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 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= 0.0663 K(o=0.066,f=-8.1!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 12 MET CE :methyl -115:sc= -3.51 (180deg=-6.78!) USER MOD Single : A 14 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.52) USER MOD Single : A 18 ASN : amide:sc= -1.64 K(o=-1.6,f=-3.3!) USER MOD Single : A 21 CYS SG : rot 90:sc= -0.527 USER MOD Single : A 23 GLN : amide:sc= -2.89 K(o=-2.9,f=-6.6!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -155:sc= -0.0958 (180deg=-0.496) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 5:sc= 0.813 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0838 USER MOD Single : A 37 SER OG : rot 180:sc= -0.686 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 -5:sc= 0.522 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 -5.817 20.144 -0.466 1.00 0.00 N ATOM 2 CA GLY A 1 -6.883 19.515 0.291 1.00 0.00 C ATOM 3 C GLY A 1 -7.239 20.289 1.544 1.00 0.00 C ATOM 4 O GLY A 1 -7.662 21.443 1.470 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.611 19.576 -1.313 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.112 21.099 -0.753 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.963 20.208 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.767 19.424 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.582 18.504 0.565 1.00 0.00 H new ATOM 8 N SER A 2 -7.071 19.654 2.699 1.00 0.00 N ATOM 9 CA SER A 2 -7.383 20.289 3.974 1.00 0.00 C ATOM 10 C SER A 2 -6.110 20.574 4.765 1.00 0.00 C ATOM 11 O SER A 2 -5.055 20.001 4.492 1.00 0.00 O ATOM 12 CB SER A 2 -8.318 19.400 4.795 1.00 0.00 C ATOM 13 OG SER A 2 -9.520 19.137 4.092 1.00 0.00 O ATOM 0 H SER A 2 -6.720 18.699 2.778 1.00 0.00 H new ATOM 0 HA SER A 2 -7.882 21.236 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.818 18.461 5.030 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.547 19.886 5.744 1.00 0.00 H new ATOM 0 HG SER A 2 -10.100 18.565 4.638 1.00 0.00 H new ATOM 19 N SER A 3 -6.217 21.464 5.746 1.00 0.00 N ATOM 20 CA SER A 3 -5.075 21.830 6.575 1.00 0.00 C ATOM 21 C SER A 3 -4.877 20.822 7.703 1.00 0.00 C ATOM 22 O SER A 3 -5.841 20.301 8.261 1.00 0.00 O ATOM 23 CB SER A 3 -5.268 23.232 7.157 1.00 0.00 C ATOM 24 OG SER A 3 -6.197 23.216 8.226 1.00 0.00 O ATOM 0 H SER A 3 -7.084 21.945 5.986 1.00 0.00 H new ATOM 0 HA SER A 3 -4.185 21.825 5.946 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.311 23.618 7.508 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.618 23.908 6.377 1.00 0.00 H new ATOM 0 HG SER A 3 -6.302 24.123 8.582 1.00 0.00 H new ATOM 30 N GLY A 4 -3.617 20.551 8.032 1.00 0.00 N ATOM 31 CA GLY A 4 -3.314 19.606 9.091 1.00 0.00 C ATOM 32 C GLY A 4 -2.903 18.248 8.556 1.00 0.00 C ATOM 33 O GLY A 4 -2.993 17.993 7.355 1.00 0.00 O ATOM 0 H GLY A 4 -2.801 20.969 7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.513 20.006 9.712 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.188 19.491 9.732 1.00 0.00 H new ATOM 37 N SER A 5 -2.448 17.375 9.449 1.00 0.00 N ATOM 38 CA SER A 5 -2.016 16.038 9.060 1.00 0.00 C ATOM 39 C SER A 5 -2.850 14.971 9.763 1.00 0.00 C ATOM 40 O SER A 5 -2.583 14.616 10.911 1.00 0.00 O ATOM 41 CB SER A 5 -0.534 15.842 9.389 1.00 0.00 C ATOM 42 OG SER A 5 -0.034 14.655 