USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 634 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 43 ASN : amide:sc= -0.245 K(o=-0.25,f=-2.1!) USER MOD Set 1.2: A 45 LYS NZ :NH3+ -146:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.209 USER MOD Single : A 15 HIS :FLIP no HD1:sc= -3.34! C(o=-4.3!,f=-3.3!) USER MOD Single : A 20 THR OG1 : rot 101:sc= 1.12 USER MOD Single : A 24 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.2!) USER MOD Single : A 25 THR OG1 : rot 129:sc= -2.24! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -135:sc= -0.0213 (180deg=-0.117) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.44 USER MOD Single : A 34 ASN : amide:sc= -0.0148 K(o=-0.015,f=-1) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0751 USER MOD Single : A 38 ASN :FLIP amide:sc= 0.762 F(o=-0.016,f=0.76) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -73:sc= 0.441 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 12:sc= 0.915 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -5.2 K(o=-5.2,f=-18!) USER MOD Single : A 80 THR OG1 : rot 109:sc= 1.16 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -61:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 11.483 -0.544 8.938 1.00 0.00 N ATOM 2 CA ALA A 2 10.896 -1.609 8.067 1.00 0.00 C ATOM 3 C ALA A 2 9.378 -1.415 7.977 1.00 0.00 C ATOM 4 O ALA A 2 8.616 -2.361 8.044 1.00 0.00 O ATOM 5 CB ALA A 2 11.205 -2.989 8.657 1.00 0.00 C ATOM 0 HA ALA A 2 11.331 -1.541 7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.776 -3.762 8.019 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.285 -3.126 8.716 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.775 -3.062 9.656 1.00 0.00 H new ATOM 11 N GLN A 3 8.939 -0.190 7.825 1.00 0.00 N ATOM 12 CA GLN A 3 7.473 0.082 7.729 1.00 0.00 C ATOM 13 C GLN A 3 7.247 1.580 7.503 1.00 0.00 C ATOM 14 O GLN A 3 8.181 2.332 7.304 1.00 0.00 O ATOM 15 CB GLN A 3 6.785 -0.347 9.029 1.00 0.00 C ATOM 16 CG GLN A 3 7.446 0.357 10.218 1.00 0.00 C ATOM 17 CD GLN A 3 6.511 0.303 11.426 1.00 0.00 C ATOM 18 OE1 GLN A 3 6.074 1.324 11.917 1.00 0.00 O ATOM 19 NE2 GLN A 3 6.182 -0.855 11.928 1.00 0.00 N ATOM 0 H GLN A 3 9.535 0.635 7.763 1.00 0.00 H new ATOM 0 HA GLN A 3 7.054 -0.480 6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.724 -0.098 8.990 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.855 -1.428 9.149 1.00 0.00 H new ATOM 0 HG2 GLN A 3 8.395 -0.123 10.457 1.00 0.00 H new ATOM 0 HG3 GLN A 3 7.669 1.393 9.963 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.549 -1.713 11.515 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.558 -0.903 12.733 1.00 0.00 H new ATOM 28 N LYS A 4 6.011 2.014 7.538 1.00 0.00 N ATOM 29 CA LYS A 4 5.707 3.464 7.334 1.00 0.00 C ATOM 30 C LYS A 4 4.194 3.678 7.420 1.00 0.00 C ATOM 31 O LYS A 4 3.426 2.736 7.445 1.00 0.00 O ATOM 32 CB LYS A 4 6.211 3.910 5.950 1.00 0.00 C ATOM 33 CG LYS A 4 7.446 4.804 6.110 1.00 0.00 C ATOM 34 CD LYS A 4 7.011 6.268 6.200 1.00 0.00 C ATOM 35 CE LYS A 4 8.184 7.124 6.688 1.00 0.00 C ATOM 36 NZ LYS A 4 7.680 8.175 7.616 1.00 0.00 N ATOM 0 H LYS A 4 5.196 1.423 7.700 1.00 0.00 H new ATOM 0 HA LYS A 4 6.206 4.052 8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.458 3.038 5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.425 4.451 5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.998 4.522 7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.120 4.666 5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.673 6.618 5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.167 6.366 6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.919 6.498 7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.689 7.585 5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.476 8.756 7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.995 8.778 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.217 7.725 8.431 1.00 0.00 H new ATOM 50 N THR A 5 3.766 4.913 7.460 1.00 0.00 N ATOM 51 CA THR A 5 2.306 5.206 7.539 1.00 0.00 C ATOM 52 C THR A 5 1.899 6.063 6.339 1.00 0.00 C ATOM 53 O THR A 5 2.621 6.954 5.932 1.00 0.00 O ATOM 54 CB THR A 5 2.005 5.963 8.835 1.00 0.00 C ATOM 55 OG1 THR A 5 2.528 5.234 9.938 1.00 0.00 O ATOM 56 CG2 THR A 5 0.492 6.119 8.996 1.00 0.00 C ATOM 0 H THR A 5 4.370 5.735 7.441 1.00 0.00 H new ATOM 0 HA THR A 5 1.744 4.272 7.529 1.00 0.00 H new ATOM 0 HB THR A 5 2.468 6.949 8.798 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.338 5.717 10.769 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.278 6.658 9.919 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.092 6.676 8.149 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.027 5.134 9.035 1.00 0.00 H new ATOM 64 N PHE A 6 0.752 5.797 5.769 1.00 0.00 N ATOM 65 CA PHE A 6 0.295 6.591 4.590 1.00 0.00 C ATOM 66 C PHE A 6 -1.138 7.074 4.820 1.00 0.00 C ATOM 67 O PHE A 6 -1.992 6.325 5.255 1.00 0.00 O ATOM 68 CB PHE A 6 0.343 5.710 3.339 1.00 0.00 C ATOM 69 CG PHE A 6 1.781 5.392 3.007 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.557 6.315 2.294 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.340 4.174 3.413 1.00 0.00 C ATOM 72 CE1 PHE A 6 3.890 6.019 1.987 1.00 0.00 C ATOM 73 CE2 PHE A 6 3.673 3.878 3.106 1.00 0.00 C ATOM 74 CZ PHE A 6 4.449 4.801 2.394 1.00 0.00 C ATOM 0 H PHE A 6 0.111 5.063 6.070 1.00 0.00 H new ATOM 0 HA PHE A 6 0.948 7.453 4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.216 4.789 3.507 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.131 6.222 2.501 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.127 7.255 1.981 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.742 3.463 3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.488 6.730 1.436 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.103 2.938 3.418 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.478 4.574 2.159 1.00 0.00 H new ATOM 84 N LYS A 7 -1.405 8.323 4.530 1.00 0.00 N ATOM 85 CA LYS A 7 -2.780 8.866 4.728 1.00 0.00 C ATOM 86 C LYS A 7 -3.494 8.960 3.378 1.00 0.00 C ATOM 87 O LYS A 7 -3.097 9.712 2.507 1.00 0.00 O ATOM 88 CB LYS A 7 -2.691 10.259 5.357 1.00 0.00 C ATOM 89 CG LYS A 7 -4.087 10.717 5.783 1.00 0.00 C ATOM 90 CD LYS A 7 -3.974 11.643 6.998 1.00 0.00 C ATOM 91 CE LYS A 7 -5.007 12.766 6.884 1.00 0.00 C ATOM 92 NZ LYS A 7 -4.451 14.015 7.476 1.00 0.00 N ATOM 0 H LYS A 7 -0.726 8.990 4.164 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.340 8.203 5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.025 10.238 6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.267 10.965 4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.577 11.238 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.706 9.853 6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.136 11.077 7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.970 12.063 7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.267 12.931 5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.925 12.484 7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.153 14.778 7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.224 13.853 8.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.587 14.286 6.965 1.00 0.00 H new ATOM 106 N VAL A 8 -4.547 8.201 3.203 1.00 0.00 N ATOM 107 CA VAL A 8 -5.299 8.237 1.915 1.00 0.00 C ATOM 108 C VAL A 8 -6.127 9.521 1.844 1.00 0.00 C ATOM 109 O VAL A 8 -6.968 9.774 2.686 1.00 0.00 O ATOM 110 CB VAL A 8 -6.232 7.026 1.834 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.897 6.981 0.457 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.421 5.745 2.050 1.00 0.00 C ATOM 0 H VAL A 8 -4.918 7.556 3.901 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.595 8.211 1.083 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.000 7.108 2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.561 6.118 0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.474 7.893 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.131 6.900 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.083 4.881 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.654 5.666 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.948 5.775 3.031 1.00 0.00 H new ATOM 122 N THR A 9 -5.893 10.332 0.843 1.00 0.00 N ATOM 123 CA THR A 9 -6.662 11.605 0.709 1.00 0.00 C ATOM 124 C THR A 9 -7.390 11.656 -0.646 1.00 0.00 C ATOM 125 O THR A 9 -8.128 12.585 -0.915 1.00 0.00 O ATOM 126 CB THR A 9 -5.701 12.791 0.812 1.00 0.00 C ATOM 127 OG1 THR A 9 -4.923 12.667 1.994 1.00 0.00 O ATOM 128 CG2 THR A 9 -6.501 14.093 0.858 1.00 0.00 C ATOM 0 H THR A 9 -5.201 10.166 0.112 1.00 0.00 H new ATOM 0 HA THR A 9 -7.402 11.654 1.508 1.00 0.00 H new ATOM 0 HB THR A 9 -5.042 12.803 -0.056 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.306 13.425 2.060 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.817 14.938 0.931 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.097 14.186 -0.050 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.161 14.084 1.726 1.00 0.00 H new ATOM 136 N ALA A 10 -7.192 10.674 -1.499 1.00 0.00 N ATOM 137 CA ALA A 10 -7.877 10.686 -2.825 1.00 0.00 C ATOM 138 C ALA A 10 -9.391 10.591 -2.622 1.00 0.00 C ATOM 139 O ALA A 10 -9.874 9.732 -1.914 1.00 0.00 O ATOM 140 CB ALA A 10 -7.403 9.492 -3.657 1.00 0.00 C ATOM 0 H ALA A 10 -6.587 9.870 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.637 11.613 -3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.904 9.501 -4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.325 9.557 -3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.642 8.566 -3.134 