USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 375 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 Single : A 1 GLY N :NH3+ -142:sc= 0.00435 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 14:sc= 0.251 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -2.29! C(o=-2.3!,f=-4.6!) USER MOD Single : A 11 GLN : amide:sc= -0.211 K(o=-0.21,f=-0.77) USER MOD Single : A 12 MET CE :methyl 139:sc= -1.58 (180deg=-3.44!) USER MOD Single : A 14 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.95) USER MOD Single : A 18 ASN : amide:sc= -2.46! C(o=-2.5!,f=-3!) USER MOD Single : A 21 CYS SG : rot 180:sc= 0.153 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 25 MET CE :methyl -165:sc= 0 (180deg=-0.346) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc=-0.000806 (180deg=-0.095) USER MOD Single : A 32 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.28) USER MOD Single : A 33 THR OG1 : rot -21:sc= 0.515 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0305 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 149:sc= -0.486 (180deg=-1.73!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.135 23.004 19.395 1.00 0.00 N ATOM 2 CA GLY A 1 -3.916 21.668 18.872 1.00 0.00 C ATOM 3 C GLY A 1 -4.215 21.569 17.390 1.00 0.00 C ATOM 4 O GLY A 1 -3.866 22.463 16.618 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.401 23.226 20.098 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.090 23.693 18.617 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.071 23.051 19.846 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.881 21.376 19.051 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.544 20.961 19.414 1.00 0.00 H new ATOM 8 N SER A 2 -4.862 20.479 16.989 1.00 0.00 N ATOM 9 CA SER A 2 -5.203 20.264 15.588 1.00 0.00 C ATOM 10 C SER A 2 -6.254 19.167 15.447 1.00 0.00 C ATOM 11 O SER A 2 -6.221 18.165 16.160 1.00 0.00 O ATOM 12 CB SER A 2 -3.952 19.894 14.788 1.00 0.00 C ATOM 13 OG SER A 2 -3.266 18.809 15.388 1.00 0.00 O ATOM 0 H SER A 2 -5.160 19.731 17.615 1.00 0.00 H new ATOM 0 HA SER A 2 -5.617 21.192 15.193 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.233 19.631 13.768 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.289 20.757 14.724 1.00 0.00 H new ATOM 0 HG SER A 2 -2.472 18.591 14.857 1.00 0.00 H new ATOM 19 N SER A 3 -7.186 19.365 14.520 1.00 0.00 N ATOM 20 CA SER A 3 -8.250 18.396 14.287 1.00 0.00 C ATOM 21 C SER A 3 -8.923 18.641 12.940 1.00 0.00 C ATOM 22 O SER A 3 -9.659 19.612 12.769 1.00 0.00 O ATOM 23 CB SER A 3 -9.288 18.466 15.408 1.00 0.00 C ATOM 24 OG SER A 3 -10.408 17.647 15.119 1.00 0.00 O ATOM 0 H SER A 3 -7.226 20.188 13.918 1.00 0.00 H new ATOM 0 HA SER A 3 -7.805 17.401 14.276 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.835 18.149 16.347 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.613 19.498 15.543 1.00 0.00 H new ATOM 0 HG SER A 3 -11.056 17.708 15.852 1.00 0.00 H new ATOM 30 N GLY A 4 -8.663 17.753 11.985 1.00 0.00 N ATOM 31 CA GLY A 4 -9.251 17.891 10.665 1.00 0.00 C ATOM 32 C GLY A 4 -8.641 16.936 9.657 1.00 0.00 C ATOM 33 O GLY A 4 -9.357 16.295 8.888 1.00 0.00 O ATOM 0 H GLY A 4 -8.056 16.941 12.102 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.324 17.712 10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.119 18.915 10.317 1.00 0.00 H new ATOM 37 N SER A 5 -7.315 16.843 9.659 1.00 0.00 N ATOM 38 CA SER A 5 -6.609 15.964 8.734 1.00 0.00 C ATOM 39 C SER A 5 -6.585 14.531 9.258 1.00 0.00 C ATOM 40 O SER A 5 -6.213 14.284 10.405 1.00 0.00 O ATOM 41 CB SER A 5 -5.180 16.463 8.515 1.00 0.00 C ATOM 42 OG SER A 5 -4.378 16.238 9.662 1.00 0.00 O ATOM 0 H SER A 5 -6.708 17.365 10.291 1.00 0.00 H new ATOM 0 HA SER A 5 -7.140 15.975 7.782 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.742 15.955 7.656 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.195 17.528 8.282 1.00 0.00 H new ATOM 0 HG SER A 5 -4.835 15.613 10.263 1.00 0.00 H new ATOM 48 N SER A 6 -6.985 13.591 8.408 1.00 0.00 N ATOM 49 CA SER A 6 -7.013 12.182 8.785 1.00 0.00 C ATOM 50 C SER A 6 -5.610 11.583 8.754 1.00 0.00 C ATOM 51 O SER A 6 -4.658 12.225 8.311 1.00 0.00 O ATOM 52 CB SER A 6 -7.934 11.400 7.846 1.00 0.00 C ATOM 53 OG SER A 6 -8.325 10.168 8.426 1.00 0.00 O ATOM 0 H SER A 6 -7.294 13.779 7.454 1.00 0.00 H new ATOM 0 HA SER A 6 -7.397 12.111 9.803 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.818 11.996 7.619 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.423 11.215 6.901 1.00 0.00 H new ATOM 0 HG SER A 6 -8.914 9.688 7.808 1.00 0.00 H new ATOM 59 N GLY A 7 -5.490 10.347 9.229 1.00 0.00 N ATOM 60 CA GLY A 7 -4.201 9.681 9.248 1.00 0.00 C ATOM 61 C GLY A 7 -3.675 9.398 7.855 1.00 0.00 C ATOM 62 O GLY A 7 -3.494 10.315 7.053 1.00 0.00 O ATOM 0 H GLY A 7 -6.263 9.795 9.601 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.483 10.301 9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.288 8.744 9.798 1.00 0.00 H new ATOM 66 N VAL A 8 -3.426 8.125 7.565 1.00 0.00 N ATOM 67 CA VAL A 8 -2.916 7.723 6.259 1.00 0.00 C ATOM 68 C VAL A 8 -3.758 8.316 5.135 1.00 0.00 C ATOM 69 O VAL A 8 -4.957 8.538 5.294 1.00 0.00 O ATOM 70 CB VAL A 8 -2.891 6.190 6.114 1.00 0.00 C ATOM 71 CG1 VAL A 8 -2.184 5.787 4.829 1.00 0.00 C ATOM 72 CG2 VAL A 8 -2.224 5.551 7.323 1.00 0.00 C ATOM 0 H VAL A 8 -3.569 7.354 8.217 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.897 8.103 6.185 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.919 5.830 6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.176 4.700 4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.710 6.214 3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.159 6.157 