8.799 1.00 0.00 O ATOM 0 H SER A 5 -2.369 17.570 10.447 1.00 0.00 H new ATOM 0 HA SER A 5 -2.159 15.936 7.984 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.038 16.698 9.031 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.401 15.799 10.470 1.00 0.00 H new ATOM 0 HG SER A 5 0.915 14.553 9.022 1.00 0.00 H new ATOM 48 N SER A 6 -3.861 14.464 9.065 1.00 0.00 N ATOM 49 CA SER A 6 -4.737 13.441 9.622 1.00 0.00 C ATOM 50 C SER A 6 -4.329 12.053 9.136 1.00 0.00 C ATOM 51 O SER A 6 -4.923 11.509 8.206 1.00 0.00 O ATOM 52 CB SER A 6 -6.191 13.721 9.238 1.00 0.00 C ATOM 53 OG SER A 6 -6.610 14.987 9.716 1.00 0.00 O ATOM 0 H SER A 6 -4.094 14.745 8.113 1.00 0.00 H new ATOM 0 HA SER A 6 -4.643 13.469 10.708 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.297 13.685 8.154 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.835 12.943 9.648 1.00 0.00 H new ATOM 0 HG SER A 6 -7.542 15.143 9.456 1.00 0.00 H new ATOM 59 N GLY A 7 -3.310 11.486 9.773 1.00 0.00 N ATOM 60 CA GLY A 7 -2.838 10.167 9.393 1.00 0.00 C ATOM 61 C GLY A 7 -2.513 10.071 7.915 1.00 0.00 C ATOM 62 O GLY A 7 -2.527 11.075 7.203 1.00 0.00 O ATOM 0 H GLY A 7 -2.802 11.916 10.546 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.949 9.921 9.974 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.598 9.426 9.644 1.00 0.00 H new ATOM 66 N VAL A 8 -2.218 8.860 7.453 1.00 0.00 N ATOM 67 CA VAL A 8 -1.887 8.637 6.051 1.00 0.00 C ATOM 68 C VAL A 8 -2.973 9.190 5.135 1.00 0.00 C ATOM 69 O VAL A 8 -3.953 9.772 5.599 1.00 0.00 O ATOM 70 CB VAL A 8 -1.693 7.138 5.752 1.00 0.00 C ATOM 71 CG1 VAL A 8 -0.290 6.695 6.135 1.00 0.00 C ATOM 72 CG2 VAL A 8 -2.741 6.310 6.480 1.00 0.00 C ATOM 0 H VAL A 8 -2.202 8.019 8.029 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.952 9.163 5.859 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.818 6.979 4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.171 5.634 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.441 7.267 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.132 6.866 7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.589 5.254 6.258 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.650 6.471 7.554 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.736 6.611 6.151 1.00 0.00 H new ATOM 82 N ASN A 9 -2.792 9.004 3.832 1.00 0.00 N ATOM 83 CA ASN A 9 -3.757 9.485 2.849 1.00 0.00 C ATOM 84 C ASN A 9 -4.890 8.481 2.664 1.00 0.00 C ATOM 85 O ASN A 9 -4.724 7.288 2.917 1.00 0.00 O ATOM 86 CB ASN A 9 -3.065 9.744 1.509 1.00 0.00 C ATOM 87 CG ASN A 9 -3.776 10.802 0.687 1.00 0.00 C ATOM 88 OD1 ASN A 9 -4.990 10.978 0.797 1.00 0.00 O ATOM 89 ND2 ASN A 9 -3.021 11.513 -0.142 1.00 0.00 N ATOM 0 H ASN A 9 -1.986 8.524 3.432 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.180 10.419 3.218 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.037 10.057 1.689 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -3.020 8.815 0.940 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.443 12.239 -0.720 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.019 11.333 -0.200 1.00 0.00 H new ATOM 96 N ARG A 10 -6.042 8.973 2.220 1.00 0.00 N ATOM 97 CA ARG A 10 -7.204 8.120 2.001 1.00 0.00 C ATOM 98 C ARG A 10 -7.256 7.634 0.556 1.00 0.00 C ATOM 99 O ARG A 10 -7.421 6.442 0.298 1.00 0.00 O ATOM 