1.00 0.00 H new ATOM 146 N ASP A 11 -10.134 11.472 -3.242 1.00 0.00 N ATOM 147 CA ASP A 11 -11.622 11.449 -3.104 1.00 0.00 C ATOM 148 C ASP A 11 -12.188 10.242 -3.857 1.00 0.00 C ATOM 149 O ASP A 11 -12.573 10.340 -5.005 1.00 0.00 O ATOM 150 CB ASP A 11 -12.215 12.741 -3.685 1.00 0.00 C ATOM 151 CG ASP A 11 -11.659 13.007 -5.093 1.00 0.00 C ATOM 152 OD1 ASP A 11 -10.993 12.137 -5.635 1.00 0.00 O ATOM 153 OD2 ASP A 11 -11.911 14.085 -5.608 1.00 0.00 O ATOM 0 H ASP A 11 -9.771 12.212 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.885 11.374 -2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.301 12.662 -3.726 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.981 13.581 -3.031 1.00 0.00 H new ATOM 158 N SER A 12 -12.240 9.102 -3.214 1.00 0.00 N ATOM 159 CA SER A 12 -12.775 7.866 -3.869 1.00 0.00 C ATOM 160 C SER A 12 -12.459 6.670 -2.976 1.00 0.00 C ATOM 161 O SER A 12 -13.228 5.730 -2.882 1.00 0.00 O ATOM 162 CB SER A 12 -12.115 7.653 -5.238 1.00 0.00 C ATOM 163 OG SER A 12 -10.766 8.095 -5.183 1.00 0.00 O ATOM 0 H SER A 12 -11.931 8.973 -2.251 1.00 0.00 H new ATOM 0 HA SER A 12 -13.851 7.971 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.153 6.599 -5.513 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.659 8.203 -6.006 1.00 0.00 H new ATOM 0 HG SER A 12 -10.341 7.959 -6.056 1.00 0.00 H new ATOM 169 N GLY A 13 -11.327 6.701 -2.318 1.00 0.00 N ATOM 170 CA GLY A 13 -10.943 5.574 -1.426 1.00 0.00 C ATOM 171 C GLY A 13 -9.936 4.675 -2.142 1.00 0.00 C ATOM 172 O GLY A 13 -9.251 5.100 -3.054 1.00 0.00 O ATOM 0 H GLY A 13 -10.652 7.464 -2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.510 5.959 -0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.826 4.999 -1.149 1.00 0.00 H new ATOM 176 N ILE A 14 -9.842 3.437 -1.734 1.00 0.00 N ATOM 177 CA ILE A 14 -8.882 2.500 -2.385 1.00 0.00 C ATOM 178 C ILE A 14 -9.658 1.458 -3.193 1.00 0.00 C ATOM 179 O ILE A 14 -10.473 0.726 -2.664 1.00 0.00 O ATOM 180 CB ILE A 14 -8.041 1.805 -1.313 1.00 0.00 C ATOM 181 CG1 ILE A 14 -7.386 2.866 -0.420 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.956 0.961 -1.987 1.00 0.00 C ATOM 183 CD1 ILE A 14 -6.622 2.187 0.720 1.00 0.00 C ATOM 0 H ILE A 14 -10.391 3.034 -0.975 1.00 0.00 H new ATOM 0 HA ILE A 14 -8.223 3.056 -3.053 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.677 1.160 -0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.706 3.481 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -8.147 3.532 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.355 0.465 -1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.423 0.212 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.316 1.605 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.159 2.946 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.313 1.591 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.849 1.539 0.305 1.00 0.00 H new ATOM 195 N HIS A 15 -9.410 1.397 -4.474 1.00 0.00 N ATOM 196 CA HIS A 15 -10.127 0.416 -5.344 1.00 0.00 C ATOM 197 C HIS A 15 -9.101 -0.372 -6.177 1.00 0.00 C ATOM 198 O HIS A 15 -7.922 -0.369 -5.875 1.00 0.00 O ATOM 199 CB HIS A 15 -11.137 1.153 -6.258 1.00 0.00 C ATOM 200 CG HIS A 15 -10.605 2.496 -6.699 1.00 0.00 C ATOM 201 ND1 HIS A 15 -10.267 3.629 -5.997 1.00 0.00 N flip ATOM 202 CD2 HIS A 15 -10.381 2.800 -8.032 1.00 0.00 C flip ATOM 203 CE1 HIS A 15 -9.841 4.618 -6.878 1.00 0.00 C flip ATOM 204 NE2 HIS A 15 -9.930 4.067 -8.091 1.00 0.00 N flip ATOM 0 H HIS A 15 -8.736 1.989 -4.960 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.686 -0.285 -4.723 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.352 0.540 -7.133 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -12.078 1.290 -5.726 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.540 2.140 -8.872 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.510 5.616 -6.633 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.686 4.548 -8.957 1.00 0.00 H new ATOM 212 N ALA A 16 -9.536 -1.072 -7.197 1.00 0.00 N ATOM 213 CA ALA A 16 -8.591 -1.883 -8.025 1.00 0.00 C ATOM 214 C ALA A 16 -7.617 -0.986 -8.806 1.00 0.00 C ATOM 215 O ALA A 16 -6.564 -1.434 -9.219 1.00 0.00 O ATOM 216 CB ALA A 16 -9.393 -2.732 -9.013 1.00 0.00 C ATOM 0 H ALA A 16 -10.511 -1.116 -7.492 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.009 -2.518 -7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.710 -3.326 -9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.061 -3.395 -8.464 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.980 -2.080 -9.660 1.00 0.00 H new ATOM 222 N ARG A 17 -7.954 0.263 -9.027 1.00 0.00 N ATOM 223 CA ARG A 17 -7.032 1.158 -9.800 1.00 0.00 C ATOM 224 C ARG A 17 -5.707 1.345 -9.027 1.00 0.00 C ATOM 225 O ARG A 17 -4.660 0.999 -9.540 1.00 0.00 O ATOM 226 CB ARG A 17 -7.704 2.520 -10.039 1.00 0.00 C ATOM 227 CG ARG A 17 -7.822 2.793 -11.543 1.00 0.00 C ATOM 228 CD ARG A 17 -8.307 4.228 -11.766 1.00 0.00 C ATOM 229 NE ARG A 17 -7.607 4.812 -12.944 1.00 0.00 N ATOM 230 CZ ARG A 17 -6.941 5.928 -12.819 1.00 0.00 C ATOM 231 NH1 ARG A 17 -7.546 7.073 -12.985 1.00 0.00 N ATOM 232 NH2 ARG A 17 -5.669 5.900 -12.528 1.00 0.00 N ATOM 0 H ARG A 17 -8.820 0.699 -8.709 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.814 0.698 -10.764 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.693 2.532 -9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.123 3.310 -9.563 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.857 2.645 -12.027 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.518 2.088 -11.998 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.385 4.238 -11.929 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.113 4.831 -10.879 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.648 4.340 -13.848 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.540 7.096 -13.213 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.025 7.944 -12.887 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.195 5.006 -12.398 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.149 6.772 -12.430 1.00 0.00 H new ATOM 246 N PRO A 18 -5.767 1.876 -7.815 1.00 0.00 N ATOM 247 CA PRO A 18 -4.550 2.083 -7.004 1.00 0.00 C ATOM 248 C PRO A 18 -3.992 0.747 -6.493 1.00 0.00 C ATOM 249 O PRO A 18 -2.846 0.664 -6.093 1.00 0.00 O ATOM 250 CB PRO A 18 -5.023 2.964 -5.844 1.00 0.00 C ATOM 251 CG PRO A 18 -6.548 2.758 -5.741 1.00 0.00 C ATOM 252 CD PRO A 18 -7.017 2.307 -7.134 1.00 0.00 C ATOM 0 HA PRO A 18 -3.741 2.541 -7.573 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.529 2.682 -4.914 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.783 4.011 -6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.789 2.008 -4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.046 3.681 -5.443 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.737 1.491 -7.068 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.505 3.119 -7.673 1.00 0.00 H new ATOM 260 N ALA A 19 -4.787 -0.297 -6.506 1.00 0.00 N ATOM 261 CA ALA A 19 -4.294 -1.623 -6.027 1.00 0.00 C ATOM 262 C ALA A 19 -3.448 -2.281 -7.121 1.00 0.00 C ATOM 263 O ALA A 19 -2.561 -3.065 -6.843 1.00 0.00 O ATOM 264 CB ALA A 19 -5.486 -2.523 -5.692 1.00 0.00 C ATOM 0 H ALA A 19 -5.755 -0.286 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.685 -1.481 -5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.125 -3.490 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.086 -2.056 -4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.097 -2.664 -6.583 1.00 0.00 H new ATOM 270 N THR A 20 -3.716 -1.963 -8.365 1.00 0.00 N ATOM 271 CA THR A 20 -2.930 -2.563 -9.484 1.00 0.00 C ATOM 272 C THR A 20 -1.597 -1.820 -9.618 1.00 0.00 C ATOM 273 O THR A 20 -0.585 -2.404 -9.961 1.00 0.00 O ATOM 274 CB THR A 20 -3.721 -2.436 -10.788 1.00 0.00 C ATOM 275 OG1 THR A 20 -5.056 -2.870 -10.572 1.00 0.00 O ATOM 276 CG2 THR A 20 -3.072 -3.301 -11.869 1.00 0.00 C ATOM 0 H THR A 20 -4.447 -1.312 -8.652 1.00 0.00 H new ATOM 0 HA THR A 20 -2.742 -3.617 -9.277 1.00 0.00 H new ATOM 0 HB THR A 20 -3.722 -1.395 -11.112 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.639 -2.091 -10.458 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.637 -3.209 -12.797 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.047 -2.969 -12.034 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.069 -4.343 -11.548 1.00 0.00 H new ATOM 284 N VAL A 21 -1.591 -0.539 -9.343 1.00 0.00 N ATOM 285 CA VAL A 21 -0.324 0.245 -9.446 1.00 0.00 C ATOM 286 C VAL A 21 0.530 -0.007 -8.201 1.00 0.00 C ATOM 287 O VAL A 21 1.746 0.042 -8.251 1.00 0.00 O ATOM 288 CB VAL A 21 -0.648 1.737 -9.544 1.00 0.00 C ATOM 289 CG1 VAL A 21 0.635 2.525 -9.815 1.00 0.00 C ATOM 290 CG2 VAL A 21 -1.637 1.970 -10.688 1.00 0.00 C ATOM 0 H VAL A 21 -2.409 -0.004 -9.052 1.00 0.00 H new ATOM 0 HA VAL A 21 0.222 -0.066 -10.336 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.089 2.073 -8.605 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.402 3.587 -9.884 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.341 2.361 -9.001 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.077 2.189 -10.753 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.868 3.033 -10.758 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.195 1.632 -11.625 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.553 1.411 -10.496 1.00 0.00 H new ATOM 300 N LEU A 22 -0.100 -0.275 -7.084 1.00 0.00 N ATOM 301 CA LEU A 22 0.661 -0.530 -5.827 1.00 0.00 C ATOM 302 C LEU A 22 1.234 -1.949 -5.848 1.00 0.00 C ATOM 303 O LEU A 22 2.316 -2.194 -5.352 1.00 0.00 O ATOM 304 CB