USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=15 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.14 USER MOD Single : A 5 SER OG : rot 34:sc= 0.572 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.28 K(o=-1.3,f=-8.2!) USER MOD Single : A 11 GLN : amide:sc=-0.00406 X(o=-0.0041,f=-0.0034) USER MOD Single : A 12 MET CE :methyl -175:sc= -0.0683 (180deg=-0.219) USER MOD Single : A 14 GLN : amide:sc= -1.25 K(o=-1.2,f=-3.9!) USER MOD Single : A 18 ASN : amide:sc= -2.67! C(o=-2.7!,f=-3.2!) USER MOD Single : A 21 CYS SG : rot -118:sc= -1.82 USER MOD Single : A 23 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.7!) USER MOD Single : A 25 MET CE :methyl -179:sc= -6.21! (180deg=-6.3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0486 X(o=-0.049,f=-0.056) USER MOD Single : A 33 THR OG1 : rot -59:sc= 0.766 USER MOD Single : A 35 SER OG : rot 180:sc= -0.156 USER MOD Single : A 37 SER OG : rot 180:sc= 0 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 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -44:sc= 0.665 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc=-0.00924 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.368 23.384 -3.416 1.00 0.00 N ATOM 2 CA GLY A 1 0.814 23.759 -2.087 1.00 0.00 C ATOM 3 C GLY A 1 0.264 22.845 -1.011 1.00 0.00 C ATOM 4 O GLY A 1 -0.920 22.906 -0.680 1.00 0.00 O ATOM 0 H1 GLY A 1 0.771 24.039 -4.115 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.683 22.416 -3.627 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.670 23.428 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.903 23.739 -2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.507 24.784 -1.880 1.00 0.00 H new ATOM 8 N SER A 2 1.124 21.992 -0.463 1.00 0.00 N ATOM 9 CA SER A 2 0.716 21.057 0.578 1.00 0.00 C ATOM 10 C SER A 2 1.124 21.567 1.957 1.00 0.00 C ATOM 11 O SER A 2 2.271 21.409 2.375 1.00 0.00 O ATOM 12 CB SER A 2 1.335 19.680 0.328 1.00 0.00 C ATOM 13 OG SER A 2 0.730 18.692 1.144 1.00 0.00 O ATOM 0 H SER A 2 2.108 21.930 -0.723 1.00 0.00 H new ATOM 0 HA SER A 2 -0.370 20.970 0.548 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.218 19.411 -0.722 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.405 19.717 0.530 1.00 0.00 H new ATOM 0 HG SER A 2 1.142 17.821 0.964 1.00 0.00 H new ATOM 19 N SER A 3 0.176 22.179 2.658 1.00 0.00 N ATOM 20 CA SER A 3 0.435 22.717 3.989 1.00 0.00 C ATOM 21 C SER A 3 1.033 21.648 4.899 1.00 0.00 C ATOM 22 O SER A 3 2.026 21.886 5.585 1.00 0.00 O ATOM 23 CB SER A 3 -0.855 23.262 4.603 1.00 0.00 C ATOM 24 OG SER A 3 -1.777 22.218 4.864 1.00 0.00 O ATOM 0 H SER A 3 -0.779 22.315 2.327 1.00 0.00 H new ATOM 0 HA SER A 3 1.153 23.531 3.891 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.626 23.789 5.529 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.305 23.988 3.926 1.00 0.00 H new ATOM 0 HG SER A 3 -2.592 22.593 5.258 1.00 0.00 H new ATOM 30 N GLY A 4 0.419 20.469 4.899 1.00 0.00 N ATOM 31 CA GLY A 4 0.903 19.381 5.729 1.00 0.00 C ATOM 32 C GLY A 4 0.236 18.060 5.399 1.00 0.00 C ATOM 33 O GLY A 4 0.010 17.746 4.230 1.00 0.00 O ATOM 0 H GLY A 4 -0.405 20.248 4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.981 19.282 5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.727 19.622 6.777 1.00 0.00 H new ATOM 37 N SER A 5 -0.077 17.283 6.431 1.00 0.00 N ATOM 38 CA SER A 5 -0.717 15.986 6.245 1.00 0.00 C ATOM 39 C SER A 5 -1.439 15.549 7.516 1.00 0.00 C ATOM 40 O SER A 5 -1.044 15.912 8.623 1.00 0.00 O ATOM 41 CB SER A 5 0.321 14.934 5.847 1.00 0.00 C ATOM 42 OG SER A 5 0.497 14.899 4.441 1.00 0.00 O ATOM 0 H SER A 5 0.102 17.529 7.405 1.00 0.00 H new ATOM 0 HA SER A 5 -1.452 16.082 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.272 15.156 6.331 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.004 13.953 6.202 1.00 0.00 H new ATOM 0 HG SER A 5 0.393 15.802 4.076 1.00 0.00 H new ATOM 48 N SER A 6 -2.500 14.766 7.347 1.00 0.00 N ATOM 49 CA SER A 6 -3.280 14.281 8.479 1.00 0.00 C ATOM 50 C SER A 6 -3.589 12.795 8.329 1.00 0.00 C ATOM 51 O SER A 6 -4.294 12.385 7.408 1.00 0.00 O ATOM 52 CB SER A 6 -4.583 15.074 8.605 1.00 0.00 C ATOM 53 OG SER A 6 -4.348 16.355 9.164 1.00 0.00 O ATOM 0 H SER A 6 -2.839 14.454 6.437 1.00 0.00 H new ATOM 0 HA SER A 6 -2.688 14.422 9.383 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.044 15.181 7.623 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.288 14.525 9.229 1.00 0.00 H new ATOM 0 HG SER A 6 -5.195 16.842 9.233 1.00 0.00 H new ATOM 59 N GLY A 7 -3.056 11.991 9.244 1.00 0.00 N ATOM 60 CA GLY A 7 -3.285 10.558 9.197 1.00 0.00 C ATOM 61 C GLY A 7 -2.564 9.894 8.041 1.00 0.00 C ATOM 62 O GLY A 7 -1.427 10.244 7.725 1.00 0.00 O ATOM 0 H GLY A 7 -2.470 12.306 10.017 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.954 10.109 10.134 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.355 10.367 9.112 1.00 0.00 H new ATOM 66 N VAL A 8 -3.226 8.929 7.409 1.00 0.00 N ATOM 67 CA VAL A 8 -2.641 8.213 6.282 1.00 0.00 C ATOM 68 C VAL A 8 -3.419 8.479 4.998 1.00 0.00 C ATOM 69 O VAL A 8 -4.611 8.184 4.911 1.00 0.00 O ATOM 70 CB VAL A 8 -2.602 6.695 6.541 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.684 6.006 5.543 1.00 0.00 C ATOM 72 CG2 VAL A 8 -2.161 6.410 7.969 1.00 0.00 C ATOM 0 H VAL A 8 -4.167 8.626 7.659 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.621 8.581 6.168 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.607 6.295 6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.669 4.934 5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.049 6.182 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.675 6.407 5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.139 5.333 8.135 