USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot -170:sc= 0.435 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.0282 K(o=0.46,f=-4!) USER MOD Single : A 1 MET CE :methyl 174:sc= -0.141 (180deg=-0.17) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.3 (180deg=1.24) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -65:sc= 0.41 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= 1.25 (180deg=-0.162) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -77:sc=0.000453 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 1.21 (180deg=0.51) USER MOD Single : A 29 LYS NZ :NH3+ 139:sc= 1.25 (180deg=0.858) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00289) USER MOD Single : A 40 GLN : amide:sc= -1.2 K(o=-1.2,f=-4.5!) USER MOD Single : A 41 GLN : amide:sc= 0.0593 K(o=0.059,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= -0.0641 (180deg=-0.344) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 55 THR OG1 : rot -49:sc= 0.371 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.858 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 62 GLN : amide:sc= -0.0266 X(o=-0.027,f=-0.0041) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 92:sc= 1.13 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.542 X(o=-0.54,f=-0.087) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.389 3.376 -3.093 1.00 9.67 N ATOM 2 CA MET A 1 -11.170 4.093 -1.816 1.00 10.38 C ATOM 3 C MET A 1 -9.821 4.709 -1.962 1.00 9.62 C ATOM 4 O MET A 1 -8.852 4.243 -2.559 1.00 9.62 O ATOM 5 CB MET A 1 -11.248 3.269 -0.520 1.00 13.77 C ATOM 6 CG MET A 1 -10.329 2.046 -0.506 1.00 16.29 C ATOM 7 SD MET A 1 -10.466 1.027 0.994 1.00 17.17 S ATOM 8 CE MET A 1 -8.990 0.063 0.557 1.00 16.11 C ATOM 0 H1 MET A 1 -12.327 2.926 -3.082 1.00 9.67 H new ATOM 0 H2 MET A 1 -11.338 4.050 -3.883 1.00 9.67 H new ATOM 0 H3 MET A 1 -10.657 2.647 -3.212 1.00 9.67 H new ATOM 0 HA MET A 1 -11.991 4.797 -1.680 1.00 10.38 H new ATOM 0 HB2 MET A 1 -10.994 3.911 0.323 1.00 13.77 H new ATOM 0 HB3 MET A 1 -12.277 2.940 -0.372 1.00 13.77 H new ATOM 0 HG2 MET A 1 -10.554 1.427 -1.374 1.00 16.29 H new ATOM 0 HG3 MET A 1 -9.297 2.380 -0.612 1.00 16.29 H new ATOM 0 HE1 MET A 1 -8.741 -0.613 1.375 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.188 -0.517 -0.345 1.00 16.11 H new ATOM 0 HE3 MET A 1 -8.154 0.739 0.378 1.00 16.11 H new ATOM 20 N GLN A 2 -9.719 5.874 -1.298 1.00 9.27 N ATOM 21 CA GLN A 2 -8.550 6.693 -1.201 1.00 9.07 C ATOM 22 C GLN A 2 -7.872 6.261 0.054 1.00 8.72 C ATOM 23 O GLN A 2 -8.465 6.131 1.124 1.00 8.22 O ATOM 24 CB GLN A 2 -8.938 8.167 -0.999 1.00 14.46 C ATOM 25 CG GLN A 2 -7.732 9.092 -1.171 1.00 17.01 C ATOM 26 CD GLN A 2 -8.154 10.539 -1.382 1.00 20.10 C ATOM 27 OE1 GLN A 2 -8.143 10.997 -2.524 1.00 21.89 O ATOM 28 NE2 GLN A 2 -8.732 11.139 -0.307 1.00 19.49 N ATOM 0 H GLN A 2 -10.511 6.271 -0.793 1.00 9.27 H new ATOM 0 HA GLN A 2 -7.940 6.597 -2.099 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.714 8.442 -1.714 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.361 8.300 -0.003 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -7.094 9.024 -0.290 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -7.137 8.759 -2.022 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -8.696 10.690 0.608 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -9.202 12.038 -0.416 1.00 19.49 H new ATOM 37 N ILE A 3 -6.595 5.847 -0.022 1.00 5.87 N ATOM 38 CA ILE A 3 -5.828 5.621 1.164 1.00 5.07 C ATOM 39 C ILE A 3 -4.692 6.585 1.121 1.00 4.01 C ATOM 40 O ILE A 3 -4.460 7.331 0.171 1.00 4.61 O ATOM 41 CB ILE A 3 -5.387 4.201 1.360 1.00 6.55 C ATOM 42 CG1 ILE A 3 -4.402 3.687 0.296 1.00 4.72 C ATOM 43 CG2 ILE A 3 -6.581 3.238 1.460 1.00 5.58 C ATOM 44 CD1 ILE A 3 -3.692 2.438 0.817 1.00 10.83 C ATOM 0 H ILE A 3 -6.097 5.670 -0.895 1.00 5.87 H new ATOM 0 HA ILE A 3 -6.454 5.792 2.040 1.00 5.07 H new ATOM 0 HB ILE A 3 -4.848 4.218 2.307 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -4.935 3.457 -0.627 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -3.672 4.460 0.058 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.217 2.220 1.601 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.206 3.521 2.307 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.168 3.289 0.543 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -2.994 2.075 0.062 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.146 2.683 1.728 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -4.429 1.664 1.033 1.00 10.83 H new ATOM 56 N PHE A 4 -3.970 6.766 2.241 1.00 4.55 N ATOM 57 CA PHE A 4 -2.897 7.687 2.453 1.00 4.68 C ATOM 58 C PHE A 4 -1.583 7.061 2.769 1.00 5.30 C ATOM 59 O PHE A 4 -1.335 6.599 3.882 1.00 5.58 O ATOM 60 CB PHE A 4 -3.231 8.674 3.584 1.00 4.83 C ATOM 61 CG PHE A 4 -4.377 9.571 3.267 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.530 10.174 2.040 1.00 6.69 C ATOM 63 CD2 PHE A 4 -5.416 9.625 4.166 1.00 8.34 C ATOM 64 CE1 PHE A 4 -5.654 10.911 1.750 1.00 9.10 C ATOM 65 CE2 PHE A 4 -6.556 10.342 3.892 1.00 10.61 C ATOM 66 CZ PHE A 4 -6.687 10.935 2.658 1.00 8.90 C ATOM 0 H PHE A 4 -4.158 6.213 3.077 1.00 4.55 H new ATOM 0 HA PHE A 4 -2.795 8.194 1.494 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.458 8.113 4.490 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.352 9.282 3.797 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -3.756 10.067 1.294 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -5.335 9.095 5.103 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -5.725 11.462 0.824 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -7.336 10.438 4.633 1.00 10.61 H new ATOM 0 HZ PHE A 4 -7.613 11.426 2.398 1.00 8.90 H new ATOM 76 N VAL A 5 -0.658 6.951 1.799 1.00 4.44 N ATOM 77 CA VAL A 5 0.491 6.099 1.830 1.00 3.87 C ATOM 78 C VAL A 5 1.700 6.910 2.149 1.00 4.93 C ATOM 79 O VAL A 5 2.250 7.584 1.279 1.00 6.84 O ATOM 80 CB VAL A 5 0.803 5.404 0.538 1.00 2.99 C ATOM 81 CG1 VAL A 5 2.030 4.483 0.650 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.404 4.507 0.213 1.00 9.13 C ATOM 0 H VAL A 5 -0.717 7.493 0.937 1.00 4.44 H new ATOM 0 HA VAL A 5 0.249 5.343 2.578 1.00 3.87 H new ATOM 0 HB VAL A 5 1.008 6.159 -0.221 1.00 2.99 H new ATOM 0 HG11 VAL A 5 2.214 4.003 -0.311 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.902 5.072 0.935 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.845 3.720 1.406 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.223 3.978 -0.723 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.547 3.784 1.016 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.299 5.122 0.115 1.00 9.13 H new ATOM 92 N LYS A 6 2.170 6.747 3.398 1.00 6.04 N ATOM 93 CA LYS A 6 3.218 7.541 3.960 1.00 6.12 C ATOM 94 C LYS A 6 4.523 6.825 3.899 1.00 6.57 C ATOM 95 O LYS A 6 4.618 5.616 4.106 1.00 5.76 O ATOM 96 CB LYS A 6 2.901 8.011 5.389 1.00 7.45 C ATOM 97 CG LYS A 6 1.546 8.718 5.457 1.00 11.12 C ATOM 98 CD LYS A 6 1.151 9.422 6.757 1.00 14.54 C ATOM 99 CE LYS A 6 2.018 10.608 7.184 1.00 18.84 C ATOM 100 NZ LYS A 6 1.347 11.278 8.320 1.00 20.55 N ATOM 0 H LYS A 6 1.809 6.040 4.038 1.00 6.04 H new ATOM 0 HA LYS A 6 3.296 8.441 3.349 1.00 6.12 H new ATOM 0 HB2 LYS A 6 2.900 7.155 6.063 1.00 7.45 H new ATOM 0 HB3 LYS A 6 3.684 8.687 5.733 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.519 9.459 4.658 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.776 7.980 5.233 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.123 9.770 6.657 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.162 8.685 7.560 1.00 14.54 H new ATOM 0 HE2 LYS A 6 3.012 10.268 7.475 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.149 11.303 6.355 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.918 12.090 8.630 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.407 11.609 8.022 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.244 10.606 9.107 1.00 20.55 H new ATOM 114 N THR A 7 5.563 7.540 3.434 1.00 7.41 N ATOM 115 CA THR A 7 6.908 7.090 3.247 1.00 7.48 C ATOM 116 C THR A 7 7.813 7.462 4.371 1.00 8.75 C ATOM 117 O THR A 7 7.387 8.016 5.383 1.00 8.58 O ATOM 118 CB THR A 7 7.496 7.553 1.947 1.00 9.61 C ATOM 119 OG1 THR A 7 7.672 8.954 1.794 1.00 11.78 O ATOM 120 CG2 THR A 7 6.575 7.163 0.779 1.00 9.17 C ATOM 0 H THR A 7 5.451 8.518 3.166 1.00 7.41 H new ATOM 0 HA THR A 7 6.834 6.003 3.224 1.00 7.48 H new ATOM 0 HB THR A 7 8.475 7.074 1.948 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.797 9.396 1.796 1.00 11.78 H new ATOM 0 HG21 THR A 7 7.013 7.505 -0.159 1.00 9.17 H new ATOM 0 HG22 THR A 7 6.460 6.079 0.753 1.00 9.17 H new ATOM 0 HG23 THR A 7 5.599 7.628 0.915 1.00 9.17 H new ATOM 128 N LEU A 8 9.117 7.140 4.308 1.00 9.84 N ATOM 129 CA LEU A 8 9.931 7.177 5.484 1.00 14.15 C ATOM 130 C LEU A 8 10.434 8.552 5.761 1.00 17.37 C ATOM 131 O LEU A 8 10.561 8.979 6.908 1.00 17.01 O ATOM 132 CB LEU A 8 11.216 6.346 5.333 1.00 16.63 C ATOM 133 CG LEU A 8 10.957 4.835 5.459 1.00 18.88 C ATOM 134 CD1 LEU A 8 12.211 4.101 4.956 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.338 4.399 6.798 1.00 19.31 C ATOM 0 H LEU A 8 9.603 6.858 3.457 1.00 9.84 H new ATOM 0 HA LEU A 8 9.282 6.794 6.272 1.00 14.15 H new ATOM 0 HB2 LEU A 8 11.668 6.554 4.363 1.00 16.63 H new ATOM 0 HB3 LEU A 8 11.935 6.653 6.093 1.00 16.63 H new ATOM 0 HG LEU A 8 10.139 4.523 4.810 1.00 18.88 H new ATOM 0 HD11 LEU A 8 12.058 3.025 5.033 1.00 18.59 H new ATOM 0 HD12 LEU A 8 12.396 