LEU A 22 -0.274 -0.375 -4.626 1.00 0.00 C ATOM 305 CG LEU A 22 -0.528 1.110 -4.364 1.00 0.00 C ATOM 306 CD1 LEU A 22 -1.682 1.265 -3.373 1.00 0.00 C ATOM 307 CD2 LEU A 22 0.732 1.748 -3.778 1.00 0.00 C ATOM 0 H LEU A 22 -1.114 -0.328 -6.991 1.00 0.00 H new ATOM 0 HA LEU A 22 1.479 0.187 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.217 -0.888 -4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.169 -0.840 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.785 1.603 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.862 2.324 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.582 0.811 -3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.426 0.770 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.551 2.806 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.989 1.253 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.556 1.640 -4.483 1.00 0.00 H new ATOM 319 N VAL A 23 0.515 -2.884 -6.419 1.00 0.00 N ATOM 320 CA VAL A 23 1.017 -4.289 -6.475 1.00 0.00 C ATOM 321 C VAL A 23 2.205 -4.362 -7.442 1.00 0.00 C ATOM 322 O VAL A 23 3.111 -5.155 -7.267 1.00 0.00 O ATOM 323 CB VAL A 23 -0.113 -5.222 -6.944 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.569 -4.830 -8.351 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.384 -6.670 -6.955 1.00 0.00 C ATOM 0 H VAL A 23 -0.398 -2.733 -6.848 1.00 0.00 H new ATOM 0 HA VAL A 23 1.344 -4.606 -5.484 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.954 -5.130 -6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.369 -5.497 -8.673 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.934 -3.803 -8.342 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.271 -4.911 -9.041 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.419 -7.328 -7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.231 -6.759 -7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.694 -6.956 -5.950 1.00 0.00 H new ATOM 335 N GLN A 24 2.201 -3.538 -8.460 1.00 0.00 N ATOM 336 CA GLN A 24 3.321 -3.549 -9.446 1.00 0.00 C ATOM 337 C GLN A 24 4.609 -3.072 -8.768 1.00 0.00 C ATOM 338 O GLN A 24 5.648 -3.695 -8.887 1.00 0.00 O ATOM 339 CB GLN A 24 2.985 -2.613 -10.611 1.00 0.00 C ATOM 340 CG GLN A 24 2.050 -3.326 -11.593 1.00 0.00 C ATOM 341 CD GLN A 24 2.858 -3.863 -12.777 1.00 0.00 C ATOM 342 OE1 GLN A 24 3.859 -3.288 -13.154 1.00 0.00 O ATOM 343 NE2 GLN A 24 2.460 -4.947 -13.384 1.00 0.00 N ATOM 0 H GLN A 24 1.467 -2.856 -8.650 1.00 0.00 H new ATOM 0 HA GLN A 24 3.462 -4.563 -9.820 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.511 -1.706 -10.236 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.899 -2.308 -11.120 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.535 -4.145 -11.091 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.283 -2.636 -11.946 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.619 -5.430 -13.067 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.990 -5.312 -14.176 1.00 0.00 H new ATOM 352 N THR A 25 4.548 -1.971 -8.064 1.00 0.00 N ATOM 353 CA THR A 25 5.767 -1.443 -7.380 1.00 0.00 C ATOM 354 C THR A 25 6.249 -2.450 -6.333 1.00 0.00 C ATOM 355 O THR A 25 7.435 -2.652 -6.157 1.00 0.00 O ATOM 356 CB THR A 25 5.431 -0.118 -6.692 1.00 0.00 C ATOM 357 OG1 THR A 25 4.766 0.737 -7.612 1.00 0.00 O ATOM 358 CG2 THR A 25 6.719 0.550 -6.212 1.00 0.00 C ATOM 0 H THR A 25 3.704 -1.413 -7.933 1.00 0.00 H new ATOM 0 HA THR A 25 6.553 -1.284 -8.118 1.00 0.00 H new ATOM 0 HB THR A 25 4.782 -0.307 -5.837 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.940 1.074 -7.207 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.479 1.494 -5.722 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.228 -0.106 -5.506 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.370 0.740 -7.065 1.00 0.00 H new ATOM 366 N ALA A 26 5.336 -3.080 -5.638 1.00 0.00 N ATOM 367 CA ALA A 26 5.728 -4.074 -4.597 1.00 0.00 C ATOM 368 C ALA A 26 6.304 -5.330 -5.263 1.00 0.00 C ATOM 369 O ALA A 26 7.065 -6.063 -4.660 1.00 0.00 O ATOM 370 CB ALA A 26 4.497 -4.449 -3.768 1.00 0.00 C ATOM 0 H ALA A 26 4.331 -2.947 -5.749 1.00 0.00 H new ATOM 0 HA ALA A 26 6.487 -3.637 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.779 -5.175 -3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.096 -3.556 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.738 -4.883 -4.419 1.00 0.00 H new ATOM 376 N SER A 27 5.944 -5.585 -6.497 1.00 0.00 N ATOM 377 CA SER A 27 6.468 -6.793 -7.199 1.00 0.00 C ATOM 378 C SER A 27 7.980 -6.657 -7.407 1.00 0.00 C ATOM 379 O SER A 27 8.689 -7.641 -7.509 1.00 0.00 O ATOM 380 CB SER A 27 5.779 -6.932 -8.557 1.00 0.00 C ATOM 381 OG SER A 27 5.805 -8.295 -8.959 1.00 0.00 O ATOM 0 H SER A 27 5.309 -5.007 -7.047 1.00 0.00 H new ATOM 0 HA SER A 27 6.266 -7.676 -6.593 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.750 -6.579 -8.493 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.283 -6.312 -9.299 1.00 0.00 H new ATOM 0 HG SER A 27 5.363 -8.388 -9.829 1.00 0.00 H new ATOM 387 N LYS A 28 8.478 -5.447 -7.472 1.00 0.00 N ATOM 388 CA LYS A 28 9.943 -5.243 -7.676 1.00 0.00 C ATOM 389 C LYS A 28 10.717 -5.749 -6.454 1.00 0.00 C ATOM 390 O LYS A 28 11.881 -6.091 -6.551 1.00 0.00 O ATOM 391 CB LYS A 28 10.225 -3.752 -7.873 1.00 0.00 C ATOM 392 CG LYS A 28 10.030 -3.387 -9.346 1.00 0.00 C ATOM 393 CD LYS A 28 11.181 -3.966 -10.175 1.00 0.00 C ATOM 394 CE LYS A 28 12.253 -2.894 -10.391 1.00 0.00 C ATOM 395 NZ LYS A 28 13.379 -3.122 -9.441 1.00 0.00 N ATOM 0 H LYS A 28 7.930 -4.590 -7.392 1.00 0.00 H new ATOM 0 HA LYS A 28 10.262 -5.799 -8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.557 -3.159 -7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.243 -3.519 -7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.078 -3.777 -9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.994 -2.304 -9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.612 -4.827 -9.664 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.808 -4.319 -11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.616 -2.929 -11.418 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.828 -1.902 -10.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.659 -2.217 -9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.076 -3.780 -8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.188 -3.528 -9.953 1.00 0.00 H new ATOM 409 N TYR A 29 10.087 -5.789 -5.306 1.00 0.00 N ATOM 410 CA TYR A 29 10.793 -6.263 -4.078 1.00 0.00 C ATOM 411 C TYR A 29 10.186 -7.585 -3.609 1.00 0.00 C ATOM 412 O TYR A 29 8.982 -7.763 -3.615 1.00 0.00 O ATOM 413 CB TYR A 29 10.650 -5.214 -2.971 1.00 0.00 C ATOM 414 CG TYR A 29 11.108 -3.872 -3.494 1.00 0.00 C ATOM 415 CD1 TYR A 29 10.233 -3.084 -4.251 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.408 -3.424 -3.232 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.658 -1.846 -4.746 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.833 -2.185 -3.726 1.00 0.00 C ATOM 419 CZ TYR A 29 11.958 -1.396 -4.484 1.00 0.00 C ATOM 420 OH TYR A 29 12.378 -0.178 -4.975 1.00 0.00 O ATOM 0 H TYR A 29 9.115 -5.514 -5.167 1.00 0.00 H new ATOM 0 HA TYR A 29 11.848 -6.413 -4.305 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.613 -5.154 -2.642 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.244 -5.501 -2.103 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.230 -3.431 -4.453 1.00 0.00 H new ATOM 0 HD2 TYR A 29 13.083 -4.034 -2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.983 -1.238 -5.330 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.835 -1.837 -3.523 1.00 0.00 H new ATOM 0 HH TYR A 29 13.305 -0.017 -4.701 1.00 0.00 H new ATOM 430 N ASP A 30 11.015 -8.510 -3.202 1.00 0.00 N ATOM 431 CA ASP A 30 10.506 -9.829 -2.725 1.00 0.00 C ATOM 432 C ASP A 30 10.044 -9.726 -1.263 1.00 0.00 C ATOM 433 O ASP A 30 9.458 -10.652 -0.732 1.00 0.00 O ATOM 434 CB ASP A 30 11.623 -10.868 -2.832 1.00 0.00 C ATOM 435 CG ASP A 30 12.022 -11.041 -4.299 1.00 0.00 C ATOM 436 OD1 ASP A 30 12.249 -10.036 -4.953 1.00 0.00 O ATOM 437 OD2 ASP A 30 12.094 -12.174 -4.743 1.00 0.00 O ATOM 0 H ASP A 30 12.030 -8.407 -3.180 1.00 0.00 H new ATOM 0 HA ASP A 30 9.659 -10.128 -3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.485 -10.552 -2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.289 -11.820 -2.421 1.00 0.00 H new ATOM 442 N ALA A 31 10.297 -8.615 -0.605 1.00 0.00 N ATOM 443 CA ALA A 31 9.869 -8.465 0.819 1.00 0.00 C ATOM 444 C ALA A 31 8.350 -8.622 0.923 1.00 0.00 C ATOM 445 O ALA A 31 7.634 -8.455 -0.047 1.00 0.00 O ATOM 446 CB ALA A 31 10.271 -7.079 1.326 1.00 0.00 C ATOM 0 H ALA A 31 10.782 -7.808 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 31 10.353 -9.233 1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.960 -6.967 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.353 -6.966 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.787 -6.315 0.718 1.00 0.00 H new ATOM 452 N ASP A 32 7.857 -8.944 2.091 1.00 0.00 N ATOM 453 CA ASP A 32 6.386 -9.117 2.266 1.00 0.00 C ATOM 454 C ASP A 32 5.753 -7.784 2.672 1.00 0.00 C ATOM 455 O ASP A 32 5.746 -7.418 3.831 1.00 0.00 O ATOM 456 CB ASP A 32 6.117 -10.157 3.354 1.00 0.00 C ATOM 457 CG ASP A 32 6.572 -11.534 2.869 1.00 0.00 C ATOM 458 OD1 ASP A 32 7.757 -11.807 2.952 1.00 0.00 O ATOM 459 OD2 ASP A 32 5.726 -12.291 2.423 1.00 0.00 O ATOM 0 H ASP A 32 8.413 -9.095 2.933 1.00 0.00 H new ATOM 0 HA ASP A 32 5.951 -9.453 1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.647 -9.888 4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.055 -10.178 3.597 1.00 0.00 H new ATOM 