USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=17 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 Set 1.1: A 32 GLN : amide:sc= -0.575 K(o=-0.6,f=-4.1!) USER MOD Set 1.2: A 44 TYR OH : rot 30:sc= -0.0295 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 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -3.73! K(o=-3.7!,f=-0.78) USER MOD Single : A 11 GLN : amide:sc= -0.0109 K(o=-0.011,f=-2.1!) USER MOD Single : A 12 MET CE :methyl -141:sc= -5.32! (180deg=-6.26!) USER MOD Single : A 14 GLN : amide:sc= -0.0303 X(o=-0.03,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.692 K(o=-0.69,f=-2.3!) USER MOD Single : A 21 CYS SG : rot 100:sc= -2.69! USER MOD Single : A 23 GLN : amide:sc= -0.859 K(o=-0.86,f=-1.4!) USER MOD Single : A 25 MET CE :methyl -167:sc= 0 (180deg=-0.0973) USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.536) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 150:sc= -0.0916 USER MOD Single : A 37 SER OG : rot 15:sc= 0.592 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -156:sc= -0.178 (180deg=-0.766) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 36:sc= 0.278 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 -2.181 21.308 5.198 1.00 0.00 N ATOM 2 CA GLY A 1 -2.783 20.174 5.875 1.00 0.00 C ATOM 3 C GLY A 1 -4.296 20.178 5.779 1.00 0.00 C ATOM 4 O GLY A 1 -4.856 20.410 4.708 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.146 21.260 5.292 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.438 21.287 4.190 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.527 22.191 5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.397 19.250 5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.489 20.183 6.924 1.00 0.00 H new ATOM 8 N SER A 2 -4.959 19.918 6.901 1.00 0.00 N ATOM 9 CA SER A 2 -6.417 19.887 6.938 1.00 0.00 C ATOM 10 C SER A 2 -6.921 19.740 8.370 1.00 0.00 C ATOM 11 O SER A 2 -6.139 19.521 9.296 1.00 0.00 O ATOM 12 CB SER A 2 -6.945 18.737 6.078 1.00 0.00 C ATOM 13 OG SER A 2 -6.711 17.485 6.701 1.00 0.00 O ATOM 0 H SER A 2 -4.510 19.726 7.797 1.00 0.00 H new ATOM 0 HA SER A 2 -6.787 20.831 6.537 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.014 18.868 5.907 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.461 18.757 5.102 1.00 0.00 H new ATOM 0 HG SER A 2 -7.059 16.767 6.133 1.00 0.00 H new ATOM 19 N SER A 3 -8.233 19.862 8.545 1.00 0.00 N ATOM 20 CA SER A 3 -8.843 19.746 9.864 1.00 0.00 C ATOM 21 C SER A 3 -9.941 18.687 9.864 1.00 0.00 C ATOM 22 O SER A 3 -11.095 18.973 9.546 1.00 0.00 O ATOM 23 CB SER A 3 -9.418 21.094 10.303 1.00 0.00 C ATOM 24 OG SER A 3 -9.910 21.031 11.630 1.00 0.00 O ATOM 0 H SER A 3 -8.894 20.041 7.789 1.00 0.00 H new ATOM 0 HA SER A 3 -8.070 19.442 10.569 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.647 21.862 10.234 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.222 21.387 9.627 1.00 0.00 H new ATOM 0 HG SER A 3 -10.271 21.905 11.887 1.00 0.00 H new ATOM 30 N GLY A 4 -9.572 17.462 10.224 1.00 0.00 N ATOM 31 CA GLY A 4 -10.536 16.377 10.259 1.00 0.00 C ATOM 32 C GLY A 4 -10.070 15.214 11.112 1.00 0.00 C ATOM 33 O GLY A 4 -10.137 15.270 12.340 1.00 0.00 O ATOM 0 H GLY A 4 -8.623 17.201 10.492 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.484 16.750 10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.722 16.027 9.243 1.00 0.00 H new ATOM 37 N SER A 5 -9.598 14.157 10.461 1.00 0.00 N ATOM 38 CA SER A 5 -9.123 12.972 11.167 1.00 0.00 C ATOM 39 C SER A 5 -7.652 12.710 10.861 1.00 0.00 C ATOM 40 O SER A 5 -7.151 13.084 9.801 1.00 0.00 O ATOM 41 CB SER A 5 -9.962 11.752 10.781 1.00 0.00 C ATOM 42 OG SER A 5 -9.952 11.550 9.379 1.00 0.00 O ATOM 0 H SER A 5 -9.534 14.096 9.445 1.00 0.00 H new ATOM 0 HA SER A 5 -9.226 13.151 12.237 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.573 10.866 11.282 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.987 11.888 11.125 1.00 0.00 H new ATOM 0 HG SER A 5 -10.494 10.764 9.158 1.00 0.00 H new ATOM 48 N SER A 6 -6.965 12.064 11.798 1.00 0.00 N ATOM 49 CA SER A 6 -5.550 11.754 11.632 1.00 0.00 C ATOM 50 C SER A 6 -5.347 10.265 11.371 1.00 0.00 C ATOM 51 O SER A 6 -5.896 9.419 12.076 1.00 0.00 O ATOM 52 CB SER A 6 -4.764 12.178 12.874 1.00 0.00 C ATOM 53 OG SER A 6 -3.368 12.056 12.660 1.00 0.00 O ATOM 0 H SER A 6 -7.366 11.745 12.680 1.00 0.00 H new ATOM 0 HA SER A 6 -5.180 12.310 10.770 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.007 13.210 13.128 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.060 11.562 13.723 1.00 0.00 H new ATOM 0 HG SER A 6 -2.888 12.335 13.468 1.00 0.00 H new ATOM 59 N GLY A 7 -4.554 9.952 10.351 1.00 0.00 N ATOM 60 CA GLY A 7 -4.292 8.565 10.013 1.00 0.00 C ATOM 61 C GLY A 7 -3.562 8.417 8.693 1.00 0.00 C ATOM 62 O GLY A 7 -2.700 9.229 8.357 1.00 0.00 O ATOM 0 H GLY A 7 -4.088 10.634 9.753 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.700 8.107 10.805 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.236 8.021 9.966 1.00 0.00 H new ATOM 66 N VAL A 8 -3.908 7.377 7.941 1.00 0.00 N ATOM 67 CA VAL A 8 -3.279 7.125 6.649 1.00 0.00 C ATOM 68 C VAL A 8 -4.077 7.761 5.517 1.00 0.00 C ATOM 69 O VAL A 8 -5.296 7.902 5.606 1.00 0.00 O ATOM 70 CB VAL A 8 -3.138 5.615 6.379 1.00 0.00 C ATOM 71 CG1 VAL A 8 -2.250 5.370 5.169 1.00 0.00 C ATOM 72 CG2 VAL A 8 -2.589 4.904 7.606 1.00 0.00 C ATOM 0 H VAL A 8 -4.620 6.695 8.204 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.286 7.574 6.686 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.126 5.208 6.163 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.162 4.298 4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.690 5.846 4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.261 