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.165 6.823 8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.862 6.870 8.665 1.00 0.00 H new ATOM 82 N ASN A 9 -2.737 9.037 4.004 1.00 0.00 N ATOM 83 CA ASN A 9 -3.365 9.343 2.723 1.00 0.00 C ATOM 84 C ASN A 9 -4.320 8.229 2.306 1.00 0.00 C ATOM 85 O ASN A 9 -3.895 7.114 2.004 1.00 0.00 O ATOM 86 CB ASN A 9 -2.299 9.546 1.645 1.00 0.00 C ATOM 87 CG ASN A 9 -2.808 10.368 0.477 1.00 0.00 C ATOM 88 OD1 ASN A 9 -3.727 9.957 -0.231 1.00 0.00 O ATOM 89 ND2 ASN A 9 -2.210 11.536 0.270 1.00 0.00 N ATOM 0 H ASN A 9 -1.750 9.287 4.060 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.937 10.264 2.837 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.432 10.040 2.083 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.963 8.575 1.283 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -2.509 12.132 -0.502 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -1.452 11.836 0.883 1.00 0.00 H new ATOM 96 N ARG A 10 -5.612 8.539 2.292 1.00 0.00 N ATOM 97 CA ARG A 10 -6.628 7.565 1.912 1.00 0.00 C ATOM 98 C ARG A 10 -6.680 7.397 0.396 1.00 0.00 C ATOM 99 O ARG A 10 -6.883 6.292 -0.108 1.00 0.00 O ATOM 100 CB ARG A 10 -7.999 7.995 2.436 1.00 0.00 C ATOM 101 CG ARG A 10 -8.074 8.077 3.952 1.00 0.00 C ATOM 102 CD ARG A 10 -8.349 6.715 4.570 1.00 0.00 C ATOM 103 NE ARG A 10 -8.158 6.722 6.018 1.00 0.00 N ATOM 104 CZ ARG A 10 -8.428 5.683 6.800 1.00 0.00 C ATOM 105 NH1 ARG A 10 -8.898 4.559 6.276 1.00 0.00 N ATOM 106 NH2 ARG A 10 -8.228 5.766 8.109 1.00 0.00 N ATOM 0 H ARG A 10 -5.980 9.457 2.540 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.361 6.607 2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.250 8.969 2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.751 7.291 2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.137 8.473 4.343 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.860 8.775 4.241 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.371 6.413 4.341 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.689 5.973 4.121 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.797 7.571 6.453 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.053 4.491 5.270 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.104 3.763 6.879 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.866 6.629 8.516 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.436 4.967 8.708 1.00 0.00 H new ATOM 120 N GLN A 11 -6.498 8.499 -0.323 1.00 0.00 N ATOM 121 CA GLN A 11 -6.526 8.473 -1.780 1.00 0.00 C ATOM 122 C GLN A 11 -5.474 7.514 -2.328 1.00 0.00 C ATOM 123 O GLN A 11 -5.709 6.819 -3.317 1.00 0.00 O ATOM 124 CB GLN A 11 -6.293 9.877 -2.341 1.00 0.00 C ATOM 125 CG GLN A 11 -6.284 9.932 -3.860 1.00 0.00 C ATOM 126 CD GLN A 11 -7.651 9.676 -4.462 1.00 0.00 C ATOM 127 OE1 GLN A 11 -8.604 10.412 -4.204 1.00 0.00 O ATOM 128 NE2 GLN A 11 -7.756 8.627 -5.270 1.00 0.00 N ATOM 0 H GLN A 11 -6.330 9.421 0.079 1.00 0.00 H new ATOM 0 HA GLN A 11 -7.510 8.122 -2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.071 10.542 -1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.342 10.256 -1.966 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.927 10.910 -4.182 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.579 9.194 -4.242 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.941 8.043 -5.457 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.652 8.405 -5.704 1.00 0.00 H new ATOM 137 N MET A 12 -4.315 7.480 -1.679 1.00 0.00 N ATOM 138 CA MET A 12 -3.228 6.605 -2.101 1.00 0.00 C ATOM 139 C MET A 12 -3.496 5.163 -1.680 1.00 0.00 C ATOM 140 O MET A 12 -3.017 4.221 -2.313 1.00 0.00 O ATOM 141 CB MET A 12 -1.901 7.083 -1.509 1.00 0.00 C ATOM 142 CG MET A 12 -1.490 8.469 -1.978 1.00 0.00 C ATOM 143 SD MET A 12 -0.175 9.182 -0.973 1.00 0.00 S ATOM 144 CE MET A 12 1.153 9.279 -2.171 1.00 0.00 C ATOM 0 H MET A 12 -4.104 8.048 -0.859 1.00 0.00 H new ATOM 0 HA MET A 12 -3.167 6.642 -3.189 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.977 7.084 -0.422 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.118 6.372 -1.773 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.160 8.414 -3.015 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.358 9.128 -1.954 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.064 9.618 -1.678 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.322 8.295 -2.608 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.883 9.983 -2.958 1.00 0.00 H new ATOM 154 N LEU A 13 -4.264 4.998 -0.609 1.00 0.00 N ATOM 155 CA LEU A 13 -4.596 3.670 -0.103 1.00 0.00 C ATOM 156 C LEU A 13 -5.466 2.910 -1.098 1.00 0.00 C ATOM 157 O LEU A 13 -5.154 1.780 -1.472 1.00 0.00 O ATOM 158 CB LEU A 13 -5.318 3.781 1.242 1.00 0.00 C ATOM 159 CG LEU A 13 -5.862 2.475 1.821 1.00 0.00 C ATOM 160 CD1 LEU A 13 -7.078 2.009 1.037 1.00 0.00 C ATOM 161 CD2 LEU A 13 -4.783 1.402 1.822 1.00 0.00 C ATOM 0 H LEU A 13 -4.669 5.766 -0.074 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.666 3.118 0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.630 4.217 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.148 4.479 1.130 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.167 2.656 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.451 1.078 1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.857 2.770 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.799 1.845 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.188 0.479 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.447 1.223 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.940 1.734 2.429 1.00 0.00 H new ATOM 173 N GLN A 14 -6.556 3.539 -1.525 1.00 0.00 N ATOM 174 CA GLN A 14 -7.470 2.922 -2.479 1.00 0.00 