4.368 3.915 1.00 18.59 H new ATOM 0 HD13 LEU A 8 13.069 4.390 5.563 1.00 18.59 H new ATOM 0 HD21 LEU A 8 10.191 3.319 6.796 1.00 19.31 H new ATOM 0 HD22 LEU A 8 11.006 4.673 7.614 1.00 19.31 H new ATOM 0 HD23 LEU A 8 9.377 4.896 6.934 1.00 19.31 H new ATOM 147 N THR A 9 10.705 9.347 4.711 1.00 18.33 N ATOM 148 CA THR A 9 11.248 10.669 4.757 1.00 19.24 C ATOM 149 C THR A 9 10.194 11.715 4.877 1.00 19.48 C ATOM 150 O THR A 9 10.167 12.363 5.922 1.00 23.14 O ATOM 151 CB THR A 9 12.100 10.884 3.541 1.00 18.97 C ATOM 152 OG1 THR A 9 11.556 10.597 2.261 1.00 20.24 O ATOM 153 CG2 THR A 9 13.363 10.010 3.627 1.00 19.70 C ATOM 0 H THR A 9 10.530 9.039 3.754 1.00 18.33 H new ATOM 0 HA THR A 9 11.860 10.762 5.654 1.00 19.24 H new ATOM 0 HB THR A 9 12.253 11.962 3.582 1.00 18.97 H new ATOM 0 HG1 THR A 9 12.225 10.787 1.571 1.00 20.24 H new ATOM 0 HG21 THR A 9 13.978 10.171 2.741 1.00 19.70 H new ATOM 0 HG22 THR A 9 13.932 10.279 4.517 1.00 19.70 H new ATOM 0 HG23 THR A 9 13.076 8.960 3.684 1.00 19.70 H new ATOM 161 N GLY A 10 9.327 11.936 3.873 1.00 19.43 N ATOM 162 CA GLY A 10 8.429 13.041 4.007 1.00 18.74 C ATOM 163 C GLY A 10 7.566 13.135 2.797 1.00 17.62 C ATOM 164 O GLY A 10 7.357 14.235 2.286 1.00 19.74 O ATOM 0 H GLY A 10 9.246 11.387 3.017 1.00 19.43 H new ATOM 0 HA2 GLY A 10 7.812 12.915 4.897 1.00 18.74 H new ATOM 0 HA3 GLY A 10 8.991 13.966 4.137 1.00 18.74 H new ATOM 168 N LYS A 11 6.946 12.032 2.342 1.00 13.56 N ATOM 169 CA LYS A 11 6.056 12.138 1.227 1.00 11.91 C ATOM 170 C LYS A 11 4.864 11.322 1.590 1.00 10.18 C ATOM 171 O LYS A 11 4.881 10.115 1.830 1.00 9.10 O ATOM 172 CB LYS A 11 6.643 11.586 -0.083 1.00 13.43 C ATOM 173 CG LYS A 11 5.719 12.081 -1.197 1.00 16.69 C ATOM 174 CD LYS A 11 6.113 11.666 -2.616 1.00 17.92 C ATOM 175 CE LYS A 11 6.464 12.850 -3.519 1.00 20.81 C ATOM 176 NZ LYS A 11 6.723 12.337 -4.883 1.00 21.93 N ATOM 0 H LYS A 11 7.054 11.095 2.730 1.00 13.56 H new ATOM 0 HA LYS A 11 5.838 13.190 1.043 1.00 11.91 H new ATOM 0 HB2 LYS A 11 7.662 11.941 -0.234 1.00 13.43 H new ATOM 0 HB3 LYS A 11 6.684 10.497 -0.064 1.00 13.43 H new ATOM 0 HG2 LYS A 11 4.711 11.716 -0.998 1.00 16.69 H new ATOM 0 HG3 LYS A 11 5.678 13.169 -1.154 1.00 16.69 H new ATOM 0 HD2 LYS A 11 6.967 10.991 -2.565 1.00 17.92 H new ATOM 0 HD3 LYS A 11 5.292 11.107 -3.065 1.00 17.92 H new ATOM 0 HE2 LYS A 11 5.647 13.571 -3.534 1.00 20.81 H new ATOM 0 HE3 LYS A 11 7.342 13.371 -3.137 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 6.514 13.081 -5.579 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 7.721 12.057 -4.965 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 6.116 11.512 -5.065 1.00 21.93 H new ATOM 190 N THR A 12 3.722 12.031 1.637 1.00 9.63 N ATOM 191 CA THR A 12 2.396 11.496 1.630 1.00 9.85 C ATOM 192 C THR A 12 1.844 11.401 0.249 1.00 11.66 C ATOM 193 O THR A 12 1.453 12.338 -0.447 1.00 12.33 O ATOM 194 CB THR A 12 1.425 12.254 2.486 1.00 10.85 C ATOM 195 OG1 THR A 12 1.879 12.176 3.830 1.00 10.91 O ATOM 196 CG2 THR A 12 0.011 11.670 2.326 1.00 9.63 C ATOM 0 H THR A 12 3.727 13.050 1.683 1.00 9.63 H new ATOM 0 HA THR A 12 2.506 10.500 2.059 1.00 9.85 H new ATOM 0 HB THR A 12 1.372 13.300 2.184 1.00 10.85 H new ATOM 0 HG1 THR A 12 1.262 12.666 4.413 1.00 10.91 H new ATOM 0 HG21 THR A 12 -0.686 12.228 2.952 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.298 11.745 1.283 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.013 10.623 2.629 1.00 9.63 H new ATOM 204 N ILE A 13 1.789 10.135 -0.201 1.00 10.42 N ATOM 205 CA ILE A 13 1.314 9.726 -1.486 1.00 11.84 C ATOM 206 C ILE A 13 -0.153 9.512 -1.341 1.00 10.55 C ATOM 207 O ILE A 13 -0.575 8.612 -0.615 1.00 11.92 O ATOM 208 CB ILE A 13 1.934 8.475 -2.034 1.00 14.86 C ATOM 209 CG1 ILE A 13 3.471 8.481 -2.086 1.00 14.87 C ATOM 210 CG2 ILE A 13 1.359 8.182 -3.430 1.00 17.08 C ATOM 211 CD1 ILE A 13 4.112 7.118 -1.827 1.00 16.46 C ATOM 0 H ILE A 13 2.096 9.347 0.370 1.00 10.42 H new ATOM 0 HA ILE A 13 1.584 10.506 -2.198 1.00 11.84 H new ATOM 0 HB ILE A 13 1.675 7.684 -1.330 1.00 14.86 H new ATOM 0 HG12 ILE A 13 3.789 8.839 -3.065 1.00 14.87 H new ATOM 0 HG13 ILE A 13 3.845 9.192 -1.350 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.811 7.273 -3.826 1.00 17.08 H new ATOM 0 HG22 ILE A 13 0.279 8.049 -3.358 1.00 17.08 H new ATOM 0 HG23 ILE A 13 1.578 9.016 -4.096 1.00 17.08 H new ATOM 0 HD11 ILE A 13 5.197 7.210 -1.882 1.00 16.46 H new ATOM 0 HD12 ILE A 13 3.827 6.764 -0.836 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.770 6.406 -2.578 1.00 16.46 H new ATOM 223 N THR A 14 -0.969 10.330 -2.030 1.00 9.39 N ATOM 224 CA THR A 14 -2.392 10.214 -1.964 1.00 9.63 C ATOM 225 C THR A 14 -2.879 9.364 -3.086 1.00 11.20 C ATOM 226 O THR A 14 -2.552 9.600 -4.248 1.00 11.63 O ATOM 227 CB THR A 14 -3.189 11.477 -1.827 1.00 10.38 C ATOM 228 OG1 THR A 14 -2.835 12.140 -0.622 1.00 16.30 O ATOM 229 CG2 THR A 14 -4.685 11.149 -1.690 1.00 11.66 C ATOM 0 H THR A 14 -0.638 11.079 -2.639 1.00 9.39 H new ATOM 0 HA THR A 14 -2.578 9.735 -1.003 1.00 9.63 H new ATOM 0 HB THR A 14 -2.989 12.089 -2.707 1.00 10.38 H new ATOM 0 HG1 THR A 14 -3.261 11.689 0.137 1.00 16.30 H new ATOM 0 HG21 THR A 14 -5.253 12.074 -1.591 1.00 11.66 H new ATOM 0 HG22 THR A 14 -5.022 10.609 -2.575 1.00 11.66 H new ATOM 0 HG23 THR A 14 -4.842 10.531 -0.806 1.00 11.66 H new ATOM 237 N LEU A 15 -3.642 8.281 -2.853 1.00 8.29 N ATOM 238 CA LEU A 15 -3.730 7.203 -3.789 1.00 9.03 C ATOM 239 C LEU A 15 -4.991 6.413 -3.730 1.00 8.59 C ATOM 240 O LEU A 15 -5.502 5.996 -2.692 1.00 7.79 O ATOM 241 CB LEU A 15 -2.669 6.138 -3.463 1.00 11.08 C ATOM 242 CG LEU A 15 -2.391 4.972 -4.426 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.433 5.368 -5.562 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.771 3.799 -3.649 1.00 15.88 C ATOM 0 H LEU A 15 -4.202 8.152 -2.010 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.628 7.702 -4.753 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -1.725 6.663 -3.317 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -2.942 5.700 -2.503 1.00 11.08 H new ATOM 0 HG LEU A 15 -3.345 4.687 -4.869 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.268 4.511 -6.215 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.869 6.184 -6.138 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -0.481 5.690 -5.140 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.574 2.973 -4.333 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -0.836 4.120 -3.190 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.462 3.471 -2.873 1.00 15.88 H new ATOM 256 N GLU A 16 -5.559 6.109 -4.911 1.00 11.04 N ATOM 257 CA GLU A 16 -6.769 5.427 -5.252 1.00 11.50 C ATOM 258 C GLU A 16 -6.682 3.953 -5.452 1.00 10.13 C ATOM 259 O GLU A 16 -6.287 3.550 -6.545 1.00 9.83 O ATOM 260 CB GLU A 16 -7.449 6.189 -6.402 1.00 17.22 C ATOM 261 CG GLU A 16 -8.859 5.712 -6.758 1.00 23.33 C ATOM 262 CD GLU A 16 -9.602 6.806 -7.511 1.00 26.99 C ATOM 263 OE1 GLU A 16 -9.560 8.019 -7.175 1.00 28.86 O ATOM 264 OE2 GLU A 16 -10.254 6.475 -8.538 1.00 28.90 O ATOM 0 H GLU A 16 -5.081 6.394 -5.766 1.00 11.04 H new ATOM 0 HA GLU A 16 -7.405 5.450 -4.367 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -7.496 7.246 -6.138 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -6.821 6.110 -7.290 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -8.804 4.811 -7.369 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.403 5.449 -5.851 1.00 23.33 H new ATOM 271 N VAL A 17 -7.015 3.133 -4.439 1.00 8.99 N ATOM 272 CA VAL A 17 -7.015 1.703 -4.436 1.00 8.85 C ATOM 273 C VAL A 17 -8.393 1.152 -4.303 1.00 8.04 C ATOM 274 O VAL A 17 -9.306 1.693 -3.680 1.00 8.99 O ATOM 275 CB VAL A 17 -6.134 1.094 -3.386 1.00 9.78 C ATOM 276 CG1 VAL A 17 -4.708 1.503 -3.793 1.00 12.05 C ATOM 277 CG2 VAL A 17 -6.577 1.554 -1.987 1.00 10.54 C ATOM 0 H VAL A 17 -7.312 3.509 -3.538 1.00 8.99 H new ATOM 0 HA VAL A 17 -6.600 1.427 -5.405 1.00 8.85 H new ATOM 0 HB VAL A 17 -6.192 0.007 -3.325 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -3.994 1.098 -3.075 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -4.486 1.111 -4.786 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -4.631 2.590 -3.807 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -5.929 1.105 -1.234 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -6.509 2.640 -1.923 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -7.607 1.244 -1.811 1.00 10.54 H new ATOM 287 N GLU A 18 -8.625 -0.045 -4.871 1.00 7.29 N ATOM 288 CA GLU A 18 -9.866 -0.748 -4.781 1.00 7.08 C ATOM 289 C GLU A 18 -9.876 -1.578 -3.543 1.00 6.45 C ATOM 290 O GLU A 18 -8.747 -1.886 -3.165 1.00 5.28 O ATOM 291 CB GLU A 18 -10.221 -1.651 -5.974 1.00 10.28 C ATOM 292 CG GLU A 18 -10.203 -0.857 -7.283 1.00 12.65 C ATOM 293 CD GLU A 18 -11.629 -0.547 -7.714 1.00 14.15 C ATOM 294 OE1 GLU A 18 -12.109 0.492 -7.188 1.00 18.17 O ATOM 295 OE2 GLU A 18 -12.271 -1.252 -8.538 1.00 14.33 O ATOM 0 H GLU A 18 -7.920 -0.542 -5.414 1.00 7.29 H new ATOM 0 HA GLU A 18 -10.624 0.035 -4.771 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -9.512 -2.476 -6.035 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -11.208 -2.089 -5.823 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -9.643 0.069 -7.150 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -9.694 -1.428 -8.059 1.00 12.65 H new ATOM 302 N PRO A 19 -10.964 -1.910 -2.915 1.00 7.24 N ATOM 303 CA PRO A 19 -10.848 -2.825 -1.817 