A 22 11.351 2.674 3.770 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.281 1.264 2.510 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.571 2.817 1.750 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.499 3.763 4.207 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.743 2.096 4.687 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.757 2.072 3.061 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.577 3.812 2.967 1.00 2.14 H new ATOM 0 HE ARG A 22 15.681 3.557 5.644 1.00 2.73 H new ATOM 0 HH11 ARG A 22 17.959 3.201 3.132 1.00 3.72 H new ATOM 0 HH12 ARG A 22 19.187 2.392 4.111 1.00 3.72 H new ATOM 0 HH21 ARG A 22 17.066 1.942 6.890 1.00 3.95 H new ATOM 0 HH22 ARG A 22 18.684 1.682 6.230 1.00 3.95 H new ATOM 303 N HIS A 23 11.105 4.074 0.833 1.00 0.90 N ATOM 304 CA HIS A 23 10.834 5.330 0.140 1.00 0.98 C ATOM 305 C HIS A 23 9.428 5.824 0.452 1.00 0.96 C ATOM 306 O HIS A 23 9.164 7.027 0.430 1.00 1.12 O ATOM 307 CB HIS A 23 10.991 5.139 -1.365 1.00 1.02 C ATOM 308 CG HIS A 23 12.408 5.276 -1.828 1.00 1.30 C ATOM 309 ND1 HIS A 23 13.465 4.659 -1.212 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.959 5.968 -2.859 1.00 1.56 C ATOM 311 CE1 HIS A 23 14.594 4.944 -1.817 1.00 2.07 C ATOM 312 NE2 HIS A 23 14.323 5.746 -2.834 1.00 1.86 N ATOM 0 H HIS A 23 11.052 3.246 0.240 1.00 0.90 H new ATOM 0 HA HIS A 23 11.550 6.075 0.486 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.618 4.153 -1.641 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.372 5.871 -1.885 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.427 6.582 -3.571 1.00 1.56 H new ATOM 0 HE1 HIS A 23 15.573 4.587 -1.534 1.00 2.07 H new ATOM 0 HE2 HIS A 23 15.004 6.134 -3.487 1.00 1.86 H new ATOM 320 N LEU A 24 8.526 4.891 0.735 1.00 0.86 N ATOM 321 CA LEU A 24 7.142 5.232 1.044 1.00 0.87 C ATOM 322 C LEU A 24 6.964 5.484 2.536 1.00 0.97 C ATOM 323 O LEU A 24 6.266 6.415 2.937 1.00 1.16 O ATOM 324 CB LEU A 24 6.217 4.105 0.595 1.00 0.73 C ATOM 325 CG LEU A 24 6.338 3.846 -0.905 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.236 2.354 -1.205 1.00 0.72 C ATOM 327 CD2 LEU A 24 5.276 4.626 -1.674 1.00 1.25 C ATOM 0 H LEU A 24 8.728 3.892 0.757 1.00 0.86 H new ATOM 0 HA LEU A 24 6.886 6.146 0.508 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.459 3.194 1.143 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.186 4.360 0.839 1.00 0.73 H new ATOM 0 HG LEU A 24 7.318 4.192 -1.233 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.325 2.192 -2.279 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.038 1.824 -0.691 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.273 1.978 -0.860 1.00 0.72 H new ATOM 0 HD21 LEU A 24 5.380 4.427 -2.741 1.00 1.25 H new ATOM 0 HD22 LEU A 24 4.285 4.316 -1.342 1.00 1.25 H new ATOM 0 HD23 LEU A 24 5.403 5.693 -1.490 1.00 1.25 H new ATOM 339 N ILE A 25 7.592 4.648 3.356 1.00 0.92 N ATOM 340 CA ILE A 25 7.494 4.784 4.804 1.00 1.10 C ATOM 341 C ILE A 25 8.580 5.711 5.336 1.00 1.41 C ATOM 342 O ILE A 25 9.308 5.362 6.265 1.00 1.91 O ATOM 343 CB ILE A 25 7.608 3.416 5.469 1.00 0.94 C ATOM 344 CG1 ILE A 25 8.975 2.794 5.205 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.501 2.485 4.988 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.416 1.912 6.370 1.00 0.91 C ATOM 0 H ILE A 25 8.173 3.870 3.043 1.00 0.92 H new ATOM 0 HA ILE A 25 6.523 5.218 5.041 1.00 1.10 H new ATOM 0 HB ILE A 25 7.497 3.558 6.544 1.00 0.94 H new ATOM 0 HG12 ILE A 25 8.937 2.201 4.291 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.711 3.582 5.044 1.00 0.90 H new ATOM 0 HG21 ILE A 25 6.603 1.516 5.476 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.531 2.915 5.235 1.00 1.06 H new ATOM 0 HG23 ILE A 25 6.577 2.357 3.908 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.394 1.483 6.152 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.477 2.512 7.278 1.00 0.91 H new ATOM 0 HD13 ILE A 25 8.692 1.110 6.514 1.00 0.91 H new ATOM 358 N GLY A 26 8.684 6.895 4.741 1.00 1.49 N ATOM 359 CA GLY A 26 9.681 7.874 5.156 1.00 1.87 C ATOM 360 C GLY A 26 9.533 8.213 6.634 1.00 1.82 C ATOM 361 O GLY A 26 8.427 8.213 7.173 1.00 2.29 O ATOM 0 H GLY A 26 8.090 7.199 3.970 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.681 7.482 4.968 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.576 8.780 4.559 1.00 1.87 H new ATOM 365 N LYS A 27 10.656 8.502 7.283 1.00 1.86 N ATOM 366 CA LYS A 27 10.658 8.847 8.700 1.00 1.91 C ATOM 367 C LYS A 27 9.886 7.813 9.509 1.00 1.62 C ATOM 368 O LYS A 27 8.893 8.137 10.160 1.00 2.38 O ATOM 369 CB LYS A 27 10.041 10.226 8.903 1.00 2.21 C ATOM 370 CG LYS A 27 11.091 11.330 8.807 1.00 2.65 C ATOM 371 CD LYS A 27 10.954 12.124 7.511 1.00 3.30 C ATOM 372 CE LYS A 27 12.066 13.160 7.369 1.00 3.80 C ATOM 373 NZ LYS A 27 11.878 14.289 8.323 1.00 4.51 N ATOM 0 H LYS A 27 11.579 8.504 6.849 1.00 1.86 H new ATOM 0 HA LYS A 27 11.691 8.859 9.048 1.00 1.91 H new ATOM 0 HB2 LYS A 27 9.267 10.393 8.154 1.00 2.21 H new ATOM 0 HB3 LYS A 27 9.556 10.268 9.878 1.00 2.21 H new ATOM 0 HG2 LYS A 27 10.991 12.003 9.659 1.00 2.65 H new ATOM 0 HG3 LYS A 27 12.087 10.891 8.862 1.00 2.65 H new ATOM 0 HD2 LYS A 27 10.980 11.442 6.661 1.00 3.30 H new ATOM 0 HD3 LYS A 27 9.985 12.623 7.490 1.00 3.30 H new ATOM 0 HE2 LYS A 27 13.032 12.687 7.547 1.00 3.80 H new ATOM 0 HE3 LYS A 27 12.082 13.542 6.348 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 12.630 14.993 8.180 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 10.952 14.732 8.158 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 11.921 13.930 9.298 1.00 4.51 H new ATOM 387 N SER A 28 10.349 6.568 9.467 1.00 1.28 N ATOM 388 CA SER A 28 9.703 5.485 10.200 1.00 1.60 C ATOM 389 C SER A 28 8.224 5.400 9.844 1.00 1.60 C ATOM 390 O SER A 28 7.368 5.315 10.725 1.00 2.28 O ATOM 391 CB SER A 28 9.861 5.706 11.700 1.00 1.99 C ATOM 392 OG SER A 28 10.053 4.465 12.364 1.00 2.57 O ATOM 0 H SER A 28 11.170 6.284 8.933 1.00 1.28 H new ATOM 0 HA SER A 28 10.182 4.546 9.920 1.00 1.60 H new ATOM 0 HB2 SER A 28 10.710 6.363 11.890 1.00 1.99 H new ATOM 0 HB3 SER A 28 8.977 6.205 12.096 1.00 1.99 H new ATOM 0 HG SER A 28 10.155 4.621 13.326 1.00 2.57 H new ATOM 398 N GLY A 29 7.928 5.422 8.549 1.00 1.21 N ATOM 399 CA GLY A 29 6.551 5.345 8.075 1.00 1.23 C ATOM 400 C GLY A 29 5.792 6.630 8.387 1.00 1.36 C ATOM 401 O GLY A 29 6.034 7.273 9.408 1.00 2.05 O ATOM 0 H GLY A 29 8.625 5.493 7.807 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.542 5.165 7.000 