5.790 5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.496 3.838 7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.609 5.312 7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.268 5.051 8.446 1.00 0.00 H new ATOM 82 N ASN A 9 -3.380 8.142 4.451 1.00 0.00 N ATOM 83 CA ASN A 9 -4.024 8.764 3.299 1.00 0.00 C ATOM 84 C ASN A 9 -4.976 7.787 2.615 1.00 0.00 C ATOM 85 O ASN A 9 -4.578 6.690 2.222 1.00 0.00 O ATOM 86 CB ASN A 9 -2.971 9.251 2.302 1.00 0.00 C ATOM 87 CG ASN A 9 -3.434 10.465 1.520 1.00 0.00 C ATOM 88 OD1 ASN A 9 -2.939 11.574 1.724 1.00 0.00 O ATOM 89 ND2 ASN A 9 -4.388 10.261 0.619 1.00 0.00 N ATOM 0 H ASN A 9 -2.370 8.031 4.361 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.601 9.618 3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.053 9.495 2.837 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.731 8.445 1.608 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.739 11.040 0.063 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.769 9.325 0.483 1.00 0.00 H new ATOM 96 N ARG A 10 -6.233 8.193 2.477 1.00 0.00 N ATOM 97 CA ARG A 10 -7.242 7.354 1.841 1.00 0.00 C ATOM 98 C ARG A 10 -7.029 7.297 0.331 1.00 0.00 C ATOM 99 O ARG A 10 -7.209 6.251 -0.291 1.00 0.00 O ATOM 100 CB ARG A 10 -8.644 7.882 2.150 1.00 0.00 C ATOM 101 CG ARG A 10 -8.819 9.360 1.842 1.00 0.00 C ATOM 102 CD ARG A 10 -10.283 9.717 1.635 1.00 0.00 C ATOM 103 NE ARG A 10 -10.939 8.813 0.693 1.00 0.00 N ATOM 104 CZ ARG A 10 -12.249 8.805 0.474 1.00 0.00 C ATOM 105 NH1 ARG A 10 -13.039 9.647 1.125 1.00 0.00 N ATOM 106 NH2 ARG A 10 -12.771 7.953 -0.399 1.00 0.00 N ATOM 0 H ARG A 10 -6.578 9.098 2.797 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.145 6.345 2.242 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.373 7.311 1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.864 7.710 3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.411 9.954 2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.251 9.616 0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.803 9.683 2.592 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.358 10.740 1.268 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.359 8.152 0.175 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.641 10.304 1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.045 9.638 0.954 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.166 7.304 -0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.777 7.947 -0.567 1.00 0.00 H new ATOM 120 N GLN A 11 -6.646 8.430 -0.250 1.00 0.00 N ATOM 121 CA GLN A 11 -6.410 8.508 -1.687 1.00 0.00 C ATOM 122 C GLN A 11 -5.339 7.512 -2.118 1.00 0.00 C ATOM 123 O GLN A 11 -5.461 6.866 -3.158 1.00 0.00 O ATOM 124 CB GLN A 11 -5.991 9.927 -2.079 1.00 0.00 C ATOM 125 CG GLN A 11 -5.750 10.099 -3.570 1.00 0.00 C ATOM 126 CD GLN A 11 -7.034 10.310 -4.348 1.00 0.00 C ATOM 127 OE1 GLN A 11 -8.123 9.998 -3.868 1.00 0.00 O ATOM 128 NE2 GLN A 11 -6.912 10.844 -5.558 1.00 0.00 N ATOM 0 H GLN A 11 -6.493 9.305 0.251 1.00 0.00 H new ATOM 0 HA GLN A 11 -7.340 8.256 -2.197 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.764 10.626 -1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.081 10.191 -1.539 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.088 10.950 -3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.237 9.218 -3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.989 11.088 -5.917 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.741 11.010 -6.128 1.00 0.00 H new ATOM 137 N MET A 12 -4.289 7.393 -1.312 1.00 0.00 N ATOM 138 CA MET A 12 -3.197 6.474 -1.610 1.00 0.00 C ATOM 139 C MET A 12 -3.636 5.026 -1.415 1.00 0.00 C ATOM 140 O MET A 12 -3.337 4.160 -2.238 1.00 0.00 O ATOM 141 CB MET A 12 -1.989 6.777 -0.721 1.00 0.00 C ATOM 142 CG MET A 12 -1.338 8.118 -1.018 1.00 0.00 C ATOM 143 SD MET A 12 -0.058 8.003 -2.283 1.00 0.00 S ATOM 144 CE MET A 12 1.421 8.121 -1.281 1.00 0.00 C ATOM 0 H MET A 12 -4.171 7.922 -0.448 1.00 0.00 H new ATOM 0 HA MET A 12 -2.914 6.612 -2.654 1.00 0.00 H new ATOM 0 HB2 MET A 12 -2.302 6.758 0.323 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.249 5.987 -0.846 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.102 8.824 -1.343 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.903 8.517 -0.102 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.164 8.726 -1.800 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.177 8.586 -0.326 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.823 7.123 -1.107 1.00 0.00 H new ATOM 154 N LEU A 13 -4.346 4.770 -0.322 1.00 0.00 N ATOM 155 CA LEU A 13 -4.826 3.426 -0.019 1.00 0.00 C ATOM 156 C LEU A 13 -5.814 2.949 -1.079 1.00 0.00 C ATOM 157 O LEU A 13 -5.588 1.935 -1.739 1.00 0.00 O ATOM 158 CB LEU A 13 -5.488 3.399 1.360 1.00 0.00 C ATOM 159 CG LEU A 13 -5.995 2.036 1.834 1.00 0.00 C ATOM 160 CD1 LEU A 13 -7.344 1.721 1.208 1.00 0.00 C ATOM 161 CD2 LEU A 13 -4.984 0.947 1.505 1.00 0.00 C ATOM 0 H LEU A 13 -4.602 5.475 0.369 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.969 2.752 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.772 3.773 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.328 4.094 1.352 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.120 2.073 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.689 0.748 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.066 2.486 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.246 1.704 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.361 -0.016 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.826 0.910 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.039 1.165 2.003 1.00 0.00 H new ATOM 173 N GLN A 14 -6.907 3.688 -1.238 1.00 