1.00 7.07 C ATOM 304 C PRO A 19 -10.548 -4.218 -2.251 1.00 6.65 C ATOM 305 O PRO A 19 -9.883 -4.878 -1.453 1.00 6.37 O ATOM 306 CB PRO A 19 -12.114 -2.692 -0.974 1.00 7.61 C ATOM 307 CG PRO A 19 -12.723 -1.341 -1.383 1.00 8.16 C ATOM 308 CD PRO A 19 -12.206 -1.157 -2.819 1.00 7.49 C ATOM 0 HA PRO A 19 -9.985 -2.569 -1.202 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.806 -3.512 -1.168 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -11.883 -2.715 0.091 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -13.812 -1.360 -1.344 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -12.395 -0.534 -0.728 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -12.936 -1.520 -3.543 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.037 -0.103 -3.038 1.00 7.49 H new ATOM 316 N SER A 20 -10.907 -4.525 -3.510 1.00 6.80 N ATOM 317 CA SER A 20 -10.461 -5.731 -4.137 1.00 6.28 C ATOM 318 C SER A 20 -9.084 -5.643 -4.700 1.00 8.45 C ATOM 319 O SER A 20 -8.693 -6.664 -5.264 1.00 7.26 O ATOM 320 CB SER A 20 -11.353 -6.247 -5.279 1.00 8.57 C ATOM 321 OG SER A 20 -12.664 -6.519 -4.807 1.00 11.13 O ATOM 0 H SER A 20 -11.505 -3.940 -4.093 1.00 6.80 H new ATOM 0 HA SER A 20 -10.501 -6.427 -3.299 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.395 -5.506 -6.078 1.00 8.57 H new ATOM 0 HB3 SER A 20 -10.920 -7.152 -5.706 1.00 8.57 H new ATOM 0 HG SER A 20 -13.217 -6.844 -5.547 1.00 11.13 H new ATOM 327 N ASP A 21 -8.289 -4.563 -4.604 1.00 7.50 N ATOM 328 CA ASP A 21 -6.894 -4.697 -4.891 1.00 7.70 C ATOM 329 C ASP A 21 -6.199 -5.449 -3.809 1.00 7.08 C ATOM 330 O ASP A 21 -6.510 -5.349 -2.623 1.00 8.11 O ATOM 331 CB ASP A 21 -6.231 -3.324 -5.090 1.00 11.00 C ATOM 332 CG ASP A 21 -6.639 -2.594 -6.362 1.00 15.32 C ATOM 333 OD1 ASP A 21 -6.867 -3.205 -7.440 1.00 14.36 O ATOM 334 OD2 ASP A 21 -6.740 -1.348 -6.208 1.00 18.03 O ATOM 0 H ASP A 21 -8.596 -3.628 -4.337 1.00 7.50 H new ATOM 0 HA ASP A 21 -6.804 -5.259 -5.821 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -6.471 -2.693 -4.234 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.149 -3.456 -5.095 1.00 11.00 H new ATOM 339 N THR A 22 -5.142 -6.203 -4.161 1.00 5.37 N ATOM 340 CA THR A 22 -4.374 -6.918 -3.189 1.00 6.01 C ATOM 341 C THR A 22 -3.346 -6.013 -2.603 1.00 8.01 C ATOM 342 O THR A 22 -3.108 -4.944 -3.162 1.00 8.11 O ATOM 343 CB THR A 22 -3.712 -8.137 -3.761 1.00 8.92 C ATOM 344 OG1 THR A 22 -2.752 -7.865 -4.771 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.754 -9.097 -4.360 1.00 9.65 C ATOM 0 H THR A 22 -4.818 -6.318 -5.122 1.00 5.37 H new ATOM 0 HA THR A 22 -5.062 -7.260 -2.416 1.00 6.01 H new ATOM 0 HB THR A 22 -3.191 -8.584 -2.914 1.00 8.92 H new ATOM 0 HG1 THR A 22 -2.483 -8.704 -5.201 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.250 -9.973 -4.768 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.451 -9.409 -3.582 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.301 -8.590 -5.155 1.00 9.65 H new ATOM 353 N ILE A 23 -2.587 -6.416 -1.568 1.00 8.32 N ATOM 354 CA ILE A 23 -1.429 -5.722 -1.096 1.00 9.92 C ATOM 355 C ILE A 23 -0.346 -5.672 -2.117 1.00 10.01 C ATOM 356 O ILE A 23 0.478 -4.763 -2.216 1.00 8.71 O ATOM 357 CB ILE A 23 -0.889 -6.416 0.120 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.757 -6.040 1.332 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.565 -6.200 0.570 1.00 10.90 C ATOM 360 CD1 ILE A 23 -1.841 -4.631 1.917 1.00 12.30 C ATOM 0 H ILE A 23 -2.790 -7.263 -1.037 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.738 -4.702 -0.867 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.915 -7.454 -0.212 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.777 -6.325 1.076 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.440 -6.690 2.147 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.760 -6.788 1.467 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.242 -6.514 -0.224 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.726 -5.144 0.787 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -2.522 -4.630 2.768 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -0.851 -4.313 2.244 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -2.210 -3.943 1.156 1.00 12.30 H new ATOM 372 N GLU A 24 -0.322 -6.599 -3.091 1.00 9.54 N ATOM 373 CA GLU A 24 0.597 -6.657 -4.185 1.00 11.81 C ATOM 374 C GLU A 24 0.164 -5.716 -5.257 1.00 11.14 C ATOM 375 O GLU A 24 1.004 -5.012 -5.814 1.00 10.62 O ATOM 376 CB GLU A 24 0.591 -8.056 -4.824 1.00 19.24 C ATOM 377 CG GLU A 24 1.730 -8.504 -5.742 1.00 27.76 C ATOM 378 CD GLU A 24 1.680 -9.970 -6.146 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.573 -10.511 -6.410 1.00 34.80 O ATOM 380 OE2 GLU A 24 2.727 -10.672 -6.158 1.00 36.51 O ATOM 0 H GLU A 24 -0.996 -7.364 -3.114 1.00 9.54 H new ATOM 0 HA GLU A 24 1.584 -6.407 -3.796 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.532 -8.779 -4.011 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.333 -8.143 -5.395 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.714 -7.892 -6.644 1.00 27.76 H new ATOM 0 HG3 GLU A 24 2.679 -8.311 -5.242 1.00 27.76 H new ATOM 387 N ASN A 25 -1.145 -5.566 -5.529 1.00 9.43 N ATOM 388 CA ASN A 25 -1.652 -4.684 -6.535 1.00 10.96 C ATOM 389 C ASN A 25 -1.564 -3.254 -6.128 1.00 9.68 C ATOM 390 O ASN A 25 -1.201 -2.374 -6.908 1.00 9.33 O ATOM 391 CB ASN A 25 -3.178 -4.780 -6.696 1.00 16.78 C ATOM 392 CG ASN A 25 -3.555 -6.100 -7.352 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.513 -6.793 -7.011 1.00 25.66 O ATOM 394 ND2 ASN A 25 -2.859 -6.422 -8.476 1.00 24.70 N ATOM 0 H ASN A 25 -1.875 -6.076 -5.032 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.070 -4.967 -7.412 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.660 -4.699 -5.722 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.540 -3.949 -7.301 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -3.132 -7.233 -9.030 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -2.064 -5.852 -8.764 1.00 24.70 H new ATOM 401 N VAL A 26 -1.757 -2.975 -4.827 1.00 6.52 N ATOM 402 CA VAL A 26 -1.430 -1.799 -4.082 1.00 5.53 C ATOM 403 C VAL A 26 -0.056 -1.289 -4.345 1.00 4.42 C ATOM 404 O VAL A 26 0.063 -0.175 -4.853 1.00 3.40 O ATOM 405 CB VAL A 26 -1.918 -1.715 -2.666 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.457 -0.400 -2.014 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.452 -1.764 -2.759 1.00 8.12 C ATOM 0 H VAL A 26 -2.200 -3.667 -4.223 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.085 -1.046 -4.520 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.524 -2.525 -2.052 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.820 -0.356 -0.987 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.368 -0.355 -2.016 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.856 0.444 -2.576 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.879 -1.707 -1.758 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.808 -0.923 -3.354 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.758 -2.697 -3.231 1.00 8.12 H new ATOM 417 N LYS A 27 1.006 -2.074 -4.089 1.00 2.64 N ATOM 418 CA LYS A 27 2.395 -1.863 -4.356 1.00 4.14 C ATOM 419 C LYS A 27 2.692 -1.700 -5.807 1.00 5.58 C ATOM 420 O LYS A 27 3.526 -0.867 -6.160 1.00 4.11 O ATOM 421 CB LYS A 27 3.281 -2.987 -3.793 1.00 3.97 C ATOM 422 CG LYS A 27 3.355 -2.955 -2.265 1.00 7.45 C ATOM 423 CD LYS A 27 4.387 -3.953 -1.737 1.00 9.02 C ATOM 424 CE LYS A 27 3.802 -5.259 -1.195 1.00 12.90 C ATOM 425 NZ LYS A 27 4.751 -6.369 -0.956 1.00 15.47 N ATOM 0 H LYS A 27 0.866 -2.976 -3.634 1.00 2.64 H new ATOM 0 HA LYS A 27 2.633 -0.930 -3.845 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.890 -3.952 -4.116 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.286 -2.896 -4.206 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.615 -1.950 -1.932 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.375 -3.186 -1.847 1.00 7.45 H new ATOM 0 HD2 LYS A 27 5.085 -4.190 -2.540 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.963 -3.474 -0.945 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.294 -5.039 -0.256 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.042 -5.607 -1.895 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.302 -7.085 -0.350 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.016 -6.801 -1.864 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.603 -6.002 -0.485 1.00 15.47 H new ATOM 439 N ALA A 28 1.934 -2.323 -6.727 1.00 6.61 N ATOM 440 CA ALA A 28 1.847 -2.043 -8.126 1.00 7.74 C ATOM 441 C ALA A 28 1.424 -0.676 -8.542 1.00 9.17 C ATOM 442 O ALA A 28 1.861 0.074 -9.414 1.00 11.45 O ATOM 443 CB ALA A 28 1.057 -3.168 -8.816 1.00 7.68 C ATOM 0 H ALA A 28 1.324 -3.097 -6.463 1.00 6.61 H new ATOM 0 HA ALA A 28 2.879 -2.029 -8.478 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.987 -2.961 -9.884 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.569 -4.118 -8.664 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.055 -3.223 -8.390 1.00 7.68 H new ATOM 449 N LYS A 29 0.399 -0.213 -7.804 1.00 8.96 N ATOM 450 CA LYS A 29 -0.217 1.062 -8.001 1.00 7.90 C ATOM 451 C LYS A 29 0.630 2.171 -7.480 1.00 6.92 C ATOM 452 O LYS A 29 0.617 3.247 -8.076 1.00 6.87 O ATOM 453 CB LYS A 29 -1.643 1.058 -7.423 1.00 10.28 C ATOM 454 CG LYS A 29 -2.625 2.057 -8.037 1.00 14.94 C ATOM 455 CD LYS A 29 -4.081 1.687 -7.744 1.00 19.69 C ATOM 456 CE LYS A 29 -4.705 0.566 -8.576 1.00 22.63 C ATOM 457 NZ LYS A 