464 N VAL A 33 5.218 -7.064 1.721 1.00 0.00 N ATOM 465 CA VAL A 33 4.571 -5.755 2.038 1.00 0.00 C ATOM 466 C VAL A 33 3.076 -5.977 2.272 1.00 0.00 C ATOM 467 O VAL A 33 2.350 -6.366 1.376 1.00 0.00 O ATOM 468 CB VAL A 33 4.773 -4.780 0.871 1.00 0.00 C ATOM 469 CG1 VAL A 33 6.251 -4.392 0.784 1.00 0.00 C ATOM 470 CG2 VAL A 33 4.330 -5.436 -0.449 1.00 0.00 C ATOM 0 H VAL A 33 5.201 -7.326 0.735 1.00 0.00 H new ATOM 0 HA VAL A 33 5.023 -5.333 2.936 1.00 0.00 H new ATOM 0 HB VAL A 33 4.170 -3.888 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.397 -3.699 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.557 -3.914 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.853 -5.286 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.478 -4.735 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.923 -6.333 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.275 -5.704 -0.386 1.00 0.00 H new ATOM 480 N ASN A 34 2.612 -5.744 3.474 1.00 0.00 N ATOM 481 CA ASN A 34 1.164 -5.952 3.773 1.00 0.00 C ATOM 482 C ASN A 34 0.533 -4.638 4.234 1.00 0.00 C ATOM 483 O ASN A 34 1.213 -3.731 4.675 1.00 0.00 O ATOM 484 CB ASN A 34 1.017 -7.001 4.877 1.00 0.00 C ATOM 485 CG ASN A 34 1.786 -8.265 4.488 1.00 0.00 C ATOM 486 OD1 ASN A 34 1.880 -8.598 3.323 1.00 0.00 O ATOM 487 ND2 ASN A 34 2.347 -8.987 5.420 1.00 0.00 N ATOM 0 H ASN A 34 3.174 -5.419 4.261 1.00 0.00 H new ATOM 0 HA ASN A 34 0.658 -6.295 2.870 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.397 -6.607 5.820 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.036 -7.237 5.031 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.864 -9.830 5.170 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.268 -8.708 6.398 1.00 0.00 H new ATOM 494 N LEU A 35 -0.768 -4.537 4.134 1.00 0.00 N ATOM 495 CA LEU A 35 -1.465 -3.291 4.565 1.00 0.00 C ATOM 496 C LEU A 35 -2.433 -3.623 5.704 1.00 0.00 C ATOM 497 O LEU A 35 -3.241 -4.526 5.595 1.00 0.00 O ATOM 498 CB LEU A 35 -2.244 -2.711 3.382 1.00 0.00 C ATOM 499 CG LEU A 35 -2.603 -1.254 3.671 1.00 0.00 C ATOM 500 CD1 LEU A 35 -2.582 -0.455 2.367 1.00 0.00 C ATOM 501 CD2 LEU A 35 -4.002 -1.186 4.290 1.00 0.00 C ATOM 0 H LEU A 35 -1.379 -5.268 3.770 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.734 -2.560 4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.646 -2.776 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.150 -3.292 3.210 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.878 -0.832 4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.838 0.584 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.586 -0.503 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.307 -0.876 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.258 -0.147 4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.728 -1.608 3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.017 -1.755 5.220 1.00 0.00 H new ATOM 513 N GLU A 36 -2.352 -2.903 6.795 1.00 0.00 N ATOM 514 CA GLU A 36 -3.262 -3.177 7.947 1.00 0.00 C ATOM 515 C GLU A 36 -4.273 -2.037 8.088 1.00 0.00 C ATOM 516 O GLU A 36 -3.910 -0.892 8.277 1.00 0.00 O ATOM 517 CB GLU A 36 -2.440 -3.288 9.233 1.00 0.00 C ATOM 518 CG GLU A 36 -3.323 -3.835 10.358 1.00 0.00 C ATOM 519 CD GLU A 36 -2.908 -3.203 11.689 1.00 0.00 C ATOM 520 OE1 GLU A 36 -3.331 -2.089 11.950 1.00 0.00 O ATOM 521 OE2 GLU A 36 -2.176 -3.844 12.423 1.00 0.00 O ATOM 0 H GLU A 36 -1.694 -2.137 6.937 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.793 -4.112 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.585 -3.945 9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.044 -2.311 9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.371 -3.616 10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.229 -4.919 10.414 1.00 0.00 H new ATOM 528 N TYR A 37 -5.542 -2.349 8.001 1.00 0.00 N ATOM 529 CA TYR A 37 -6.592 -1.296 8.133 1.00 0.00 C ATOM 530 C TYR A 37 -7.821 -1.887 8.827 1.00 0.00 C ATOM 531 O TYR A 37 -8.199 -3.017 8.581 1.00 0.00 O ATOM 532 CB TYR A 37 -6.989 -0.792 6.745 1.00 0.00 C ATOM 533 CG TYR A 37 -7.873 0.422 6.896 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.324 1.638 7.316 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.242 0.328 6.622 1.00 0.00 C ATOM 536 CE1 TYR A 37 -8.142 2.762 7.463 1.00 0.00 C ATOM 537 CE2 TYR A 37 -10.063 1.454 6.768 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.513 2.671 7.188 1.00 0.00 C ATOM 539 OH TYR A 37 -10.321 3.781 7.334 1.00 0.00 O ATOM 0 H TYR A 37 -5.896 -3.293 7.843 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.201 -0.467 8.723 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.099 -0.540 6.168 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.514 -1.574 6.197 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.267 1.709 7.527 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.665 -0.611 6.298 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.717 3.700 7.788 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.120 1.383 6.557 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.244 3.547 7.102 1.00 0.00 H new ATOM 549 N ASN A 38 -8.451 -1.128 9.690 1.00 0.00 N ATOM 550 CA ASN A 38 -9.664 -1.632 10.406 1.00 0.00 C ATOM 551 C ASN A 38 -9.292 -2.845 11.263 1.00 0.00 C ATOM 552 O ASN A 38 -10.079 -3.757 11.432 1.00 0.00 O ATOM 553 CB ASN A 38 -10.736 -2.038 9.389 1.00 0.00 C ATOM 554 CG ASN A 38 -12.124 -1.830 9.997 1.00 0.00 C ATOM 555 OD1 ASN A 38 -12.998 -1.099 9.361 1.00 0.00 O flip ATOM 556 ND2 ASN A 38 -12.417 -2.337 11.062 1.00 0.00 N flip ATOM 0 H ASN A 38 -8.175 -0.176 9.930 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.053 -0.840 11.046 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.633 -1.445 8.480 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.605 -3.082 9.104 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -11.734 -2.909 11.560 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -13.346 -2.191 11.458 1.00 0.00 H new ATOM 563 N GLY A 39 -8.101 -2.858 11.805 1.00 0.00 N ATOM 564 CA GLY A 39 -7.670 -4.009 12.656 1.00 0.00 C ATOM 565 C GLY A 39 -7.666 -5.293 11.829 1.00 0.00 C ATOM 566 O GLY A 39 -7.860 -6.377 12.348 1.00 0.00 O ATOM 0 H GLY A 39 -7.406 -2.119 11.695 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.674 -3.822 13.059 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.343 -4.116 13.507 1.00 0.00 H new ATOM 570 N LYS A 40 -7.435 -5.178 10.549 1.00 0.00 N ATOM 571 CA LYS A 40 -7.402 -6.385 9.680 1.00 0.00 C ATOM 572 C LYS A 40 -6.081 -6.410 8.916 1.00 0.00 C ATOM 573 O LYS A 40 -5.562 -5.384 8.521 1.00 0.00 O ATOM 574 CB LYS A 40 -8.561 -6.349 8.685 1.00 0.00 C ATOM 575 CG LYS A 40 -9.874 -6.646 9.413 1.00 0.00 C ATOM 576 CD LYS A 40 -10.799 -7.452 8.495 1.00 0.00 C ATOM 577 CE LYS A 40 -10.274 -8.887 8.352 1.00 0.00 C ATOM 578 NZ LYS A 40 -11.271 -9.837 8.922 1.00 0.00 N ATOM 0 H LYS A 40 -7.267 -4.295 10.067 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.494 -7.277 10.299 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.612 -5.371 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.398 -7.082 7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.676 -7.204 10.328 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.358 -5.714 9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.810 -7.464 8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.857 -6.978 7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.094 -9.118 7.302 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.320 -8.990 8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.917 -10.810 8.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.421 -9.621 9.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.171 -9.744 8.410 1.00 0.00 H new ATOM 592 N THR A 41 -5.535 -7.575 8.712 1.00 0.00 N ATOM 593 CA THR A 41 -4.241 -7.681 7.976 1.00 0.00 C ATOM 594 C THR A 41 -4.480 -8.333 6.612 1.00 0.00 C ATOM 595 O THR A 41 -4.906 -9.470 6.526 1.00 0.00 O ATOM 596 CB THR A 41 -3.260 -8.536 8.786 1.00 0.00 C ATOM 597 OG1 THR A 41 -3.192 -8.040 10.116 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.866 -8.484 8.150 1.00 0.00 C ATOM 0 H THR A 41 -5.929 -8.463 9.024 1.00 0.00 H new ATOM 0 HA THR A 41 -3.823 -6.685 7.834 1.00 0.00 H new ATOM 0 HB THR A 41 -3.608 -9.569 8.794 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.567 -8.586 10.637 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.177 -9.095 8.733 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.917 -8.867 7.131 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.512 -7.453 8.133 1.00 0.00 H new ATOM 606 N VAL A 42 -4.206 -7.621 5.549 1.00 0.00 N ATOM 607 CA VAL A 42 -4.411 -8.190 4.185 1.00 0.00 C ATOM 608 C VAL A 42 -3.108 -8.093 3.392 1.00 0.00 C ATOM 609 O VAL A 42 -2.155 -7.471 3.823 1.00 0.00 O ATOM 610 CB VAL A 42 -5.504 -7.402 3.458 1.00 0.00 C ATOM 611 CG1 VAL A 42 -6.848 -7.632 4.152 1.00 0.00 C ATOM 612 CG2 VAL A 42 -5.163 -5.909 3.488 1.00 0.00 C ATOM 0 H VAL A 42 -3.848 -6.666 5.568 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.711 -9.234 4.272 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.567 -7.740 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.626 -7.071 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.092 -8.694 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.786 -7.295 5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.941 -5.348 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.099 -5.571 4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.206 -5.744 2.993 1.00 0.00 H new ATOM 622 N ASN A 43 -3.061 -8.702 2.234 