4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.215 4.468 7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.200 5.915 7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.778 5.812 8.225 1.00 0.00 H new ATOM 82 N ASN A 9 -3.120 8.570 3.997 1.00 0.00 N ATOM 83 CA ASN A 9 -3.810 9.137 2.844 1.00 0.00 C ATOM 84 C ASN A 9 -4.810 8.142 2.264 1.00 0.00 C ATOM 85 O ASN A 9 -4.426 7.107 1.719 1.00 0.00 O ATOM 86 CB ASN A 9 -2.801 9.548 1.770 1.00 0.00 C ATOM 87 CG ASN A 9 -3.384 10.530 0.773 1.00 0.00 C ATOM 88 OD1 ASN A 9 -4.511 10.363 0.307 1.00 0.00 O ATOM 89 ND2 ASN A 9 -2.617 11.563 0.442 1.00 0.00 N ATOM 0 H ASN A 9 -2.127 8.392 3.849 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.355 10.020 3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.928 9.994 2.247 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.456 8.660 1.241 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -2.956 12.258 -0.223 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -1.689 11.662 0.853 1.00 0.00 H new ATOM 96 N ARG A 10 -6.094 8.462 2.386 1.00 0.00 N ATOM 97 CA ARG A 10 -7.150 7.596 1.875 1.00 0.00 C ATOM 98 C ARG A 10 -6.943 7.304 0.391 1.00 0.00 C ATOM 99 O ARG A 10 -6.662 6.169 0.006 1.00 0.00 O ATOM 100 CB ARG A 10 -8.519 8.242 2.092 1.00 0.00 C ATOM 101 CG ARG A 10 -9.684 7.296 1.850 1.00 0.00 C ATOM 102 CD ARG A 10 -11.012 7.944 2.211 1.00 0.00 C ATOM 103 NE ARG A 10 -11.372 7.711 3.607 1.00 0.00 N ATOM 104 CZ ARG A 10 -11.791 6.539 4.072 1.00 0.00 C ATOM 105 NH1 ARG A 10 -11.901 5.499 3.257 1.00 0.00 N ATOM 106 NH2 ARG A 10 -12.101 6.406 5.355 1.00 0.00 N ATOM 0 H ARG A 10 -6.428 9.315 2.834 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.110 6.654 2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.575 8.620 3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.615 9.101 1.428 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.698 6.995 0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.547 6.390 2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.954 9.017 2.025 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.796 7.550 1.564 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.298 8.490 4.261 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.664 5.597 2.270 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.223 4.601 3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.018 7.204 5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.423 5.506 5.711 1.00 0.00 H new ATOM 120 N GLN A 11 -7.083 8.336 -0.435 1.00 0.00 N ATOM 121 CA GLN A 11 -6.913 8.189 -1.875 1.00 0.00 C ATOM 122 C GLN A 11 -5.768 7.233 -2.193 1.00 0.00 C ATOM 123 O GLN A 11 -5.972 6.188 -2.810 1.00 0.00 O ATOM 124 CB GLN A 11 -6.651 9.551 -2.521 1.00 0.00 C ATOM 125 CG GLN A 11 -7.906 10.389 -2.703 1.00 0.00 C ATOM 126 CD GLN A 11 -8.851 9.807 -3.735 1.00 0.00 C ATOM 127 OE1 GLN A 11 -9.651 8.921 -3.432 1.00 0.00 O ATOM 128 NE2 GLN A 11 -8.765 10.303 -4.964 1.00 0.00 N ATOM 0 H GLN A 11 -7.314 9.282 -0.132 1.00 0.00 H new ATOM 0 HA GLN A 11 -7.834 7.773 -2.284 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.940 10.104 -1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.182 9.399 -3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.424 10.473 -1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.624 11.398 -3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.088 11.037 -5.172 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.376 9.950 -5.700 1.00 0.00 H new ATOM 137 N MET A 12 -4.563 7.600 -1.769 1.00 0.00 N ATOM 138 CA MET A 12 -3.385 6.774 -2.008 1.00 0.00 C ATOM 139 C MET A 12 -3.673 5.310 -1.688 1.00 0.00 C ATOM 140 O MET A 12 -3.343 4.417 -2.469 1.00 0.00 O ATOM 141 CB MET A 12 -2.208 7.270 -1.167 1.00 0.00 C ATOM 142 CG MET A 12 -1.828 8.716 -1.446 1.00 0.00 C ATOM 143 SD MET A 12 -0.353 9.232 -0.548 1.00 0.00 S ATOM 144 CE MET A 12 0.918 8.345 -1.446 1.00 0.00 C ATOM 0 H MET A 12 -4.377 8.463 -1.259 1.00 0.00 H new ATOM 0 HA MET A 12 -3.126 6.853 -3.064 1.00 0.00 H new ATOM 0 HB2 MET A 12 -2.457 7.166 -0.111 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.344 6.633 -1.355 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.661 8.844 -2.515 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.660 9.365 -1.174 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.787 8.989 -1.578 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.207 7.456 -0.885 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.534 8.049 -2.422 1.00 0.00 H new ATOM 154 N LEU A 13 -4.288 5.072 -0.535 1.00 0.00 N ATOM 155 CA LEU A 13 -4.620 3.716 -0.111 1.00 0.00 C ATOM 156 C LEU A 13 -5.539 3.039 -1.123 1.00 0.00 C ATOM 157 O LEU A 13 -5.175 2.030 -1.727 1.00 0.00 O ATOM 158 CB LEU A 13 -5.288 3.740 1.265 1.00 0.00 C ATOM 159 CG LEU A 13 -5.713 2.384 1.829 1.00 0.00 C ATOM 160 CD1 LEU A 13 -7.010 1.921 1.183 1.00 0.00 C ATOM 161 CD2 LEU A 13 -4.614 1.352 1.623 1.00 0.00 C ATOM 0 H LEU A 13 -4.567 5.800 0.123 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.694 3.144 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.601 4.206 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.169 4.379 1.208 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.883 2.494 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.297 0.954 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.796 2.649 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.867 1.827 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.934 0.393 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.412 1.244 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.708 1.679 2.133 1.00 0.00 H new ATOM 173 N GLN A 14 -6.729 3.601 -1.303 1.00 0.00 N ATOM 174 CA GLN A 14 -7.699 3.052 -2.243 