0.00 N ATOM 174 CA GLN A 14 -7.928 3.340 -2.219 1.00 0.00 C ATOM 175 C GLN A 14 -7.297 3.015 -3.569 1.00 0.00 C ATOM 176 O GLN A 14 -7.897 2.327 -4.394 1.00 0.00 O ATOM 177 CB GLN A 14 -8.929 4.487 -2.373 1.00 0.00 C ATOM 178 CG GLN A 14 -10.103 4.152 -3.279 1.00 0.00 C ATOM 179 CD GLN A 14 -11.145 3.293 -2.591 1.00 0.00 C ATOM 180 OE1 GLN A 14 -12.109 3.804 -2.021 1.00 0.00 O ATOM 181 NE2 GLN A 14 -10.955 1.980 -2.639 1.00 0.00 N ATOM 0 H GLN A 14 -7.108 4.531 -0.700 1.00 0.00 H new ATOM 0 HA GLN A 14 -8.453 2.454 -1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.307 4.763 -1.389 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.411 5.359 -2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.568 5.076 -3.621 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.737 3.633 -4.165 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.141 1.600 -3.123 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.623 1.351 -2.192 1.00 0.00 H new ATOM 190 N GLU A 15 -6.085 3.515 -3.786 1.00 0.00 N ATOM 191 CA GLU A 15 -5.374 3.278 -5.037 1.00 0.00 C ATOM 192 C GLU A 15 -4.593 1.968 -4.979 1.00 0.00 C ATOM 193 O GLU A 15 -4.833 1.053 -5.768 1.00 0.00 O ATOM 194 CB GLU A 15 -4.423 4.438 -5.337 1.00 0.00 C ATOM 195 CG GLU A 15 -3.553 4.211 -6.561 1.00 0.00 C ATOM 196 CD GLU A 15 -4.361 3.856 -7.794 1.00 0.00 C ATOM 197 OE1 GLU A 15 -5.331 4.582 -8.098 1.00 0.00 O ATOM 198 OE2 GLU A 15 -4.023 2.852 -8.455 1.00 0.00 O ATOM 0 H GLU A 15 -5.575 4.086 -3.112 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.112 3.207 -5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.007 5.347 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.782 4.604 -4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.970 5.111 -6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.843 3.410 -6.354 1.00 0.00 H new ATOM 205 N LEU A 16 -3.657 1.885 -4.039 1.00 0.00 N ATOM 206 CA LEU A 16 -2.840 0.688 -3.878 1.00 0.00 C ATOM 207 C LEU A 16 -3.714 -0.555 -3.743 1.00 0.00 C ATOM 208 O LEU A 16 -3.377 -1.622 -4.254 1.00 0.00 O ATOM 209 CB LEU A 16 -1.936 0.825 -2.651 1.00 0.00 C ATOM 210 CG LEU A 16 -2.567 0.454 -1.308 1.00 0.00 C ATOM 211 CD1 LEU A 16 -2.456 -1.042 -1.062 1.00 0.00 C ATOM 212 CD2 LEU A 16 -1.910 1.233 -0.177 1.00 0.00 C ATOM 0 H LEU A 16 -3.446 2.632 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.221 0.579 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.056 0.200 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.588 1.857 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.624 0.719 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.910 -1.288 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.973 -1.581 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.405 -1.332 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.371 0.957 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.846 0.999 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.042 2.302 -0.347 1.00 0.00 H new ATOM 224 N VAL A 17 -4.840 -0.407 -3.053 1.00 0.00 N ATOM 225 CA VAL A 17 -5.765 -1.517 -2.853 1.00 0.00 C ATOM 226 C VAL A 17 -6.346 -1.993 -4.180 1.00 0.00 C ATOM 227 O VAL A 17 -6.611 -3.180 -4.362 1.00 0.00 O ATOM 228 CB VAL A 17 -6.920 -1.123 -1.913 1.00 0.00 C ATOM 229 CG1 VAL A 17 -7.904 -0.210 -2.628 1.00 0.00 C ATOM 230 CG2 VAL A 17 -7.620 -2.364 -1.381 1.00 0.00 C ATOM 0 H VAL A 17 -5.134 0.470 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.195 -2.326 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.506 -0.576 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.713 0.057 -1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.390 0.694 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.315 -0.726 -3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.433 -2.067 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.022 -2.940 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.907 -2.975 -0.828 1.00 0.00 H new ATOM 240 N ASN A 18 -6.540 -1.058 -5.105 1.00 0.00 N ATOM 241 CA ASN A 18 -7.090 -1.383 -6.416 1.00 0.00 C ATOM 242 C ASN A 18 -6.300 -2.511 -7.073 1.00 0.00 C ATOM 243 O ASN A 18 -6.877 -3.431 -7.651 1.00 0.00 O ATOM 244 CB ASN A 18 -7.079 -0.146 -7.317 1.00 0.00 C ATOM 245 CG ASN A 18 -7.823 -0.372 -8.619 1.00 0.00 C ATOM 246 OD1 ASN A 18 -7.652 -1.400 -9.274 1.00 0.00 O ATOM 247 ND2 ASN A 18 -8.654 0.591 -9.000 1.00 0.00 N ATOM 0 H ASN A 18 -6.325 -0.070 -4.971 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.119 -1.716 -6.279 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.530 0.692 -6.785 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.048 0.132 -7.535 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.182 0.495 -9.867 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.764 1.426 -8.425 1.00 0.00 H new ATOM 254 N ALA A 19 -4.977 -2.432 -6.979 1.00 0.00 N ATOM 255 CA ALA A 19 -4.108 -3.448 -7.561 1.00 0.00 C ATOM 256 C ALA A 19 -4.411 -4.826 -6.983 1.00 0.00 C ATOM 257 O ALA A 19 -4.430 -5.822 -7.705 1.00 0.00 O ATOM 258 CB ALA A 19 -2.648 -3.087 -7.333 1.00 0.00 C ATOM 0 H ALA A 19 -4.483 -1.675 -6.506 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.299 -3.483 -8.634 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.011 -3.854 -7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.434 -2.126 -7.800 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.452 -3.022 -6.263 1.00 0.00 H new ATOM 264 N GLY A 20 -4.645 -4.876 -5.675 1.00 0.00 N ATOM 265 CA GLY A 20 -4.943 -6.138 -5.022 1.00 0.00 C ATOM 266 C GLY A 20 -4.142 -6.336 -3.751 1.00 0.00 C ATOM 267 O GLY A 20 -3.653 -7.434 -3.482 1.00 0.00 O ATOM 0 H GLY A 20 -4.634 -4.065 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.007 -6.180 -4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.735 -6.958 -5.710 1.00 0.00 H new ATOM 271 N CYS A 21 -4.006 -5.272 -2.968 1.00 0.00 N ATOM 272 CA CYS A 21 -3.256 -5.333 -1.718 1.00 0.00 C ATOM 273 C CYS A 21 -4.192 -5.243 -0.517 1.00 0.00 C ATOM 274 O CYS A 21 -5.130 -4.445 -0.506 1.00 0.00 O ATOM 275 CB CYS A 21 -2.226 -4.204 -1.662 1.00 0.00 C ATOM 276 SG CYS A 21 -0.643 -4.610 -2.437 1.00 0.00 S ATOM 0 H CYS A 21 -4.405 -4.357 -3.176 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.737 -6.291 -1.681 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.642 -3.323 -2.150 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.050 -3.938 -0.620 1.00 0.00 H new ATOM 0 HG CYS A 21 -0.598 -4.092 -3.628 1.00 0.00 H new ATOM 282 N ASP A 22 -3.933 -6.068 0.491 1.00 0.00 N ATOM 283 CA ASP A 22 -4.753 -6.083 1.697 1.00 0.00 C ATOM 284 C ASP A 22 -4.842 -4.689 2.311 1.00 0.00 C ATOM 285 O ASP A 22 -3.824 -4.043 2.557 1.00 0.00 O ATOM 286 CB ASP A 22 -4.179 -7.067 2.718 1.00 0.00 C ATOM 287 CG ASP A 22 -4.585 -8.500 2.433 1.00 0.00 C ATOM 288 OD1 ASP A 22 -5.771 -8.833 2.641 1.00 0.00 O ATOM 289 OD2 ASP A 22 -3.718 -9.287 2.001 1.00 0.00 O ATOM 0 H ASP A 22 -3.162 -6.735 0.497 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.757 -6.404 1.420 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.091 -6.994 2.717 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.517 -6.788 3.716 1.00 0.00 H new ATOM 294 N GLN A 23 -6.066 -4.232 2.553 1.00 0.00 N ATOM 295 CA GLN A 23 -6.288 -2.914 3.136 1.00 0.00 C ATOM 296 C GLN A 23 -5.684 -2.829 4.534 1.00 0.00 C ATOM 297 O GLN A 23 -5.037 -1.841 4.881 1.00 0.00 O ATOM 298 CB GLN A 23 -7.785 -2.604 3.194 1.00 0.00 C ATOM 299 CG GLN A 23 -8.096 -1.117 3.255 1.00 0.00 C ATOM 300 CD GLN A 23 -8.025 -0.563 4.664 1.00 0.00 C ATOM 301 OE1 GLN A 23 -8.196 -1.295 5.640 1.00 0.00 O ATOM 302 NE2 GLN A 23 -7.773 0.735 4.778 1.00 0.00 N ATOM 0 H GLN A 23 -6.919 -4.755 2.355 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.796 -2.176 2.502 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.271 -3.033 2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.215 -3.093 4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.394 -0.577 2.620 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.092 -0.941 2.849 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.638 1.304 3.942 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.714 1.164 5.702 1.00 0.00 H new ATOM 311 N GLU A 24 -5.901 -3.870 5.332 1.00 0.00 N ATOM 312 CA GLU A 24 -5.379 -3.911 6.692 1.00 0.00 C ATOM 313 C GLU A 24 -3.878 -3.633 6.708 1.00 0.00 C ATOM 314 O GLU A 24 -3.435 -2.587 7.182 1.00 0.00 O ATOM 315 CB GLU A 24 -5.663 -5.272 7.331 1.00 0.00 C ATOM 316 CG GLU A 24 -7.061 -5.796 7.050 1.00 0.00 C ATOM 317 CD GLU A 24 -8.138 -4.766 7.334 1.00 0.00 C ATOM 318 OE1 GLU A 24 -8.144 -3.715 6.660 1.00 0.00 O ATOM 319 OE2 GLU A 24 -8.973 -5.012 8.228 1.00 0.00 O ATOM 0 H GLU A 24 -6.435 -4.696 5.060 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.881 -3.135 7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.933 -5.995 6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.523 -5.194 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.126 -6.106 6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.242 -6.682 7.658 1.00 0.00 H new ATOM 326 N MET A 25 -3.102 -4.577 6.187 1.00 0.00 N ATOM 327 CA MET A 25 -1.651 -4.434 6.140 1.00 0.00 C ATOM 328 C MET A 25 -1.254 -3.183 5.363 1.00 0.00 C ATOM 329 O MET A 25 -0.317 -2.479 5.739 1.00 0.00 O ATOM 330 CB MET A 25 -1.016 -5.670 5.500 1.00 0.00 C ATOM 331 CG MET A 25 0.481 -5.534 5.271 1.00 0.00 C ATOM 332 SD MET A 25 1.289 -7.123 4.998 1.00 0.00 S ATOM 333 CE MET A 25 1.359 -7.759 6.671 1.00 0.00 C ATOM 0 H MET A 25 -3.453 -5.449 5.791 1.00 0.00 H new ATOM 0 HA MET A 25 -1.286 -4.336 7.163 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.201 -6.535 6.137 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.505 -5.867 4.546 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.656 -4.889 4.410 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.934 -5.044 6.133 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.029 -8.618 6.706 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.730 -6.983 7.340 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.361 -8.064 6.986 1.00 0.00 H new ATOM 343 N ALA A 26 -1.970 -2.914 4.276 1.00 0.00 N ATOM 344 CA ALA A 26 -1.693 -1.747 3.448 1.00 0.00 C ATOM 345 C ALA A 26 -1.436 -0.513 4.306 1.00 0.00 C ATOM 346 O ALA A 26 -0.318 -0.004 4.360 1.00 0.00 O ATOM 347 CB ALA A 26 -2.846 -1.495 2.488 1.00 0.00 C ATOM 0 H ALA A 26 -2.746 -3.489 3.948 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.791 -1.949 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.625 -0.620 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.980 -2.364 1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.760 -1.320 3.055 1.00 0.00 H new ATOM 353 N GLY A 27 -2.482 -0.035 4.974 1.00 0.00 N ATOM 354 CA GLY A 27 -2.349 1.136 5.820 1.00 0.00 C ATOM 355 C GLY A 27 -1.041 1.153 6.587 1.00 0.00 C ATOM 356 O GLY A 27 -0.266 2.104 6.485 1.00 0.00 O ATOM 0 H GLY A 27 -3.419 -0.438 4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.418 2.034 5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.180 1.167 6.525 1.00 0.00 H new ATOM 360 N ARG A 28 -0.796 0.098 7.358 1.00 0.00 N ATOM 361 CA ARG A 28 0.426 -0.003 8.147 1.00 0.00 C ATOM 362 C ARG A 28 1.631 0.483 7.348 1.00 0.00 C ATOM 363 O ARG A 28 2.362 1.370 7.787 1.00 0.00 O ATOM 364 CB ARG A 28 0.648 -1.448 8.598 1.00 0.00 C ATOM 365 CG ARG A 28 -0.265 -1.879 9.735 1.00 0.00 C ATOM 366 CD ARG A 28 -0.351 -3.393 9.837 1.00 