1.00 0.00 N ATOM 623 CA ASN A 43 -1.825 -8.646 1.402 1.00 0.00 C ATOM 624 C ASN A 43 -1.874 -7.398 0.517 1.00 0.00 C ATOM 625 O ASN A 43 -2.900 -7.071 -0.049 1.00 0.00 O ATOM 626 CB ASN A 43 -1.740 -9.898 0.526 1.00 0.00 C ATOM 627 CG ASN A 43 -0.418 -9.896 -0.246 1.00 0.00 C ATOM 628 OD1 ASN A 43 -0.407 -10.022 -1.455 1.00 0.00 O ATOM 629 ND2 ASN A 43 0.704 -9.756 0.405 1.00 0.00 N ATOM 0 H ASN A 43 -3.829 -9.237 1.829 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.948 -8.602 2.047 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.810 -10.793 1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.579 -9.925 -0.169 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.590 -9.752 -0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.695 -9.650 1.419 1.00 0.00 H new ATOM 636 N LEU A 44 -0.775 -6.699 0.404 1.00 0.00 N ATOM 637 CA LEU A 44 -0.749 -5.465 -0.435 1.00 0.00 C ATOM 638 C LEU A 44 -0.662 -5.832 -1.921 1.00 0.00 C ATOM 639 O LEU A 44 -1.012 -5.042 -2.778 1.00 0.00 O ATOM 640 CB LEU A 44 0.463 -4.613 -0.052 1.00 0.00 C ATOM 641 CG LEU A 44 0.363 -3.243 -0.730 1.00 0.00 C ATOM 642 CD1 LEU A 44 0.900 -2.164 0.211 1.00 0.00 C ATOM 643 CD2 LEU A 44 1.186 -3.250 -2.020 1.00 0.00 C ATOM 0 H LEU A 44 0.108 -6.931 0.858 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.667 -4.903 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.508 -4.492 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.383 -5.114 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.680 -3.032 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.828 -1.190 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.313 -2.157 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.943 -2.375 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.115 -2.275 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.229 -3.463 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.801 -4.017 -2.693 1.00 0.00 H new ATOM 655 N LYS A 45 -0.197 -7.018 -2.236 1.00 0.00 N ATOM 656 CA LYS A 45 -0.086 -7.422 -3.670 1.00 0.00 C ATOM 657 C LYS A 45 -1.321 -8.229 -4.086 1.00 0.00 C ATOM 658 O LYS A 45 -1.260 -9.039 -4.991 1.00 0.00 O ATOM 659 CB LYS A 45 1.170 -8.278 -3.866 1.00 0.00 C ATOM 660 CG LYS A 45 2.415 -7.378 -3.893 1.00 0.00 C ATOM 661 CD LYS A 45 3.213 -7.558 -2.599 1.00 0.00 C ATOM 662 CE LYS A 45 3.910 -8.919 -2.614 1.00 0.00 C ATOM 663 NZ LYS A 45 4.185 -9.351 -1.215 1.00 0.00 N ATOM 0 H LYS A 45 0.109 -7.720 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.019 -6.526 -4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.254 -9.006 -3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.096 -8.840 -4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.037 -7.628 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.119 -6.335 -4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.950 -6.761 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.549 -7.487 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.283 -9.655 -3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.842 -8.856 -3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.077 -9.886 -1.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.263 -8.514 -0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.408 -9.955 -0.879 1.00 0.00 H new ATOM 677 N SER A 46 -2.440 -8.011 -3.439 1.00 0.00 N ATOM 678 CA SER A 46 -3.678 -8.762 -3.804 1.00 0.00 C ATOM 679 C SER A 46 -4.744 -7.781 -4.290 1.00 0.00 C ATOM 680 O SER A 46 -5.031 -6.791 -3.643 1.00 0.00 O ATOM 681 CB SER A 46 -4.204 -9.514 -2.583 1.00 0.00 C ATOM 682 OG SER A 46 -4.948 -10.646 -3.014 1.00 0.00 O ATOM 0 H SER A 46 -2.548 -7.345 -2.674 1.00 0.00 H new ATOM 0 HA SER A 46 -3.446 -9.474 -4.596 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.374 -9.829 -1.950 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.833 -8.858 -1.981 1.00 0.00 H new ATOM 0 HG SER A 46 -5.286 -11.132 -2.233 1.00 0.00 H new ATOM 688 N ILE A 47 -5.335 -8.056 -5.423 1.00 0.00 N ATOM 689 CA ILE A 47 -6.391 -7.151 -5.963 1.00 0.00 C ATOM 690 C ILE A 47 -7.731 -7.515 -5.321 1.00 0.00 C ATOM 691 O ILE A 47 -8.540 -6.656 -5.019 1.00 0.00 O ATOM 692 CB ILE A 47 -6.484 -7.323 -7.482 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.111 -7.063 -8.108 1.00 0.00 C ATOM 694 CG2 ILE A 47 -7.497 -6.328 -8.052 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.352 -8.384 -8.250 1.00 0.00 C ATOM 0 H ILE A 47 -5.130 -8.872 -6.000 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.143 -6.114 -5.735 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.806 -8.339 -7.711 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.229 -6.593 -9.084 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.543 -6.370 -7.487 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.561 -6.453 -9.133 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.475 -6.510 -7.607 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.177 -5.312 -7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.375 -8.196 -8.696 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.221 -8.836 -7.267 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.918 -9.062 -8.889 1.00 0.00 H new ATOM 707 N MET A 48 -7.966 -8.784 -5.111 1.00 0.00 N ATOM 708 CA MET A 48 -9.248 -9.224 -4.485 1.00 0.00 C ATOM 709 C MET A 48 -9.056 -9.403 -2.974 1.00 0.00 C ATOM 710 O MET A 48 -9.805 -10.117 -2.332 1.00 0.00 O ATOM 711 CB MET A 48 -9.673 -10.556 -5.100 1.00 0.00 C ATOM 712 CG MET A 48 -11.154 -10.811 -4.805 1.00 0.00 C ATOM 713 SD MET A 48 -11.446 -12.592 -4.674 1.00 0.00 S ATOM 714 CE MET A 48 -13.227 -12.512 -4.364 1.00 0.00 C ATOM 0 H MET A 48 -7.321 -9.538 -5.348 1.00 0.00 H new ATOM 0 HA MET A 48 -10.015 -8.470 -4.662 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.504 -10.541 -6.177 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.067 -11.365 -4.693 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.441 -10.316 -3.878 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.772 -10.388 -5.597 1.00 0.00 H new ATOM 0 HE1 MET A 48 -13.622 -13.521 -4.249 1.00 0.00 H new ATOM 0 HE2 MET A 48 -13.412 -11.944 -3.452 1.00 0.00 H new ATOM 0 HE3 MET A 48 -13.721 -12.022 -5.203 1.00 0.00 H new ATOM 724 N GLY A 49 -8.061 -8.769 -2.403 1.00 0.00 N ATOM 725 CA GLY A 49 -7.822 -8.908 -0.940 1.00 0.00 C ATOM 726 C GLY A 49 -8.086 -7.571 -0.246 1.00 0.00 C ATOM 727 O GLY A 49 -8.653 -7.523 0.830 1.00 0.00 O ATOM 0 H GLY A 49 -7.404 -8.160 -2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.473 -9.678 -0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.796 -9.227 -0.758 1.00 0.00 H new ATOM 731 N VAL A 50 -7.678 -6.488 -0.855 1.00 0.00 N ATOM 732 CA VAL A 50 -7.899 -5.148 -0.239 1.00 0.00 C ATOM 733 C VAL A 50 -9.248 -4.582 -0.705 1.00 0.00 C ATOM 734 O VAL A 50 -9.872 -3.800 -0.012 1.00 0.00 O ATOM 735 CB VAL A 50 -6.754 -4.209 -0.651 1.00 0.00 C ATOM 736 CG1 VAL A 50 -6.715 -4.069 -2.177 1.00 0.00 C ATOM 737 CG2 VAL A 50 -6.959 -2.828 -0.016 1.00 0.00 C ATOM 0 H VAL A 50 -7.200 -6.475 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.915 -5.237 0.847 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.810 -4.630 -0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.901 -3.402 -2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.556 -5.048 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.661 -3.657 -2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.144 -2.167 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.907 -2.409 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.972 -2.925 1.070 1.00 0.00 H new ATOM 747 N VAL A 51 -9.699 -4.971 -1.872 1.00 0.00 N ATOM 748 CA VAL A 51 -11.004 -4.459 -2.386 1.00 0.00 C ATOM 749 C VAL A 51 -12.130 -4.884 -1.433 1.00 0.00 C ATOM 750 O VAL A 51 -13.113 -4.185 -1.271 1.00 0.00 O ATOM 751 CB VAL A 51 -11.254 -5.025 -3.793 1.00 0.00 C ATOM 752 CG1 VAL A 51 -11.307 -6.556 -3.740 1.00 0.00 C ATOM 753 CG2 VAL A 51 -12.583 -4.489 -4.342 1.00 0.00 C ATOM 0 H VAL A 51 -9.217 -5.623 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.980 -3.371 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.439 -4.714 -4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.485 -6.949 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.359 -6.940 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.115 -6.869 -3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.754 -4.894 -5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -13.397 -4.791 -3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.543 -3.401 -4.394 1.00 0.00 H new ATOM 763 N SER A 52 -11.987 -6.023 -0.806 1.00 0.00 N ATOM 764 CA SER A 52 -13.039 -6.504 0.136 1.00 0.00 C ATOM 765 C SER A 52 -13.168 -5.521 1.302 1.00 0.00 C ATOM 766 O SER A 52 -14.241 -5.321 1.841 1.00 0.00 O ATOM 767 CB SER A 52 -12.649 -7.882 0.673 1.00 0.00 C ATOM 768 OG SER A 52 -11.423 -7.779 1.383 1.00 0.00 O ATOM 0 H SER A 52 -11.183 -6.643 -0.907 1.00 0.00 H new ATOM 0 HA SER A 52 -13.992 -6.573 -0.388 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.431 -8.264 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.548 -8.590 -0.149 1.00 0.00 H new ATOM 0 HG SER A 52 -10.686 -7.659 0.748 1.00 0.00 H new ATOM 774 N LEU A 53 -12.081 -4.906 1.692 1.00 0.00 N ATOM 775 CA LEU A 53 -12.128 -3.932 2.820 1.00 0.00 C ATOM 776 C LEU A 53 -13.018 -2.748 2.434 1.00 0.00 C ATOM 777 O LEU A 53 -13.893 -2.350 3.181 1.00 0.00 O ATOM 778 CB LEU A 53 -10.714 -3.433 3.121 1.00 0.00 C ATOM 779 CG LEU A 53 -9.967 -4.484 3.944 1.00 0.00 C ATOM 780 CD1 LEU A 53 -8.497 -4.084 4.072 1.00 0.00 C ATOM 781 