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.048 4.499 8.543 1.00 1.23 H new ATOM 405 N ALA A 30 4.875 6.999 7.498 1.00 1.00 N ATOM 406 CA ALA A 30 4.080 8.209 7.676 1.00 1.10 C ATOM 407 C ALA A 30 3.043 8.339 6.567 1.00 1.06 C ATOM 408 O ALA A 30 1.853 8.513 6.835 1.00 1.43 O ATOM 409 CB ALA A 30 4.992 9.433 7.677 1.00 1.27 C ATOM 0 H ALA A 30 4.664 6.477 6.647 1.00 1.00 H new ATOM 0 HA ALA A 30 3.560 8.144 8.632 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.392 10.333 7.810 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.710 9.351 8.493 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.526 9.490 6.728 1.00 1.27 H new ATOM 415 N ASN A 31 3.499 8.255 5.322 1.00 0.73 N ATOM 416 CA ASN A 31 2.610 8.365 4.169 1.00 0.69 C ATOM 417 C ASN A 31 1.444 7.394 4.295 1.00 0.60 C ATOM 418 O ASN A 31 0.368 7.627 3.744 1.00 0.58 O ATOM 419 CB ASN A 31 3.381 8.080 2.884 1.00 0.71 C ATOM 420 CG ASN A 31 3.519 9.350 2.055 1.00 1.24 C ATOM 421 OD1 ASN A 31 2.740 10.291 2.207 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.513 9.378 1.175 1.00 1.42 N ATOM 0 H ASN A 31 4.480 8.111 5.084 1.00 0.73 H new ATOM 0 HA ASN A 31 2.217 9.381 4.135 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.368 7.686 3.125 1.00 0.71 H new ATOM 0 HB3 ASN A 31 2.865 7.314 2.305 1.00 0.71 H new ATOM 0 HD21 ASN A 31 4.655 10.203 0.592 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.135 8.575 1.083 1.00 1.42 H new ATOM 429 N ILE A 32 1.663 6.303 5.022 1.00 0.58 N ATOM 430 CA ILE A 32 0.628 5.292 5.220 1.00 0.56 C ATOM 431 C ILE A 32 -0.676 5.940 5.668 1.00 0.52 C ATOM 432 O ILE A 32 -1.762 5.458 5.347 1.00 0.51 O ATOM 433 CB ILE A 32 1.084 4.271 6.258 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.741 4.967 7.448 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.040 3.258 5.638 1.00 0.69 C ATOM 436 CD1 ILE A 32 1.226 4.416 8.775 1.00 1.07 C ATOM 0 H ILE A 32 2.548 6.095 5.484 1.00 0.58 H new ATOM 0 HA ILE A 32 0.456 4.784 4.271 1.00 0.56 H new ATOM 0 HB ILE A 32 0.204 3.736 6.615 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.822 4.838 7.395 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.545 6.038 7.397 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.352 2.540 6.397 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.537 2.733 4.826 1.00 0.69 H new ATOM 0 HG23 ILE A 32 2.916 3.776 5.247 1.00 0.69 H new ATOM 0 HD11 ILE A 32 1.716 4.935 9.599 1.00 1.07 H new ATOM 0 HD12 ILE A 32 0.149 4.569 8.839 1.00 1.07 H new ATOM 0 HD13 ILE A 32 1.445 3.350 8.836 1.00 1.07 H new ATOM 448 N ASN A 33 -0.561 7.038 6.407 1.00 0.56 N ATOM 449 CA ASN A 33 -1.730 7.757 6.897 1.00 0.59 C ATOM 450 C ASN A 33 -2.307 8.640 5.799 1.00 0.54 C ATOM 451 O ASN A 33 -3.521 8.824 5.711 1.00 0.55 O ATOM 452 CB ASN A 33 -1.352 8.609 8.104 1.00 0.71 C ATOM 453 CG ASN A 33 -2.407 8.480 9.194 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.103 8.106 10.326 1.00 1.51 O ATOM 455 ND2 ASN A 33 -3.652 8.792 8.853 1.00 1.62 N ATOM 0 H ASN A 33 0.331 7.450 6.680 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.486 7.031 7.196 1.00 0.59 H new ATOM 0 HB2 ASN A 33 -0.382 8.296 8.489 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -1.254 9.653 7.805 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -4.401 8.726 9.542 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -3.859 9.098 7.902 1.00 1.62 H new ATOM 462 N ARG A 34 -1.429 9.182 4.962 1.00 0.55 N ATOM 463 CA ARG A 34 -1.848 10.046 3.864 1.00 0.56 C ATOM 464 C ARG A 34 -2.883 9.339 2.998 1.00 0.48 C ATOM 465 O ARG A 34 -4.012 9.806 2.860 1.00 0.48 O ATOM 466 CB ARG A 34 -0.639 10.434 3.018 1.00 0.65 C ATOM 467 CG ARG A 34 -0.810 11.815 2.391 1.00 0.89 C ATOM 468 CD ARG A 34 -0.165 12.904 3.244 1.00 1.22 C ATOM 469 NE ARG A 34 1.254 12.626 3.434 1.00 1.69 N ATOM 470 CZ ARG A 34 2.185 13.192 2.672 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.357 12.788 1.421 1.00 2.78 N ATOM 472 NH2 ARG A 34 2.944 14.164 3.162 1.00 2.90 N ATOM 0 H ARG A 34 -0.421 9.038 5.023 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.298 10.947 4.280 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.257 10.424 3.638 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.491 9.693 2.232 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.365 11.821 1.396 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.871 12.030 2.267 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -0.291 13.874 2.763 1.00 1.22 H new ATOM 0 HD3 ARG A 34 -0.664 12.961 4.211 1.00 1.22 H new ATOM 0 HE ARG A 34 1.540 11.981 4.170 1.00 1.69 H new ATOM 0 HH11 ARG A 34 1.775 12.042 1.041 1.00 2.78 H new ATOM 0 HH12 ARG A 34 3.072 13.224 0.838 1.00 2.78 H new ATOM 0 HH21 ARG A 34 2.813 14.477 4.124 1.00 2.90 H new ATOM 0 HH22 ARG A 34 3.658 14.598 2.577 1.00 2.90 H new ATOM 486 N ILE A 35 -2.490 8.207 2.423 1.00 0.45 N ATOM 487 CA ILE A 35 -3.386 7.427 1.574 1.00 0.40 C ATOM 488 C ILE A 35 -4.540 6.875 2.403 1.00 0.34 C ATOM 489 O ILE A 35 -5.708 7.076 2.071 1.00 0.34 O ATOM 490 CB ILE A 35 -2.614 6.284 0.913 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.519 6.836 0.004 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.550 5.370 0.125 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.210 7.045 0.760 1.00 1.29 C ATOM 0 H ILE A 35 -1.557 7.809 2.529 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.792 8.073 0.796 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.150 5.692 1.701 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.354 6.149 -0.826 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.846 7.783 -0.426 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.973 4.567 -0.334 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.294 4.944 0.798 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.052 5.946 -0.652 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.545 7.439 0.079 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.369 7.752 1.574 1.00 1.29 H new ATOM 0 HD13 ILE A 35 0.131 6.093 1.168 1.00 1.29 H new ATOM 505 N LYS A 36 -4.199 6.184 3.489 1.00 0.35 N ATOM 506 CA LYS A 36 -5.191 5.597 4.389 1.00 0.36 C ATOM 507 C LYS A 36 -6.354 6.562 4.626 1.00 0.39 C ATOM 508 O LYS A 36 -7.516 6.162 4.608 1.00 0.51 O ATOM 509 CB LYS A 36 -4.514 5.239 5.717 1.00 0.44 C ATOM 510 CG LYS A 36 -5.521 4.882 6.812 1.00 1.09 C ATOM 511 CD LYS A 36 -5.661 6.012 7.828 1.00 1.41 C ATOM 512 CE LYS A 36 -6.025 5.485 9.213 1.00 2.17 C ATOM 513 NZ LYS A 36 -5.243 6.176 10.276 1.00 2.76 N ATOM 0 H LYS A 36 -3.233 6.016 3.769 