29 -6.138 0.377 -8.259 1.00 24.98 N ATOM 0 H LYS A 29 -0.016 -0.747 -7.041 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.307 1.248 -9.071 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -2.057 0.056 -7.539 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.579 1.255 -6.353 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.419 3.054 -7.647 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.472 2.099 -9.115 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.152 1.406 -6.693 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.689 2.582 -7.876 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.595 0.796 -9.636 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -4.167 -0.364 -8.394 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.669 0.212 -9.138 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -6.249 -0.442 -7.628 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -6.505 1.229 -7.788 1.00 24.98 H new ATOM 471 N ILE A 30 1.326 1.910 -6.359 1.00 4.57 N ATOM 472 CA ILE A 30 2.353 2.792 -5.896 1.00 5.58 C ATOM 473 C ILE A 30 3.527 2.907 -6.807 1.00 7.26 C ATOM 474 O ILE A 30 4.057 3.983 -7.078 1.00 9.46 O ATOM 475 CB ILE A 30 2.770 2.368 -4.519 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.537 2.345 -3.601 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.928 3.247 -4.020 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.666 1.475 -2.351 1.00 2.00 C ATOM 0 H ILE A 30 1.178 1.088 -5.773 1.00 4.57 H new ATOM 0 HA ILE A 30 1.928 3.796 -5.875 1.00 5.58 H new ATOM 0 HB ILE A 30 3.165 1.352 -4.523 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.317 3.367 -3.291 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.681 1.996 -4.179 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.221 2.929 -3.020 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.777 3.148 -4.696 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.608 4.288 -3.990 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.743 1.529 -1.773 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.851 0.442 -2.644 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.496 1.833 -1.742 1.00 2.00 H new ATOM 490 N GLN A 31 3.921 1.733 -7.330 1.00 7.06 N ATOM 491 CA GLN A 31 4.938 1.526 -8.314 1.00 8.67 C ATOM 492 C GLN A 31 4.834 2.380 -9.531 1.00 10.90 C ATOM 493 O GLN A 31 5.748 3.068 -9.983 1.00 9.63 O ATOM 494 CB GLN A 31 5.036 0.031 -8.660 1.00 9.12 C ATOM 495 CG GLN A 31 6.051 -0.387 -9.727 1.00 10.76 C ATOM 496 CD GLN A 31 5.880 -1.836 -10.160 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.516 -2.600 -9.268 1.00 14.48 O ATOM 498 NE2 GLN A 31 6.088 -2.201 -11.454 1.00 14.76 N ATOM 0 H GLN A 31 3.491 0.855 -7.039 1.00 7.06 H new ATOM 0 HA GLN A 31 5.870 1.857 -7.855 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.270 -0.511 -7.744 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.051 -0.303 -8.985 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.948 0.263 -10.596 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.060 -0.244 -9.340 1.00 10.76 H new ATOM 0 HE21 GLN A 31 6.390 -1.507 -12.137 1.00 14.76 H new ATOM 0 HE22 GLN A 31 5.941 -3.169 -11.741 1.00 14.76 H new ATOM 507 N ASP A 32 3.672 2.258 -10.198 1.00 10.93 N ATOM 508 CA ASP A 32 3.115 3.053 -11.248 1.00 14.01 C ATOM 509 C ASP A 32 3.152 4.522 -11.001 1.00 14.04 C ATOM 510 O ASP A 32 3.801 5.218 -11.779 1.00 13.39 O ATOM 511 CB ASP A 32 1.656 2.640 -11.502 1.00 18.01 C ATOM 512 CG ASP A 32 1.047 3.239 -12.762 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.621 3.068 -13.870 1.00 25.17 O ATOM 514 OD2 ASP A 32 -0.045 3.869 -12.743 1.00 26.29 O ATOM 0 H ASP A 32 3.039 1.493 -9.963 1.00 10.93 H new ATOM 0 HA ASP A 32 3.746 2.863 -12.116 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.604 1.553 -11.569 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.052 2.936 -10.644 1.00 18.01 H new ATOM 519 N LYS A 33 2.496 5.022 -9.938 1.00 14.22 N ATOM 520 CA LYS A 33 2.267 6.418 -9.731 1.00 14.00 C ATOM 521 C LYS A 33 3.563 7.119 -9.509 1.00 12.37 C ATOM 522 O LYS A 33 3.903 8.096 -10.174 1.00 12.17 O ATOM 523 CB LYS A 33 1.389 6.642 -8.488 1.00 18.62 C ATOM 524 CG LYS A 33 1.189 8.109 -8.103 1.00 24.00 C ATOM 525 CD LYS A 33 -0.041 8.499 -7.281 1.00 27.61 C ATOM 526 CE LYS A 33 0.023 9.886 -6.638 1.00 27.64 C ATOM 527 NZ LYS A 33 0.113 10.930 -7.683 1.00 30.06 N ATOM 0 H LYS A 33 2.112 4.434 -9.198 1.00 14.22 H new ATOM 0 HA LYS A 33 1.767 6.811 -10.616 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.413 6.190 -8.663 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.837 6.117 -7.644 1.00 18.62 H new ATOM 0 HG2 LYS A 33 2.071 8.426 -7.546 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.167 8.691 -9.024 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.919 8.454 -7.925 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.184 7.757 -6.495 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.862 10.051 -6.024 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.887 9.948 -5.976 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.122 11.869 -7.236 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.988 10.799 -8.230 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.707 10.857 -8.318 1.00 30.06 H new ATOM 541 N GLU A 34 4.332 6.715 -8.482 1.00 10.11 N ATOM 542 CA GLU A 34 5.601 7.264 -8.115 1.00 10.07 C ATOM 543 C GLU A 34 6.793 6.746 -8.843 1.00 9.32 C ATOM 544 O GLU A 34 7.637 7.541 -9.255 1.00 11.61 O ATOM 545 CB GLU A 34 5.933 7.097 -6.623 1.00 14.77 C ATOM 546 CG GLU A 34 5.040 7.774 -5.582 1.00 18.75 C ATOM 547 CD GLU A 34 4.947 9.269 -5.855 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.940 9.887 -5.386 1.00 25.19 O ATOM 549 OE2 GLU A 34 3.914 9.789 -6.355 1.00 21.95 O ATOM 0 H GLU A 34 4.047 5.953 -7.867 1.00 10.11 H new ATOM 0 HA GLU A 34 5.441 8.305 -8.394 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.940 6.029 -6.405 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.949 7.460 -6.470 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.044 7.331 -5.604 1.00 18.75 H new ATOM 0 HG3 GLU A 34 5.442 7.604 -4.583 1.00 18.75 H new ATOM 556 N GLY A 35 7.044 5.436 -9.018 1.00 7.22 N ATOM 557 CA GLY A 35 8.128 4.797 -9.696 1.00 6.29 C ATOM 558 C GLY A 35 8.877 3.854 -8.818 1.00 6.93 C ATOM 559 O GLY A 35 9.991 3.468 -9.168 1.00 7.41 O ATOM 0 H GLY A 35 6.403 4.742 -8.634 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.743 4.255 -10.560 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.812 5.556 -10.075 1.00 6.29 H new ATOM 563 N ILE A 36 8.416 3.515 -7.601 1.00 5.86 N ATOM 564 CA ILE A 36 9.190 2.917 -6.557 1.00 6.07 C ATOM 565 C ILE A 36 9.187 1.442 -6.765 1.00 6.36 C ATOM 566 O ILE A 36 8.090 0.934 -6.996 1.00 6.18 O ATOM 567 CB ILE A 36 8.596 3.319 -5.240 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.706 4.810 -4.880 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.370 2.582 -4.134 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.662 5.335 -3.895 1.00 9.49 C ATOM 0 H ILE A 36 7.445 3.668 -7.330 1.00 5.86 H new ATOM 0 HA ILE A 36 10.227 3.253 -6.567 1.00 6.07 H new ATOM 0 HB ILE A 36 7.537 3.076 -5.322 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.696 4.991 -4.462 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.636 5.392 -5.799 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.961 2.854 -3.161 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.276 1.506 -4.279 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.422 2.863 -4.177 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.834 6.396 -3.713 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.665 5.196 -4.313 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.741 4.788 -2.955 1.00 9.49 H new ATOM 582 N PRO A 37 10.260 0.709 -6.789 1.00 8.65 N ATOM 583 CA PRO A 37 10.231 -0.643 -7.266 1.00 9.18 C ATOM 584 C PRO A 37 9.674 -1.627 -6.296 1.00 9.85 C ATOM 585 O PRO A 37 9.867 -1.237 -5.145 1.00 8.51 O ATOM 586 CB PRO A 37 11.682 -0.953 -7.630 1.00 11.42 C ATOM 587 CG PRO A 37 12.482 0.336 -7.389 1.00 9.27 C ATOM 588 CD PRO A 37 11.595 1.196 -6.475 1.00 8.33 C ATOM 0 HA PRO A 37 9.553 -0.733 -8.114 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.069 -1.769 -7.019 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.761 -1.269 -8.670 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.441 0.122 -6.918 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.695 0.849 -8.327 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.841 1.057 -5.422 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.701 2.259 -6.690 1.00 8.33 H new ATOM 596 N PRO A 38 9.105 -2.754 -6.605 1.00 8.71 N ATOM 597 CA PRO A 38 8.379 -3.570 -5.676 1.00 9.08 C ATOM 598 C PRO A 38 9.158 -4.281 -4.624 1.00 9.28 C ATOM 599 O PRO A 38 8.684 -4.623 -3.541 1.00 6.50 O ATOM 600 CB PRO A 38 7.609 -4.585 -6.519 1.00 10.31 C ATOM 601 CG PRO A 38 8.286 -4.585 -7.899 1.00 10.81 C ATOM 602 CD PRO A 38 9.044 -3.250 -7.972 1.00 12.00 C ATOM 0 HA PRO A 38 7.757 -2.892 -5.092 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.644 -5.576 -6.066 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.558 -4.309 -6.599 1.00 10.31 H new ATOM 0 HG2 PRO A 38 8.966 -5.431 -8.005 1.00 10.81 H new ATOM 0 HG3 PRO A 38 7.550 -4.665 -8.699 1.00 10.81 H new ATOM 0 HD2 PRO A 38 10.044 -3.390 -8.382 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.529 -2.543 -8.622 1.00 12.00 H new ATOM 