C ATOM 175 C GLN A 14 -6.723 2.453 -3.723 1.00 0.00 C ATOM 176 O GLN A 14 -7.129 1.493 -4.377 1.00 0.00 O ATOM 177 CB GLN A 14 -8.572 3.907 -2.873 1.00 0.00 C ATOM 178 CG GLN A 14 -9.666 4.046 -1.826 1.00 0.00 C ATOM 179 CD GLN A 14 -10.084 2.713 -1.238 1.00 0.00 C ATOM 180 OE1 GLN A 14 -9.791 2.413 -0.080 1.00 0.00 O ATOM 181 NE2 GLN A 14 -10.772 1.903 -2.035 1.00 0.00 N ATOM 0 H GLN A 14 -6.828 4.475 -1.226 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.923 2.054 -2.000 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.126 4.885 -3.053 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.019 3.583 -3.813 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.317 4.698 -1.026 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.534 4.529 -2.275 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.993 2.192 -2.988 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.079 0.992 -1.694 1.00 0.00 H new ATOM 190 N GLU A 15 -5.629 3.136 -4.044 1.00 0.00 N ATOM 191 CA GLU A 15 -4.826 2.789 -5.211 1.00 0.00 C ATOM 192 C GLU A 15 -3.935 1.585 -4.919 1.00 0.00 C ATOM 193 O GLU A 15 -3.950 0.595 -5.653 1.00 0.00 O ATOM 194 CB GLU A 15 -3.968 3.981 -5.640 1.00 0.00 C ATOM 195 CG GLU A 15 -4.685 4.944 -6.571 1.00 0.00 C ATOM 196 CD GLU A 15 -4.951 4.345 -7.938 1.00 0.00 C ATOM 197 OE1 GLU A 15 -4.131 3.519 -8.393 1.00 0.00 O ATOM 198 OE2 GLU A 15 -5.977 4.700 -8.553 1.00 0.00 O ATOM 0 H GLU A 15 -5.278 3.933 -3.513 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.505 2.529 -6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.643 4.522 -4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.070 3.612 -6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.631 5.244 -6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.086 5.847 -6.685 1.00 0.00 H new ATOM 205 N LEU A 16 -3.160 1.677 -3.845 1.00 0.00 N ATOM 206 CA LEU A 16 -2.261 0.596 -3.456 1.00 0.00 C ATOM 207 C LEU A 16 -3.037 -0.692 -3.199 1.00 0.00 C ATOM 208 O LEU A 16 -2.567 -1.786 -3.513 1.00 0.00 O ATOM 209 CB LEU A 16 -1.472 0.987 -2.205 1.00 0.00 C ATOM 210 CG LEU A 16 -2.136 0.666 -0.865 1.00 0.00 C ATOM 211 CD1 LEU A 16 -1.820 -0.759 -0.440 1.00 0.00 C ATOM 212 CD2 LEU A 16 -1.689 1.654 0.202 1.00 0.00 C ATOM 0 H LEU A 16 -3.136 2.489 -3.228 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.566 0.422 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.505 0.485 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.276 2.059 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.216 0.756 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.301 -0.969 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.191 -1.454 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.741 -0.877 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.171 1.410 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.607 1.596 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.968 2.664 -0.098 1.00 0.00 H new ATOM 224 N VAL A 17 -4.229 -0.555 -2.628 1.00 0.00 N ATOM 225 CA VAL A 17 -5.073 -1.707 -2.333 1.00 0.00 C ATOM 226 C VAL A 17 -5.711 -2.260 -3.602 1.00 0.00 C ATOM 227 O VAL A 17 -5.999 -3.453 -3.695 1.00 0.00 O ATOM 228 CB VAL A 17 -6.183 -1.347 -1.328 1.00 0.00 C ATOM 229 CG1 VAL A 17 -7.366 -0.712 -2.044 1.00 0.00 C ATOM 230 CG2 VAL A 17 -6.618 -2.580 -0.551 1.00 0.00 C ATOM 0 H VAL A 17 -4.632 0.343 -2.360 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.428 -2.468 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.786 -0.621 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.140 -0.464 -1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.040 0.196 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.766 -1.412 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.403 -2.307 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.998 -3.331 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.766 -2.986 -0.006 1.00 0.00 H new ATOM 240 N ASN A 18 -5.929 -1.385 -4.578 1.00 0.00 N ATOM 241 CA ASN A 18 -6.534 -1.787 -5.843 1.00 0.00 C ATOM 242 C ASN A 18 -5.553 -2.602 -6.681 1.00 0.00 C ATOM 243 O ASN A 18 -5.954 -3.347 -7.575 1.00 0.00 O ATOM 244 CB ASN A 18 -6.991 -0.555 -6.628 1.00 0.00 C ATOM 245 CG ASN A 18 -8.396 -0.123 -6.258 1.00 0.00 C ATOM 246 OD1 ASN A 18 -9.248 -0.951 -5.934 1.00 0.00 O ATOM 247 ND2 ASN A 18 -8.646 1.181 -6.305 1.00 0.00 N ATOM 0 H ASN A 18 -5.696 -0.394 -4.518 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.400 -2.410 -5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.300 0.267 -6.443 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.950 -0.772 -7.695 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.574 1.531 -6.067 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.910 1.832 -6.579 1.00 0.00 H new ATOM 254 N ALA A 19 -4.266 -2.456 -6.384 1.00 0.00 N ATOM 255 CA ALA A 19 -3.228 -3.180 -7.107 1.00 0.00 C ATOM 256 C ALA A 19 -3.252 -4.665 -6.760 1.00 0.00 C ATOM 257 O ALA A 19 -3.296 -5.518 -7.645 1.00 0.00 O ATOM 258 CB ALA A 19 -1.861 -2.587 -6.802 1.00 0.00 C ATOM 0 H ALA A 19 -3.917 -1.843 -5.647 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.425 -3.079 -8.174 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.095 -3.138 -7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.842 -1.540 -7.106 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.664 -2.657 -5.732 1.00 0.00 H new ATOM 264 N GLY A 20 -3.222 -4.967 -5.465 1.00 0.00 N ATOM 265 CA GLY A 20 -3.240 -6.349 -5.025 1.00 0.00 C ATOM 266 C GLY A 20 -2.810 -6.504 -3.580 1.00 0.00 C ATOM 267 O GLY A 20 -2.133 -7.470 -3.227 1.00 0.00 O ATOM 0 H GLY A 20 -3.186 -4.279 -4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.245 -6.753 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.581 -6.938 -5.662 1.00 0.00 H new ATOM 271 N CYS A 21 -3.200 -5.549 -2.743 1.00 0.00 N ATOM 272 CA CYS A 21 -2.848 -5.582 -1.328 1.00 0.00 C ATOM 273 C CYS A 21 -4.099 -5.581 -0.456 1.00 0.00 C ATOM 274 O CYS A 21 -5.217 -5.458 -0.957 1.00 0.00 O ATOM 275 CB CYS A 21 -1.964 -4.385 -0.974 1.00 0.00 C ATOM 276 SG CYS A 21 -0.850 -4.678 0.420 1.00 0.00 S ATOM 0 H CYS A 21 -3.760 -4.743 -3.020 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.296 -6.502 -1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.372 -4.113 -1.848 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.602 -3.532 -0.743 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.131 -3.849 1.381 1.00 0.00 H new ATOM 282 N ASP A 22 -3.904 -5.721 0.850 1.00 0.00 N ATOM 283 CA ASP A 22 -5.016 -5.737 1.793 1.00 0.00 C ATOM 284 C ASP A 22 -5.336 -4.328 2.281 1.00 0.00 C ATOM 285 O ASP A 22 -4.679 -3.363 1.891 1.00 0.00 O ATOM 286 CB ASP A 22 -4.691 -6.641 2.983 1.00 0.00 C ATOM 287 CG ASP A 22 -4.337 -8.052 2.559 1.00 0.00 C ATOM 288 OD1 ASP A 22 -5.266 -8.858 2.343 1.00 0.00 O ATOM 289 OD2 ASP A 22 -3.130 -8.351 2.442 1.00 0.00 O ATOM 0 H ASP A 22 -2.985 -5.825 1.280 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.892 -6.130 1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.859 -6.214 3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.547 -6.671 3.657 1.00 0.00 H new ATOM 294 N GLN A 23 -6.348 -4.218 3.135 1.00 0.00 N ATOM 295 CA GLN A 23 -6.755 -2.925 3.674 1.00 0.00 C ATOM 296 C GLN A 23 -6.026 -2.626 4.979 1.00 0.00 C ATOM 297 O GLN A 23 -5.318 -1.626 5.090 1.00 0.00 O ATOM 298 CB GLN A 23 -8.268 -2.898 3.902 1.00 0.00 C ATOM 299 CG GLN A 23 -8.876 -1.510 3.783 1.00 0.00 C ATOM 300 CD GLN A 23 -8.829 -0.738 5.087 1.00 0.00 C ATOM 301 OE1 GLN A 23 -7.771 -0.599 5.701 1.00 0.00 O ATOM 302 NE2 GLN A 23 -9.979 -0.231 5.516 1.00 0.00 N ATOM 0 H GLN A 23 -6.901 -5.007 3.469 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.491 -2.156 2.948 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.748 -3.559 3.180 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.485 -3.297 4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.344 -0.949 3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.912 -1.598 3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.832 -0.371 4.974 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.009 0.299 6.387 1.00 0.00 H new ATOM 311 N GLU A 24 -6.205 -3.500 5.965 1.00 0.00 N ATOM 312 CA GLU A 24 -5.565 -3.327 7.264 1.00 0.00 C ATOM 313 C GLU A 24 -4.060 -3.129 7.106 1.00 0.00 C ATOM 314 O GLU A 24 -3.495 -2.161 7.615 1.00 0.00 O ATOM 315 CB GLU A 24 -5.840 -4.539 8.158 1.00 0.00 C ATOM 316 CG GLU A 24 -5.388 -5.857 7.552 1.00 0.00 C ATOM 317 CD GLU A 24 -6.057 -7.055 8.197 1.00 0.00 C ATOM 318 OE1 GLU A 24 -6.146 -7.087 9.442 1.00 0.00 O ATOM 319 OE2 GLU A 24 -6.493 -7.960 7.455 1.00 0.00 O ATOM 0 H GLU A 24 -6.787 -4.334 5.889 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.984 -2.436 7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.336 -4.397 9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.909 -4.592 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.606 -5.855 6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.307 -5.949 7.657 1.00 0.00 H new ATOM 326 N MET A 25 -3.418 -4.052 6.398 1.00 0.00 N ATOM 327 CA MET A 25 -1.979 -3.978 6.173 1.00 0.00 C ATOM 328 C MET A 25 -1.609 -2.693 5.440 1.00 0.00 C ATOM 329 O MET A 25 -0.879 -1.855 5.968 1.00 0.00 O ATOM 330 CB MET A 25 -1.505 -5.191 5.370 1.00 0.00 C ATOM 331 CG MET A 25 -0.028 -5.142 5.010 1.00 0.00 C ATOM 332 SD MET A 25 0.293 -4.172 3.525 1.00 0.00 S ATOM 333 CE MET A 25 1.531 -3.027 4.129 1.00 0.00 C ATOM 0 H MET A 25 -3.871 -4.860 5.970 1.00 0.00 H new ATOM 0 HA MET A 25 -1.484 -3.977 7.144 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.701 -6.096 5.945 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.092 -5.262 4.454 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.531 -4.718 5.844 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.340 -6.157 4.863 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.819 -2.346 3.328 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.122 -2.455 4.962 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.407 -3.582 4.466 1.00 0.00 H new ATOM 343 N ALA A 26 -2.118 -2.544 4.221 1.00 0.00 N ATOM 344 CA ALA A 26 -1.841 -1.359 3.418 1.00 0.00 C ATOM 345 C ALA A 26 -1.750 -0.112 4.291 1.00 0.00 C ATOM 346 O ALA A 26 -0.718 0.556 4.330 1.00 0.00 O ATOM 347 CB ALA A 26 -2.913 -1.182 2.353 1.00 0.00 C ATOM 0 H ALA A 26 -2.724 -3.229 3.768 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.877 -1.499 2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.694 -0.294 1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.928 -2.057 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.886 -1.068 2.831 1.00 0.00 H new ATOM 353 N GLY A 27 -2.838 0.196 4.991 1.00 0.00 N ATOM 354 CA GLY A 27 -2.860 1.362 5.853 1.00 0.00 C ATOM 355 C GLY A 27 -1.567 1.536 6.626 1.00 0.00 C ATOM 356 O GLY A 27 -0.950 2.600 6.584 1.00 0.00 O ATOM 0 H GLY A 27 -3.704 -0.342 4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.042 2.252 5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.690 1.276 6.554 1.00 0.00 H new ATOM 360 N ARG A 28 -1.158 0.489 7.335 1.00 0.00 N ATOM 361 CA ARG A 28 0.068 0.532 8.123 1.00 0.00 C ATOM 362 C ARG A 28 1.233 1.056 7.288 1.00 0.00 C ATOM 363 O ARG A 28 1.736 2.154 7.527 1.00 0.00 O ATOM 364 CB ARG A 28 0.400 -0.860 8.664 1.00 0.00 C ATOM 365 CG ARG A 28 -0.228 -1.154 10.016 1.00 0.00 C ATOM 366 CD ARG A 28 -1.731 -1.352 9.901 1.00 0.00 C ATOM 367 NE ARG A 28 -2.414 -1.106 11.168 