CD2 LEU A 53 -10.592 -4.576 5.338 1.00 0.00 C ATOM 0 H LEU A 53 -11.160 -5.038 1.275 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.537 -4.419 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.180 -3.237 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.758 -2.491 3.668 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.038 -5.451 3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.966 -4.834 4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.051 -4.016 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.425 -3.117 4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.061 -5.325 5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.521 -3.608 5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.640 -4.861 5.249 1.00 0.00 H new ATOM 793 N GLY A 54 -12.801 -2.186 1.272 1.00 0.00 N ATOM 794 CA GLY A 54 -13.632 -1.029 0.826 1.00 0.00 C ATOM 795 C GLY A 54 -13.264 0.213 1.642 1.00 0.00 C ATOM 796 O GLY A 54 -14.112 0.835 2.253 1.00 0.00 O ATOM 0 H GLY A 54 -12.082 -2.480 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.471 -0.840 -0.235 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.690 -1.259 0.952 1.00 0.00 H new ATOM 800 N ILE A 55 -12.007 0.575 1.651 1.00 0.00 N ATOM 801 CA ILE A 55 -11.572 1.773 2.418 1.00 0.00 C ATOM 802 C ILE A 55 -12.043 3.032 1.694 1.00 0.00 C ATOM 803 O ILE A 55 -12.080 3.088 0.480 1.00 0.00 O ATOM 804 CB ILE A 55 -10.047 1.782 2.529 1.00 0.00 C ATOM 805 CG1 ILE A 55 -9.574 0.457 3.130 1.00 0.00 C ATOM 806 CG2 ILE A 55 -9.605 2.935 3.432 1.00 0.00 C ATOM 807 CD1 ILE A 55 -8.071 0.296 2.900 1.00 0.00 C ATOM 0 H ILE A 55 -11.261 0.087 1.156 1.00 0.00 H new ATOM 0 HA ILE A 55 -12.004 1.746 3.418 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.612 1.911 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.793 0.432 4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.113 -0.374 2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.518 2.940 3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.943 3.880 3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.039 2.808 4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.736 -0.649 3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.864 0.302 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.540 1.120 3.377 1.00 0.00 H new ATOM 819 N ALA A 56 -12.407 4.038 2.438 1.00 0.00 N ATOM 820 CA ALA A 56 -12.884 5.308 1.816 1.00 0.00 C ATOM 821 C ALA A 56 -11.810 6.388 1.967 1.00 0.00 C ATOM 822 O ALA A 56 -10.790 6.178 2.596 1.00 0.00 O ATOM 823 CB ALA A 56 -14.167 5.765 2.512 1.00 0.00 C ATOM 0 H ALA A 56 -12.395 4.037 3.458 1.00 0.00 H new ATOM 0 HA ALA A 56 -13.083 5.141 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.516 6.693 2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.933 4.997 2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.967 5.931 3.571 1.00 0.00 H new ATOM 829 N LYS A 57 -12.034 7.541 1.390 1.00 0.00 N ATOM 830 CA LYS A 57 -11.034 8.645 1.490 1.00 0.00 C ATOM 831 C LYS A 57 -10.883 9.073 2.952 1.00 0.00 C ATOM 832 O LYS A 57 -11.697 8.740 3.793 1.00 0.00 O ATOM 833 CB LYS A 57 -11.507 9.839 0.656 1.00 0.00 C ATOM 834 CG LYS A 57 -12.916 10.254 1.100 1.00 0.00 C ATOM 835 CD LYS A 57 -13.025 11.783 1.109 1.00 0.00 C ATOM 836 CE LYS A 57 -13.894 12.230 2.287 1.00 0.00 C ATOM 837 NZ LYS A 57 -13.769 13.705 2.463 1.00 0.00 N ATOM 0 H LYS A 57 -12.871 7.766 0.852 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.072 8.295 1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.817 10.674 0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.511 9.577 -0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.660 9.831 0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.126 9.859 2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.033 12.228 1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.458 12.132 0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.935 11.961 2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.584 11.717 3.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.359 14.010 3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.776 13.949 2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.085 14.186 1.597 1.00 0.00 H new ATOM 851 N GLY A 58 -9.845 9.812 3.256 1.00 0.00 N ATOM 852 CA GLY A 58 -9.628 10.274 4.660 1.00 0.00 C ATOM 853 C GLY A 58 -9.451 9.064 5.580 1.00 0.00 C ATOM 854 O GLY A 58 -10.132 8.933 6.580 1.00 0.00 O ATOM 0 H GLY A 58 -9.136 10.116 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.747 10.913 4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.476 10.874 4.991 1.00 0.00 H new ATOM 858 N ALA A 59 -8.543 8.181 5.249 1.00 0.00 N ATOM 859 CA ALA A 59 -8.317 6.977 6.102 1.00 0.00 C ATOM 860 C ALA A 59 -6.836 6.879 6.471 1.00 0.00 C ATOM 861 O ALA A 59 -5.989 7.484 5.842 1.00 0.00 O ATOM 862 CB ALA A 59 -8.735 5.723 5.331 1.00 0.00 C ATOM 0 H ALA A 59 -7.948 8.243 4.423 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.911 7.061 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.571 4.842 5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.791 5.791 5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.141 5.641 4.421 1.00 0.00 H new ATOM 868 N GLU A 60 -6.520 6.116 7.487 1.00 0.00 N ATOM 869 CA GLU A 60 -5.095 5.966 7.906 1.00 0.00 C ATOM 870 C GLU A 60 -4.710 4.486 7.858 1.00 0.00 C ATOM 871 O GLU A 60 -5.313 3.658 8.515 1.00 0.00 O ATOM 872 CB GLU A 60 -4.920 6.495 9.331 1.00 0.00 C ATOM 873 CG GLU A 60 -5.435 7.934 9.412 1.00 0.00 C ATOM 874 CD GLU A 60 -6.874 7.935 9.933 1.00 0.00 C ATOM 875 OE1 GLU A 60 -7.774 7.740 9.132 1.00 0.00 O ATOM 876 OE2 GLU A 60 -7.051 8.131 11.125 1.00 0.00 O ATOM 0 H GLU A 60 -7.191 5.589 8.046 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.454 6.534 7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.464 5.863 10.033 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.869 6.458 9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.798 8.522 10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.393 8.402 8.428 1.00 0.00 H new ATOM 883 N ILE A 61 -3.710 4.150 7.084 1.00 0.00 N ATOM 884 CA ILE A 61 -3.278 2.724 6.982 1.00 0.00 C ATOM 885 C ILE A 61 -1.814 2.600 7.404 1.00 0.00 C ATOM 886 O ILE A 61 -1.077 3.568 7.411 1.00 0.00 O ATOM 887 CB ILE A 61 -3.432 2.243 5.537 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.729 3.223 4.594 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.917 2.169 5.177 1.00 0.00 C ATOM 890 CD1 ILE A 61 -2.747 2.666 3.170 1.00 0.00 C ATOM 0 H ILE A 61 -3.172 4.805 6.516 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.899 2.113 7.637 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.984 1.255 5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.227 4.192 4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.701 3.383 4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.025 1.826 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.419 1.471 5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.366 3.157 5.280 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.246 3.365 2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.229 1.707 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.779 2.529 2.846 1.00 0.00 H new ATOM 902 N THR A 62 -1.389 1.412 7.754 1.00 0.00 N ATOM 903 CA THR A 62 0.028 1.210 8.176 1.00 0.00 C ATOM 904 C THR A 62 0.629 0.037 7.396 1.00 0.00 C ATOM 905 O THR A 62 0.162 -1.082 7.488 1.00 0.00 O ATOM 906 CB THR A 62 0.075 0.903 9.674 1.00 0.00 C ATOM 907 OG1 THR A 62 -0.702 1.863 10.377 1.00 0.00 O ATOM 908 CG2 THR A 62 1.523 0.957 10.163 1.00 0.00 C ATOM 0 H THR A 62 -1.966 0.571 7.765 1.00 0.00 H new ATOM 0 HA THR A 62 0.601 2.115 7.972 1.00 0.00 H new ATOM 0 HB THR A 62 -0.329 -0.093 9.854 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.674 1.667 11.337 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.555 0.738 11.230 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.117 0.219 9.623 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.930 1.952 9.984 1.00 0.00 H new ATOM 916 N ILE A 63 1.662 0.288 6.632 1.00 0.00 N ATOM 917 CA ILE A 63 2.299 -0.808 5.844 1.00 0.00 C ATOM 918 C ILE A 63 3.494 -1.368 6.621 1.00 0.00 C ATOM 919 O ILE A 63 4.059 -0.703 7.470 1.00 0.00 O ATOM 920 CB ILE A 63 2.777 -0.258 4.498 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.603 0.409 3.776 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.318 -1.403 3.638 1.00 0.00 C ATOM 923 CD1 ILE A 63 2.107 1.091 2.502 1.00 0.00 C ATOM 0 H ILE A 63 2.092 1.206 6.521 1.00 0.00 H new ATOM 0 HA ILE A 63 1.572 -1.602 5.674 1.00 0.00 H new ATOM 0 HB ILE A 63 3.567 0.474 4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.845 -0.334 3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.129 1.141 4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.658 -1.009 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.153 -1.880 4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.529 -2.136 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.271 1.566 1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.849 1.846 2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.561 0.348 1.847 1.00 0.00 H new ATOM 935 N SER A 64 3.883 -2.584 6.331 1.00 0.00 N ATOM 936 CA SER A 64 5.042 -3.197 7.043 1.00 0.00 C ATOM 937 C SER A 64 5.750 -4.180 6.107 1.00 0.00 C ATOM 938 O SER A 64 5.187 -5.181 5.706 1.00 0.00 O ATOM 939 CB SER A 64 4.546 -3.940 8.283 1.00 0.00 C ATOM 940 OG SER A 64 3.809 -5.087 7.880 1.00 0.00 O ATOM 0 H SER A 64 3.445 -3.180 5.629 1.00 0.00 H new ATOM 0 HA SER