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.597 4.695 3.931 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.838 4.398 5.561 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -3.905 6.080 6.049 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.491 4.673 6.362 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.202 3.972 7.319 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.725 6.568 7.885 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -6.427 6.711 7.492 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -7.091 5.628 9.391 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -5.836 4.412 9.258 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -5.499 5.785 11.205 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -4.227 6.032 10.108 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -5.456 7.194 10.258 1.00 2.76 H new ATOM 527 N ASP A 37 -6.031 7.831 4.847 1.00 0.40 N ATOM 528 CA ASP A 37 -7.048 8.849 5.087 1.00 0.45 C ATOM 529 C ASP A 37 -7.544 9.437 3.771 1.00 0.44 C ATOM 530 O ASP A 37 -8.658 9.955 3.694 1.00 0.60 O ATOM 531 CB ASP A 37 -6.481 9.957 5.969 1.00 0.51 C ATOM 532 CG ASP A 37 -7.554 10.993 6.271 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.848 11.824 5.385 1.00 1.37 O ATOM 534 OD2 ASP A 37 -8.102 10.972 7.394 1.00 1.56 O ATOM 0 H ASP A 37 -5.073 8.180 4.865 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.890 8.380 5.596 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -6.103 9.533 6.899 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.637 10.433 5.470 1.00 0.51 H new ATOM 539 N GLN A 38 -6.709 9.358 2.739 1.00 0.41 N ATOM 540 CA GLN A 38 -7.063 9.886 1.426 1.00 0.46 C ATOM 541 C GLN A 38 -8.043 8.961 0.717 1.00 0.42 C ATOM 542 O GLN A 38 -8.890 9.413 -0.053 1.00 0.68 O ATOM 543 CB GLN A 38 -5.806 10.055 0.577 1.00 0.54 C ATOM 544 CG GLN A 38 -6.105 10.783 -0.730 1.00 0.65 C ATOM 545 CD GLN A 38 -6.585 12.202 -0.448 1.00 1.05 C ATOM 546 OE1 GLN A 38 -6.337 12.750 0.625 1.00 1.65 O ATOM 547 NE2 GLN A 38 -7.273 12.796 -1.416 1.00 1.66 N ATOM 0 H GLN A 38 -5.783 8.933 2.787 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.541 10.856 1.564 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.057 10.611 1.141 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.379 9.076 0.359 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.210 10.811 -1.351 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.865 10.240 -1.291 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -7.455 12.302 -2.290 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -7.620 13.746 -1.286 1.00 1.66 H new ATOM 556 N TYR A 39 -7.922 7.662 0.976 1.00 0.34 N ATOM 557 CA TYR A 39 -8.799 6.676 0.355 1.00 0.34 C ATOM 558 C TYR A 39 -9.468 5.788 1.402 1.00 0.30 C ATOM 559 O TYR A 39 -10.058 4.763 1.062 1.00 0.32 O ATOM 560 CB TYR A 39 -8.001 5.813 -0.617 1.00 0.39 C ATOM 561 CG TYR A 39 -7.479 6.583 -1.804 1.00 0.46 C ATOM 562 CD1 TYR A 39 -8.304 6.847 -2.883 1.00 0.64 C ATOM 563 CD2 TYR A 39 -6.168 7.027 -1.822 1.00 0.53 C ATOM 564 CE1 TYR A 39 -7.823 7.551 -3.973 1.00 0.73 C ATOM 565 CE2 TYR A 39 -5.686 7.731 -2.912 1.00 0.62 C ATOM 566 CZ TYR A 39 -6.516 7.989 -3.983 1.00 0.66 C ATOM 567 OH TYR A 39 -6.035 8.687 -5.066 1.00 0.77 O ATOM 0 H TYR A 39 -7.227 7.269 1.610 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.580 7.212 -0.184 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -7.162 5.362 -0.087 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.631 4.997 -0.970 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -9.327 6.502 -2.874 1.00 0.64 H new ATOM 0 HD2 TYR A 39 -5.519 6.823 -0.983 1.00 0.53 H new ATOM 0 HE1 TYR A 39 -8.470 7.757 -4.813 1.00 0.73 H new ATOM 0 HE2 TYR A 39 -4.663 8.077 -2.924 1.00 0.62 H new ATOM 0 HH TYR A 39 -5.096 8.923 -4.912 1.00 0.77 H new ATOM 577 N LYS A 40 -9.380 6.175 2.675 1.00 0.28 N ATOM 578 CA LYS A 40 -9.984 5.395 3.751 1.00 0.31 C ATOM 579 C LYS A 40 -9.560 3.936 3.648 1.00 0.29 C ATOM 580 O LYS A 40 -10.363 3.027 3.854 1.00 0.39 O ATOM 581 CB LYS A 40 -11.505 5.496 3.676 1.00 0.38 C ATOM 582 CG LYS A 40 -12.161 5.062 4.984 1.00 0.86 C ATOM 583 CD LYS A 40 -13.106 3.882 4.771 1.00 1.29 C ATOM 584 CE LYS A 40 -13.411 3.162 6.082 1.00 1.88 C ATOM 585 NZ LYS A 40 -14.384 3.930 6.908 1.00 2.56 N ATOM 0 H LYS A 40 -8.899 7.020 2.983 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.644 5.795 4.706 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.791 6.523 3.448 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.872 4.874 2.860 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.391 4.787 5.705 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -12.713 5.899 5.411 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -14.035 4.236 4.325 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -12.660 3.181 4.065 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -13.813 2.171 5.870 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -12.488 3.018 6.644 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.571 3.415 7.792 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -13.989 4.866 7.129 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -15.273 4.045 6.380 1.00 2.56 H new ATOM 599 N VAL A 41 -8.292 3.721 3.311 1.00 0.23 N ATOM 600 CA VAL A 41 -7.755 2.375 3.160 1.00 0.23 C ATOM 601 C VAL A 41 -6.727 2.071 4.242 1.00 0.27 C ATOM 602 O VAL A 41 -6.502 2.876 5.145 1.00 0.33 O ATOM 603 CB VAL A 41 -7.114 2.234 1.784 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.184 2.143 0.702 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.170 3.403 1.508 1.00 0.23 C ATOM 0 H VAL A 41 -7.616 4.465 3.137 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.574 1.663 3.260 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.532 1.313 1.770 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.708 2.043 -0.273 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -8.816 1.275 0.888 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.794 3.046 0.717 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.722 3.284 0.521 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.729 4.338 1.543 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.384 3.422 2.263 1.00 0.23 H new ATOM 615 N SER A 42 -6.105 0.899 4.141 1.00 0.29 N ATOM 616 CA SER A 42 -5.099 0.477 5.105 1.00 0.34 C ATOM 617 C SER A 42 -3.853 -0.018 4.384 1.00 0.30 C ATOM 618 O SER A 42 -3.713 -1.212 4.114 1.00 0.36 O ATOM 619 CB SER A 42 -5.659 -0.629 5.992 1.00 0.43 C ATOM 620 OG