1.00 0.00 N ATOM 368 CZ ARG A 28 -3.693 -1.395 11.382 1.00 0.00 C ATOM 369 NH1 ARG A 28 -4.423 -1.938 10.418 1.00 0.00 N ATOM 370 NH2 ARG A 28 -4.244 -1.141 12.562 1.00 0.00 N ATOM 0 H ARG A 28 -1.657 -0.399 7.380 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.091 1.212 8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.064 -1.609 7.947 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.482 -0.960 8.746 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.226 -2.048 10.443 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.020 -0.333 10.702 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.128 -0.681 9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.938 -2.369 9.569 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.880 -0.689 11.931 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.003 -2.135 9.510 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.405 -2.159 10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.686 -0.723 13.306 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.226 -1.363 12.725 1.00 0.00 H new ATOM 384 N ALA A 29 1.656 0.264 6.309 1.00 0.00 N ATOM 385 CA ALA A 29 2.760 0.649 5.438 1.00 0.00 C ATOM 386 C ALA A 29 2.721 2.141 5.129 1.00 0.00 C ATOM 387 O ALA A 29 3.648 2.880 5.464 1.00 0.00 O ATOM 388 CB ALA A 29 2.724 -0.161 4.151 1.00 0.00 C ATOM 0 H ALA A 29 1.251 -0.648 6.099 1.00 0.00 H new ATOM 0 HA ALA A 29 3.693 0.438 5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.554 0.137 3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.810 -1.222 4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.782 0.021 3.633 1.00 0.00 H new ATOM 394 N LEU A 30 1.643 2.579 4.487 1.00 0.00 N ATOM 395 CA LEU A 30 1.483 3.985 4.131 1.00 0.00 C ATOM 396 C LEU A 30 1.940 4.890 5.270 1.00 0.00 C ATOM 397 O LEU A 30 2.593 5.909 5.045 1.00 0.00 O ATOM 398 CB LEU A 30 0.023 4.280 3.784 1.00 0.00 C ATOM 399 CG LEU A 30 -0.448 3.808 2.407 1.00 0.00 C ATOM 400 CD1 LEU A 30 -1.967 3.771 2.347 1.00 0.00 C ATOM 401 CD2 LEU A 30 0.109 4.710 1.315 1.00 0.00 C ATOM 0 H LEU A 30 0.867 1.981 4.202 1.00 0.00 H new ATOM 0 HA LEU A 30 2.105 4.187 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.610 3.817 4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.135 5.356 3.851 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.073 2.798 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.284 3.433 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.344 3.084 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.363 4.769 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.236 4.359 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.236 5.731 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.198 4.686 1.344 1.00 0.00 H new ATOM 413 N LYS A 31 1.593 4.511 6.496 1.00 0.00 N ATOM 414 CA LYS A 31 1.969 5.286 7.672 1.00 0.00 C ATOM 415 C LYS A 31 3.439 5.070 8.018 1.00 0.00 C ATOM 416 O LYS A 31 4.220 6.020 8.065 1.00 0.00 O ATOM 417 CB LYS A 31 1.091 4.900 8.865 1.00 0.00 C ATOM 418 CG LYS A 31 1.296 5.785 10.082 1.00 0.00 C ATOM 419 CD LYS A 31 0.027 5.897 10.910 1.00 0.00 C ATOM 420 CE LYS A 31 -0.443 4.534 11.396 1.00 0.00 C ATOM 421 NZ LYS A 31 -1.168 4.628 12.694 1.00 0.00 N ATOM 0 H LYS A 31 1.052 3.671 6.700 1.00 0.00 H new ATOM 0 HA LYS A 31 1.818 6.341 7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.044 4.946 8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.299 3.866 9.139 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.098 5.379 10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.612 6.778 9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.206 6.548 11.766 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.758 6.363 10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.096 4.087 10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.416 3.872 11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.472 3.679 12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.537 5.031 13.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.002 5.239 12.582 1.00 0.00 H new ATOM 435 N GLN A 32 3.808 3.816 8.258 1.00 0.00 N ATOM 436 CA GLN A 32 5.184 3.477 8.599 1.00 0.00 C ATOM 437 C GLN A 32 6.166 4.192 7.676 1.00 0.00 C ATOM 438 O GLN A 32 7.066 4.896 8.135 1.00 0.00 O ATOM 439 CB GLN A 32 5.395 1.965 8.514 1.00 0.00 C ATOM 440 CG GLN A 32 4.555 1.176 9.505 1.00 0.00 C ATOM 441 CD GLN A 32 4.909 1.485 10.946 1.00 0.00 C ATOM 442 OE1 GLN A 32 6.071 1.397 11.345 1.00 0.00 O ATOM 443 NE2 GLN A 32 3.907 1.850 11.738 1.00 0.00 N ATOM 0 H GLN A 32 3.173 3.018 8.223 1.00 0.00 H new ATOM 0 HA GLN A 32 5.370 3.806 9.622 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.160 1.630 7.504 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.448 1.743 8.686 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.501 1.397 9.339 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.690 0.110 9.322 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.959 1.910 11.366 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.086 2.070 12.718 1.00 0.00 H new ATOM 452 N THR A 33 5.986 4.007 6.372 1.00 0.00 N ATOM 453 CA THR A 33 6.856 4.633 5.384 1.00 0.00 C ATOM 454 C THR A 33 6.498 6.101 5.188 1.00 0.00 C ATOM 455 O THR A 33 7.369 6.936 4.948 1.00 0.00 O ATOM 456 CB THR A 33 6.775 3.910 4.026 1.00 0.00 C ATOM 457 OG1 THR A 33 5.413 3.834 3.592 1.00 0.00 O ATOM 458 CG2 THR A 33 7.361 2.510 4.123 1.00 0.00 C ATOM 0 H THR A 33 5.245 3.429 5.975 1.00 0.00 H new ATOM 0 HA THR A 33 7.874 4.559 5.767 1.00 0.00 H new ATOM 0 HB THR A 33 7.355 4.480 3.300 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.883 3.353 4.261 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.293 2.019 3.152 