0.00 C ATOM 367 NE ARG A 28 -0.818 -3.828 11.151 1.00 0.00 N ATOM 368 CZ ARG A 28 -0.832 -5.097 11.543 1.00 0.00 C ATOM 369 NH1 ARG A 28 -0.406 -6.051 10.727 1.00 0.00 N ATOM 370 NH2 ARG A 28 -1.271 -5.414 12.754 1.00 0.00 N ATOM 0 H ARG A 28 -1.427 -0.698 7.453 1.00 0.00 H new ATOM 0 HA ARG A 28 0.315 0.632 9.026 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.494 -2.113 7.748 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.685 -1.566 8.911 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.105 -1.470 10.675 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.262 -1.467 9.579 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.027 -3.770 9.069 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.630 -3.826 9.639 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.152 -3.118 11.803 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.066 -5.811 9.796 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.418 -7.025 11.031 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.598 -4.683 13.385 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.281 -6.389 13.054 1.00 0.00 H new ATOM 384 N ALA A 29 1.832 -0.105 6.174 1.00 0.00 N ATOM 385 CA ALA A 29 2.948 0.269 5.313 1.00 0.00 C ATOM 386 C ALA A 29 2.822 1.716 4.849 1.00 0.00 C ATOM 387 O ALA A 29 3.752 2.510 5.000 1.00 0.00 O ATOM 388 CB ALA A 29 3.027 -0.667 4.116 1.00 0.00 C ATOM 0 H ALA A 29 1.237 -0.842 5.797 1.00 0.00 H new ATOM 0 HA ALA A 29 3.868 0.180 5.891 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.864 -0.376 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.172 -1.690 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.101 -0.606 3.545 1.00 0.00 H new ATOM 394 N LEU A 30 1.668 2.053 4.283 1.00 0.00 N ATOM 395 CA LEU A 30 1.421 3.405 3.796 1.00 0.00 C ATOM 396 C LEU A 30 1.932 4.444 4.790 1.00 0.00 C ATOM 397 O LEU A 30 2.609 5.401 4.412 1.00 0.00 O ATOM 398 CB LEU A 30 -0.073 3.613 3.546 1.00 0.00 C ATOM 399 CG LEU A 30 -0.590 3.188 2.171 1.00 0.00 C ATOM 400 CD1 LEU A 30 -2.103 3.322 2.105 1.00 0.00 C ATOM 401 CD2 LEU A 30 0.069 4.014 1.076 1.00 0.00 C ATOM 0 H LEU A 30 0.889 1.408 4.150 1.00 0.00 H new ATOM 0 HA LEU A 30 1.961 3.531 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.628 3.063 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.301 4.670 3.687 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.332 2.141 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.453 3.015 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.558 2.687 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.384 4.360 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.310 3.698 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.158 5.069 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.149 3.867 1.109 1.00 0.00 H new ATOM 413 N LYS A 31 1.605 4.248 6.063 1.00 0.00 N ATOM 414 CA LYS A 31 2.033 5.164 7.113 1.00 0.00 C ATOM 415 C LYS A 31 3.543 5.090 7.318 1.00 0.00 C ATOM 416 O LYS A 31 4.211 6.115 7.446 1.00 0.00 O ATOM 417 CB LYS A 31 1.313 4.842 8.424 1.00 0.00 C ATOM 418 CG LYS A 31 1.134 6.046 9.332 1.00 0.00 C ATOM 419 CD LYS A 31 0.037 6.968 8.825 1.00 0.00 C ATOM 420 CE LYS A 31 -0.097 8.207 9.697 1.00 0.00 C ATOM 421 NZ LYS A 31 -0.906 7.939 10.919 1.00 0.00 N ATOM 0 H LYS A 31 1.044 3.462 6.392 1.00 0.00 H new ATOM 0 HA LYS A 31 1.776 6.177 6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.334 4.420 8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.874 4.075 8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.891 5.710 10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.072 6.597 9.397 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.255 7.266 7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.911 6.431 8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.894 8.556 9.987 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.562 9.008 9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.288 8.834 11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.690 7.298 10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.305 7.497 11.643 1.00 0.00 H new ATOM 435 N GLN A 32 4.073 3.871 7.346 1.00 0.00 N ATOM 436 CA GLN A 32 5.504 3.665 7.535 1.00 0.00 C ATOM 437 C GLN A 32 6.310 4.555 6.595 1.00 0.00 C ATOM 438 O GLN A 32 7.211 5.277 7.025 1.00 0.00 O ATOM 439 CB GLN A 32 5.864 2.197 7.301 1.00 0.00 C ATOM 440 CG GLN A 32 5.617 1.310 8.510 1.00 0.00 C ATOM 441 CD GLN A 32 6.671 1.483 9.586 1.00 0.00 C ATOM 442 OE1 GLN A 32 7.206 2.576 9.776 1.00 0.00 O ATOM 443 NE2 GLN A 32 6.974 0.404 10.297 1.00 0.00 N ATOM 0 H GLN A 32 3.533 3.012 7.240 1.00 0.00 H new ATOM 0 HA GLN A 32 5.752 3.933 8.562 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.284 1.819 6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.915 2.130 7.020 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.636 1.537 8.928 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.595 0.267 8.193 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.505 -0.481 10.105 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.675 0.460 11.035 1.00 0.00 H new ATOM 452 N THR A 33 5.983 4.499 5.308 1.00 0.00 N ATOM 453 CA THR A 33 6.677 5.298 4.306 1.00 0.00 C ATOM 454 C THR A 33 6.328 6.776 4.443 1.00 0.00 C ATOM 455 O THR A 33 7.184 7.644 4.276 1.00 0.00 O ATOM 456 CB THR A 33 6.335 4.832 2.879 1.00 0.00 C ATOM 457 OG1 THR A 33 4.923 4.927 2.658 1.00 0.00 O ATOM 458 CG2 THR A 33 6.793 3.399 2.653 1.00 0.00 C ATOM 0 H THR A 33 5.241 3.908 4.935 1.00 0.00 H new ATOM 0 HA THR A 33 7.745 5.162 4.478 1.00 0.00 H new ATOM 0 HB THR A 33 6.857 5.479 2.174 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.714 4.630 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.540 