SER A 42 -5.979 -0.116 7.277 1.00 0.93 O ATOM 0 H SER A 42 -6.283 0.224 3.397 1.00 0.29 H new ATOM 0 HA SER A 42 -4.830 1.331 5.727 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.549 -1.058 5.532 1.00 0.43 H new ATOM 0 HB3 SER A 42 -4.930 -1.434 6.086 1.00 0.43 H new ATOM 0 HG SER A 42 -6.339 -0.836 7.836 1.00 0.93 H new ATOM 626 N VAL A 43 -2.952 0.906 4.068 1.00 0.33 N ATOM 627 CA VAL A 43 -1.717 0.565 3.376 1.00 0.34 C ATOM 628 C VAL A 43 -0.673 0.070 4.368 1.00 0.35 C ATOM 629 O VAL A 43 -0.379 0.737 5.360 1.00 0.55 O ATOM 630 CB VAL A 43 -1.187 1.782 2.624 1.00 0.49 C ATOM 631 CG1 VAL A 43 0.121 1.450 1.912 1.00 0.54 C ATOM 632 CG2 VAL A 43 -2.226 2.296 1.630 1.00 1.25 C ATOM 0 H VAL A 43 -3.055 1.898 4.281 1.00 0.33 H new ATOM 0 HA VAL A 43 -1.925 -0.232 2.662 1.00 0.34 H new ATOM 0 HB VAL A 43 -0.989 2.571 3.350 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.481 2.332 1.382 1.00 0.54 H new ATOM 0 HG12 VAL A 43 0.865 1.138 2.645 1.00 0.54 H new ATOM 0 HG13 VAL A 43 -0.047 0.642 1.200 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -1.828 3.164 1.104 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -2.460 1.512 0.910 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -3.132 2.580 2.165 1.00 1.25 H new ATOM 642 N ARG A 44 -0.117 -1.107 4.098 1.00 0.31 N ATOM 643 CA ARG A 44 0.892 -1.697 4.970 1.00 0.42 C ATOM 644 C ARG A 44 2.188 -1.943 4.206 1.00 0.40 C ATOM 645 O ARG A 44 2.183 -2.537 3.127 1.00 0.41 O ATOM 646 CB ARG A 44 0.375 -3.010 5.551 1.00 0.52 C ATOM 647 CG ARG A 44 -0.541 -2.773 6.750 1.00 0.78 C ATOM 648 CD ARG A 44 -1.971 -3.222 6.461 1.00 1.05 C ATOM 649 NE ARG A 44 -2.319 -4.375 7.285 1.00 1.31 N ATOM 650 CZ ARG A 44 -3.489 -4.995 7.162 1.00 1.74 C ATOM 651 NH1 ARG A 44 -3.650 -5.936 6.243 1.00 2.28 N ATOM 652 NH2 ARG A 44 -4.498 -4.677 7.961 1.00 2.27 N ATOM 0 H ARG A 44 -0.349 -1.672 3.281 1.00 0.31 H new ATOM 0 HA ARG A 44 1.096 -0.999 5.782 1.00 0.42 H new ATOM 0 HB2 ARG A 44 -0.167 -3.560 4.782 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.218 -3.631 5.854 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -0.157 -3.314 7.615 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -0.537 -1.714 7.009 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.663 -2.403 6.659 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -2.073 -3.477 5.406 1.00 1.05 H new ATOM 0 HE ARG A 44 -1.647 -4.714 7.973 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -2.876 -6.186 5.628 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -4.548 -6.410 6.151 1.00 2.28 H new ATOM 0 HH21 ARG A 44 -4.378 -3.955 8.672 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -5.395 -5.154 7.865 1.00 2.27 H new ATOM 666 N ILE A 45 3.296 -1.485 4.776 1.00 0.46 N ATOM 667 CA ILE A 45 4.607 -1.651 4.159 1.00 0.47 C ATOM 668 C ILE A 45 5.429 -2.674 4.949 1.00 0.53 C ATOM 669 O ILE A 45 6.041 -2.340 5.963 1.00 0.64 O ATOM 670 CB ILE A 45 5.316 -0.289 4.101 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.717 0.565 2.980 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.833 -0.425 3.920 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.201 0.122 1.599 1.00 0.56 C ATOM 0 H ILE A 45 3.313 -0.993 5.669 1.00 0.46 H new ATOM 0 HA ILE A 45 4.495 -2.026 3.142 1.00 0.47 H new ATOM 0 HB ILE A 45 5.155 0.204 5.060 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.629 0.504 3.020 1.00 0.59 H new ATOM 0 HG13 ILE A 45 4.983 1.610 3.139 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.286 0.566 3.885 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.250 -0.985 4.757 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.043 -0.952 2.989 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.751 0.756 0.835 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.286 0.209 1.549 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.912 -0.915 1.427 1.00 0.56 H new ATOM 685 N PRO A 46 5.451 -3.938 4.487 1.00 0.48 N ATOM 686 CA PRO A 46 6.204 -5.004 5.157 1.00 0.58 C ATOM 687 C PRO A 46 7.706 -4.902 4.890 1.00 0.61 C ATOM 688 O PRO A 46 8.159 -5.123 3.767 1.00 0.56 O ATOM 689 CB PRO A 46 5.620 -6.283 4.561 1.00 0.57 C ATOM 690 CG PRO A 46 5.074 -5.889 3.227 1.00 0.47 C ATOM 691 CD PRO A 46 4.750 -4.420 3.284 1.00 0.41 C ATOM 0 HA PRO A 46 6.112 -4.957 6.242 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.384 -7.054 4.460 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.837 -6.692 5.200 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.802 -6.090 2.441 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.182 -6.469 2.992 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.094 -3.902 2.389 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.675 -4.252 3.356 1.00 0.41 H new ATOM 699 N PRO A 47 8.500 -4.560 5.922 1.00 0.74 N ATOM 700 CA PRO A 47 9.956 -4.427 5.781 1.00 0.81 C ATOM 701 C PRO A 47 10.649 -5.783 5.689 1.00 0.87 C ATOM 702 O PRO A 47 10.005 -6.808 5.464 1.00 1.53 O ATOM 703 CB PRO A 47 10.373 -3.676 7.042 1.00 0.98 C ATOM 704 CG PRO A 47 9.315 -3.977 8.051 1.00 1.03 C ATOM 705 CD PRO A 47 8.046 -4.276 7.294 1.00 0.85 C ATOM 0 HA PRO A 47 10.236 -3.909 4.864 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.352 -4.005 7.390 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.445 -2.604 6.856 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.604 -4.828 8.668 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.172 -3.130 8.722 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.518 -5.128 7.723 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.359 -3.430 7.319 1.00 0.85 H new ATOM 713 N ASP A 48 11.967 -5.780 5.865 1.00 1.32 N ATOM 714 CA ASP A 48 12.754 -7.008 5.803 1.00 1.46 C ATOM 715 C ASP A 48 12.732 -7.587 4.394 1.00 1.48 C ATOM 716 O ASP A 48 12.348 -8.740 4.194 1.00 2.18 O ATOM 717 CB ASP A 48 12.206 -8.031 6.792 1.00 2.16 C ATOM 718 CG ASP A 48 10.862 -7.569 7.340 1.00 2.56 C ATOM 719 OD1 ASP A 48 10.546 -6.368 7.206 1.00 3.03 O ATOM 720 OD2 ASP A 48 10.128 -8.408 7.902 1.00 3.01 O ATOM 0 H ASP A 48 12.514 -4.939 6.052 1.00 1.32 H new ATOM 0 HA ASP A 48 13.785 -6.771 6.067 1.00 1.46 H new ATOM 0 HB2 ASP A 48 12.093 -8.998 6.301 1.00 2.16 H new ATOM 0 HB3 ASP A 48 12.912 -8.170 7.611 1.00 2.16 H new ATOM 725 N SER A 49 13.145 -6.782 3.421 1.00 1.59 N ATOM 726 CA SER A 49 13.172 -7.214 2.029 1.00 2.11 C ATOM 727 C SER A 49 14.330 -8.176 1.789 1.00 1.90 C ATOM 728 O SER A 49 15.427 -7.987 2.316 1.00 2.33 O ATOM 729 CB SER A 49 13.306 -6.004 1.110 1.00 3.03 C ATOM 730 OG SER A 