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.406 2.573 4.425 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.804 1.933 4.861 1.00 0.00 H new ATOM 466 N GLY A 34 5.209 6.411 5.293 1.00 0.00 N ATOM 467 CA GLY A 34 4.759 7.780 5.125 1.00 0.00 C ATOM 468 C GLY A 34 4.152 8.027 3.758 1.00 0.00 C ATOM 469 O GLY A 34 4.676 7.563 2.745 1.00 0.00 O ATOM 0 H GLY A 34 4.469 5.738 5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.023 8.014 5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.601 8.457 5.273 1.00 0.00 H new ATOM 473 N SER A 35 3.043 8.759 3.728 1.00 0.00 N ATOM 474 CA SER A 35 2.360 9.062 2.475 1.00 0.00 C ATOM 475 C SER A 35 3.363 9.238 1.339 1.00 0.00 C ATOM 476 O SER A 35 3.902 10.326 1.136 1.00 0.00 O ATOM 477 CB SER A 35 1.513 10.327 2.625 1.00 0.00 C ATOM 478 OG SER A 35 0.489 10.145 3.587 1.00 0.00 O ATOM 0 H SER A 35 2.598 9.153 4.557 1.00 0.00 H new ATOM 0 HA SER A 35 1.707 8.223 2.233 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.149 11.161 2.920 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.071 10.588 1.664 1.00 0.00 H new ATOM 0 HG SER A 35 -0.037 10.968 3.665 1.00 0.00 H new ATOM 484 N ARG A 36 3.608 8.160 0.602 1.00 0.00 N ATOM 485 CA ARG A 36 4.547 8.194 -0.513 1.00 0.00 C ATOM 486 C ARG A 36 3.957 7.508 -1.742 1.00 0.00 C ATOM 487 O ARG A 36 3.028 6.707 -1.632 1.00 0.00 O ATOM 488 CB ARG A 36 5.862 7.519 -0.121 1.00 0.00 C ATOM 489 CG ARG A 36 7.076 8.087 -0.838 1.00 0.00 C ATOM 490 CD ARG A 36 7.693 9.239 -0.061 1.00 0.00 C ATOM 491 NE ARG A 36 8.692 8.778 0.900 1.00 0.00 N ATOM 492 CZ ARG A 36 9.038 9.463 1.984 1.00 0.00 C ATOM 493 NH1 ARG A 36 8.470 10.632 2.244 1.00 0.00 N ATOM 494 NH2 ARG A 36 9.955 8.977 2.812 1.00 0.00 N ATOM 0 H ARG A 36 3.169 7.252 0.757 1.00 0.00 H new ATOM 0 HA ARG A 36 4.742 9.238 -0.759 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.006 7.620 0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.791 6.452 -0.334 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.819 7.301 -0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.786 8.430 -1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.155 9.939 -0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.908 9.783 0.465 1.00 0.00 H new ATOM 0 HE ARG A 36 9.148 7.882 0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.765 11.008 1.611 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.738 11.155 3.077 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.394 8.077 2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.221 9.503 3.644 1.00 0.00 H new ATOM 508 N SER A 37 4.502 7.828 -2.911 1.00 0.00 N ATOM 509 CA SER A 37 4.027 7.246 -4.161 1.00 0.00 C ATOM 510 C SER A 37 3.577 5.803 -3.952 1.00 0.00 C ATOM 511 O SER A 37 4.319 4.983 -3.410 1.00 0.00 O ATOM 512 CB SER A 37 5.126 7.301 -5.224 1.00 0.00 C ATOM 513 OG SER A 37 5.445 8.640 -5.558 1.00 0.00 O ATOM 0 H SER A 37 5.273 8.487 -3.019 1.00 0.00 H new ATOM 0 HA SER A 37 3.172 7.829 -4.503 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.017 6.792 -4.857 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.800 6.768 -6.117 1.00 0.00 H new ATOM 0 HG SER A 37 6.151 8.648 -6.238 1.00 0.00 H new ATOM 519 N ILE A 38 2.358 5.501 -4.385 1.00 0.00 N ATOM 520 CA ILE A 38 1.810 4.158 -4.247 1.00 0.00 C ATOM 521 C ILE A 38 2.900 3.101 -4.391 1.00 0.00 C ATOM 522 O ILE A 38 2.850 2.053 -3.749 1.00 0.00 O ATOM 523 CB ILE A 38 0.709 3.889 -5.290 1.00 0.00 C ATOM 524 CG1 ILE A 38 -0.438 4.888 -5.122 1.00 0.00 C ATOM 525 CG2 ILE A 38 0.198 2.461 -5.166 1.00 0.00 C ATOM 526 CD1 ILE A 38 -1.160 5.201 -6.414 1.00 0.00 C ATOM 0 H ILE A 38 1.731 6.168 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 38 1.377 4.096 -3.249 1.00 0.00 H new ATOM 0 HB ILE A 38 1.134 4.016 -6.286 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.153 4.490 -4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.045 5.813 -4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.579 2.287 -5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.020 1.765 -5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.213 2.307 -4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.960 5.915 -6.220 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.457 5.629 -7.129 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.584 4.285 -6.825 1.00 0.00 H new ATOM 538 N GLU A 39 3.885 3.387 -5.237 1.00 0.00 N ATOM 539 CA GLU A 39 4.988 2.461 -5.465 1.00 0.00 C ATOM 540 C GLU A 39 5.703 2.135 -4.156 1.00 0.00 C ATOM 541 O GLU A 39 5.922 0.968 -3.831 1.00 0.00 O ATOM 542 CB GLU A 39 5.981 3.052 -6.467 1.00 0.00 C ATOM 543 CG GLU A 39 5.361 3.387 -7.813 1.00 0.00 C ATOM 544 CD GLU A 39 6.396 3.532 -8.912 1.00 0.00 C ATOM 545 OE1 GLU A 39 6.913 2.498 -9.382 1.00 0.00 O ATOM 546 OE2 GLU A 39 6.688 4.682 -9.303 1.00 0.00 O ATOM 0 H GLU A 39 3.942 4.252 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 39 4.576 1.539 -5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.418 3.956 -6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.796 2.345 -6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.652 2.605 -8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.795 4.315 -7.727 1.00 0.00 H new ATOM 553 N ALA A 40 6.064 3.174 -3.411 1.00 0.00 N ATOM 554 CA ALA A 40 6.752 2.999 -2.138 1.00 0.00 C ATOM 555 C ALA A 40 6.098 1.901 -1.307 1.00 0.00 C ATOM 556 O ALA A 40 6.697 0.855 -1.060 1.00 0.00 O ATOM 557 CB ALA A 40 6.772 4.309 -1.365 1.00 0.00 C ATOM 0 H ALA A 40 5.891 4.146 -3.667 1.00 0.00 H new ATOM 0 HA ALA A 40 7.779 2.697 -2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.289 4.164 -0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.292 5.068 -1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.749 