1.00 0.00 C ATOM 175 C GLN A 14 -7.020 2.634 -3.543 1.00 0.00 C ATOM 176 O GLN A 14 -7.491 1.734 -4.238 1.00 0.00 O ATOM 177 CB GLN A 14 -8.797 4.077 -2.533 1.00 0.00 C ATOM 178 CG GLN A 14 -9.839 4.180 -1.432 1.00 0.00 C ATOM 179 CD GLN A 14 -10.281 2.825 -0.917 1.00 0.00 C ATOM 180 OE1 GLN A 14 -10.096 2.504 0.258 1.00 0.00 O ATOM 181 NE2 GLN A 14 -10.868 2.020 -1.794 1.00 0.00 N ATOM 0 H GLN A 14 -7.045 4.436 -0.810 1.00 0.00 H new ATOM 0 HA GLN A 14 -8.148 2.169 -1.789 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.339 5.055 -2.681 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.292 3.812 -3.467 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.432 4.763 -0.606 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.707 4.722 -1.808 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.001 2.326 -2.758 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.186 1.095 -1.504 1.00 0.00 H new ATOM 190 N GLU A 15 -5.912 3.294 -3.865 1.00 0.00 N ATOM 191 CA GLU A 15 -5.170 2.990 -5.083 1.00 0.00 C ATOM 192 C GLU A 15 -4.287 1.761 -4.890 1.00 0.00 C ATOM 193 O GLU A 15 -4.464 0.744 -5.561 1.00 0.00 O ATOM 194 CB GLU A 15 -4.312 4.188 -5.496 1.00 0.00 C ATOM 195 CG GLU A 15 -5.028 5.160 -6.419 1.00 0.00 C ATOM 196 CD GLU A 15 -4.871 4.798 -7.883 1.00 0.00 C ATOM 197 OE1 GLU A 15 -3.725 4.541 -8.310 1.00 0.00 O ATOM 198 OE2 GLU A 15 -5.891 4.772 -8.601 1.00 0.00 O ATOM 0 H GLU A 15 -5.509 4.042 -3.300 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.890 2.778 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.991 4.720 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.411 3.826 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.088 5.182 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.640 6.165 -6.254 1.00 0.00 H new ATOM 205 N LEU A 16 -3.335 1.863 -3.969 1.00 0.00 N ATOM 206 CA LEU A 16 -2.422 0.760 -3.687 1.00 0.00 C ATOM 207 C LEU A 16 -3.192 -0.531 -3.429 1.00 0.00 C ATOM 208 O LEU A 16 -2.750 -1.616 -3.808 1.00 0.00 O ATOM 209 CB LEU A 16 -1.545 1.094 -2.478 1.00 0.00 C ATOM 210 CG LEU A 16 -2.105 0.696 -1.112 1.00 0.00 C ATOM 211 CD1 LEU A 16 -1.773 -0.756 -0.802 1.00 0.00 C ATOM 212 CD2 LEU A 16 -1.562 1.612 -0.026 1.00 0.00 C ATOM 0 H LEU A 16 -3.175 2.698 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.786 0.615 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.579 0.605 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.361 2.168 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.189 0.802 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.179 -1.022 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.210 -1.400 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.691 -0.888 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.971 1.314 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.475 1.538 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.850 2.641 -0.240 1.00 0.00 H new ATOM 224 N VAL A 17 -4.348 -0.407 -2.784 1.00 0.00 N ATOM 225 CA VAL A 17 -5.181 -1.563 -2.478 1.00 0.00 C ATOM 226 C VAL A 17 -5.878 -2.085 -3.730 1.00 0.00 C ATOM 227 O VAL A 17 -6.092 -3.287 -3.878 1.00 0.00 O ATOM 228 CB VAL A 17 -6.244 -1.225 -1.416 1.00 0.00 C ATOM 229 CG1 VAL A 17 -7.450 -0.558 -2.061 1.00 0.00 C ATOM 230 CG2 VAL A 17 -6.658 -2.477 -0.659 1.00 0.00 C ATOM 0 H VAL A 17 -4.729 0.483 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.519 -2.334 -2.085 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.810 -0.524 -0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.191 -0.327 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.137 0.363 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.888 -1.232 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.410 -2.219 0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.074 -3.203 -1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.788 -2.907 -0.164 1.00 0.00 H new ATOM 240 N ASN A 18 -6.228 -1.171 -4.629 1.00 0.00 N ATOM 241 CA ASN A 18 -6.901 -1.539 -5.870 1.00 0.00 C ATOM 242 C ASN A 18 -6.001 -2.413 -6.739 1.00 0.00 C ATOM 243 O ASN A 18 -6.474 -3.316 -7.428 1.00 0.00 O ATOM 244 CB ASN A 18 -7.311 -0.284 -6.643 1.00 0.00 C ATOM 245 CG ASN A 18 -8.699 0.198 -6.268 1.00 0.00 C ATOM 246 OD1 ASN A 18 -9.581 -0.600 -5.951 1.00 0.00 O ATOM 247 ND2 ASN A 18 -8.899 1.511 -6.303 1.00 0.00 N ATOM 0 H ASN A 18 -6.057 -0.171 -4.522 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.794 -2.109 -5.614 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.589 0.510 -6.451 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.278 -0.492 -7.712 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.813 1.894 -6.061 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.139 2.136 -6.572 1.00 0.00 H new ATOM 254 N ALA A 19 -4.702 -2.138 -6.699 1.00 0.00 N ATOM 255 CA ALA A 19 -3.735 -2.900 -7.480 1.00 0.00 C ATOM 256 C ALA A 19 -3.797 -4.384 -7.132 1.00 0.00 C ATOM 257 O ALA A 19 -3.926 -5.233 -8.013 1.00 0.00 O ATOM 258 CB ALA A 19 -2.331 -2.361 -7.254 1.00 0.00 C ATOM 0 H ALA A 19 -4.294 -1.393 -6.134 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.988 -2.789 -8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.620 -2.940 -7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.289 -1.315 -7.559 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.076 -2.441 -6.197 1.00 0.00 H new ATOM 264 N GLY A 20 -3.702 -4.689 -5.841 1.00 0.00 N ATOM 265 CA GLY A 20 -3.748 -6.071 -5.400 1.00 0.00 C ATOM 266 C GLY A 20 -3.178 -6.254 -4.008 1.00 0.00 C ATOM 267 O GLY A 20 -2.519 -7.256 -3.727 1.00 0.00 O ATOM 0 H GLY A 20 -3.594 -4.004 -5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.781 -6.420 -5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.191 -6.692 -6.102 1.00 0.00 H new ATOM 271 N CYS A 21 -3.431 -5.286 -3.135 1.00 0.00 N ATOM 272 CA CYS A 21 -2.935 -5.344 -1.764 1.00 0.00 C ATOM 273 C CYS A 21 -4.091 -5.412 -0.771 1.00 0.00 C ATOM 274 O CYS A 21 -5.258 -5.341 -1.155 1.00 0.00 O ATOM 275 CB CYS A 21 -2.060 -4.126 -1.464 1.00 0.00 C ATOM 276 SG CYS A 21 -0.806 -4.413 -0.194 1.00 0.00 S ATOM 0 H CYS A 21 -3.976 -4.452 -3.351 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.335 -6.248 -1.658 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.566 -3.812 -2.383 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.699 -3.302 -1.148 1.00 0.00 H new ATOM 0 HG CYS A 21 -0.116 -3.327 -0.012 1.00 0.00 H new ATOM 282 N ASP A 22 -3.758 -5.552 0.507 1.00 0.00 N ATOM 283 CA ASP A 22 -4.767 -5.631 1.557 1.00 0.00 C ATOM 284 C ASP A 22 -5.243 -4.238 1.959 1.00 0.00 C ATOM 285 O ASP A 22 -4.680 -3.232 1.528 1.00 0.00 O ATOM 286 CB ASP A 22 -4.209 -6.365 2.777 1.00 0.00 C ATOM 287 CG ASP A 22 -3.806 -7.791 2.460 1.00 0.00 C ATOM 288 OD1 ASP A 22 -4.667 -8.560 1.984 1.00 0.00 O ATOM 289 OD2 ASP A 22 -2.628 -8.138 2.687 1.00 0.00 O ATOM 0 H ASP A 22 -2.796 -5.613 0.841 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.619 -6.188 1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.344 -5.823 3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.958 -6.370 3.569 1.00 0.00 H new ATOM 294 N GLN A 23 -6.282 -4.189 2.786 1.00 0.00 N ATOM 295 CA GLN A 23 -6.834 -2.920 3.244 1.00 0.00 C ATOM 296 C GLN A 23 -6.166 -2.472 4.540 1.00 0.00 C ATOM 297 O GLN A 23 -5.867 -1.292 4.719 1.00 0.00 O ATOM 298 CB GLN A 23 -8.345 -3.041 3.451 1.00 0.00 C ATOM 299 CG GLN A 23 -9.071 -1.706 3.427 1.00 0.00 C ATOM 300 CD GLN A 23 -10.493 -1.805 3.945 1.00 0.00 C ATOM 301 OE1 GLN A 23 -11.166 -2.818 3.752 1.00 0.00 O ATOM 302 NE2 GLN A 23 -10.957 -0.752 4.607 1.00 0.00 N ATOM 0 H GLN A 23 -6.758 -5.013 3.152 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.639 -2.170 2.477 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.759 -3.684 2.675 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.534 -3.531 4.406 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.518 -0.985 4.030 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.086 -1.323 2.407 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.364 0.067 4.743 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.907 -0.762 4.979 1.00 0.00 H new ATOM 311 N GLU A 24 -5.936 -3.422 5.440 1.00 0.00 N ATOM 312 CA GLU A 24 -5.304 -3.124 6.720 1.00 0.00 C ATOM 313 C GLU A 24 -3.792 -2.992 6.563 1.00 0.00 C ATOM 314 O GLU A 24 -3.236 -1.903 6.698 1.00 0.00 O ATOM 315 CB GLU A 24 -5.628 -4.216 7.741 1.00 0.00 C ATOM 316 CG GLU A 24 -7.059 -4.721 7.659 1.00 0.00 C ATOM 317 CD GLU A 24 -7.580 -5.221 8.992 1.00 0.00 C ATOM 318 OE1 GLU A 24 -7.776 -4.388 9.902 1.00 0.00 O ATOM 319 OE2 GLU A 24 -7.790 -6.444 9.127 1.00 0.00 O ATOM 0 H GLU A 24 -6.178 -4.404 5.307 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.699 -2.173 7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.947 -5.054 7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.445 -3.830 8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.703 -3.918 7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.114 -5.526 6.927 1.00 0.00 H new ATOM 326 N MET A 25 -3.133 -4.111 6.278 1.00 0.00 N ATOM 327 CA MET A 25 -1.685 -4.121 6.102 1.00 0.00 C ATOM 328 C MET A 25 -1.223 -2.888 5.333 1.00 0.00 C ATOM 329 O MET A 25 -0.318 -2.177 5.768 1.00 0.00 O ATOM 330 CB MET A 25 -1.249 -5.389 5.366 1.00 0.00 C ATOM 331 CG MET A 25 0.260 -5.535 5.249 1.00 0.00 C ATOM 332 SD MET A 25 0.774 -7.242 4.979 1.00 0.00 S ATOM 333 CE MET A 25 2.504 -7.151 5.431 1.00 0.00 C ATOM 0 H MET A 25 -3.578 -5.022 6.164 1.00 0.00 H new ATOM 0 HA MET A 25 -1.223 -4.106 7.089 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.651 -6.258 5.887 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.684 -5.387 4.367 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.618 -4.917 4.425 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.729 -5.158 6.158 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.021 -8.040 5.071 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.951 -6.264 4.982 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.594 -7.093 6.516 1.00 0.00 H new ATOM 343 N ALA A 26 -1.849 -2.641 4.187 1.00 0.00 N ATOM 344 CA ALA A 26 -1.503 -1.493 3.359 1.00 0.00 C ATOM 345 C ALA A 26 -1.395 -0.223 4.197 1.00 0.00 C ATOM 346 O ALA A 26 -0.304 0.309 4.399 1.00 0.00 O ATOM 347 CB ALA A 26 -2.530 -1.311 2.252 1.00 0.00 C ATOM 0 H ALA A 26 -2.599 -3.221 3.811 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.529 -1.683 2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.258 -0.450 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.555 -2.204 1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.514 -1.148 2.692 1.00 0.00 H new ATOM 353 N GLY A 27 -2.535 0.258 4.683 1.00 0.00 N ATOM 354 CA GLY A 27 -2.547 1.462 5.493 1.00 0.00 C ATOM 355 C GLY A 27 -1.325 1.574 6.382 1.00 0.00 C ATOM 356 O GLY A 27 -0.657 2.608 6.404 1.00 0.00 O ATOM 0 H GLY A 27 -3.451 -0.165 4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.600 2.334 4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.445 1.471 6.111 1.00 0.00 H new ATOM 360 N ARG A 28 -1.031 0.508 7.119 1.00 0.00 N ATOM 361 CA ARG A 28 0.117 0.492 8.017 1.00 0.00 C ATOM 362 C ARG A 28 1.394 0.875 7.273 1.00 0.00 C ATOM 363 O ARG A 28 2.029 1.881 7.587 1.00 0.00 O ATOM 364 CB ARG A 28 0.278 -0.891 8.650 1.00 0.00 C ATOM 365 CG ARG A 28 -0.630 -1.123 9.846 1.00 0.00 C ATOM 366 CD ARG A 28 -0.494 -2.539 10.383 1.00 0.00 C ATOM 367 NE ARG A 28 -1.218 -2.721 11.638 1.00 0.00 N ATOM 368 CZ ARG A 28 -0.757 -2.318 12.817 1.00 0.00 C ATOM 369 NH1 ARG A 28 0.419 -1.712 12.901 1.00 0.00 N ATOM 370 NH2 ARG A 28 -1.474 -2.519 13.915 1.00 0.00 N ATOM 0 H ARG A 28 -1.572 -0.356 7.112 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.059 1.225 8.804 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.074 -1.652 7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.315 -1.020 8.961 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.386 -0.409 10.633 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.665 -0.940 9.559 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.870 -3.245 9.642 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.560 -2.769 10.536 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.127 -3.183 11.608 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.973 -1.554 12.059 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.770 -1.404 13.808 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.380 -2.983 13.854 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.119 -2.209 14.820 1.00 0.00 H new ATOM 384 N ALA A 29 1.763 0.065 6.287 1.00 0.00 N ATOM 385 CA ALA A 29 2.962 0.319 5.498 1.00 0.00 C ATOM 386 C ALA A 29 2.990 1.756 4.990 1.00 0.00 C ATOM 387 O ALA A 29 4.036 2.408 4.996 1.00 0.00 O ATOM 388 CB ALA A 29 3.044 -0.657 4.333 1.00 0.00 C ATOM 0 H ALA A 29 1.249 -0.773 6.015 1.00 0.00 H new ATOM 0 HA ALA A 29 3.829 0.172 6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.944 -0.456 3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.079 -1.677 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.167 -0.538 3.696 1.00 0.00 H new ATOM 394 N LEU A 30 1.836 2.246 4.549 1.00 0.00 N ATOM 395 CA LEU A 30 1.729 3.607 4.036 1.00 0.00 C ATOM 396 C LEU A 30 2.248 4.616 5.055 1.00 0.00 C ATOM 397 O LEU A 30 3.133 5.417 4.757 1.00 0.00 O ATOM 398 CB LEU A 30 0.275 3.925 3.681 1.00 0.00 C ATOM 399 CG LEU A 30 -0.153 3.598 2.250 1.00 0.00 C ATOM 400 CD1 LEU A 30 -1.643 3.845 2.069 1.00 0.00 C ATOM 401 CD2 LEU A 30 0.651 4.418 1.251 1.00 0.00 C ATOM 0 H LEU A 30 0.962 1.721 4.537 1.00 0.00 H new ATOM 0 HA LEU A 30 2.341 3.680 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.373 3.379 4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.103 4.987 3.857 1.00 0.00 H new ATOM 0 HG LEU A 30 0.045 2.542 2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.929 3.607 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.203 3.213 2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.866 4.892 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.332 4.172 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.486 5.480 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.711 4.191 1.363 1.00 0.00 H new ATOM 413 N LYS A 31 1.692 4.570 6.262 1.00 0.00 N ATOM 414 CA LYS A 31 2.100 5.477 7.328 1.00 0.00 C ATOM 415 C LYS A 31 3.589 5.334 7.623 1.00 0.00 C ATOM 416 O LYS A 31 4.320 6.323 7.667 1.00 0.00 O ATOM 417 CB LYS A 31 1.289 5.203 8.596 1.00 0.00 C ATOM 418 CG LYS A 31 1.334 6.339 9.604 1.00 0.00 C ATOM 419 CD LYS A 31 0.212 7.336 9.370 1.00 0.00 C ATOM 420 CE LYS A 31 -1.039 6.961 10.150 1.00 0.00 C ATOM 421 NZ LYS A 31 -0.886 7.230 11.607 1.00 0.00 N ATOM 0 H LYS A 31 0.957 3.914 6.526 1.00 0.00 H new ATOM 0 HA LYS A 31 1.910 6.498 6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.252 5.014 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.664 4.295 9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.258 5.934 10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.295 6.849 9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.541 8.332 9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.021 7.380 8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.890 7.523 9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.259 5.905 9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.820 7.207 12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.274 6.504 12.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.457 8.167 11.744 1.00 0.00 H new ATOM 435 N GLN A 32 4.032 4.096 7.824 1.00 0.00 N ATOM 436 CA GLN A 32 5.435 3.826 8.114 1.00 0.00 C ATOM 437 C GLN A 32 6.347 4.681 7.240 1.00 0.00 C ATOM 438 O GLN A 32 7.197 5.416 7.744 1.00 0.00 O ATOM 439 CB GLN A 32 5.746 2.343 7.898 1.00 0.00 C ATOM 440 CG GLN A 32 7.111 1.926 8.419 1.00 0.00 C ATOM 441 CD GLN A 32 7.220 2.034 9.927 1.00 0.00 C ATOM 442 OE1 GLN A 32 6.324 1.608 10.657 1.00 0.00 O ATOM 443 NE2 GLN A 32 8.320 2.606 10.402 1.00 0.00 N ATOM 0 H GLN A 32 3.440 3.266 7.791 1.00 0.00 H new ATOM 0 HA GLN A 32 5.619 4.081 9.158 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.980 1.744 8.390 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.689 2.120 6.833 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.312 0.898 8.117 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.877 2.549 7.958 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.037 2.945 9.760 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.448 2.707 11.409 1.00 0.00 H new ATOM 452 N THR A 33 6.166 4.579 5.927 1.00 0.00 N ATOM 453 CA THR A 33 6.973 5.342 4.983 1.00 0.00 C ATOM 454 C THR A 33 6.623 6.824 5.033 1.00 0.00 C ATOM 455 O THR A 33 7.503 7.682 4.972 1.00 0.00 O ATOM 456 CB THR A 33 6.785 4.830 3.542 1.00 0.00 C ATOM 457 OG1 THR A 33 5.406 4.919 3.166 1.00 0.00 O ATOM 458 CG2 THR A 33 7.259 3.390 3.414 1.00 0.00 C ATOM 0 H THR A 33 5.468 3.975 5.493 1.00 0.00 H new ATOM 0 HA THR A 33 8.014 5.208 5.276 1.00 0.00 H new ATOM 0 HB THR A 33 7.383 5.454 2.877 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.849 4.959 3.971 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.117 3.050 2.388 