3.092 1.638 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.872 3.335 2.793 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.295 2.741 3.365 1.00 0.00 H new ATOM 466 N GLY A 34 5.065 7.055 4.750 1.00 0.00 N ATOM 467 CA GLY A 34 4.626 8.429 4.905 1.00 0.00 C ATOM 468 C GLY A 34 3.894 8.946 3.682 1.00 0.00 C ATOM 469 O GLY A 34 4.136 10.066 3.232 1.00 0.00 O ATOM 0 H GLY A 34 4.338 6.354 4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.972 8.502 5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.490 9.063 5.102 1.00 0.00 H new ATOM 473 N SER A 35 2.998 8.127 3.140 1.00 0.00 N ATOM 474 CA SER A 35 2.233 8.505 1.958 1.00 0.00 C ATOM 475 C SER A 35 3.131 9.175 0.921 1.00 0.00 C ATOM 476 O SER A 35 2.707 10.091 0.216 1.00 0.00 O ATOM 477 CB SER A 35 1.090 9.446 2.343 1.00 0.00 C ATOM 478 OG SER A 35 0.282 8.877 3.359 1.00 0.00 O ATOM 0 H SER A 35 2.784 7.197 3.501 1.00 0.00 H new ATOM 0 HA SER A 35 1.816 7.598 1.521 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.497 10.396 2.688 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.480 9.660 1.466 1.00 0.00 H new ATOM 0 HG SER A 35 -0.100 9.591 3.911 1.00 0.00 H new ATOM 484 N ARG A 36 4.373 8.711 0.835 1.00 0.00 N ATOM 485 CA ARG A 36 5.332 9.264 -0.113 1.00 0.00 C ATOM 486 C ARG A 36 4.948 8.906 -1.546 1.00 0.00 C ATOM 487 O ARG A 36 4.647 9.783 -2.356 1.00 0.00 O ATOM 488 CB ARG A 36 6.740 8.750 0.192 1.00 0.00 C ATOM 489 CG ARG A 36 7.738 9.007 -0.924 1.00 0.00 C ATOM 490 CD ARG A 36 9.168 8.995 -0.407 1.00 0.00 C ATOM 491 NE ARG A 36 10.097 9.610 -1.351 1.00 0.00 N ATOM 492 CZ ARG A 36 11.399 9.350 -1.376 1.00 0.00 C ATOM 493 NH1 ARG A 36 11.923 8.490 -0.513 1.00 0.00 N ATOM 494 NH2 ARG A 36 12.180 9.949 -2.266 1.00 0.00 N ATOM 0 H ARG A 36 4.739 7.953 1.411 1.00 0.00 H new ATOM 0 HA ARG A 36 5.320 10.349 -0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.100 9.223 1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.692 7.678 0.385 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.623 8.248 -1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.526 9.970 -1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.214 9.525 0.544 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.475 7.967 -0.214 1.00 0.00 H new ATOM 0 HE ARG A 36 9.725 10.276 -2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.326 8.027 0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.923 8.292 -0.534 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.780 10.610 -2.932 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.180 9.748 -2.284 1.00 0.00 H new ATOM 508 N SER A 37 4.961 7.613 -1.851 1.00 0.00 N ATOM 509 CA SER A 37 4.618 7.139 -3.187 1.00 0.00 C ATOM 510 C SER A 37 4.112 5.700 -3.140 1.00 0.00 C ATOM 511 O SER A 37 4.802 4.804 -2.655 1.00 0.00 O ATOM 512 CB SER A 37 5.833 7.234 -4.112 1.00 0.00 C ATOM 513 OG SER A 37 6.035 8.565 -4.553 1.00 0.00 O ATOM 0 H SER A 37 5.205 6.874 -1.191 1.00 0.00 H new ATOM 0 HA SER A 37 3.822 7.773 -3.577 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.722 6.882 -3.588 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.691 6.580 -4.972 1.00 0.00 H new ATOM 0 HG SER A 37 5.514 9.178 -3.993 1.00 0.00 H new ATOM 519 N ILE A 38 2.902 5.489 -3.647 1.00 0.00 N ATOM 520 CA ILE A 38 2.303 4.160 -3.664 1.00 0.00 C ATOM 521 C ILE A 38 3.344 3.092 -3.986 1.00 0.00 C ATOM 522 O ILE A 38 3.385 2.041 -3.347 1.00 0.00 O ATOM 523 CB ILE A 38 1.159 4.071 -4.691 1.00 0.00 C ATOM 524 CG1 ILE A 38 0.053 5.070 -4.343 1.00 0.00 C ATOM 525 CG2 ILE A 38 0.604 2.656 -4.745 1.00 0.00 C ATOM 526 CD1 ILE A 38 -0.753 5.520 -5.541 1.00 0.00 C ATOM 0 H ILE A 38 2.318 6.221 -4.051 1.00 0.00 H new ATOM 0 HA ILE A 38 1.900 3.983 -2.667 1.00 0.00 H new ATOM 0 HB ILE A 38 1.554 4.323 -5.675 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.618 4.617 -3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.500 5.943 -3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.204 2.610 -5.475 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.396 1.965 -5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.222 2.377 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.518 6.227 -5.220 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.094 6.002 -6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.229 4.656 -6.005 1.00 0.00 H new ATOM 538 N GLU A 39 4.183 3.371 -4.978 1.00 0.00 N ATOM 539 CA GLU A 39 5.224 2.434 -5.383 1.00 0.00 C ATOM 540 C GLU A 39 6.094 2.040 -4.192 1.00 0.00 C ATOM 541 O GLU A 39 6.395 0.864 -3.993 1.00 0.00 O ATOM 542 CB GLU A 39 6.094 3.047 -6.483 1.00 0.00 C ATOM 543 CG GLU A 39 5.378 3.189 -7.816 1.00 0.00 C ATOM 544 CD GLU A 39 6.335 3.210 -8.992 1.00 0.00 C ATOM 545 OE1 GLU A 39 6.908 2.147 -9.310 1.00 0.00 O ATOM 546 OE2 GLU A 39 6.511 4.290 -9.594 1.00 0.00 O ATOM 0 H GLU A 39 4.162 4.238 -5.516 1.00 0.00 H new ATOM 0 HA GLU A 39 4.740 1.538 -5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.438 4.029 -6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.981 2.428 -6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.677 2.363 -7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.791 4.108 -7.813 1.00 0.00 H new ATOM 553 N ALA A 40 6.495 3.033 -3.405 1.00 0.00 N ATOM 554 CA ALA A 40 7.328 2.791 -2.234 1.00 0.00 C ATOM 555 C ALA A 40 6.516 2.174 -1.100 1.00 0.00 C ATOM 556 O ALA A 40 7.075 1.635 -0.146 1.00 0.00 O ATOM 557 CB ALA A 40 7.981 4.086 -1.774 1.00 0.00 C ATOM 0 H ALA A 40 6.256 4.013 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 40 8.108 2.083 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.600 3.890 -0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.602 4.485 -2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.209 4.812 -1.518 1.00 0.00 H new ATOM 563 N ALA A 41 5.194 2.256 -1.212 1.00 0.00 N ATOM 564 CA ALA A 41 4.306 1.705 -0.197 1.00 0.00 C ATOM 565 C ALA A 41 4.181 0.192 -0.341 1.00 0.00 C ATOM 566 O ALA A 41 3.894 -0.513 0.628 1.00 0.00 O ATOM 567 CB ALA A 41 2.935 2.360 -0.283 1.00 0.00 C ATOM 0 H ALA A 41 4.715 2.699 -1.996 1.00 0.00 H new ATOM 0 HA ALA A 41 4.737 1.917 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.282 1.939 0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.034 3.434 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.506 2.177 -1.268 1.00 0.00 H new ATOM 573 N LEU A 42 4.397 -0.303 -1.555 1.00 0.00 N ATOM 574 CA LEU A 42 4.308 -1.733 -1.825 1.00 0.00 C ATOM 575 C LEU A 42 5.647 -2.420 -1.572 1.00 0.00 C ATOM 576 O LEU A 42 5.724 -3.389 -0.818 1.00 0.00 O ATOM 577 CB LEU A 42 3.864 -1.973 -3.269 1.00 0.00 C ATOM 578 CG LEU A 42 2.461 -1.485 -3.630 1.00 0.00 C ATOM 579 CD1 LEU A 42 2.326 -1.313 -5.135 1.00 0.00 C ATOM 580 CD2 LEU A 42 1.409 -2.451 -3.105 1.00 0.00 C ATOM 0 H LEU A 42 4.635 0.265 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 42 3.568 -2.160 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.578 -1.486 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.918 -3.043 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 42 2.302 -0.515 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.321 -0.965 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.055 -0.582 -5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.505 -2.268 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.416 -2.088 -3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.566 -3.435 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.490 -2.523 -2.020 1.00 0.00 H new ATOM 592 N GLU A 43 6.697 -1.909 -2.206 1.00 0.00 N ATOM 593 CA GLU A 43 8.033 -2.473 -2.048 1.00 0.00 C ATOM 594 C GLU A 43 8.418 -2.554 -0.573 1.00 0.00 C ATOM 595 O GLU A 43 8.953 -3.563 -0.115 1.00 0.00 O ATOM 596 CB GLU A 43 9.059 -1.632 -2.809 1.00 0.00 C ATOM 597 CG GLU A 43 8.957 -0.142 -2.524 1.00 0.00 C ATOM 598 CD GLU A 43 9.823 0.289 -1.356 1.00 0.00 C ATOM 599 OE1 GLU A 43 10.936 -0.259 -1.210 1.00 0.00 O ATOM 600 OE2 GLU A 43 9.388 1.173 -0.589 1.00 0.00 O ATOM 0 H GLU A 43 6.649 -1.106 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 43 8.025 -3.482 -2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.061 -1.975 -2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.931 -1.798 -3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.250 0.415 -3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.918 0.114 -2.315 1.00 0.00 H new ATOM 607 N TYR A 44 8.143 -1.483 0.163 1.00 0.00 N ATOM 608 CA TYR A 44 8.463 -1.430 1.585 1.00 0.00 C ATOM 609 C TYR A 44 7.988 -2.693 2.297 1.00 0.00 C ATOM 610 O TYR A 44 8.738 -3.312 3.053 1.00 0.00 O ATOM 611 CB TYR A 44 7.823 -0.198 2.228 1.00 0.00 C ATOM 612 CG TYR A 44 8.081 -0.088 3.713 1.00 0.00 C ATOM 613 CD1 TYR A 44 9.294 0.388 4.195 1.00 0.00 C ATOM 614 CD2 TYR A 44 7.111 -0.460 4.636 1.00 0.00 C ATOM 615 CE1 TYR A 44 9.534 0.490 5.551 1.00 0.00 C ATOM 616 CE2 TYR A 44 7.341 -0.360 5.994 1.00 0.00 C ATOM 617 CZ TYR A 44 8.555 0.115 6.447 1.00 0.00 C ATOM 618 OH TYR A 44 8.789 0.216 7.799 1.00 0.00 O ATOM 0 H TYR A 44 7.699 -0.640 -0.201 1.00 0.00 H new ATOM 0 HA TYR A 44 9.546 -1.363 1.685 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.202 0.697 1.735 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.747 -0.226 2.056 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.063 0.684 3.497 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.161 -0.834 4.285 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.483 0.861 5.908 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.575 -0.652 6.697 1.00 0.00 H new ATOM 0 HH TYR A 44 9.411 0.954 7.969 1.00 0.00 H new ATOM 628 N ILE A 45 6.739 -3.071 2.049 1.00 0.00 N ATOM 629 CA ILE A 45 6.164 -4.260 2.664 1.00 0.00 C ATOM 630 C ILE A 45 7.049 -5.481 2.433 1.00 0.00 C ATOM 631 O ILE A 45 7.426 -6.175 3.378 1.00 0.00 O ATOM 632 CB ILE A 45 4.754 -4.552 2.117 1.00 0.00 C ATOM 633 CG1 ILE A 45 3.803 -3.404 2.461 1.00 0.00 C ATOM 634 CG2 ILE A 45 4.231 -5.866 2.677 1.00 0.00 C ATOM 635 CD1 ILE A 45 2.516 -3.427 1.666 1.00 0.00 C ATOM 0 H ILE A 45 6.105 -2.570 1.426 1.00 0.00 H new ATOM 0 HA ILE A 45 6.096 -4.060 3.733 1.00 0.00 H new ATOM 0 HB ILE A 45 4.811 -4.639 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.565 -3.446 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.312 -2.456 2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.234 -6.059 2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.899 -6.677 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.185 -5.805 3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.890 -2.585 1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.744 -3.354 0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.985 -4.359 1.860 1.00 0.00 H new ATOM 647 N SER A 46 7.379 -5.735 1.171 1.00 0.00 N ATOM 648 CA SER A 46 8.218 -6.873 0.815 1.00 0.00 C ATOM 649 C SER A 46 9.577 -6.782 1.503 1.00 0.00 C ATOM 650 O SER A 46 10.033 -7.737 2.133 1.00 0.00 O ATOM 651 CB SER A 46 8.406 -6.941 -0.702 1.00 0.00 C ATOM 652 OG SER A 46 8.904 -8.207 -1.098 1.00 0.00 O ATOM 0 H SER A 46 7.078 -5.168 0.378 1.00 0.00 H new ATOM 0 HA SER A 46 7.718 -7.781 1.153 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.455 -6.749 -1.198 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.095 -6.159 -1.022 1.00 0.00 H new ATOM 0 HG SER A 46 9.014 -8.225 -2.072 1.00 0.00 H new ATOM 658 N LYS A 47 10.220 -5.626 1.378 1.00 0.00 N ATOM 659 CA LYS A 47 11.526 -5.406 1.987 1.00 0.00 C