49 14.292 -5.110 1.604 1.00 3.81 O ATOM 0 H SER A 49 13.466 -5.826 3.571 1.00 1.59 H new ATOM 0 HA SER A 49 12.238 -7.731 1.809 1.00 2.11 H new ATOM 0 HB2 SER A 49 13.574 -6.331 0.105 1.00 3.03 H new ATOM 0 HB3 SER A 49 12.347 -5.491 1.033 1.00 3.03 H new ATOM 0 HG SER A 49 14.367 -4.340 1.002 1.00 3.81 H new ATOM 736 N GLU A 50 14.081 -9.206 0.986 1.00 1.92 N ATOM 737 CA GLU A 50 15.102 -10.199 0.672 1.00 2.27 C ATOM 738 C GLU A 50 15.381 -10.218 -0.825 1.00 2.09 C ATOM 739 O GLU A 50 16.507 -9.974 -1.260 1.00 2.74 O ATOM 740 CB GLU A 50 14.648 -11.582 1.131 1.00 3.06 C ATOM 741 CG GLU A 50 14.609 -11.685 2.653 1.00 3.83 C ATOM 742 CD GLU A 50 13.196 -11.435 3.164 1.00 4.43 C ATOM 743 OE1 GLU A 50 12.350 -10.967 2.373 1.00 4.75 O ATOM 744 OE2 GLU A 50 12.938 -11.705 4.356 1.00 4.97 O ATOM 0 H GLU A 50 13.179 -9.375 0.540 1.00 1.92 H new ATOM 0 HA GLU A 50 16.019 -9.931 1.198 1.00 2.27 H new ATOM 0 HB2 GLU A 50 13.658 -11.793 0.726 1.00 3.06 H new ATOM 0 HB3 GLU A 50 15.324 -12.338 0.732 1.00 3.06 H new ATOM 0 HG2 GLU A 50 14.947 -12.673 2.966 1.00 3.83 H new ATOM 0 HG3 GLU A 50 15.295 -10.960 3.091 1.00 3.83 H new ATOM 751 N LYS A 51 14.349 -10.509 -1.610 1.00 1.76 N ATOM 752 CA LYS A 51 14.481 -10.561 -3.061 1.00 1.77 C ATOM 753 C LYS A 51 13.236 -9.993 -3.729 1.00 1.55 C ATOM 754 O LYS A 51 13.324 -9.096 -4.567 1.00 2.20 O ATOM 755 CB LYS A 51 14.703 -12.000 -3.514 1.00 2.14 C ATOM 756 CG LYS A 51 15.839 -12.101 -4.527 1.00 2.60 C ATOM 757 CD LYS A 51 15.889 -13.479 -5.179 1.00 3.36 C ATOM 758 CE LYS A 51 16.494 -14.521 -4.244 1.00 4.12 C ATOM 759 NZ LYS A 51 16.845 -15.769 -4.976 1.00 4.81 N ATOM 0 H LYS A 51 13.411 -10.713 -1.265 1.00 1.76 H new ATOM 0 HA LYS A 51 15.341 -9.958 -3.354 1.00 1.77 H new ATOM 0 HB2 LYS A 51 14.930 -12.623 -2.649 1.00 2.14 H new ATOM 0 HB3 LYS A 51 13.785 -12.389 -3.956 1.00 2.14 H new ATOM 0 HG2 LYS A 51 15.711 -11.339 -5.295 1.00 2.60 H new ATOM 0 HG3 LYS A 51 16.788 -11.898 -4.031 1.00 2.60 H new ATOM 0 HD2 LYS A 51 14.882 -13.785 -5.462 1.00 3.36 H new ATOM 0 HD3 LYS A 51 16.476 -13.427 -6.096 1.00 3.36 H new ATOM 0 HE2 LYS A 51 17.386 -14.112 -3.770 1.00 4.12 H new ATOM 0 HE3 LYS A 51 15.787 -14.751 -3.447 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 17.254 -16.457 -4.312 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 15.988 -16.171 -5.408 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 17.538 -15.552 -5.720 1.00 4.81 H new ATOM 773 N SER A 52 12.076 -10.520 -3.351 1.00 1.19 N ATOM 774 CA SER A 52 10.809 -10.066 -3.911 1.00 1.04 C ATOM 775 C SER A 52 9.942 -9.442 -2.826 1.00 0.92 C ATOM 776 O SER A 52 9.539 -10.115 -1.877 1.00 1.19 O ATOM 777 CB SER A 52 10.073 -11.238 -4.554 1.00 1.25 C ATOM 778 OG SER A 52 10.894 -11.872 -5.522 1.00 2.03 O ATOM 0 H SER A 52 11.988 -11.263 -2.658 1.00 1.19 H new ATOM 0 HA SER A 52 11.014 -9.312 -4.671 1.00 1.04 H new ATOM 0 HB2 SER A 52 9.783 -11.957 -3.788 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.155 -10.885 -5.023 1.00 1.25 H new ATOM 0 HG SER A 52 10.407 -12.622 -5.923 1.00 2.03 H new ATOM 784 N ASN A 53 9.657 -8.153 -2.970 1.00 0.68 N ATOM 785 CA ASN A 53 8.838 -7.438 -2.001 1.00 0.61 C ATOM 786 C ASN A 53 7.364 -7.559 -2.362 1.00 0.59 C ATOM 787 O ASN A 53 7.016 -8.005 -3.455 1.00 0.99 O ATOM 788 CB ASN A 53 9.244 -5.967 -1.956 1.00 0.60 C ATOM 789 CG ASN A 53 9.978 -5.654 -0.655 1.00 0.89 C ATOM 790 OD1 ASN A 53 10.268 -6.549 0.139 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.279 -4.379 -0.437 1.00 1.28 N ATOM 0 H ASN A 53 9.982 -7.582 -3.750 1.00 0.68 H new ATOM 0 HA ASN A 53 8.996 -7.881 -1.018 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.885 -5.734 -2.807 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.359 -5.337 -2.042 1.00 0.60 H new ATOM 0 HD21 ASN A 53 10.770 -4.109 0.416 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.020 -3.669 -1.122 1.00 1.28 H new ATOM 798 N LEU A 54 6.504 -7.161 -1.435 1.00 0.55 N ATOM 799 CA LEU A 54 5.064 -7.224 -1.648 1.00 0.51 C ATOM 800 C LEU A 54 4.332 -6.394 -0.603 1.00 0.44 C ATOM 801 O LEU A 54 4.132 -6.840 0.527 1.00 0.57 O ATOM 802 CB LEU A 54 4.589 -8.673 -1.579 1.00 0.65 C ATOM 803 CG LEU A 54 3.870 -9.091 -2.857 1.00 0.82 C ATOM 804 CD1 LEU A 54 4.449 -10.393 -3.401 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.369 -9.227 -2.613 1.00 1.49 C ATOM 0 H LEU A 54 6.779 -6.790 -0.526 1.00 0.55 H new ATOM 0 HA LEU A 54 4.843 -6.818 -2.635 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.443 -9.329 -1.411 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.920 -8.797 -0.728 1.00 0.65 H new ATOM 0 HG LEU A 54 4.024 -8.312 -3.604 1.00 0.82 H new ATOM 0 HD11 LEU A 54 3.921 -10.673 -4.313 1.00 1.49 H new ATOM 0 HD12 LEU A 54 5.508 -10.256 -3.622 1.00 1.49 H new ATOM 0 HD13 LEU A 54 4.332 -11.182 -2.658 1.00 1.49 H new ATOM 0 HD21 LEU A 54 1.876 -9.526 -3.538 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.192 -9.982 -1.847 1.00 1.49 H new ATOM 0 HD23 LEU A 54 1.966 -8.270 -2.280 1.00 1.49 H new ATOM 817 N ILE A 55 3.930 -5.185 -0.982 1.00 0.31 N ATOM 818 CA ILE A 55 3.216 -4.303 -0.068 1.00 0.26 C ATOM 819 C ILE A 55 1.774 -4.764 0.087 1.00 0.27 C ATOM 820 O ILE A 55 1.115 -5.111 -0.892 1.00 0.34 O ATOM 821 CB ILE A 55 3.255 -2.868 -0.577 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.697 -2.421 -0.804 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.553 -1.929 0.398 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.765 -1.017 -1.399 1.00 0.35 C ATOM 0 H ILE A 55 4.086 -4.796 -1.912 1.00 0.31 H new ATOM 0 HA ILE A 55 3.705 -4.341 0.905 1.00 0.26 H new ATOM 0 HB ILE A 55 2.726 -2.829 -1.529 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.238 -2.442 0.142 1.00 0.31 H new ATOM 0 HG13 ILE A 55 5.195 -3.124 -1.472 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.593 -0.910 0.014 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.513 -2.233 0.511 1.00 0.31 H new ATOM 0 HG23 ILE A 55 3.051 -1.972 1.367 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.807 -0.734 -1.546 1.00 0.35 H new ATOM 0 HD12 ILE A 55 4.246 -1.003 -2.358 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.290 -0.310 -0.719 1.00 0.35 H new ATOM 836 N ARG A 56 1.295 -4.776 1.323 1.00 0.29 N ATOM 837 CA ARG A 56 -0.067 -5.206 1.610 1.00 0.32 C ATOM 838 C ARG A 56 -1.018 -4.021 1.658 1.00 0.29 C ATOM 839 O ARG A 56 -0.854 -3.111 2.469 1.00 0.42 O ATOM 840 CB ARG A 56 -0.105 -5.954 2.937 1.00 0.42 C ATOM 841 CG ARG A 56 0.366 -7.395 2.777 1.00 0.55 C ATOM 842 