A 64 5.738 -2.415 7.345 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.390 -4.236 8.905 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.919 -3.284 8.887 1.00 0.00 H new ATOM 0 HG SER A 64 3.951 -5.248 6.924 1.00 0.00 H new ATOM 946 N ALA A 65 6.978 -3.898 5.758 1.00 0.00 N ATOM 947 CA ALA A 65 7.733 -4.807 4.847 1.00 0.00 C ATOM 948 C ALA A 65 8.678 -5.687 5.670 1.00 0.00 C ATOM 949 O ALA A 65 9.436 -5.199 6.487 1.00 0.00 O ATOM 950 CB ALA A 65 8.549 -3.974 3.856 1.00 0.00 C ATOM 0 H ALA A 65 7.492 -3.073 6.067 1.00 0.00 H new ATOM 0 HA ALA A 65 7.031 -5.438 4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.101 -4.638 3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.878 -3.347 3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.250 -3.343 4.402 1.00 0.00 H new ATOM 956 N SER A 66 8.637 -6.978 5.458 1.00 0.00 N ATOM 957 CA SER A 66 9.528 -7.896 6.223 1.00 0.00 C ATOM 958 C SER A 66 10.103 -8.953 5.276 1.00 0.00 C ATOM 959 O SER A 66 9.434 -9.904 4.917 1.00 0.00 O ATOM 960 CB SER A 66 8.726 -8.583 7.328 1.00 0.00 C ATOM 961 OG SER A 66 7.749 -7.680 7.830 1.00 0.00 O ATOM 0 H SER A 66 8.022 -7.435 4.785 1.00 0.00 H new ATOM 0 HA SER A 66 10.342 -7.325 6.669 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.243 -9.480 6.939 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.390 -8.901 8.131 1.00 0.00 H new ATOM 0 HG SER A 66 7.232 -8.118 8.538 1.00 0.00 H new ATOM 967 N GLY A 67 11.337 -8.792 4.874 1.00 0.00 N ATOM 968 CA GLY A 67 11.965 -9.781 3.950 1.00 0.00 C ATOM 969 C GLY A 67 13.456 -9.472 3.808 1.00 0.00 C ATOM 970 O GLY A 67 14.147 -9.248 4.785 1.00 0.00 O ATOM 0 H GLY A 67 11.938 -8.015 5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.827 -10.792 4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.480 -9.742 2.975 1.00 0.00 H new ATOM 974 N ALA A 68 13.956 -9.457 2.598 1.00 0.00 N ATOM 975 CA ALA A 68 15.403 -9.161 2.382 1.00 0.00 C ATOM 976 C ALA A 68 15.570 -7.692 1.987 1.00 0.00 C ATOM 977 O ALA A 68 16.327 -6.959 2.596 1.00 0.00 O ATOM 978 CB ALA A 68 15.945 -10.056 1.266 1.00 0.00 C ATOM 0 H ALA A 68 13.421 -9.638 1.748 1.00 0.00 H new ATOM 0 HA ALA A 68 15.955 -9.354 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.002 -9.840 1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.826 -11.102 1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.394 -9.864 0.346 1.00 0.00 H new ATOM 984 N ASP A 69 14.865 -7.258 0.972 1.00 0.00 N ATOM 985 CA ASP A 69 14.973 -5.835 0.531 1.00 0.00 C ATOM 986 C ASP A 69 13.809 -5.031 1.117 1.00 0.00 C ATOM 987 O ASP A 69 13.229 -4.189 0.456 1.00 0.00 O ATOM 988 CB ASP A 69 14.932 -5.763 -1.001 1.00 0.00 C ATOM 989 CG ASP A 69 13.728 -6.549 -1.531 1.00 0.00 C ATOM 990 OD1 ASP A 69 12.725 -6.601 -0.839 1.00 0.00 O ATOM 991 OD2 ASP A 69 13.832 -7.085 -2.622 1.00 0.00 O ATOM 0 H ASP A 69 14.218 -7.830 0.429 1.00 0.00 H new ATOM 0 HA ASP A 69 15.916 -5.417 0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.868 -4.724 -1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.854 -6.170 -1.417 1.00 0.00 H new ATOM 996 N GLU A 70 13.464 -5.288 2.353 1.00 0.00 N ATOM 997 CA GLU A 70 12.338 -4.547 2.995 1.00 0.00 C ATOM 998 C GLU A 70 12.703 -3.067 3.139 1.00 0.00 C ATOM 999 O GLU A 70 11.842 -2.210 3.159 1.00 0.00 O ATOM 1000 CB GLU A 70 12.052 -5.141 4.379 1.00 0.00 C ATOM 1001 CG GLU A 70 13.350 -5.230 5.184 1.00 0.00 C ATOM 1002 CD GLU A 70 13.050 -4.994 6.665 1.00 0.00 C ATOM 1003 OE1 GLU A 70 12.551 -5.908 7.301 1.00 0.00 O ATOM 1004 OE2 GLU A 70 13.323 -3.903 7.138 1.00 0.00 O ATOM 0 H GLU A 70 13.916 -5.983 2.947 1.00 0.00 H new ATOM 0 HA GLU A 70 11.450 -4.638 2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.327 -4.522 4.908 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.609 -6.132 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.809 -6.209 5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.065 -4.490 4.824 1.00 0.00 H new ATOM 1011 N ASN A 71 13.973 -2.764 3.237 1.00 0.00 N ATOM 1012 CA ASN A 71 14.398 -1.339 3.380 1.00 0.00 C ATOM 1013 C ASN A 71 14.153 -0.596 2.066 1.00 0.00 C ATOM 1014 O ASN A 71 13.662 0.516 2.056 1.00 0.00 O ATOM 1015 CB ASN A 71 15.885 -1.279 3.728 1.00 0.00 C ATOM 1016 CG ASN A 71 16.055 -1.293 5.248 1.00 0.00 C ATOM 1017 OD1 ASN A 71 16.348 -2.318 5.830 1.00 0.00 O ATOM 1018 ND2 ASN A 71 15.881 -0.187 5.919 1.00 0.00 N ATOM 0 H ASN A 71 14.734 -3.443 3.224 1.00 0.00 H new ATOM 0 HA ASN A 71 13.820 -0.870 4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.407 -2.127 3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.331 -0.377 3.310 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.991 -0.183 6.933 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.635 0.673 5.429 1.00 0.00 H new ATOM 1025 N ASP A 72 14.495 -1.202 0.958 1.00 0.00 N ATOM 1026 CA ASP A 72 14.286 -0.533 -0.361 1.00 0.00 C ATOM 1027 C ASP A 72 12.804 -0.586 -0.755 1.00 0.00 C ATOM 1028 O ASP A 72 12.363 0.156 -1.611 1.00 0.00 O ATOM 1029 CB ASP A 72 15.124 -1.246 -1.426 1.00 0.00 C ATOM 1030 CG ASP A 72 16.592 -1.263 -0.993 1.00 0.00 C ATOM 1031 OD1 ASP A 72 17.117 -0.201 -0.704 1.00 0.00 O ATOM 1032 OD2 ASP A 72 17.166 -2.340 -0.957 1.00 0.00 O ATOM 0 H ASP A 72 14.910 -2.132 0.910 1.00 0.00 H new ATOM 0 HA ASP A 72 14.593 0.510 -0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.763 -2.265 -1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 72 15.022 -0.737 -2.385 1.00 0.00 H new ATOM 1037 N ALA A 73 12.034 -1.458 -0.147 1.00 0.00 N ATOM 1038 CA ALA A 73 10.584 -1.558 -0.498 1.00 0.00 C ATOM 1039 C ALA A 73 9.779 -0.466 0.217 1.00 0.00 C ATOM 1040 O ALA A 73 8.858 0.096 -0.346 1.00 0.00 O ATOM 1041 CB ALA A 73 10.057 -2.931 -0.075 1.00 0.00 C ATOM 0 H ALA A 73 12.349 -2.104 0.577 1.00 0.00 H new ATOM 0 HA ALA A 73 10.473 -1.428 -1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.000 -3.009 -0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.614 -3.710 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.182 -3.053 1.001 1.00 0.00 H new ATOM 1047 N LEU A 74 10.101 -0.176 1.455 1.00 0.00 N ATOM 1048 CA LEU A 74 9.331 0.865 2.205 1.00 0.00 C ATOM 1049 C LEU A 74 9.665 2.267 1.680 1.00 0.00 C ATOM 1050 O LEU A 74 8.791 3.104 1.554 1.00 0.00 O ATOM 1051 CB LEU A 74 9.649 0.777 3.704 1.00 0.00 C ATOM 1052 CG LEU A 74 11.144 1.008 3.944 1.00 0.00 C ATOM 1053 CD1 LEU A 74 11.410 2.504 4.184 1.00 0.00 C ATOM 1054 CD2 LEU A 74 11.587 0.201 5.169 1.00 0.00 C ATOM 0 H LEU A 74 10.861 -0.613 1.976 1.00 0.00 H new ATOM 0 HA LEU A 74 8.267 0.683 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.067 1.519 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.359 -0.201 4.088 1.00 0.00 H new ATOM 0 HG LEU A 74 11.707 0.685 3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.475 2.661 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.094 3.074 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.850 2.838 5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.651 0.361 5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.022 0.526 6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.404 -0.859 4.992 1.00 0.00 H new ATOM 1066 N ASN A 75 10.913 2.535 1.375 1.00 0.00 N ATOM 1067 CA ASN A 75 11.276 3.894 0.863 1.00 0.00 C ATOM 1068 C ASN A 75 10.906 4.008 -0.617 1.00 0.00 C ATOM 1069 O ASN A 75 10.633 5.086 -1.111 1.00 0.00 O ATOM 1070 CB ASN A 75 12.778 4.161 1.043 1.00 0.00 C ATOM 1071 CG ASN A 75 13.608 2.967 0.568 1.00 0.00 C ATOM 1072 OD1 ASN A 75 13.241 2.282 -0.364 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.731 2.694 1.176 1.00 0.00 N ATOM 0 H ASN A 75 11.689 1.878 1.458 1.00 0.00 H new ATOM 0 HA ASN A 75 10.720 4.637 1.435 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.062 5.052 0.483 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.992 4.363 2.093 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.299 1.905 0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.040 3.270 1.959 1.00 0.00 H new ATOM 1080 N ALA A 76 10.889 2.907 -1.323 1.00 0.00 N ATOM 1081 CA ALA A 76 10.531 2.946 -2.773 1.00 0.00 C ATOM 1082 C ALA A 76 9.008 3.004 -2.932 1.00 0.00 C ATOM 1083 O ALA A 76 8.503 3.462 -3.939 1.00 0.00 O ATOM 1084 CB ALA A 76 11.065 1.693 -3.465 1.00 0.00 C ATOM 0 H ALA A 76 11.108 1.980 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 76 10.975 3.832 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.803 1.722 -4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.149 1.654 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.624 0.808 -3.006 1.00 0.00 H new ATOM 1090 N LEU A 77 8.273 2.547 -1.946 1.00 0.00 N ATOM 1091 CA LEU A 77 6.785 2.580 -2.041 1.00 0.00 C ATOM 1092 C LEU A 77 6.292 3.977 -1.664 1.00 0.00 C ATOM 1093 O LEU A 77 5.270 4.431 -2.139 1.00 0.00 O ATOM 1094 CB LEU A 77 6.187 1.550 -1.080 1.00 0.00 C ATOM 1095 CG LEU A 77 6.213 0.167 -1.733 1.00 0.00 C ATOM 1096 CD1 LEU A 77 6.021 -0.907 -0.661 1.00 0.00 C ATOM 1097 CD2 LEU A 77 5.084 0.069 -2.760 1.00 0.00 C ATOM 0 H LEU A 77 8.643 2.153 -1.081 1.00 0.00 H new ATOM 0 HA LEU A 77 6.476 2.343 -3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.753 1.535 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.163 1.825 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 77 7.172 0.017 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.039 -1.893 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.824 -0.837 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.062 -0.758 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.101 -0.916 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.126 