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.316 3.331 3.673 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.684 2.756 4.089 1.00 0.00 H new ATOM 466 N GLY A 34 5.331 7.120 5.145 1.00 0.00 N ATOM 467 CA GLY A 34 4.888 8.501 5.202 1.00 0.00 C ATOM 468 C GLY A 34 4.121 8.915 3.962 1.00 0.00 C ATOM 469 O GLY A 34 4.512 9.853 3.267 1.00 0.00 O ATOM 0 H GLY A 34 4.584 6.428 5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.257 8.641 6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.753 9.152 5.325 1.00 0.00 H new ATOM 473 N SER A 35 3.027 8.214 3.684 1.00 0.00 N ATOM 474 CA SER A 35 2.206 8.511 2.516 1.00 0.00 C ATOM 475 C SER A 35 3.065 8.606 1.258 1.00 0.00 C ATOM 476 O SER A 35 2.957 9.563 0.491 1.00 0.00 O ATOM 477 CB SER A 35 1.440 9.819 2.724 1.00 0.00 C ATOM 478 OG SER A 35 0.475 9.686 3.753 1.00 0.00 O ATOM 0 H SER A 35 2.689 7.437 4.251 1.00 0.00 H new ATOM 0 HA SER A 35 1.493 7.697 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.138 10.617 2.977 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.948 10.108 1.795 1.00 0.00 H new ATOM 0 HG SER A 35 0.000 10.536 3.868 1.00 0.00 H new ATOM 484 N ARG A 36 3.917 7.607 1.054 1.00 0.00 N ATOM 485 CA ARG A 36 4.795 7.577 -0.109 1.00 0.00 C ATOM 486 C ARG A 36 4.064 7.026 -1.329 1.00 0.00 C ATOM 487 O ARG A 36 3.051 6.339 -1.200 1.00 0.00 O ATOM 488 CB ARG A 36 6.034 6.728 0.182 1.00 0.00 C ATOM 489 CG ARG A 36 7.199 7.009 -0.753 1.00 0.00 C ATOM 490 CD ARG A 36 7.708 8.433 -0.597 1.00 0.00 C ATOM 491 NE ARG A 36 8.965 8.646 -1.310 1.00 0.00 N ATOM 492 CZ ARG A 36 9.807 9.635 -1.036 1.00 0.00 C ATOM 493 NH1 ARG A 36 9.529 10.498 -0.068 1.00 0.00 N ATOM 494 NH2 ARG A 36 10.931 9.763 -1.729 1.00 0.00 N ATOM 0 H ARG A 36 4.018 6.807 1.679 1.00 0.00 H new ATOM 0 HA ARG A 36 5.105 8.600 -0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.353 6.906 1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.767 5.674 0.109 1.00 0.00 H new ATOM 0 HG2 ARG A 36 8.008 6.308 -0.549 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.887 6.844 -1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.957 9.129 -0.970 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.849 8.654 0.461 1.00 0.00 H new ATOM 0 HE ARG A 36 9.209 7.999 -2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.666 10.403 0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.178 11.257 0.140 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.149 9.101 -2.474 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.577 10.523 -1.517 1.00 0.00 H new ATOM 508 N SER A 37 4.583 7.334 -2.513 1.00 0.00 N ATOM 509 CA SER A 37 3.977 6.874 -3.757 1.00 0.00 C ATOM 510 C SER A 37 3.369 5.485 -3.584 1.00 0.00 C ATOM 511 O SER A 37 3.988 4.593 -3.002 1.00 0.00 O ATOM 512 CB SER A 37 5.018 6.851 -4.878 1.00 0.00 C ATOM 513 OG SER A 37 4.586 6.041 -5.958 1.00 0.00 O ATOM 0 H SER A 37 5.422 7.900 -2.637 1.00 0.00 H new ATOM 0 HA SER A 37 3.181 7.570 -4.024 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.200 7.866 -5.231 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.965 6.473 -4.492 1.00 0.00 H new ATOM 0 HG SER A 37 5.268 6.044 -6.662 1.00 0.00 H new ATOM 519 N ILE A 38 2.154 5.310 -4.093 1.00 0.00 N ATOM 520 CA ILE A 38 1.463 4.031 -3.995 1.00 0.00 C ATOM 521 C ILE A 38 2.432 2.867 -4.170 1.00 0.00 C ATOM 522 O ILE A 38 2.215 1.781 -3.635 1.00 0.00 O ATOM 523 CB ILE A 38 0.344 3.914 -5.048 1.00 0.00 C ATOM 524 CG1 ILE A 38 -0.711 5.000 -4.825 1.00 0.00 C ATOM 525 CG2 ILE A 38 -0.291 2.533 -4.995 1.00 0.00 C ATOM 526 CD1 ILE A 38 -1.489 5.352 -6.073 1.00 0.00 C ATOM 0 H ILE A 38 1.628 6.038 -4.577 1.00 0.00 H new ATOM 0 HA ILE A 38 1.022 3.987 -2.999 1.00 0.00 H new ATOM 0 HB ILE A 38 0.780 4.054 -6.037 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.407 4.667 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.222 5.898 -4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.079 2.466 -5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.467 1.776 -5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.716 2.366 -4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.218 6.128 -5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.804 5.716 -6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.006 4.466 -6.441 1.00 0.00 H new ATOM 538 N GLU A 39 3.504 3.104 -4.920 1.00 0.00 N ATOM 539 CA GLU A 39 4.508 2.075 -5.164 1.00 0.00 C ATOM 540 C GLU A 39 5.294 1.770 -3.892 1.00 0.00 C ATOM 541 O GLU A 39 5.267 0.649 -3.386 1.00 0.00 O ATOM 542 CB GLU A 39 5.463 2.516 -6.275 1.00 0.00 C ATOM 543 CG GLU A 39 4.801 2.628 -7.638 1.00 0.00 C ATOM 544 CD GLU A 39 5.797 2.543 -8.778 1.00 0.00 C ATOM 545 OE1 GLU A 39 6.905 3.103 -8.641 1.00 0.00 O ATOM 546 OE2 GLU A 39 5.469 1.917 -9.808 1.00 0.00 O ATOM 0 H GLU A 39 3.699 3.999 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 39 3.993 1.167 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.895 3.481 -6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.287 1.805 -6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.062 1.834 -7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.263 3.574 -7.700 1.00 0.00 H new ATOM 553 N ALA A 40 5.995 2.778 -3.382 1.00 0.00 N ATOM 554 CA ALA A 40 6.788 2.619 -2.169 1.00 0.00 C ATOM 555 C ALA A 40 6.098 1.687 -1.180 1.00 0.00 C ATOM 556 O ALA A 40 6.630 0.634 -0.830 1.00 0.00 O ATOM 557 CB ALA A 40 7.048 3.974 -1.528 1.00 0.00 C ATOM 0 H ALA A 40 6.030 3.712 -3.790 1.00 0.00 H new ATOM 0 HA ALA A 40 7.742 2.170 -2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.641 3.841 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.591 4.609 -2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.098 4.444 -1.273 1.00 