610 N ASP A 39 10.450 -4.512 -4.918 1.00 11.20 N ATOM 611 CA ASP A 39 11.493 -5.019 -4.082 1.00 14.96 C ATOM 612 C ASP A 39 12.081 -3.974 -3.197 1.00 13.99 C ATOM 613 O ASP A 39 12.903 -4.258 -2.328 1.00 13.75 O ATOM 614 CB ASP A 39 12.655 -5.679 -4.844 1.00 24.16 C ATOM 615 CG ASP A 39 13.232 -4.669 -5.825 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.516 -4.136 -6.715 1.00 35.55 O ATOM 617 OD2 ASP A 39 14.439 -4.336 -5.679 1.00 34.22 O ATOM 0 H ASP A 39 10.801 -4.319 -5.856 1.00 11.20 H new ATOM 0 HA ASP A 39 10.983 -5.780 -3.492 1.00 14.96 H new ATOM 0 HB2 ASP A 39 13.424 -6.010 -4.147 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.304 -6.564 -5.375 1.00 24.16 H new ATOM 622 N GLN A 40 11.703 -2.692 -3.352 1.00 11.60 N ATOM 623 CA GLN A 40 12.027 -1.642 -2.438 1.00 10.76 C ATOM 624 C GLN A 40 10.947 -1.445 -1.431 1.00 8.01 C ATOM 625 O GLN A 40 11.168 -1.236 -0.239 1.00 8.96 O ATOM 626 CB GLN A 40 12.307 -0.296 -3.128 1.00 11.14 C ATOM 627 CG GLN A 40 12.756 0.716 -2.072 1.00 14.85 C ATOM 628 CD GLN A 40 13.187 2.039 -2.689 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.394 2.858 -3.149 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.528 2.214 -2.837 1.00 18.16 N ATOM 0 H GLN A 40 11.149 -2.375 -4.147 1.00 11.60 H new ATOM 0 HA GLN A 40 12.944 -1.967 -1.947 1.00 10.76 H new ATOM 0 HB2 GLN A 40 13.079 -0.415 -3.889 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.411 0.061 -3.636 1.00 11.14 H new ATOM 0 HG2 GLN A 40 11.940 0.893 -1.371 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.584 0.298 -1.499 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.177 1.528 -2.451 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.884 3.031 -3.333 1.00 18.16 H new ATOM 639 N GLN A 41 9.681 -1.597 -1.860 1.00 6.52 N ATOM 640 CA GLN A 41 8.496 -1.457 -1.073 1.00 3.87 C ATOM 641 C GLN A 41 8.068 -2.449 -0.047 1.00 4.79 C ATOM 642 O GLN A 41 8.172 -3.652 -0.277 1.00 6.34 O ATOM 643 CB GLN A 41 7.300 -1.304 -2.028 1.00 4.20 C ATOM 644 CG GLN A 41 7.460 -0.098 -2.956 1.00 3.20 C ATOM 645 CD GLN A 41 6.191 -0.065 -3.797 1.00 4.89 C ATOM 646 OE1 GLN A 41 5.080 0.047 -3.282 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.405 -0.267 -5.125 1.00 7.13 N ATOM 0 H GLN A 41 9.472 -1.836 -2.830 1.00 6.52 H new ATOM 0 HA GLN A 41 8.797 -0.610 -0.457 1.00 3.87 H new ATOM 0 HB2 GLN A 41 7.194 -2.210 -2.625 1.00 4.20 H new ATOM 0 HB3 GLN A 41 6.384 -1.196 -1.448 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.578 0.824 -2.386 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.345 -0.200 -3.584 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.357 -0.350 -5.481 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.613 -0.335 -5.765 1.00 7.13 H new ATOM 656 N ARG A 42 7.466 -1.957 1.051 1.00 5.73 N ATOM 657 CA ARG A 42 6.936 -2.841 2.042 1.00 6.97 C ATOM 658 C ARG A 42 5.948 -2.095 2.871 1.00 7.15 C ATOM 659 O ARG A 42 6.237 -1.003 3.356 1.00 7.33 O ATOM 660 CB ARG A 42 8.079 -3.374 2.921 1.00 13.23 C ATOM 661 CG ARG A 42 7.510 -4.124 4.127 1.00 21.27 C ATOM 662 CD ARG A 42 8.443 -4.967 4.999 1.00 26.14 C ATOM 663 NE ARG A 42 8.602 -6.096 4.041 1.00 32.26 N ATOM 664 CZ ARG A 42 9.610 -7.012 4.135 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.703 -6.786 4.922 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.506 -8.143 3.378 1.00 36.39 N ATOM 0 H ARG A 42 7.347 -0.964 1.251 1.00 5.73 H new ATOM 0 HA ARG A 42 6.442 -3.687 1.565 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.717 -4.038 2.338 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.704 -2.547 3.259 1.00 13.23 H new ATOM 0 HG2 ARG A 42 7.034 -3.388 4.775 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.722 -4.782 3.760 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.382 -4.466 5.235 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.994 -5.266 5.946 1.00 26.14 H new ATOM 0 HE ARG A 42 7.928 -6.189 3.281 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.778 -5.919 5.454 1.00 35.30 H new ATOM 0 HH12 ARG A 42 11.445 -7.484 4.978 1.00 35.30 H new ATOM 0 HH21 ARG A 42 8.697 -8.278 2.772 1.00 36.39 H new ATOM 0 HH22 ARG A 42 10.237 -8.853 3.419 1.00 36.39 H new ATOM 680 N LEU A 43 4.804 -2.759 3.117 1.00 4.65 N ATOM 681 CA LEU A 43 3.717 -2.054 3.722 1.00 3.51 C ATOM 682 C LEU A 43 3.422 -2.678 5.042 1.00 5.56 C ATOM 683 O LEU A 43 3.048 -3.841 5.188 1.00 4.19 O ATOM 684 CB LEU A 43 2.430 -1.984 2.882 1.00 3.74 C ATOM 685 CG LEU A 43 2.566 -1.416 1.459 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.236 -1.624 0.716 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.871 0.082 1.629 1.00 9.55 C ATOM 0 H LEU A 43 4.634 -3.743 2.908 1.00 4.65 H new ATOM 0 HA LEU A 43 4.045 -1.019 3.821 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.016 -2.990 2.809 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.703 -1.378 3.423 1.00 3.74 H new ATOM 0 HG LEU A 43 3.352 -1.905 0.884 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.318 -1.226 -0.295 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.008 -2.689 0.669 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.438 -1.105 1.247 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.979 0.545 0.648 1.00 9.55 H new ATOM 0 HD22 LEU A 43 2.053 0.561 2.168 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.797 0.203 2.192 1.00 9.55 H new ATOM 699 N ILE A 44 3.619 -1.874 6.102 1.00 4.58 N ATOM 700 CA ILE A 44 3.326 -2.173 7.469 1.00 5.55 C ATOM 701 C ILE A 44 2.183 -1.355 7.963 1.00 5.46 C ATOM 702 O ILE A 44 2.119 -0.170 7.640 1.00 6.04 O ATOM 703 CB ILE A 44 4.576 -1.881 8.245 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.605 -3.012 8.087 1.00 10.31 C ATOM 705 CG2 ILE A 44 4.238 -1.668 9.731 1.00 7.39 C ATOM 706 CD1 ILE A 44 7.001 -2.718 8.636 1.00 13.90 C ATOM 0 H ILE A 44 4.015 -0.940 5.992 1.00 4.58 H new ATOM 0 HA ILE A 44 3.029 -3.215 7.586 1.00 5.55 H new ATOM 0 HB ILE A 44 5.018 -0.968 7.847 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.219 -3.902 8.584 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.694 -3.252 7.028 1.00 10.31 H new ATOM 0 HG21 ILE A 44 5.152 -1.457 10.285 1.00 7.39 H new ATOM 0 HG22 ILE A 44 3.551 -0.828 9.831 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.771 -2.568 10.131 1.00 7.39 H new ATOM 0 HD11 ILE A 44 7.646 -3.582 8.472 1.00 13.90 H new ATOM 0 HD12 ILE A 44 7.418 -1.851 8.124 1.00 13.90 H new ATOM 0 HD13 ILE A 44 6.936 -2.511 9.704 1.00 13.90 H new ATOM 718 N PHE A 45 1.170 -1.897 8.662 1.00 6.75 N ATOM 719 CA PHE A 45 0.057 -1.188 9.212 1.00 4.70 C ATOM 720 C PHE A 45 0.210 -1.442 10.672 1.00 6.34 C ATOM 721 O PHE A 45 0.095 -2.569 11.153 1.00 5.45 O ATOM 722 CB PHE A 45 -1.313 -1.562 8.621 1.00 5.51 C ATOM 723 CG PHE A 45 -2.525 -0.998 9.280 1.00 5.98 C ATOM 724 CD1 PHE A 45 -2.850 0.322 9.075 1.00 6.86 C ATOM 725 CD2 PHE A 45 -3.266 -1.837 10.079 1.00 5.87 C ATOM 726 CE1 PHE A 45 -3.901 0.851 9.786 1.00 6.68 C ATOM 727 CE2 PHE A 45 -4.305 -1.245 10.758 1.00 6.64 C ATOM 728 CZ PHE A 45 -4.630 0.088 10.667 1.00 6.84 C ATOM 0 H PHE A 45 1.127 -2.898 8.855 1.00 6.75 H new ATOM 0 HA PHE A 45 0.068 -0.126 8.966 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.324 -1.253 7.576 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.399 -2.649 8.633 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.294 0.927 8.374 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.046 -2.891 10.167 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.160 1.891 9.649 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -4.905 -1.868 11.405 1.00 6.64 H new ATOM 0 HZ PHE A 45 -5.423 0.517 11.262 1.00 6.84 H new ATOM 738 N ALA A 46 0.388 -0.352 11.439 1.00 6.53 N ATOM 739 CA ALA A 46 0.630 -0.240 12.844 1.00 7.15 C ATOM 740 C ALA A 46 1.860 -0.870 13.402 1.00 9.00 C ATOM 741 O ALA A 46 2.714 -0.156 13.925 1.00 11.15 O ATOM 742 CB ALA A 46 -0.519 -0.723 13.744 1.00 8.99 C ATOM 0 H ALA A 46 0.357 0.573 11.011 1.00 6.53 H new ATOM 0 HA ALA A 46 0.751 0.843 12.874 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.239 -0.597 14.790 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.415 -0.139 13.535 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -0.718 -1.776 13.546 1.00 8.99 H new ATOM 748 N GLY A 47 2.002 -2.204 13.312 1.00 9.35 N ATOM 749 CA GLY A 47 3.180 -2.843 13.810 1.00 11.68 C ATOM 750 C GLY A 47 3.588 -4.094 13.109 1.00 11.14 C ATOM 751 O GLY A 47 4.392 -4.866 13.628 1.00 13.93 O ATOM 0 H GLY A 47 1.312 -2.833 12.901 1.00 9.35 H new ATOM 0 HA2 GLY A 47 4.006 -2.133 13.756 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.027 -3.074 14.864 1.00 11.68 H new ATOM 755 N LYS A 48 2.948 -4.455 11.983 1.00 10.47 N ATOM 756 CA LYS A 48 3.375 -5.631 11.290 1.00 8.82 C ATOM 757 C LYS A 48 2.987 -5.425 9.866 1.00 7.68 C ATOM 758 O LYS A 48 1.994 -4.815 9.473 1.00 6.47 O ATOM 759 CB LYS A 48 2.824 -6.924 11.915 1.00 9.74 C ATOM 760 CG LYS A 48 1.334 -6.831 12.250 1.00 14.14 C ATOM 761 CD LYS A 48 0.749 -8.119 12.834 1.00 16.32 C ATOM 762 CE LYS A 48 -0.753 -7.979 13.088 1.00 20.04 C ATOM 763 NZ LYS A 48 -1.499 -7.694 11.842 1.00 23.92 N ATOM 0 H LYS A 48 2.164 -3.955 11.564 1.00 10.47 H new ATOM 0 HA LYS A 48 4.453 -5.772 11.366 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.986 -7.753 11.226 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.383 -7.150 12.823 1.00 9.74 H new ATOM 0 HG2 LYS A 48 1.181 -6.019 12.961 1.00 14.14 H new ATOM 0 