0.219 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.220 0.835 -3.524 1.00 0.00 H new ATOM 1109 N GLU A 78 7.018 4.656 -0.815 1.00 0.00 N ATOM 1110 CA GLU A 78 6.611 6.027 -0.399 1.00 0.00 C ATOM 1111 C GLU A 78 6.805 6.989 -1.577 1.00 0.00 C ATOM 1112 O GLU A 78 5.969 7.833 -1.842 1.00 0.00 O ATOM 1113 CB GLU A 78 7.481 6.462 0.785 1.00 0.00 C ATOM 1114 CG GLU A 78 7.083 7.871 1.241 1.00 0.00 C ATOM 1115 CD GLU A 78 7.496 8.072 2.700 1.00 0.00 C ATOM 1116 OE1 GLU A 78 8.686 8.180 2.949 1.00 0.00 O ATOM 1117 OE2 GLU A 78 6.615 8.114 3.543 1.00 0.00 O ATOM 0 H GLU A 78 7.881 4.316 -0.390 1.00 0.00 H new ATOM 0 HA GLU A 78 5.563 6.037 -0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.365 5.758 1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.533 6.447 0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.564 8.618 0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.007 8.009 1.134 1.00 0.00 H new ATOM 1124 N GLU A 79 7.902 6.868 -2.281 1.00 0.00 N ATOM 1125 CA GLU A 79 8.156 7.773 -3.442 1.00 0.00 C ATOM 1126 C GLU A 79 7.218 7.413 -4.599 1.00 0.00 C ATOM 1127 O GLU A 79 6.889 8.248 -5.420 1.00 0.00 O ATOM 1128 CB GLU A 79 9.610 7.631 -3.901 1.00 0.00 C ATOM 1129 CG GLU A 79 9.938 6.155 -4.139 1.00 0.00 C ATOM 1130 CD GLU A 79 10.968 6.035 -5.264 1.00 0.00 C ATOM 1131 OE1 GLU A 79 10.629 6.365 -6.389 1.00 0.00 O ATOM 1132 OE2 GLU A 79 12.078 5.615 -4.982 1.00 0.00 O ATOM 0 H GLU A 79 8.634 6.180 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 79 7.971 8.803 -3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.769 8.200 -4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.281 8.045 -3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.328 5.706 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.032 5.608 -4.401 1.00 0.00 H new ATOM 1139 N THR A 80 6.787 6.178 -4.670 1.00 0.00 N ATOM 1140 CA THR A 80 5.871 5.762 -5.775 1.00 0.00 C ATOM 1141 C THR A 80 4.448 6.235 -5.466 1.00 0.00 C ATOM 1142 O THR A 80 3.668 6.500 -6.361 1.00 0.00 O ATOM 1143 CB THR A 80 5.885 4.236 -5.903 1.00 0.00 C ATOM 1144 OG1 THR A 80 7.224 3.790 -6.066 1.00 0.00 O ATOM 1145 CG2 THR A 80 5.054 3.814 -7.116 1.00 0.00 C ATOM 0 H THR A 80 7.031 5.440 -4.010 1.00 0.00 H new ATOM 0 HA THR A 80 6.206 6.209 -6.711 1.00 0.00 H new ATOM 0 HB THR A 80 5.459 3.792 -5.003 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.519 3.334 -5.250 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.066 2.728 -7.205 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.027 4.157 -6.991 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.477 4.256 -8.018 1.00 0.00 H new ATOM 1153 N MET A 81 4.106 6.340 -4.208 1.00 0.00 N ATOM 1154 CA MET A 81 2.735 6.792 -3.835 1.00 0.00 C ATOM 1155 C MET A 81 2.555 8.258 -4.231 1.00 0.00 C ATOM 1156 O MET A 81 1.539 8.640 -4.780 1.00 0.00 O ATOM 1157 CB MET A 81 2.543 6.650 -2.323 1.00 0.00 C ATOM 1158 CG MET A 81 2.101 5.223 -1.994 1.00 0.00 C ATOM 1159 SD MET A 81 0.308 5.085 -2.204 1.00 0.00 S ATOM 1160 CE MET A 81 -0.153 5.475 -0.499 1.00 0.00 C ATOM 0 H MET A 81 4.720 6.131 -3.421 1.00 0.00 H new ATOM 0 HA MET A 81 1.999 6.180 -4.356 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.473 6.882 -1.805 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.797 7.363 -1.972 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.610 4.513 -2.646 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.379 4.971 -0.970 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.238 5.446 -0.400 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.293 4.743 0.175 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.208 6.471 -0.243 1.00 0.00 H new ATOM 1170 N LYS A 82 3.532 9.081 -3.951 1.00 0.00 N ATOM 1171 CA LYS A 82 3.427 10.529 -4.299 1.00 0.00 C ATOM 1172 C LYS A 82 3.564 10.729 -5.815 1.00 0.00 C ATOM 1173 O LYS A 82 3.177 11.753 -6.344 1.00 0.00 O ATOM 1174 CB LYS A 82 4.538 11.301 -3.584 1.00 0.00 C ATOM 1175 CG LYS A 82 4.133 11.547 -2.130 1.00 0.00 C ATOM 1176 CD LYS A 82 5.304 12.179 -1.374 1.00 0.00 C ATOM 1177 CE LYS A 82 4.766 13.139 -0.309 1.00 0.00 C ATOM 1178 NZ LYS A 82 5.896 13.668 0.506 1.00 0.00 N ATOM 0 H LYS A 82 4.403 8.810 -3.494 1.00 0.00 H new ATOM 0 HA LYS A 82 2.451 10.898 -3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.470 10.737 -3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.718 12.250 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.264 12.203 -2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.846 10.608 -1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.910 11.403 -0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.952 12.715 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.231 13.961 -0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.052 12.623 0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.528 14.319 1.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.388 12.878 0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.561 14.176 -0.111 1.00 0.00 H new ATOM 1192 N SER A 83 4.117 9.767 -6.516 1.00 0.00 N ATOM 1193 CA SER A 83 4.285 9.910 -7.994 1.00 0.00 C ATOM 1194 C SER A 83 2.921 10.113 -8.662 1.00 0.00 C ATOM 1195 O SER A 83 2.817 10.755 -9.692 1.00 0.00 O ATOM 1196 CB SER A 83 4.943 8.648 -8.552 1.00 0.00 C ATOM 1197 OG SER A 83 3.993 7.591 -8.574 1.00 0.00 O ATOM 0 H SER A 83 4.459 8.889 -6.126 1.00 0.00 H new ATOM 0 HA SER A 83 4.913 10.776 -8.201 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.319 8.835 -9.558 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.800 8.369 -7.938 1.00 0.00 H new ATOM 0 HG SER A 83 3.686 7.408 -7.662 1.00 0.00 H new ATOM 1203 N GLU A 84 1.878 9.571 -8.087 1.00 0.00 N ATOM 1204 CA GLU A 84 0.519 9.728 -8.687 1.00 0.00 C ATOM 1205 C GLU A 84 -0.383 10.545 -7.750 1.00 0.00 C ATOM 1206 O GLU A 84 -1.400 11.067 -8.168 1.00 0.00 O ATOM 1207 CB GLU A 84 -0.099 8.346 -8.910 1.00 0.00 C ATOM 1208 CG GLU A 84 0.290 7.831 -10.298 1.00 0.00 C ATOM 1209 CD GLU A 84 -0.827 6.940 -10.847 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -1.338 6.131 -10.090 1.00 0.00 O ATOM 1211 OE2 GLU A 84 -1.150 7.081 -12.014 1.00 0.00 O ATOM 0 H GLU A 84 1.909 9.025 -7.226 1.00 0.00 H new ATOM 0 HA GLU A 84 0.608 10.252 -9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.247 7.653 -8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.184 8.403 -8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.465 8.669 -10.972 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.222 7.269 -10.240 1.00 0.00 H new ATOM 1218 N GLY A 85 -0.028 10.654 -6.491 1.00 0.00 N ATOM 1219 CA GLY A 85 -0.871 11.430 -5.538 1.00 0.00 C ATOM 1220 C GLY A 85 -1.938 10.505 -4.953 1.00 0.00 C ATOM 1221 O GLY A 85 -3.121 10.777 -5.032 1.00 0.00 O ATOM 0 H GLY A 85 0.810 10.237 -6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.254 11.845 -4.741 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.340 12.271 -6.049 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.521 9.411 -4.371 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.496 8.450 -3.780 1.00 0.00 C ATOM 1227 C LEU A 86 -2.395 8.473 -2.250 1.00 0.00 C ATOM 1228 O LEU A 86 -2.825 7.549 -1.585 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.175 7.043 -4.287 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.215 7.027 -5.815 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -1.235 5.976 -6.342 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -3.631 6.684 -6.285 1.00 0.00 C ATOM 0 H LEU A 86 -0.541 9.141 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.507 8.733 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.190 6.735 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.894 6.328 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.933 8.009 -6.195 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.264 5.965 -7.432 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.226 6.219 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.516 4.994 -5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.660 6.673 -7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.913 5.702 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.330 7.433 -5.911 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.831 9.514 -1.688 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.705 9.589 -0.203 1.00 0.00 C ATOM 1246 C GLY A 87 -0.283 10.008 0.170 1.00 0.00 C ATOM 1247 O GLY A 87 0.507 10.373 -0.680 1.00 0.00 O ATOM 0 H GLY A 87 -1.453 10.314 -2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.423 10.305 0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.938 8.621 0.241 1.00 0.00 H new ATOM 1251 N GLU A 88 0.043 9.958 1.435 1.00 0.00 N ATOM 1252 CA GLU A 88 1.414 10.352 1.876 1.00 0.00 C ATOM 1253 C GLU A 88 1.573 10.065 3.370 1.00 0.00 C ATOM 1254 O GLU A 88 0.790 10.591 4.142 1.00 0.00 O ATOM 1255 CB GLU A 88 1.623 11.847 1.612 1.00 0.00 C ATOM 1256 CG GLU A 88 0.524 12.653 2.310 1.00 0.00 C ATOM 1257 CD GLU A 88 0.227 13.920 1.504 1.00 0.00 C ATOM 1258 OE1 GLU A 88 1.131 14.568 1.015 1.00 0.00 O ATOM 1259 OE2 GLU A 88 -1.011 14.301 1.345 1.00 0.00 O ATOM 1260 OXT GLU A 88 2.477 9.321 3.717 1.00 0.00 O ATOM 0 H GLU A 88 -0.583 9.661 2.184 1.00 0.00 H new ATOM 0 HA GLU A 88 2.155 9.779 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.602 12.157 1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.606 12.043 0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.379 12.050 2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.838 12.917 3.320 1.00 0.00 H new TER 1267 GLU A 88