4.635 -1.175 1.00 0.00 H new ATOM 563 N ALA A 41 4.864 2.147 -0.876 1.00 0.00 N ATOM 564 CA ALA A 41 4.128 1.179 -0.073 1.00 0.00 C ATOM 565 C ALA A 41 4.223 -0.219 -0.675 1.00 0.00 C ATOM 566 O ALA A 41 4.441 -1.200 0.037 1.00 0.00 O ATOM 567 CB ALA A 41 2.672 1.601 0.059 1.00 0.00 C ATOM 0 H ALA A 41 4.354 3.009 -1.070 1.00 0.00 H new ATOM 0 HA ALA A 41 4.578 1.150 0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.134 0.869 0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.618 2.577 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.219 1.660 -0.931 1.00 0.00 H new ATOM 573 N LEU A 42 4.057 -0.304 -1.991 1.00 0.00 N ATOM 574 CA LEU A 42 4.124 -1.583 -2.689 1.00 0.00 C ATOM 575 C LEU A 42 5.531 -2.167 -2.622 1.00 0.00 C ATOM 576 O LEU A 42 5.716 -3.378 -2.740 1.00 0.00 O ATOM 577 CB LEU A 42 3.699 -1.412 -4.149 1.00 0.00 C ATOM 578 CG LEU A 42 2.271 -0.916 -4.379 1.00 0.00 C ATOM 579 CD1 LEU A 42 2.075 -0.508 -5.831 1.00 0.00 C ATOM 580 CD2 LEU A 42 1.265 -1.986 -3.983 1.00 0.00 C ATOM 0 H LEU A 42 3.875 0.497 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 42 3.440 -2.274 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.386 -0.714 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.815 -2.370 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 42 2.105 -0.040 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.053 -0.158 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.772 0.292 -6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.260 -1.366 -6.478 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.254 -1.616 -4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.430 -2.881 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.389 -2.230 -2.928 1.00 0.00 H new ATOM 592 N GLU A 43 6.519 -1.299 -2.430 1.00 0.00 N ATOM 593 CA GLU A 43 7.909 -1.730 -2.346 1.00 0.00 C ATOM 594 C GLU A 43 8.238 -2.237 -0.945 1.00 0.00 C ATOM 595 O GLU A 43 8.784 -3.328 -0.780 1.00 0.00 O ATOM 596 CB GLU A 43 8.847 -0.579 -2.717 1.00 0.00 C ATOM 597 CG GLU A 43 10.280 -0.789 -2.256 1.00 0.00 C ATOM 598 CD GLU A 43 11.003 -1.848 -3.065 1.00 0.00 C ATOM 599 OE1 GLU A 43 10.579 -3.022 -3.021 1.00 0.00 O ATOM 600 OE2 GLU A 43 11.994 -1.503 -3.742 1.00 0.00 O ATOM 0 H GLU A 43 6.382 -0.293 -2.330 1.00 0.00 H new ATOM 0 HA GLU A 43 8.052 -2.548 -3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.838 -0.448 -3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.466 0.344 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.823 0.153 -2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.281 -1.076 -1.205 1.00 0.00 H new ATOM 607 N TYR A 44 7.902 -1.437 0.061 1.00 0.00 N ATOM 608 CA TYR A 44 8.163 -1.803 1.448 1.00 0.00 C ATOM 609 C TYR A 44 7.657 -3.211 1.746 1.00 0.00 C ATOM 610 O TYR A 44 8.346 -4.009 2.381 1.00 0.00 O ATOM 611 CB TYR A 44 7.501 -0.800 2.395 1.00 0.00 C ATOM 612 CG TYR A 44 7.373 -1.302 3.816 1.00 0.00 C ATOM 613 CD1 TYR A 44 8.500 -1.552 4.589 1.00 0.00 C ATOM 614 CD2 TYR A 44 6.125 -1.525 4.384 1.00 0.00 C ATOM 615 CE1 TYR A 44 8.387 -2.011 5.887 1.00 0.00 C ATOM 616 CE2 TYR A 44 6.003 -1.983 5.682 1.00 0.00 C ATOM 617 CZ TYR A 44 7.137 -2.225 6.429 1.00 0.00 C ATOM 618 OH TYR A 44 7.021 -2.681 7.722 1.00 0.00 O ATOM 0 H TYR A 44 7.448 -0.531 -0.058 1.00 0.00 H new ATOM 0 HA TYR A 44 9.242 -1.784 1.605 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.080 0.123 2.396 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.510 -0.554 2.015 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.480 -1.385 4.168 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.235 -1.337 3.801 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.273 -2.201 6.474 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.025 -2.151 6.109 1.00 0.00 H new ATOM 0 HH TYR A 44 6.073 -2.778 7.951 1.00 0.00 H new ATOM 628 N ILE A 45 6.448 -3.508 1.281 1.00 0.00 N ATOM 629 CA ILE A 45 5.849 -4.819 1.495 1.00 0.00 C ATOM 630 C ILE A 45 6.682 -5.917 0.843 1.00 0.00 C ATOM 631 O ILE A 45 7.051 -6.897 1.490 1.00 0.00 O ATOM 632 CB ILE A 45 4.414 -4.881 0.938 1.00 0.00 C ATOM 633 CG1 ILE A 45 3.575 -3.732 1.502 1.00 0.00 C ATOM 634 CG2 ILE A 45 3.775 -6.221 1.268 1.00 0.00 C ATOM 635 CD1 ILE A 45 2.358 -3.405 0.666 1.00 0.00 C ATOM 0 H ILE A 45 5.865 -2.858 0.754 1.00 0.00 H new ATOM 0 HA ILE A 45 5.819 -4.979 2.573 1.00 0.00 H new ATOM 0 HB ILE A 45 4.456 -4.778 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.254 -3.989 2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.200 -2.842 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.762 -6.249 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.363 -7.024 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.742 -6.352 2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.811 -2.582 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.672 -3.117 -0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.712 -4.281 0.606 1.00 0.00 H new ATOM 647 N SER A 46 6.977 -5.745 -0.441 1.00 0.00 N ATOM 648 CA SER A 46 7.766 -6.722 -1.182 1.00 0.00 C ATOM 649 C SER A 46 9.088 -7.002 -0.475 1.00 0.00 C ATOM 650 O SER A 46 9.442 -8.155 -0.225 1.00 0.00 O ATOM 651 CB SER A 46 8.031 -6.223 -2.604 1.00 0.00 C ATOM 652 OG SER A 46 8.682 -7.214 -3.379 1.00 0.00 O ATOM 0 H SER A 46 6.681 -4.938 -0.990 1.00 0.00 H new ATOM 0 HA SER A 46 7.196 -7.650 -1.230 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.089 -5.947 -3.078 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.645 -5.323 -2.568 1.00 0.00 H new ATOM 0 HG SER A 46 8.839 -6.871 -4.284 1.00 0.00 H new ATOM 658 N LYS A 47 9.816 -5.938 -0.153 1.00 0.00 N ATOM 659 CA LYS A 47 11.100 -6.065 0.527 1.00 0.00 C ATOM 660 C LYS A 47 10.998 -7.029 