CD ARG A 56 1.540 -7.707 3.698 1.00 0.84 C ATOM 843 NE ARG A 56 1.671 -9.146 3.885 1.00 1.44 N ATOM 844 CZ ARG A 56 1.020 -9.786 4.851 1.00 1.77 C ATOM 845 NH1 ARG A 56 -0.254 -10.115 4.689 1.00 2.33 N ATOM 846 NH2 ARG A 56 1.643 -10.096 5.979 1.00 2.19 N ATOM 0 H ARG A 56 1.830 -4.493 2.144 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.390 -5.870 0.808 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.526 -5.442 3.663 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.120 -5.943 3.333 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.458 -8.074 2.995 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.658 -7.570 1.742 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.460 -7.304 3.274 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.393 -7.221 4.662 1.00 0.84 H new ATOM 0 HE ARG A 56 2.278 -9.676 3.259 1.00 1.44 H new ATOM 0 HH11 ARG A 56 -0.736 -9.877 3.822 1.00 2.33 H new ATOM 0 HH12 ARG A 56 -0.752 -10.606 5.431 1.00 2.33 H new ATOM 0 HH21 ARG A 56 2.623 -9.843 6.106 1.00 2.19 H new ATOM 0 HH22 ARG A 56 1.142 -10.587 6.720 1.00 2.19 H new ATOM 860 N ILE A 57 -2.022 -4.047 0.791 1.00 0.24 N ATOM 861 CA ILE A 57 -3.017 -2.982 0.734 1.00 0.24 C ATOM 862 C ILE A 57 -4.409 -3.563 0.930 1.00 0.26 C ATOM 863 O ILE A 57 -4.792 -4.516 0.250 1.00 0.40 O ATOM 864 CB ILE A 57 -2.944 -2.264 -0.609 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.507 -1.863 -0.931 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.855 -1.041 -0.618 1.00 0.35 C ATOM 867 CD1 ILE A 57 -0.919 -0.959 0.148 1.00 1.32 C ATOM 0 H ILE A 57 -2.170 -4.796 0.115 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.810 -2.266 1.530 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.288 -2.953 -1.380 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -0.893 -2.758 -1.030 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.479 -1.349 -1.892 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.787 -0.544 -1.586 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -4.884 -1.353 -0.442 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.545 -0.351 0.167 1.00 0.35 H new ATOM 0 HD11 ILE A 57 0.105 -0.695 -0.117 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.518 -0.052 0.229 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -0.923 -1.483 1.104 1.00 1.32 H new ATOM 879 N GLU A 58 -5.165 -2.995 1.863 1.00 0.23 N ATOM 880 CA GLU A 58 -6.514 -3.476 2.136 1.00 0.25 C ATOM 881 C GLU A 58 -7.421 -2.334 2.560 1.00 0.24 C ATOM 882 O GLU A 58 -7.041 -1.478 3.357 1.00 0.26 O ATOM 883 CB GLU A 58 -6.476 -4.547 3.224 1.00 0.32 C ATOM 884 CG GLU A 58 -7.878 -5.015 3.606 1.00 0.37 C ATOM 885 CD GLU A 58 -8.129 -4.774 5.089 1.00 0.82 C ATOM 886 OE1 GLU A 58 -8.186 -3.595 5.499 1.00 1.47 O ATOM 887 OE2 GLU A 58 -8.268 -5.764 5.837 1.00 1.56 O ATOM 0 H GLU A 58 -4.870 -2.207 2.439 1.00 0.23 H new ATOM 0 HA GLU A 58 -6.916 -3.909 1.220 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -5.891 -5.398 2.876 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -5.971 -4.152 4.106 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.621 -4.482 3.013 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -7.990 -6.075 3.379 1.00 0.37 H new ATOM 894 N GLY A 59 -8.628 -2.338 2.012 1.00 0.25 N ATOM 895 CA GLY A 59 -9.622 -1.321 2.306 1.00 0.27 C ATOM 896 C GLY A 59 -11.008 -1.927 2.199 1.00 0.39 C ATOM 897 O GLY A 59 -11.194 -3.109 2.489 1.00 0.59 O ATOM 0 H GLY A 59 -8.944 -3.048 1.351 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.464 -0.921 3.308 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.523 -0.488 1.611 1.00 0.27 H new ATOM 901 N ASP A 60 -11.984 -1.135 1.781 1.00 0.53 N ATOM 902 CA ASP A 60 -13.332 -1.638 1.649 1.00 0.70 C ATOM 903 C ASP A 60 -13.921 -1.318 0.281 1.00 0.59 C ATOM 904 O ASP A 60 -14.293 -2.227 -0.462 1.00 1.04 O ATOM 905 CB ASP A 60 -14.203 -1.062 2.748 1.00 1.22 C ATOM 906 CG ASP A 60 -14.876 -2.175 3.539 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.574 -3.007 2.921 1.00 2.31 O ATOM 908 OD2 ASP A 60 -14.705 -2.216 4.776 1.00 2.66 O ATOM 0 H ASP A 60 -11.865 -0.153 1.531 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.299 -2.723 1.744 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.597 -0.449 3.416 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -14.960 -0.408 2.314 1.00 1.22 H new ATOM 913 N PRO A 61 -14.022 -0.027 -0.086 1.00 0.72 N ATOM 914 CA PRO A 61 -14.575 0.365 -1.377 1.00 1.14 C ATOM 915 C PRO A 61 -13.504 0.400 -2.458 1.00 0.88 C ATOM 916 O PRO A 61 -12.390 -0.082 -2.254 1.00 1.22 O ATOM 917 CB PRO A 61 -15.134 1.756 -1.105 1.00 1.82 C ATOM 918 CG PRO A 61 -14.346 2.297 0.052 1.00 1.82 C ATOM 919 CD PRO A 61 -13.613 1.149 0.701 1.00 1.17 C ATOM 0 HA PRO A 61 -15.325 -0.334 -1.748 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.031 2.396 -1.981 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.197 1.710 -0.867 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.640 3.054 -0.290 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -15.008 2.780 0.770 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.533 1.295 0.668 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -13.888 1.042 1.750 1.00 1.17 H new ATOM 927 N GLN A 62 -13.837 0.987 -3.600 1.00 0.64 N ATOM 928 CA GLN A 62 -12.889 1.096 -4.700 1.00 0.47 C ATOM 929 C GLN A 62 -11.596 1.745 -4.212 1.00 0.41 C ATOM 930 O GLN A 62 -10.536 1.562 -4.806 1.00 0.47 O ATOM 931 CB GLN A 62 -13.491 1.922 -5.833 1.00 0.69 C ATOM 932 CG GLN A 62 -14.610 1.168 -6.545 1.00 0.85 C ATOM 933 CD GLN A 62 -15.543 2.145 -7.249 1.00 1.34 C ATOM 934 OE1 GLN A 62 -15.141 3.250 -7.613 1.00 2.14 O ATOM 935 NE2 GLN A 62 -16.792 1.738 -7.441 1.00 1.73 N ATOM 0 H GLN A 62 -14.753 1.394 -3.788 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.666 0.096 -5.073 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -13.879 2.859 -5.434 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.712 2.180 -6.550 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.185 0.474 -7.270 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.172 0.573 -5.825 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -17.082 0.813 -7.123 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -17.462 2.350 -7.907 1.00 1.73 H new ATOM 944 N GLY A 63 -11.696 2.510 -3.128 1.00 0.37 N ATOM 945 CA GLY A 63 -10.545 3.194 -2.555 1.00 0.34 C ATOM 946 C GLY A 63 -9.341 2.268 -2.420 1.00 0.27 C ATOM 947 O GLY A 63 -8.213 2.673 -2.704 1.00 0.29 O ATOM 0 H GLY A 63 -12.570 2.671 -2.627 