0.00 H new ATOM 563 N ALA A 41 4.911 2.081 -0.732 1.00 0.00 N ATOM 564 CA ALA A 41 4.148 1.280 0.217 1.00 0.00 C ATOM 565 C ALA A 41 4.346 -0.210 -0.039 1.00 0.00 C ATOM 566 O ALA A 41 4.773 -0.952 0.847 1.00 0.00 O ATOM 567 CB ALA A 41 2.671 1.638 0.142 1.00 0.00 C ATOM 0 H ALA A 41 4.457 2.950 -1.011 1.00 0.00 H new ATOM 0 HA ALA A 41 4.514 1.502 1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.113 1.032 0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.540 2.693 0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.301 1.445 -0.865 1.00 0.00 H new ATOM 573 N LEU A 42 4.032 -0.644 -1.255 1.00 0.00 N ATOM 574 CA LEU A 42 4.175 -2.047 -1.628 1.00 0.00 C ATOM 575 C LEU A 42 5.638 -2.475 -1.586 1.00 0.00 C ATOM 576 O LEU A 42 5.978 -3.496 -0.989 1.00 0.00 O ATOM 577 CB LEU A 42 3.602 -2.284 -3.026 1.00 0.00 C ATOM 578 CG LEU A 42 2.189 -1.754 -3.272 1.00 0.00 C ATOM 579 CD1 LEU A 42 1.873 -1.745 -4.760 1.00 0.00 C ATOM 580 CD2 LEU A 42 1.167 -2.589 -2.513 1.00 0.00 C ATOM 0 H LEU A 42 3.677 -0.044 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 42 3.619 -2.648 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.272 -1.826 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.605 -3.356 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 42 2.137 -0.729 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.863 -1.365 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.586 -1.105 -5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.943 -2.759 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.167 -2.198 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.220 -3.624 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.381 -2.544 -1.445 1.00 0.00 H new ATOM 592 N GLU A 43 6.499 -1.686 -2.221 1.00 0.00 N ATOM 593 CA GLU A 43 7.926 -1.984 -2.254 1.00 0.00 C ATOM 594 C GLU A 43 8.434 -2.369 -0.868 1.00 0.00 C ATOM 595 O GLU A 43 9.093 -3.396 -0.700 1.00 0.00 O ATOM 596 CB GLU A 43 8.709 -0.778 -2.779 1.00 0.00 C ATOM 597 CG GLU A 43 10.021 -1.150 -3.450 1.00 0.00 C ATOM 598 CD GLU A 43 10.848 0.064 -3.825 1.00 0.00 C ATOM 599 OE1 GLU A 43 10.785 1.074 -3.093 1.00 0.00 O ATOM 600 OE2 GLU A 43 11.559 0.004 -4.850 1.00 0.00 O ATOM 0 H GLU A 43 6.234 -0.836 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 43 8.079 -2.829 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.088 -0.234 -3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.914 -0.100 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.600 -1.787 -2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.814 -1.735 -4.346 1.00 0.00 H new ATOM 607 N TYR A 44 8.123 -1.539 0.121 1.00 0.00 N ATOM 608 CA TYR A 44 8.549 -1.791 1.493 1.00 0.00 C ATOM 609 C TYR A 44 8.146 -3.192 1.940 1.00 0.00 C ATOM 610 O TYR A 44 8.968 -3.952 2.453 1.00 0.00 O ATOM 611 CB TYR A 44 7.946 -0.748 2.436 1.00 0.00 C ATOM 612 CG TYR A 44 8.139 -1.073 3.900 1.00 0.00 C ATOM 613 CD1 TYR A 44 9.392 -1.410 4.398 1.00 0.00 C ATOM 614 CD2 TYR A 44 7.069 -1.041 4.786 1.00 0.00 C ATOM 615 CE1 TYR A 44 9.572 -1.708 5.735 1.00 0.00 C ATOM 616 CE2 TYR A 44 7.241 -1.336 6.124 1.00 0.00 C ATOM 617 CZ TYR A 44 8.494 -1.670 6.594 1.00 0.00 C ATOM 618 OH TYR A 44 8.670 -1.964 7.926 1.00 0.00 O ATOM 0 H TYR A 44 7.578 -0.686 -0.001 1.00 0.00 H new ATOM 0 HA TYR A 44 9.636 -1.717 1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.395 0.223 2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.879 -0.657 2.230 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.239 -1.439 3.729 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.086 -0.781 4.422 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.552 -1.969 6.106 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.399 -1.305 6.799 1.00 0.00 H new ATOM 0 HH TYR A 44 7.812 -1.890 8.393 1.00 0.00 H new ATOM 628 N ILE A 45 6.876 -3.527 1.742 1.00 0.00 N ATOM 629 CA ILE A 45 6.363 -4.837 2.124 1.00 0.00 C ATOM 630 C ILE A 45 7.192 -5.955 1.500 1.00 0.00 C ATOM 631 O ILE A 45 7.432 -6.987 2.125 1.00 0.00 O ATOM 632 CB ILE A 45 4.891 -5.009 1.704 1.00 0.00 C ATOM 633 CG1 ILE A 45 4.031 -3.900 2.314 1.00 0.00 C ATOM 634 CG2 ILE A 45 4.377 -6.378 2.126 1.00 0.00 C ATOM 635 CD1 ILE A 45 2.813 -3.556 1.485 1.00 0.00 C ATOM 0 H ILE A 45 6.183 -2.909 1.319 1.00 0.00 H new ATOM 0 HA ILE A 45 6.432 -4.899 3.210 1.00 0.00 H new ATOM 0 HB ILE A 45 4.827 -4.937 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.709 -4.207 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.641 -3.005 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.336 -6.485 1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.976 -7.154 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.451 -6.477 3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.250 -2.763 1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.128 -3.218 0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.182 -4.439 1.382 1.00 0.00 H new ATOM 647 N SER A 46 7.629 -5.740 0.263 1.00 0.00 N ATOM 648 CA SER A 46 8.430 -6.730 -0.448 1.00 0.00 C ATOM 649 C SER A 46 9.811 -6.867 0.186 1.00 0.00 C ATOM 650 O SER A 46 10.267 -7.973 0.477 1.00 0.00 O ATOM 651 CB SER A 46 8.568 -6.343 -1.921 1.00 0.00 C ATOM 652 OG SER A 46 9.104 -7.412 -2.681 1.00 0.00 O ATOM 0 H SER A 46 7.442 -4.889 -0.268 1.00 0.00 H new ATOM 0 HA SER A 46 7.921 -7.691 -0.379 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.593 -6.062 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.213 -5.469 -2.012 1.00 0.00 H new ATOM 0 HG SER A 46 9.181 -7.140 -3.619 1.00 0.00 H new ATOM 658 N LYS A 47 10.473 -5.734 0.396 1.00 0.00 N ATOM 659 CA LYS A 47 11.802 -5.725 0.996 1.00 0.00 C ATOM 660 C LYS A 47 11.836 -6.581 2.258 1.00 0.00 C ATOM 