HG3 LYS A 48 0.784 -6.571 11.346 1.00 14.14 H new ATOM 0 HD2 LYS A 48 0.929 -8.947 12.148 1.00 16.32 H new ATOM 0 HD3 LYS A 48 1.257 -8.362 13.767 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.133 -8.897 13.536 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -0.927 -7.178 13.806 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -2.514 -7.856 12.000 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -1.346 -6.704 11.564 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -1.162 -8.322 11.084 1.00 23.92 H new ATOM 777 N GLN A 49 3.761 -6.140 9.030 1.00 8.89 N ATOM 778 CA GLN A 49 3.748 -6.228 7.603 1.00 7.18 C ATOM 779 C GLN A 49 2.521 -6.872 7.055 1.00 8.23 C ATOM 780 O GLN A 49 1.897 -7.676 7.745 1.00 9.70 O ATOM 781 CB GLN A 49 4.916 -7.068 7.060 1.00 11.67 C ATOM 782 CG GLN A 49 4.887 -8.571 7.348 1.00 15.82 C ATOM 783 CD GLN A 49 6.280 -9.111 7.058 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.792 -8.946 5.952 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.878 -9.883 8.005 1.00 20.67 N ATOM 0 H GLN A 49 4.495 -6.736 9.413 1.00 8.89 H new ATOM 0 HA GLN A 49 3.810 -5.186 7.288 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.957 -6.931 5.979 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.842 -6.663 7.468 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.610 -8.759 8.385 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.144 -9.068 6.724 1.00 15.82 H new ATOM 0 HE21 GLN A 49 6.436 -10.007 8.916 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.768 -10.338 7.804 1.00 20.67 H new ATOM 794 N LEU A 50 2.111 -6.478 5.836 1.00 6.51 N ATOM 795 CA LEU A 50 0.911 -6.857 5.157 1.00 7.41 C ATOM 796 C LEU A 50 1.353 -7.675 3.993 1.00 8.27 C ATOM 797 O LEU A 50 2.294 -7.334 3.278 1.00 8.34 O ATOM 798 CB LEU A 50 0.204 -5.588 4.651 1.00 7.13 C ATOM 799 CG LEU A 50 -0.178 -4.576 5.743 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.492 -3.161 5.229 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.370 -5.148 6.530 1.00 8.14 C ATOM 0 H LEU A 50 2.672 -5.836 5.277 1.00 6.51 H new ATOM 0 HA LEU A 50 0.225 -7.406 5.802 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.853 -5.092 3.929 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.700 -5.882 4.118 1.00 7.13 H new ATOM 0 HG LEU A 50 0.696 -4.444 6.381 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -0.751 -2.518 6.070 1.00 9.11 H new ATOM 0 HD12 LEU A 50 0.382 -2.757 4.718 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.330 -3.204 4.534 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.660 -4.446 7.312 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.210 -5.305 5.854 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.085 -6.098 6.982 1.00 8.14 H new ATOM 813 N GLU A 51 0.673 -8.816 3.781 1.00 9.43 N ATOM 814 CA GLU A 51 1.059 -9.810 2.828 1.00 11.90 C ATOM 815 C GLU A 51 0.304 -9.657 1.552 1.00 11.49 C ATOM 816 O GLU A 51 -0.911 -9.499 1.449 1.00 9.88 O ATOM 817 CB GLU A 51 0.720 -11.152 3.497 1.00 16.56 C ATOM 818 CG GLU A 51 1.623 -11.463 4.693 1.00 26.06 C ATOM 819 CD GLU A 51 1.198 -12.764 5.358 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.461 -13.906 4.896 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.498 -12.626 6.396 1.00 33.44 O ATOM 0 H GLU A 51 -0.177 -9.055 4.292 1.00 9.43 H new ATOM 0 HA GLU A 51 2.115 -9.730 2.568 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.319 -11.136 3.826 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.810 -11.952 2.762 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.659 -11.538 4.364 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.576 -10.647 5.414 1.00 26.06 H new ATOM 828 N ASP A 52 1.105 -9.665 0.472 1.00 12.71 N ATOM 829 CA ASP A 52 0.760 -9.576 -0.913 1.00 16.56 C ATOM 830 C ASP A 52 -0.488 -10.167 -1.471 1.00 15.83 C ATOM 831 O ASP A 52 -1.168 -9.591 -2.319 1.00 17.21 O ATOM 832 CB ASP A 52 2.029 -10.089 -1.614 1.00 21.05 C ATOM 833 CG ASP A 52 3.152 -9.079 -1.426 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.342 -8.583 -0.284 1.00 28.37 O ATOM 835 OD2 ASP A 52 3.903 -8.786 -2.394 1.00 25.82 O ATOM 0 H ASP A 52 2.115 -9.743 0.588 1.00 12.71 H new ATOM 0 HA ASP A 52 0.462 -8.543 -1.093 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.321 -11.055 -1.202 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.835 -10.241 -2.676 1.00 21.05 H new ATOM 840 N GLY A 53 -0.831 -11.398 -1.049 1.00 15.00 N ATOM 841 CA GLY A 53 -1.852 -12.200 -1.649 1.00 11.77 C ATOM 842 C GLY A 53 -3.223 -11.888 -1.158 1.00 11.10 C ATOM 843 O GLY A 53 -4.184 -12.361 -1.764 1.00 11.25 O ATOM 0 H GLY A 53 -0.378 -11.853 -0.257 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.822 -12.062 -2.730 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.637 -13.251 -1.456 1.00 11.77 H new ATOM 847 N ARG A 54 -3.356 -11.172 -0.027 1.00 8.53 N ATOM 848 CA ARG A 54 -4.559 -10.728 0.606 1.00 9.05 C ATOM 849 C ARG A 54 -4.969 -9.410 0.045 1.00 8.96 C ATOM 850 O ARG A 54 -4.169 -8.549 -0.315 1.00 11.60 O ATOM 851 CB ARG A 54 -4.256 -10.569 2.105 1.00 7.97 C ATOM 852 CG ARG A 54 -3.810 -11.812 2.879 1.00 9.62 C ATOM 853 CD ARG A 54 -4.863 -12.870 3.216 1.00 12.20 C ATOM 854 NE ARG A 54 -4.211 -14.081 3.790 1.00 18.23 N ATOM 855 CZ ARG A 54 -4.852 -15.254 4.063 1.00 22.08 C ATOM 856 NH1 ARG A 54 -6.151 -15.521 3.740 1.00 23.38 N ATOM 857 NH2 ARG A 54 -4.148 -16.209 4.738 1.00 25.50 N ATOM 0 H ARG A 54 -2.533 -10.875 0.496 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.365 -11.443 0.442 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.479 -9.812 2.211 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.151 -10.177 2.588 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.022 -12.298 2.303 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.362 -11.478 3.815 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -5.582 -12.464 3.927 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -5.419 -13.139 2.318 1.00 12.20 H new ATOM 0 HE ARG A 54 -3.213 -14.029 3.994 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -6.712 -14.817 3.260 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -6.560 -16.424 3.978 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -3.183 -16.030 5.017 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -4.587 -17.102 4.964 1.00 25.50 H new ATOM 871 N THR A 55 -6.294 -9.189 -0.017 1.00 9.05 N ATOM 872 CA THR A 55 -6.954 -7.972 -0.377 1.00 9.03 C ATOM 873 C THR A 55 -7.011 -7.055 0.795 1.00 8.15 C ATOM 874 O THR A 55 -6.763 -7.484 1.922 1.00 5.91 O ATOM 875 CB THR A 55 -8.376 -8.198 -0.800 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.154 -8.930 0.135 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.462 -9.024 -2.095 1.00 11.71 C ATOM 0 H THR A 55 -6.961 -9.928 0.205 1.00 9.05 H new ATOM 0 HA THR A 55 -6.381 -7.551 -1.203 1.00 9.03 H new ATOM 0 HB THR A 55 -8.762 -7.185 -0.911 1.00 11.15 H new ATOM 0 HG1 THR A 55 -8.663 -9.732 0.412 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.508 -9.166 -2.367 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.946 -8.497 -2.898 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.993 -9.996 -1.939 1.00 11.71 H new ATOM 885 N LEU A 56 -7.289 -5.761 0.555 1.00 6.91 N ATOM 886 CA LEU A 56 -7.544 -4.797 1.580 1.00 8.29 C ATOM 887 C LEU A 56 -8.726 -5.078 2.443 1.00 8.05 C ATOM 888 O LEU A 56 -8.696 -5.046 3.672 1.00 10.17 O ATOM 889 CB LEU A 56 -7.643 -3.427 0.888 1.00 6.60 C ATOM 890 CG LEU A 56 -6.343 -3.215 0.093 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.345 -1.775 -0.449 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.035 -3.251 0.900 1.00 9.85 C ATOM 0 H LEU A 56 -7.338 -5.372 -0.387 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.720 -4.831 2.293 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.507 -3.394 0.225 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -7.776 -2.634 1.624 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.348 -4.029 -0.632 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.432 -1.599 -1.018 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.209 -1.631 -1.097 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -6.395 -1.073 0.383 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.190 -3.090 0.231 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -5.053 -2.467 1.657 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -4.933 -4.222 1.385 1.00 9.85 H new ATOM 904 N SER A 57 -9.815 -5.616 1.865 1.00 8.92 N ATOM 905 CA SER A 57 -10.923 -6.296 2.460 1.00 9.00 C ATOM 906 C SER A 57 -10.647 -7.337 3.490 1.00 9.44 C ATOM 907 O SER A 57 -11.160 -7.335 4.608 1.00 10.91 O ATOM 908 CB SER A 57 -11.881 -6.914 1.427 1.00 10.32 C ATOM 909 OG SER A 57 -12.563 -5.907 0.695 1.00 13.59 O ATOM 0 H SER A 57 -9.928 -5.565 0.853 1.00 8.92 H new ATOM 0 HA SER A 57 -11.375 -5.459 2.991 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.320 -7.550 0.741 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.605 -7.552 1.934 1.00 10.32 H new ATOM 0 HG SER A 57 -13.164 -6.326 0.044 1.00 13.59 H new ATOM 915 N ASP A 58 -9.705 -8.282 3.320 1.00 9.11 N ATOM 916 CA ASP A 58 -9.091 -9.195 4.233 1.00 7.91 C ATOM 917 C ASP A 58 -8.423 -8.635 5.441 1.00 9.12 C ATOM 918 O ASP A 58 -8.056 -9.375 6.352 1.00 8.61 O ATOM 919 CB ASP A 58 -7.981 -10.007 3.544 1.00 8.41 C ATOM 920 CG ASP A 58 -8.460 -10.974 2.470 1.00 11.50 C ATOM 921 OD1 ASP A 58 -9.396 -11.765 2.764 1.00 