1.705 1.00 0.00 C ATOM 661 O LYS A 47 11.811 -7.942 1.845 1.00 0.00 O ATOM 662 CB LYS A 47 11.581 -4.697 1.014 1.00 0.00 C ATOM 663 CG LYS A 47 13.028 -4.689 1.475 1.00 0.00 C ATOM 664 CD LYS A 47 13.558 -3.273 1.623 1.00 0.00 C ATOM 665 CE LYS A 47 15.076 -3.234 1.533 1.00 0.00 C ATOM 666 NZ LYS A 47 15.719 -3.752 2.772 1.00 0.00 N ATOM 0 H LYS A 47 9.538 -4.977 -0.352 1.00 0.00 H new ATOM 0 HA LYS A 47 11.822 -6.464 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.461 -3.972 0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.945 -4.369 1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.110 -5.211 2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.642 -5.235 0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.130 -2.640 0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.238 -2.862 2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.404 -3.826 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.403 -2.209 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.753 -3.709 2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.426 -3.172 3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.428 -4.738 2.928 1.00 0.00 H new ATOM 680 N MET A 48 9.993 -6.820 2.549 1.00 0.00 N ATOM 681 CA MET A 48 9.784 -7.672 3.714 1.00 0.00 C ATOM 682 C MET A 48 9.750 -9.143 3.312 1.00 0.00 C ATOM 683 O MET A 48 10.528 -9.952 3.818 1.00 0.00 O ATOM 684 CB MET A 48 8.481 -7.295 4.421 1.00 0.00 C ATOM 685 CG MET A 48 8.365 -7.863 5.827 1.00 0.00 C ATOM 686 SD MET A 48 6.654 -8.112 6.337 1.00 0.00 S ATOM 687 CE MET A 48 6.319 -9.721 5.623 1.00 0.00 C ATOM 0 H MET A 48 9.311 -6.068 2.448 1.00 0.00 H new ATOM 0 HA MET A 48 10.618 -7.519 4.399 1.00 0.00 H new ATOM 0 HB2 MET A 48 8.405 -6.209 4.470 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.639 -7.647 3.825 1.00 0.00 H new ATOM 0 HG2 MET A 48 8.896 -8.813 5.876 1.00 0.00 H new ATOM 0 HG3 MET A 48 8.855 -7.188 6.529 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.295 -10.015 5.853 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.449 -9.674 4.542 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.009 -10.455 6.040 1.00 0.00 H new ATOM 697 N SER A 49 8.845 -9.482 2.400 1.00 0.00 N ATOM 698 CA SER A 49 8.707 -10.857 1.934 1.00 0.00 C ATOM 699 C SER A 49 10.025 -11.371 1.362 1.00 0.00 C ATOM 700 O SER A 49 10.592 -12.344 1.858 1.00 0.00 O ATOM 701 CB SER A 49 7.608 -10.951 0.874 1.00 0.00 C ATOM 702 OG SER A 49 7.848 -10.048 -0.191 1.00 0.00 O ATOM 0 H SER A 49 8.196 -8.824 1.969 1.00 0.00 H new ATOM 0 HA SER A 49 8.433 -11.478 2.787 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.557 -11.969 0.487 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.641 -10.734 1.328 1.00 0.00 H new ATOM 0 HG SER A 49 8.118 -9.179 0.172 1.00 0.00 H new ATOM 708 N GLY A 50 10.507 -10.709 0.315 1.00 0.00 N ATOM 709 CA GLY A 50 11.754 -11.112 -0.308 1.00 0.00 C ATOM 710 C GLY A 50 12.834 -11.429 0.708 1.00 0.00 C ATOM 711 O GLY A 50 12.910 -10.820 1.775 1.00 0.00 O ATOM 0 H GLY A 50 10.056 -9.900 -0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.578 -11.988 -0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.101 -10.316 -0.967 1.00 0.00 H new ATOM 715 N PRO A 51 13.693 -12.405 0.379 1.00 0.00 N ATOM 716 CA PRO A 51 14.789 -12.824 1.258 1.00 0.00 C ATOM 717 C PRO A 51 15.881 -11.766 1.369 1.00 0.00 C ATOM 718 O PRO A 51 15.784 -10.695 0.769 1.00 0.00 O ATOM 719 CB PRO A 51 15.331 -14.082 0.574 1.00 0.00 C ATOM 720 CG PRO A 51 14.968 -13.918 -0.862 1.00 0.00 C ATOM 721 CD PRO A 51 13.662 -13.173 -0.877 1.00 0.00 C ATOM 0 HA PRO A 51 14.450 -12.990 2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 51 16.410 -14.169 0.702 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.886 -14.984 0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.739 -13.365 -1.399 1.00 0.00 H new ATOM 0 HG3 PRO A 51 14.870 -14.886 -1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.582 -12.520 -1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.811 -13.854 -0.911 1.00 0.00 H new ATOM 729 N SER A 52 16.920 -12.073 2.139 1.00 0.00 N ATOM 730 CA SER A 52 18.029 -11.146 2.331 1.00 0.00 C ATOM 731 C SER A 52 18.904 -11.080 1.083 1.00 0.00 C ATOM 732 O SER A 52 19.047 -12.065 0.359 1.00 0.00 O ATOM 733 CB SER A 52 18.871 -11.568 3.537 1.00 0.00 C ATOM 734 OG SER A 52 18.236 -11.210 4.752 1.00 0.00 O ATOM 0 H SER A 52 17.017 -12.956 2.640 1.00 0.00 H new ATOM 0 HA SER A 52 17.614 -10.155 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 52 19.034 -12.645 3.512 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.852 -11.096 3.483 1.00 0.00 H new ATOM 0 HG SER A 52 18.793 -11.492 5.508 1.00 0.00 H new ATOM 740 N SER A 53 19.488 -9.911 0.839 1.00 0.00 N ATOM 741 CA SER A 53 20.347 -9.714 -0.323 1.00 0.00 C ATOM 742 C SER A 53 21.400 -8.646 -0.045 1.00 0.00 C ATOM 743 O SER A 53 21.323 -7.925 0.948 1.00 0.00 O ATOM 744 CB SER A 53 19.510 -9.316 -1.541 1.00 0.00 C ATOM 745 OG SER A 53 18.584 -10.335 -1.879 1.00 0.00 O ATOM 0 H SER A 53 19.382 -9.086 1.430 1.00 0.00 H new ATOM 0 HA SER A 53 20.855 -10.655 -0.532 1.00 0.00 H new ATOM 0 HB2 SER A 53 18.975 -8.389 -1.332 1.00 0.00 H new ATOM 0 HB3 SER A 53 20.166 -9.121 -2.389 1.00 0.00 H new ATOM 0 HG SER A 53 18.061 -10.056 -2.659 1.00 0.00 H new ATOM 751 N GLY A 54 22.387 -8.552 -0.932 1.00 0.00 N ATOM 752 CA GLY A 54 23.442 -7.571 -0.766 1.00 0.00 C ATOM 753 C GLY A 54 23.940 -7.491 0.664 1.00 0.00 C ATOM 754 O GLY A 54 24.433 -6.451 1.100 1.00 0.00 O ATOM 0 H GLY A 54 22.474 -9.138 -1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 54 24.274 -7.822 -1.424 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.076 -6.592 -1.075 1.00 0.00 H new TER 758 GLY A 54