661 O LYS A 47 12.740 -7.395 2.442 1.00 0.00 O ATOM 662 CB LYS A 47 12.224 -4.291 1.328 1.00 0.00 C ATOM 663 CG LYS A 47 12.379 -3.404 0.105 1.00 0.00 C ATOM 664 CD LYS A 47 12.718 -1.975 0.492 1.00 0.00 C ATOM 665 CE LYS A 47 13.508 -1.273 -0.602 1.00 0.00 C ATOM 666 NZ LYS A 47 13.405 0.209 -0.497 1.00 0.00 N ATOM 0 H LYS A 47 10.111 -4.810 0.160 1.00 0.00 H new ATOM 0 HA LYS A 47 12.502 -6.146 0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.484 -3.849 1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.169 -4.316 1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.163 -3.803 -0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.455 -3.416 -0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.799 -1.423 0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.296 -1.975 1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.555 -1.569 -0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.142 -1.594 -1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.957 0.650 -1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.408 0.495 -0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.778 0.519 0.423 1.00 0.00 H new ATOM 680 N MET A 48 10.844 -6.393 3.122 1.00 0.00 N ATOM 681 CA MET A 48 10.760 -7.151 4.365 1.00 0.00 C ATOM 682 C MET A 48 10.589 -8.640 4.083 1.00 0.00 C ATOM 683 O MET A 48 11.334 -9.469 4.605 1.00 0.00 O ATOM 684 CB MET A 48 9.595 -6.644 5.218 1.00 0.00 C ATOM 685 CG MET A 48 9.701 -7.034 6.683 1.00 0.00 C ATOM 686 SD MET A 48 8.098 -7.077 7.508 1.00 0.00 S ATOM 687 CE MET A 48 7.233 -8.283 6.505 1.00 0.00 C ATOM 0 H MET A 48 10.088 -5.723 2.984 1.00 0.00 H new ATOM 0 HA MET A 48 11.691 -7.008 4.913 1.00 0.00 H new ATOM 0 HB2 MET A 48 9.545 -5.558 5.142 1.00 0.00 H new ATOM 0 HB3 MET A 48 8.662 -7.035 4.813 1.00 0.00 H new ATOM 0 HG2 MET A 48 10.172 -8.014 6.761 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.351 -6.326 7.197 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.515 -8.822 7.123 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.707 -7.774 5.697 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.950 -8.987 6.083 1.00 0.00 H new ATOM 697 N SER A 49 9.604 -8.972 3.254 1.00 0.00 N ATOM 698 CA SER A 49 9.334 -10.362 2.907 1.00 0.00 C ATOM 699 C SER A 49 10.609 -11.066 2.451 1.00 0.00 C ATOM 700 O SER A 49 10.912 -12.173 2.894 1.00 0.00 O ATOM 701 CB SER A 49 8.275 -10.438 1.806 1.00 0.00 C ATOM 702 OG SER A 49 7.959 -11.783 1.493 1.00 0.00 O ATOM 0 H SER A 49 8.980 -8.298 2.811 1.00 0.00 H new ATOM 0 HA SER A 49 8.960 -10.867 3.798 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.374 -9.915 2.127 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.638 -9.929 0.913 1.00 0.00 H new ATOM 0 HG SER A 49 7.279 -11.804 0.788 1.00 0.00 H new ATOM 708 N GLY A 50 11.351 -10.414 1.561 1.00 0.00 N ATOM 709 CA GLY A 50 12.584 -10.992 1.059 1.00 0.00 C ATOM 710 C GLY A 50 12.352 -12.278 0.292 1.00 0.00 C ATOM 711 O GLY A 50 11.256 -12.541 -0.203 1.00 0.00 O ATOM 0 H GLY A 50 11.121 -9.497 1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.082 -10.271 0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.256 -11.187 1.894 1.00 0.00 H new ATOM 715 N PRO A 51 13.402 -13.105 0.183 1.00 0.00 N ATOM 716 CA PRO A 51 13.333 -14.384 -0.530 1.00 0.00 C ATOM 717 C PRO A 51 12.476 -15.410 0.204 1.00 0.00 C ATOM 718 O PRO A 51 12.062 -15.188 1.341 1.00 0.00 O ATOM 719 CB PRO A 51 14.792 -14.843 -0.579 1.00 0.00 C ATOM 720 CG PRO A 51 15.438 -14.177 0.587 1.00 0.00 C ATOM 721 CD PRO A 51 14.739 -12.855 0.748 1.00 0.00 C ATOM 0 HA PRO A 51 12.873 -14.279 -1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 51 14.868 -15.928 -0.507 1.00 0.00 H new ATOM 0 HB3 PRO A 51 15.268 -14.551 -1.515 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.338 -14.783 1.487 1.00 0.00 H new ATOM 0 HG3 PRO A 51 16.505 -14.036 0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.683 -12.555 1.794 1.00 0.00 H new ATOM 0 HD3 PRO A 51 15.258 -12.058 0.215 1.00 0.00 H new ATOM 729 N SER A 52 12.214 -16.534 -0.455 1.00 0.00 N ATOM 730 CA SER A 52 11.403 -17.594 0.133 1.00 0.00 C ATOM 731 C SER A 52 12.031 -18.962 -0.118 1.00 0.00 C ATOM 732 O SER A 52 12.910 -19.107 -0.967 1.00 0.00 O ATOM 733 CB SER A 52 9.985 -17.558 -0.440 1.00 0.00 C ATOM 734 OG SER A 52 9.375 -16.300 -0.213 1.00 0.00 O ATOM 0 H SER A 52 12.551 -16.734 -1.396 1.00 0.00 H new ATOM 0 HA SER A 52 11.357 -17.427 1.209 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.017 -17.762 -1.510 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.385 -18.345 0.017 1.00 0.00 H new ATOM 0 HG SER A 52 8.470 -16.302 -0.590 1.00 0.00 H new ATOM 740 N SER A 53 11.572 -19.962 0.627 1.00 0.00 N ATOM 741 CA SER A 53 12.090 -21.318 0.489 1.00 0.00 C ATOM 742 C SER A 53 11.251 -22.305 1.294 1.00 0.00 C ATOM 743 O SER A 53 10.401 -21.910 2.091 1.00 0.00 O ATOM 744 CB SER A 53 13.549 -21.378 0.948 1.00 0.00 C ATOM 745 OG SER A 53 13.685 -20.911 2.278 1.00 0.00 O ATOM 0 H SER A 53 10.842 -19.859 1.332 1.00 0.00 H new ATOM 0 HA SER A 53 12.035 -21.596 -0.564 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.913 -22.403 0.880 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.168 -20.776 0.283 1.00 0.00 H new ATOM 0 HG SER A 53 14.626 -20.961 2.548 1.00 0.00 H new ATOM 751 N GLY A 54 11.497 -23.594 1.080 1.00 0.00 N ATOM 752 CA GLY A 54 10.757 -24.619 1.793 1.00 0.00 C ATOM 753 C GLY A 54 9.687 -25.264 0.934 1.00 0.00 C ATOM 754 O GLY A 54 8.666 -24.646 0.634 1.00 0.00 O ATOM 0 H GLY A 54 12.195 -23.947 0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.449 -25.385 2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.294 -24.180 2.677 1.00 0.00 H new TER 758 GLY A 54