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.280 4.045 -3.182 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.810 3.590 -1.575 1.00 0.34 H new ATOM 951 N VAL A 64 -9.566 1.032 -1.974 1.00 0.24 N ATOM 952 CA VAL A 64 -8.465 0.090 -1.802 1.00 0.21 C ATOM 953 C VAL A 64 -7.790 -0.212 -3.137 1.00 0.24 C ATOM 954 O VAL A 64 -6.564 -0.297 -3.213 1.00 0.28 O ATOM 955 CB VAL A 64 -8.929 -1.209 -1.127 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.686 -2.124 -2.083 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.715 -1.938 -0.562 1.00 0.26 C ATOM 0 H VAL A 64 -10.486 0.666 -1.729 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.735 0.563 -1.145 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.620 -0.942 -0.328 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -9.992 -3.028 -1.556 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.569 -1.607 -2.459 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.039 -2.392 -2.919 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.037 -2.862 -0.081 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.022 -2.172 -1.370 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.217 -1.302 0.170 1.00 0.26 H new ATOM 967 N GLN A 65 -8.588 -0.371 -4.188 1.00 0.25 N ATOM 968 CA GLN A 65 -8.048 -0.660 -5.511 1.00 0.30 C ATOM 969 C GLN A 65 -7.501 0.612 -6.148 1.00 0.30 C ATOM 970 O GLN A 65 -6.605 0.560 -6.991 1.00 0.34 O ATOM 971 CB GLN A 65 -9.123 -1.278 -6.402 1.00 0.37 C ATOM 972 CG GLN A 65 -10.250 -0.295 -6.702 1.00 0.42 C ATOM 973 CD GLN A 65 -10.975 -0.697 -7.979 1.00 0.78 C ATOM 974 OE1 GLN A 65 -11.178 -1.882 -8.243 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.367 0.292 -8.774 1.00 0.82 N ATOM 0 H GLN A 65 -9.605 -0.305 -4.150 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.233 -1.376 -5.404 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -8.672 -1.609 -7.337 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -9.533 -2.163 -5.915 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -10.952 -0.271 -5.869 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -9.846 0.712 -6.807 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.177 1.260 -8.515 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -11.858 0.083 -9.643 1.00 0.82 H new ATOM 984 N GLN A 66 -8.039 1.755 -5.733 1.00 0.29 N ATOM 985 CA GLN A 66 -7.599 3.043 -6.252 1.00 0.31 C ATOM 986 C GLN A 66 -6.226 3.385 -5.693 1.00 0.29 C ATOM 987 O GLN A 66 -5.275 3.603 -6.443 1.00 0.36 O ATOM 988 CB GLN A 66 -8.602 4.130 -5.876 1.00 0.35 C ATOM 989 CG GLN A 66 -9.285 4.716 -7.109 1.00 0.79 C ATOM 990 CD GLN A 66 -10.793 4.773 -6.902 1.00 1.10 C ATOM 991 OE1 GLN A 66 -11.565 4.361 -7.767 1.00 2.03 O ATOM 992 NE2 GLN A 66 -11.213 5.285 -5.751 1.00 1.31 N ATOM 0 H GLN A 66 -8.782 1.814 -5.037 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.535 2.984 -7.339 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.354 3.715 -5.205 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.092 4.924 -5.330 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -8.900 5.717 -7.305 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -9.054 4.109 -7.984 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -10.537 5.615 -5.062 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -12.212 5.349 -5.556 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.124 3.415 -4.366 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.861 3.713 -3.704 1.00 0.27 C ATOM 1003 C ALA A 67 -3.816 2.683 -4.105 1.00 0.26 C ATOM 1004 O ALA A 67 -2.639 3.004 -4.271 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.048 3.705 -2.189 1.00 0.29 C ATOM 0 H ALA A 67 -6.902 3.236 -3.730 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.523 4.703 -4.010 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.098 3.929 -1.704 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.785 4.458 -1.909 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.395 2.722 -1.870 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.264 1.443 -4.274 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.382 0.355 -4.671 1.00 0.28 C ATOM 1013 C LYS A 68 -2.678 0.713 -5.974 1.00 0.31 C ATOM 1014 O LYS A 68 -1.498 1.062 -5.978 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.194 -0.926 -4.844 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.343 -2.079 -5.370 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.106 -2.915 -6.394 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.160 -3.705 -7.292 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.883 -4.301 -8.450 1.00 0.88 N ATOM 0 H LYS A 68 -5.237 1.168 -4.141 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.631 0.196 -3.897 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.634 -1.208 -3.887 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.019 -0.742 -5.532 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.435 -1.684 -5.825 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.034 -2.713 -4.539 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -4.776 -3.602 -5.877 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.729 -2.262 -7.006 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.367 -3.050 -7.654 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -2.682 -4.495 -6.714 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.213 -4.832 -9.042 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.623 -4.944 -8.103 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.319 -3.544 -9.014 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.413 0.630 -7.079 1.00 0.36 N ATOM 1034 CA ARG A 69 -2.867 0.953 -8.391 1.00 0.43 C ATOM 1035 C ARG A 69 -2.206 2.324 -8.363 1.00 0.42 C ATOM 1036 O ARG A 69 -1.152 2.530 -8.965 1.00 0.46 O ATOM 1037 CB ARG A 69 -3.976 0.937 -9.438 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.238 -0.471 -9.964 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.959 -0.442 -11.310 1.00 1.36 C ATOM 1040 NE ARG A 69 -6.397 -0.592 -11.119 1.00 1.81 N ATOM 1041 CZ ARG A 69 -7.272 -0.077 -11.979 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -7.674 1.179 -11.847 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -7.747 -0.820 -12.970 1.00 2.98 N ATOM 0 H ARG A 69 -4.391 0.341 -7.091 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.119 0.204 -8.651 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -4.891 1.339 -9.004 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -3.703 1.590 -10.267 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.292 -1.003 -10.068 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -4.837 -1.025 -9.241 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -4.750 0.497 -11.822 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -4.585 -1.243 -11.948 1.00 1.36 H new ATOM 0 HE ARG A 69 -6.740 -1.104 -10.306 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -7.313 1.753 -11.085 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -8.345 1.572 -12.507 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -7.442 -1.788 -13.074 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -8.418 -0.424 -13.628 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.831 3.261 -7.655 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.305 4.616 -7.542 1.00 0.43 C ATOM 1059 C GLU A 70 -0.861 4.585 -7.063 1.00 0.44 C ATOM 1060 O GLU A 70 -0.043 5.409 -7.470 1.00 0.56 O ATOM 1061 CB GLU A 70 -3.158 5.427 -6.570 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.615 6.841 -6.392 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.071 7.732 -7.540 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -4.094 7.404 -8.177 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -2.405 8.756 -7.800 1.00 1.38 O ATOM 0 H GLU A 70 -3.704 3.105 -7.151 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.338 5.087 -8.525 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.183 5.474 -6.937 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -3.188 4.924 -5.604 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.960 7.253 -5.444 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.526 6.817 -6.352 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.552 3.625 -6.196 1.00 0.40 N ATOM 1073 CA LEU A 71 0.795 3.481 -5.661 1.00 0.47 C ATOM 1074 C LEU A 71 1.715 2.863 -6.707 1.00 0.52 C ATOM 1075 O LEU A 71 2.806 3.368 -6.969 1.00 0.60 O ATOM 1076 CB LEU A 71 0.772 2.608 -4.410 1.00 0.51 C ATOM 1077 CG LEU A 71 0.112 3.326 -3.236 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.739 2.357 -2.421 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.161 3.995 -2.354 1.00 1.15 C ATOM 0 H LEU A 71 -1.219 2.935 -5.850 1.00 0.40 H new ATOM 0 HA LEU A 71 1.173 4.469 -5.398 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.234 1.684 -4.621 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.791 2.330 -4.141 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.542 4.101 -3.635 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.200 2.889 -1.589 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.516 1.933 -3.056 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.109 1.556 -2.035 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.669 4.501 -1.523 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.845 3.240 -1.965 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.720 4.723 -2.942 1.00 1.15 H new ATOM 1091 N LEU A 72 1.266 1.767 -7.306 1.00 0.52 N ATOM 1092 CA LEU A 72 2.049 1.082 -8.327 1.00 0.63 C ATOM 1093 C LEU A 72 2.505 2.061 -9.402 1.00 0.67 C ATOM 1094 O LEU A 72 3.500 1.823 -10.088 1.00 0.83 O ATOM 1095 CB LEU A 72 1.218 -0.029 -8.964 1.00 0.66 C ATOM 1096 CG LEU A 72 1.095 -1.242 -8.045 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.331 -1.782 -8.058 1.00 1.99 C ATOM 1098 CD2 LEU A 72 2.088 -2.328 -8.450 1.00 1.04 C ATOM 0 H LEU A 72 0.365 1.334 -7.103 1.00 0.52 H new ATOM 0 HA LEU A 72 2.929 0.649 -7.852 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.224 0.350 -9.200 1.00 0.66 H new ATOM 0 HB3 LEU A 72 1.676 -0.331 -9.906 1.00 0.66 H new ATOM 0 HG LEU A 72 1.332 -0.927 -7.029 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.399 -2.646 -7.397 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -1.017 -1.007 -7.714 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -0.598 -2.079 -9.072 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.984 -3.183 -7.783 1.00 1.04 H new ATOM 0 HD22 LEU A 72 1.887 -2.641 -9.475 1.00 1.04 H new ATOM 0 HD23 LEU A 72 3.103 -1.936 -8.382 1.00 1.04 H new ATOM 1110 N GLU A 73 1.766 3.157 -9.555 1.00 0.64 N ATOM 1111 CA GLU A 73 2.090 4.163 -10.557 1.00 0.74 C ATOM 1112 C GLU A 73 2.612 5.444 -9.913 1.00 0.71 C ATOM 1113 O GLU A 73 3.819 5.676 -9.861 1.00 0.88 O ATOM 1114 CB GLU A 73 0.849 4.474 -11.386 1.00 0.82 C ATOM 1115 CG GLU A 73 0.766 3.592 -12.628 1.00 1.00 C ATOM 1116 CD GLU A 73 0.015 4.311 -13.740 1.00 1.41 C ATOM 1117 OE1 GLU A 73 0.610 5.202 -14.382 1.00 2.01 O ATOM 1118 OE2 GLU A 73 -1.168 3.983 -13.968 1.00 2.05 O ATOM 0 H GLU A 73 0.939 3.369 -8.997 1.00 0.64 H new ATOM 0 HA GLU A 73 2.876 3.764 -11.198 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.042 4.328 -10.776 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.864 5.522 -11.684 1.00 0.82 H new ATOM 0 HG2 GLU A 73 1.770 3.334 -12.966 1.00 1.00 H new ATOM 0 HG3 GLU A 73 0.261 2.657 -12.385 1.00 1.00 H new ATOM 1125 N LEU A 74 1.692 6.283 -9.443 1.00 0.64 N ATOM 1126 CA LEU A 74 2.053 7.557 -8.824 1.00 0.71 C ATOM 1127 C LEU A 74 2.568 7.379 -7.396 1.00 0.82 C ATOM 1128 O LEU A 74 2.885 8.362 -6.726 1.00 1.13 O ATOM 1129 CB LEU A 74 0.842 8.485 -8.812 1.00 0.85 C ATOM 1130 CG LEU A 74 0.222 8.623 -10.199 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -1.298 8.711 -10.104 1.00 1.19 C ATOM 1132 CD2 LEU A 74 0.787 9.842 -10.923 1.00 1.32 C ATOM 0 H LEU A 74 0.689 6.103 -9.479 1.00 0.64 H new ATOM 0 HA LEU A 74 2.858 7.991 -9.417 1.00 0.71 H new ATOM 0 HB2 LEU A 74 0.096 8.100 -8.117 1.00 0.85 H new ATOM 0 HB3 LEU A 74 1.141 9.468 -8.448 1.00 0.85 H new ATOM 0 HG LEU A 74 0.477 7.734 -10.776 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.720 8.809 -11.104 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -1.686 7.808 -9.633 1.00 1.19 H new ATOM 0 HD13 LEU A 74 -1.576 9.579 -9.506 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.332 9.922 -11.910 1.00 1.32 H new ATOM 0 HD22 LEU A 74 0.567 10.741 -10.348 1.00 1.32 H new ATOM 0 HD23 LEU A 74 1.866 9.734 -11.029 1.00 1.32 H new ATOM 1144 N ALA A 75 2.654 6.139 -6.923 1.00 0.78 N ATOM 1145 CA ALA A 75 3.134 5.879 -5.569 1.00 0.99 C ATOM 1146 C ALA A 75 2.226 6.551 -4.546 1.00 1.70 C ATOM 1147 O ALA A 75 1.080 6.886 -4.846 1.00 2.16 O ATOM 1148 CB ALA A 75 4.561 6.399 -5.415 1.00 1.14 C ATOM 0 H ALA A 75 2.400 5.305 -7.452 1.00 0.78 H new ATOM 0 HA ALA A 75 3.123 4.803 -5.395 1.00 0.99 H new ATOM 0 HB1 ALA A 75 4.913 6.202 -4.402 1.00 1.14 H new ATOM 0 HB2 ALA A 75 5.211 5.895 -6.130 1.00 1.14 H new ATOM 0 HB3 ALA A 75 4.579 7.473 -5.603 1.00 1.14 H new