ATOM 660 C LYS A 47 11.598 -6.051 3.368 1.00 0.00 C ATOM 661 O LYS A 47 12.574 -6.723 3.700 1.00 0.00 O ATOM 662 CB LYS A 47 11.815 -3.908 2.097 1.00 0.00 C ATOM 663 CG LYS A 47 11.928 -3.210 0.753 1.00 0.00 C ATOM 664 CD LYS A 47 13.293 -3.432 0.122 1.00 0.00 C ATOM 665 CE LYS A 47 14.355 -2.556 0.769 1.00 0.00 C ATOM 666 NZ LYS A 47 14.019 -1.109 0.667 1.00 0.00 N ATOM 0 H LYS A 47 9.857 -4.826 0.860 1.00 0.00 H new ATOM 0 HA LYS A 47 12.279 -5.869 1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.022 -3.435 2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.743 -3.765 2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.152 -3.581 0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.755 -2.142 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.575 -4.480 0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.241 -3.215 -0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.462 -2.831 1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.317 -2.740 0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.890 -0.545 0.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.553 -0.924 -0.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.379 -0.846 1.443 1.00 0.00 H new ATOM 680 N MET A 48 10.557 -5.843 4.168 1.00 0.00 N ATOM 681 CA MET A 48 10.502 -6.407 5.512 1.00 0.00 C ATOM 682 C MET A 48 10.780 -7.906 5.484 1.00 0.00 C ATOM 683 O MET A 48 11.653 -8.398 6.199 1.00 0.00 O ATOM 684 CB MET A 48 9.134 -6.142 6.143 1.00 0.00 C ATOM 685 CG MET A 48 9.178 -6.013 7.657 1.00 0.00 C ATOM 686 SD MET A 48 9.876 -7.470 8.458 1.00 0.00 S ATOM 687 CE MET A 48 8.416 -8.493 8.633 1.00 0.00 C ATOM 0 H MET A 48 9.741 -5.289 3.909 1.00 0.00 H new ATOM 0 HA MET A 48 11.272 -5.924 6.114 1.00 0.00 H new ATOM 0 HB2 MET A 48 8.719 -5.227 5.720 1.00 0.00 H new ATOM 0 HB3 MET A 48 8.456 -6.953 5.875 1.00 0.00 H new ATOM 0 HG2 MET A 48 9.768 -5.137 7.926 1.00 0.00 H new ATOM 0 HG3 MET A 48 8.169 -5.845 8.033 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.686 -9.433 9.114 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.678 -7.972 9.243 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.995 -8.697 7.649 1.00 0.00 H new ATOM 697 N SER A 49 10.033 -8.627 4.654 1.00 0.00 N ATOM 698 CA SER A 49 10.197 -10.071 4.537 1.00 0.00 C ATOM 699 C SER A 49 10.512 -10.467 3.098 1.00 0.00 C ATOM 700 O SER A 49 9.739 -10.189 2.182 1.00 0.00 O ATOM 701 CB SER A 49 8.932 -10.790 5.010 1.00 0.00 C ATOM 702 OG SER A 49 7.787 -10.305 4.332 1.00 0.00 O ATOM 0 H SER A 49 9.308 -8.235 4.053 1.00 0.00 H new ATOM 0 HA SER A 49 11.033 -10.369 5.169 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.033 -11.862 4.839 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.810 -10.649 6.084 1.00 0.00 H new ATOM 0 HG SER A 49 8.020 -10.098 3.403 1.00 0.00 H new ATOM 708 N GLY A 50 11.655 -11.119 2.906 1.00 0.00 N ATOM 709 CA GLY A 50 12.054 -11.543 1.576 1.00 0.00 C ATOM 710 C GLY A 50 13.414 -12.212 1.564 1.00 0.00 C ATOM 711 O GLY A 50 14.098 -12.295 2.585 1.00 0.00 O ATOM 0 H GLY A 50 12.312 -11.361 3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.309 -12.233 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.072 -10.678 0.913 1.00 0.00 H new ATOM 715 N PRO A 51 13.824 -12.707 0.387 1.00 0.00 N ATOM 716 CA PRO A 51 15.114 -13.383 0.218 1.00 0.00 C ATOM 717 C PRO A 51 16.291 -12.421 0.336 1.00 0.00 C ATOM 718 O PRO A 51 17.447 -12.842 0.373 1.00 0.00 O ATOM 719 CB PRO A 51 15.031 -13.956 -1.198 1.00 0.00 C ATOM 720 CG PRO A 51 14.059 -13.077 -1.907 1.00 0.00 C ATOM 721 CD PRO A 51 13.060 -12.644 -0.870 1.00 0.00 C ATOM 0 HA PRO A 51 15.284 -14.136 0.987 1.00 0.00 H new ATOM 0 HB2 PRO A 51 16.005 -13.944 -1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.692 -14.992 -1.186 1.00 0.00 H new ATOM 0 HG2 PRO A 51 14.561 -12.216 -2.349 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.570 -13.613 -2.721 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.689 -11.638 -1.065 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.193 -13.304 -0.847 1.00 0.00 H new ATOM 729 N SER A 52 15.990 -11.128 0.395 1.00 0.00 N ATOM 730 CA SER A 52 17.024 -10.106 0.505 1.00 0.00 C ATOM 731 C SER A 52 16.834 -9.274 1.770 1.00 0.00 C ATOM 732 O SER A 52 15.733 -8.807 2.059 1.00 0.00 O ATOM 733 CB SER A 52 17.006 -9.196 -0.725 1.00 0.00 C ATOM 734 OG SER A 52 18.296 -8.677 -0.995 1.00 0.00 O ATOM 0 H SER A 52 15.038 -10.763 0.368 1.00 0.00 H new ATOM 0 HA SER A 52 17.990 -10.608 0.562 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.647 -9.755 -1.589 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.307 -8.375 -0.564 1.00 0.00 H new ATOM 0 HG SER A 52 18.258 -8.100 -1.786 1.00 0.00 H new ATOM 740 N SER A 53 17.916 -9.094 2.521 1.00 0.00 N ATOM 741 CA SER A 53 17.869 -8.323 3.757 1.00 0.00 C ATOM 742 C SER A 53 17.294 -6.932 3.507 1.00 0.00 C ATOM 743 O SER A 53 16.455 -6.449 4.266 1.00 0.00 O ATOM 744 CB SER A 53 19.268 -8.207 4.365 1.00 0.00 C ATOM 745 OG SER A 53 19.601 -9.370 5.104 1.00 0.00 O ATOM 0 H SER A 53 18.836 -9.472 2.295 1.00 0.00 H new ATOM 0 HA SER A 53 17.219 -8.846 4.458 1.00 0.00 H new ATOM 0 HB2 SER A 53 20.001 -8.054 3.573 1.00 0.00 H new ATOM 0 HB3 SER A 53 19.314 -7.333 5.015 1.00 0.00 H new ATOM 0 HG SER A 53 20.500 -9.272 5.481 1.00 0.00 H new ATOM 751 N GLY A 54 17.754 -6.291 2.437 1.00 0.00 N ATOM 752 CA GLY A 54 17.276 -4.962 2.105 1.00 0.00 C ATOM 753 C GLY A 54 18.407 -3.983 1.860 1.00 0.00 C ATOM 754 O GLY A 54 19.181 -4.142 0.916 1.00 0.00 O ATOM 0 H GLY A 54 18.450 -6.669 1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.648 -5.017 1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.649 -4.592 2.916 1.00 0.00 H new TER 758 GLY A 54