11.70 O ATOM 922 OD2 ASP A 58 -7.874 -10.993 1.355 1.00 10.05 O ATOM 0 H ASP A 58 -9.316 -8.421 2.387 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.961 -9.767 4.557 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.270 -9.313 3.095 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.440 -10.571 4.304 1.00 8.41 H new ATOM 927 N TYR A 59 -8.196 -7.310 5.453 1.00 7.97 N ATOM 928 CA TYR A 59 -7.448 -6.764 6.542 1.00 8.45 C ATOM 929 C TYR A 59 -8.316 -5.752 7.207 1.00 10.98 C ATOM 930 O TYR A 59 -7.901 -5.308 8.277 1.00 12.95 O ATOM 931 CB TYR A 59 -6.250 -5.922 6.071 1.00 7.94 C ATOM 932 CG TYR A 59 -5.072 -6.808 5.855 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.298 -7.161 6.936 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.608 -7.127 4.600 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.206 -7.977 6.757 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.471 -7.866 4.373 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.822 -8.340 5.488 1.00 6.76 C ATOM 938 OH TYR A 59 -1.714 -9.196 5.313 1.00 7.63 O ATOM 0 H TYR A 59 -8.512 -6.645 4.747 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.124 -7.602 7.159 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.500 -5.400 5.147 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.014 -5.160 6.814 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.547 -6.798 7.922 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.168 -6.777 3.745 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.651 -8.332 7.612 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.108 -8.063 3.375 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.961 -9.932 4.715 1.00 7.63 H new ATOM 948 N ASN A 60 -9.487 -5.415 6.638 1.00 12.38 N ATOM 949 CA ASN A 60 -10.587 -4.566 6.976 1.00 13.94 C ATOM 950 C ASN A 60 -10.158 -3.154 6.769 1.00 14.16 C ATOM 951 O ASN A 60 -10.467 -2.250 7.544 1.00 14.26 O ATOM 952 CB ASN A 60 -11.127 -4.951 8.363 1.00 19.23 C ATOM 953 CG ASN A 60 -11.783 -6.324 8.327 1.00 22.65 C ATOM 954 OD1 ASN A 60 -11.017 -7.286 8.351 1.00 25.45 O ATOM 955 ND2 ASN A 60 -13.132 -6.416 8.187 1.00 24.09 N ATOM 0 H ASN A 60 -9.695 -5.844 5.736 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.455 -4.693 6.328 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.313 -4.951 9.088 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.850 -4.206 8.696 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.574 -7.331 8.093 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -13.702 -5.571 8.176 1.00 24.09 H new ATOM 962 N ILE A 61 -9.314 -2.970 5.738 1.00 11.08 N ATOM 963 CA ILE A 61 -8.746 -1.686 5.469 1.00 11.78 C ATOM 964 C ILE A 61 -9.766 -0.929 4.691 1.00 13.74 C ATOM 965 O ILE A 61 -9.918 -1.236 3.509 1.00 14.60 O ATOM 966 CB ILE A 61 -7.503 -1.728 4.630 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.311 -2.382 5.348 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.986 -0.378 4.103 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.157 -2.836 4.456 1.00 11.42 C ATOM 0 H ILE A 61 -9.026 -3.706 5.094 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.475 -1.239 6.425 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.852 -2.321 3.785 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.921 -1.675 6.080 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.677 -3.246 5.903 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.085 -0.539 3.512 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.750 0.086 3.480 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.756 0.277 4.944 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.375 -3.281 5.071 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.519 -3.573 3.740 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.752 -1.978 3.920 1.00 11.42 H new ATOM 981 N GLN A 62 -10.455 0.062 5.283 1.00 13.97 N ATOM 982 CA GLN A 62 -11.395 0.966 4.696 1.00 15.52 C ATOM 983 C GLN A 62 -10.784 2.236 4.213 1.00 13.94 C ATOM 984 O GLN A 62 -9.566 2.396 4.273 1.00 12.15 O ATOM 985 CB GLN A 62 -12.503 1.244 5.725 1.00 19.53 C ATOM 986 CG GLN A 62 -12.009 1.722 7.092 1.00 26.38 C ATOM 987 CD GLN A 62 -13.241 2.008 7.940 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.155 2.777 7.644 1.00 33.23 O ATOM 989 NE2 GLN A 62 -13.209 1.324 9.115 1.00 32.71 N ATOM 0 H GLN A 62 -10.339 0.247 6.279 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.804 0.492 3.804 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -13.178 1.996 5.316 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.086 0.334 5.864 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -11.385 0.962 7.563 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.397 2.618 6.988 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.431 0.697 9.319 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -13.963 1.438 9.792 1.00 32.71 H new ATOM 998 N LYS A 63 -11.515 3.249 3.714 1.00 11.73 N ATOM 999 CA LYS A 63 -10.995 4.494 3.242 1.00 11.97 C ATOM 1000 C LYS A 63 -10.220 5.275 4.247 1.00 10.41 C ATOM 1001 O LYS A 63 -10.541 5.221 5.433 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.088 5.356 2.589 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.192 5.836 3.533 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.387 6.406 2.766 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.214 7.294 3.698 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.304 7.946 2.938 1.00 25.97 N ATOM 0 H LYS A 63 -12.531 3.194 3.636 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.267 4.213 2.481 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -11.617 6.227 2.134 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.546 4.784 1.782 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.523 5.006 4.157 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -12.792 6.598 4.202 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.041 6.983 1.909 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.003 5.595 2.377 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -15.631 6.696 4.508 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -14.576 8.050 4.155 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -16.861 8.548 3.578 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -15.897 8.530 2.180 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.920 7.219 2.522 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.294 6.093 3.715 1.00 10.04 N ATOM 1021 CA GLU A 64 -8.568 7.058 4.482 1.00 10.94 C ATOM 1022 C GLU A 64 -7.499 6.502 5.359 1.00 9.74 C ATOM 1023 O GLU A 64 -6.881 7.256 6.108 1.00 9.42 O ATOM 1024 CB GLU A 64 -9.457 8.025 5.282 1.00 18.31 C ATOM 1025 CG GLU A 64 -10.408 8.873 4.435 1.00 24.16 C ATOM 1026 CD GLU A 64 -11.484 9.586 5.241 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.294 8.896 5.916 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -11.397 10.843 5.245 1.00 32.61 O ATOM 0 H GLU A 64 -9.043 6.083 2.726 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.066 7.629 3.701 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -10.045 7.449 5.996 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -8.816 8.691 5.860 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -9.827 9.615 3.887 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -10.887 8.233 3.694 1.00 24.16 H new ATOM 1035 N SER A 65 -7.296 5.173 5.401 1.00 6.85 N ATOM 1036 CA SER A 65 -6.270 4.553 6.180 1.00 6.90 C ATOM 1037 C SER A 65 -4.834 4.856 5.919 1.00 4.72 C ATOM 1038 O SER A 65 -4.420 4.960 4.765 1.00 3.91 O ATOM 1039 CB SER A 65 -6.304 3.033 5.951 1.00 7.28 C ATOM 1040 OG SER A 65 -7.632 2.602 6.213 1.00 10.56 O ATOM 0 H SER A 65 -7.864 4.509 4.876 1.00 6.85 H new ATOM 0 HA SER A 65 -6.523 4.951 7.163 1.00 6.90 H new ATOM 0 HB2 SER A 65 -6.015 2.791 4.928 1.00 7.28 H new ATOM 0 HB3 SER A 65 -5.598 2.528 6.610 1.00 7.28 H new ATOM 0 HG SER A 65 -8.148 2.606 5.380 1.00 10.56 H new ATOM 1046 N THR A 66 -4.091 4.934 7.037 1.00 4.48 N ATOM 1047 CA THR A 66 -2.744 5.411 6.987 1.00 3.80 C ATOM 1048 C THR A 66 -1.845 4.223 6.970 1.00 4.60 C ATOM 1049 O THR A 66 -1.682 3.499 7.951 1.00 5.33 O ATOM 1050 CB THR A 66 -2.410 6.342 8.115 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.264 7.473 8.023 1.00 2.15 O ATOM 1052 CG2 THR A 66 -0.966 6.859 7.997 1.00 3.40 C ATOM 0 H THR A 66 -4.418 4.670 7.966 1.00 4.48 H new ATOM 0 HA THR A 66 -2.609 6.006 6.084 1.00 3.80 H new ATOM 0 HB THR A 66 -2.531 5.803 9.055 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.063 8.095 8.753 1.00 2.15 H new ATOM 0 HG21 THR A 66 -0.751 7.532 8.827 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.275 6.017 8.024 1.00 3.40 H new ATOM 0 HG23 THR A 66 -0.847 7.396 7.056 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.199 3.982 5.816 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.402 2.826 5.546 1.00 3.85 C ATOM 1062 C LEU A 67 1.002 3.324 5.492 1.00 3.80 C ATOM 1063 O LEU A 67 1.306 4.438 5.069 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.654 2.047 4.244 1.00 7.18 C ATOM 1065 CG LEU A 67 -1.944 1.208 4.241 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -1.757 0.165 3.127 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.286 0.519 5.572 1.00 8.12 C ATOM 0 H LEU A 67 -1.235 4.629 5.028 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.651 2.109 6.328 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.693 2.753 3.415 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.194 1.387 4.061 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.790 1.875 4.077 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -2.642 -0.469 3.070 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -1.612 0.673 2.174 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -0.884 -0.450 3.347 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.212 -0.045 5.462 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.479 -0.159 5.849 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.410 1.272 6.350 1.00 8.12 H new ATOM 1079 N HIS A 68 1.933 2.521 6.038 1.00 2.94 N ATOM 1080 CA HIS A 68 3.318 2.868 6.117 1.00 4.17 C ATOM 1081 C HIS A 68 4.093 2.103 5.100 1.00 5.32 C ATOM 1082 O HIS A 68 4.170 0.875 5.099 1.00 7.70 O ATOM 1083 CB HIS A 68 3.943 2.506 7.475 1.00 5.57 C ATOM 1084 CG HIS A 68 3.290 3.141 8.667 1.00 9.95 C ATOM 1085 ND1 HIS A 68 3.549 2.972 10.012 1.00 13.74 N ATOM 1086 CD2 HIS A 68 2.226 3.987 8.643 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.671 3.767 10.682 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.820 4.399 9.896 1.00 16.30 N ATOM 0 H HIS A 68 1.717 1.607 6.435 1.00 2.94 H new ATOM 0 HA HIS A 68 3.364 3.946 5.959 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.909 1.423 7.596 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.995 2.792 7.461 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.744 4.306 7.730 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.671 3.871 11.757 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.059 5.029 10.149 1.00 16.30 H new ATOM 1096 N LEU A 69 4.716 2.882 4.198 1.00 5.29 N ATOM 1097 CA LEU A 69 5.588 2.474 3.141 1.00 3.97 C ATOM 1098 C LEU A 69 6.992 2.590 3.623 1.00 5.07 C ATOM 1099 O LEU A 69 7.474 3.699 3.849 1.00 4.34 O ATOM 1100 CB LEU A 69 5.311 3.267 1.852 1.00 6.08 C ATOM 1101 CG LEU A 69 6.023 2.672 0.626 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.737 1.182 0.377 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.654 3.328 -0.716 1.00 6.87 C ATOM 0 H LEU A 69 4.596 3.895 4.212 1.00 5.29 H new ATOM 0 HA LEU A 69 5.407 1.433 2.874 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.237 3.290 1.668 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.633 4.299 1.989 1.00 6.08 H new ATOM 0 HG LEU A 69 7.061 2.854 0.903 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.281 0.850 -0.507 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.059 0.600 1.241 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.668 1.038 0.221 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.205 2.843 -1.522 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.584 3.220 -0.892 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.912 4.387 -0.687 1.00 6.87 H new ATOM 1115 N VAL A 70 7.573 1.451 4.041 1.00 4.29 N ATOM 1116 CA VAL A 70 8.921 1.203 4.449 1.00 6.26 C ATOM 1117 C VAL A 70 9.782 0.870 3.279 1.00 9.22 C ATOM 1118 O VAL A 70 9.644 -0.177 2.648 1.00 9.36 O ATOM 1119 CB VAL A 70 8.880 0.109 5.474 1.00 8.69 C ATOM 1120 CG1 VAL A 70 10.334 -0.114 5.922 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.909 0.451 6.617 1.00 8.54 C ATOM 0 H VAL A 70 7.021 0.595 4.098 1.00 4.29 H new ATOM 0 HA VAL A 70 9.369 2.093 4.891 1.00 6.26 H new ATOM 0 HB VAL A 70 8.485 -0.823 5.069 1.00 8.69 H new ATOM 0 HG11 VAL A 70 10.366 -0.904 6.672 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.939 -0.404 5.063 1.00 9.76 H new ATOM 0 HG13 VAL A 70 10.729 0.808 6.349 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.902 -0.361 7.344 1.00 8.54 H new ATOM 0 HG22 VAL A 70 8.231 1.371 7.105 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.905 0.586 6.214 1.00 8.54 H new ATOM 1131 N LEU A 71 10.701 1.786 2.923 1.00 12.71 N ATOM 1132 CA LEU A 71 11.578 1.639 1.803 1.00 16.06 C ATOM 1133 C LEU A 71 12.711 0.839 2.348 1.00 18.09 C ATOM 1134 O LEU A 71 13.467 1.341 3.179 1.00 19.26 O ATOM 1135 CB LEU A 71 12.080 2.923 1.121 1.00 17.10 C ATOM 1136 CG LEU A 71 11.029 3.754 0.365 1.00 19.37 C ATOM 1137 CD1 LEU A 71 9.950 4.413 1.240 1.00 19.57 C ATOM 1138 CD2 LEU A 71 11.763 4.810 -0.478 1.00 17.51 C ATOM 0 H LEU A 71 10.838 2.659 3.433 1.00 12.71 H new ATOM 0 HA LEU A 71 11.029 1.174 0.984 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.535 3.558 1.881 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.869 2.651 0.420 1.00 17.10 H new ATOM 0 HG LEU A 71 10.471 3.055 -0.258 1.00 19.37 H new ATOM 0 HD11 LEU A 71 9.261 4.974 0.608 1.00 19.57 H new ATOM 0 HD12 LEU A 71 9.400 3.643 1.782 1.00 19.57 H new ATOM 0 HD13 LEU A 71 10.422 5.090 1.952 1.00 19.57 H new ATOM 0 HD21 LEU A 71 11.035 5.411 -1.023 1.00 17.51 H new ATOM 0 HD22 LEU A 71 12.349 5.455 0.177 1.00 17.51 H new ATOM 0 HD23 LEU A 71 12.426 4.313 -1.186 1.00 17.51 H new ATOM 1150 N ARG A 72 12.886 -0.412 1.885 1.00 21.47 N ATOM 1151 CA ARG A 72 13.832 -1.329 2.440 1.00 25.83 C ATOM 1152 C ARG A 72 14.739 -1.971 1.447 1.00 27.74 C ATOM 1153 O ARG A 72 14.511 -1.876 0.242 1.00 30.65 O ATOM 1154 CB ARG A 72 13.155 -2.389 3.324 1.00 28.49 C ATOM 1155 CG ARG A 72 11.989 -3.142 2.681 1.00 31.79 C ATOM 1156 CD ARG A 72 12.261 -4.396 1.848 1.00 34.05 C ATOM 1157 NE ARG A 72 10.961 -4.638 1.160 1.00 35.08 N ATOM 1158 CZ ARG A 72 10.736 -5.658 0.281 1.00 34.67 C ATOM 1159 NH1 ARG A 72 11.577 -6.725 0.148 1.00 35.02 N ATOM 1160 NH2 ARG A 72 9.571 -5.793 -0.417 1.00 34.97 N ATOM 0 H ARG A 72 12.355 -0.796 1.103 1.00 21.47 H new ATOM 0 HA ARG A 72 14.474 -0.706 3.063 1.00 25.83 H new ATOM 0 HB2 ARG A 72 13.908 -3.115 3.630 1.00 28.49 H new ATOM 0 HB3 ARG A 72 12.794 -1.903 4.230 1.00 28.49 H new ATOM 0 HG2 ARG A 72 11.304 -3.425 3.480 1.00 31.79 H new ATOM 0 HG3 ARG A 72 11.459 -2.436 2.042 1.00 31.79 H new ATOM 0 HD2 ARG A 72 13.070 -4.238 1.135 1.00 34.05 H new ATOM 0 HD3 ARG A 72 12.548 -5.241 2.474 1.00 34.05 H new ATOM 0 HE ARG A 72 10.190 -4.001 1.359 1.00 35.08 H new ATOM 0 HH11 ARG A 72 12.419 -6.785 0.721 1.00 35.02 H new ATOM 0 HH12 ARG A 72 11.364 -7.462 -0.524 1.00 35.02 H new ATOM 0 HH21 ARG A 72 8.820 -5.114 -0.293 1.00 34.97 H new ATOM 0 HH22 ARG A 72 9.451 -6.573 -1.063 1.00 34.97 H new ATOM 1174 N LEU A 73 15.799 -2.654 1.915 1.00 28.93 N ATOM 1175 CA LEU A 73 16.611 -3.395 1.000 1.00 30.76 C ATOM 1176 C LEU A 73 16.118 -4.794 0.858 1.00 32.18 C ATOM 1177 O LEU A 73 15.490 -5.252 1.811 1.00 32.31 O ATOM 1178 CB LEU A 73 18.003 -3.573 1.630 1.00 30.53 C ATOM 1179 CG LEU A 73 18.589 -2.162 1.811 1.00 30.16 C ATOM 1180 CD1 LEU A 73 20.010 -2.346 2.371 1.00 29.11 C ATOM 1181 CD2 LEU A 73 18.655 -1.375 0.492 1.00 29.57 C ATOM 0 H LEU A 73 16.088 -2.695 2.892 1.00 28.93 H new ATOM 0 HA LEU A 73 16.605 -2.861 0.050 1.00 30.76 H new ATOM 0 HB2 LEU A 73 17.931 -4.088 2.588 1.00 30.53 H new ATOM 0 HB3 LEU A 73 18.643 -4.179 0.989 1.00 30.53 H new ATOM 0 HG LEU A 73 17.948 -1.588 2.480 1.00 30.16 H new ATOM 0 HD11 LEU A 73 20.472 -1.370 2.518 1.00 29.11 H new ATOM 0 HD12 LEU A 73 19.960 -2.872 3.325 1.00 29.11 H new ATOM 0 HD13 LEU A 73 20.606 -2.927 1.667 1.00 29.11 H new ATOM 0 HD21 LEU A 73 19.076 -0.387 0.678 1.00 29.57 H new ATOM 0 HD22 LEU A 73 19.284 -1.909 -0.219 1.00 29.57 H new ATOM 0 HD23 LEU A 73 17.651 -1.270 0.081 1.00 29.57 H new ATOM 1193 N ARG A 74 16.448 -5.423 -0.284 1.00 33.82 N ATOM 1194 CA ARG A 74 15.911 -6.699 -0.642 1.00 35.33 C ATOM 1195 C ARG A 74 16.590 -7.869 -0.018 1.00 36.22 C ATOM 1196 O ARG A 74 17.781 -8.110 -0.213 1.00 36.70 O ATOM 1197 CB ARG A 74 15.977 -6.844 -2.171 1.00 36.91 C ATOM 1198 CG ARG A 74 15.155 -7.982 -2.780 1.00 38.62 C ATOM 1199 CD ARG A 74 15.099 -8.086 -4.306 1.00 39.75 C ATOM 1200 NE ARG A 74 14.157 -9.191 -4.639 1.00 41.13 N ATOM 1201 CZ ARG A 74 13.571 -9.386 -5.856 1.00 41.91 C ATOM 1202 NH1 ARG A 74 13.920 -8.672 -6.966 1.00 42.75 N ATOM 1203 NH2 ARG A 74 12.773 -10.469 -6.082 1.00 41.93 N ATOM 0 H ARG A 74 17.098 -5.040 -0.970 1.00 33.82 H new ATOM 0 HA ARG A 74 14.890 -6.714 -0.262 1.00 35.33 H new ATOM 0 HB2 ARG A 74 15.647 -5.906 -2.618 1.00 36.91 H new ATOM 0 HB3 ARG A 74 17.020 -6.984 -2.457 1.00 36.91 H new ATOM 0 HG2 ARG A 74 15.549 -8.923 -2.395 1.00 38.62 H new ATOM 0 HG3 ARG A 74 14.133 -7.890 -2.413 1.00 38.62 H new ATOM 0 HD2 ARG A 74 14.760 -7.147 -4.743 1.00 39.75 H new ATOM 0 HD3 ARG A 74 16.089 -8.289 -4.714 1.00 39.75 H new ATOM 0 HE ARG A 74 13.932 -9.855 -3.898 1.00 41.13 H new ATOM 0 HH11 ARG A 74 14.646 -7.958 -6.906 1.00 42.75 H new ATOM 0 HH12 ARG A 74 13.454 -8.852 -7.855 1.00 42.75 H new ATOM 0 HH21 ARG A 74 12.608 -11.145 -5.337 1.00 41.93 H new ATOM 0 HH22 ARG A 74 12.341 -10.602 -6.996 1.00 41.93 H new ATOM 1217 N GLY A 75 15.951 -8.577 0.930 1.00 36.31 N ATOM 1218 CA GLY A 75 16.426 -9.748 1.599 1.00 36.07 C ATOM 1219 C GLY A 75 15.293 -10.665 1.909 1.00 36.16 C ATOM 1220 O GLY A 75 15.103 -11.681 1.242 1.00 36.26 O ATOM 0 H GLY A 75 15.023 -8.306 1.255 1.00 36.31 H new ATOM 0 HA2 GLY A 75 17.156 -10.261 0.973 1.00 36.07 H new ATOM 0 HA3 GLY A 75 16.937 -9.466 2.520 1.00 36.07 H new ATOM 1224 N GLY A 76 14.468 -10.208 2.868 1.00 36.05 N ATOM 1225 CA GLY A 76 13.374 -10.938 3.428 1.00 36.19 C ATOM 1226 C GLY A 76 12.207 -9.962 3.483 1.00 36.20 C ATOM 1227 O GLY A 76 12.183 -9.034 4.335 1.00 36.13 O ATOM 1228 OXT GLY A 76 11.209 -10.183 2.746 1.00 36.27 O ATOM 0 H GLY A 76 14.571 -9.278 3.274 1.00 36.05 H new ATOM 0 HA2 GLY A 76 13.129 -11.806 2.816 1.00 36.19 H new ATOM 0 HA3 GLY A 76 13.620 -11.309 4.423 1.00 36.19 H new TER 1232 GLY A 76