100 CB ARG A 10 -8.490 8.874 2.344 1.00 0.00 C ATOM 101 CG ARG A 10 -9.623 7.970 2.802 1.00 0.00 C ATOM 102 CD ARG A 10 -10.934 8.732 2.910 1.00 0.00 C ATOM 103 NE ARG A 10 -11.644 8.783 1.634 1.00 0.00 N ATOM 104 CZ ARG A 10 -12.905 9.183 1.510 1.00 0.00 C ATOM 105 NH1 ARG A 10 -13.590 9.565 2.578 1.00 0.00 N ATOM 106 NH2 ARG A 10 -13.482 9.201 0.315 1.00 0.00 N ATOM 0 H ARG A 10 -6.196 9.958 2.005 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.115 7.253 2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.277 9.601 3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.816 9.436 1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.738 7.144 2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.374 7.534 3.769 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.568 8.258 3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.736 9.747 3.256 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.144 8.496 0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.149 9.552 3.498 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.558 9.872 2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.957 8.908 -0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.450 9.508 0.221 1.00 0.00 H new ATOM 120 N GLN A 11 -7.116 8.565 -0.382 1.00 0.00 N ATOM 121 CA GLN A 11 -7.149 8.231 -1.801 1.00 0.00 C ATOM 122 C GLN A 11 -6.086 7.191 -2.140 1.00 0.00 C ATOM 123 O GLN A 11 -6.404 6.074 -2.547 1.00 0.00 O ATOM 124 CB GLN A 11 -6.939 9.488 -2.647 1.00 0.00 C ATOM 125 CG GLN A 11 -7.235 9.283 -4.124 1.00 0.00 C ATOM 126 CD GLN A 11 -6.796 10.458 -4.976 1.00 0.00 C ATOM 127 OE1 GLN A 11 -6.689 11.585 -4.492 1.00 0.00 O ATOM 128 NE2 GLN A 11 -6.537 10.200 -6.253 1.00 0.00 N ATOM 0 H GLN A 11 -6.979 9.556 -0.185 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.128 7.809 -2.027 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.577 10.284 -2.264 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.908 9.824 -2.535 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.731 8.380 -4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.305 9.122 -4.257 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.639 9.251 -6.612 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.236 10.951 -6.874 1.00 0.00 H new ATOM 137 N MET A 12 -4.823 7.567 -1.971 1.00 0.00 N ATOM 138 CA MET A 12 -3.713 6.666 -2.259 1.00 0.00 C ATOM 139 C MET A 12 -4.070 5.229 -1.891 1.00 0.00 C ATOM 140 O MET A 12 -3.808 4.299 -2.655 1.00 0.00 O ATOM 141 CB MET A 12 -2.461 7.104 -1.495 1.00 0.00 C ATOM 142 CG MET A 12 -1.906 8.442 -1.956 1.00 0.00 C ATOM 143 SD MET A 12 -0.720 9.140 -0.791 1.00 0.00 S ATOM 144 CE MET A 12 0.819 8.850 -1.660 1.00 0.00 C ATOM 0 H MET A 12 -4.542 8.489 -1.636 1.00 0.00 H new ATOM 0 HA MET A 12 -3.511 6.709 -3.329 1.00 0.00 H new ATOM 0 HB2 MET A 12 -2.696 7.164 -0.432 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.690 6.341 -1.609 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.426 8.317 -2.926 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.728 9.144 -2.096 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.430 8.147 -1.094 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.608 8.436 -2.646 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.358 9.791 -1.770 1.00 0.00 H new ATOM 154 N LEU A 13 -4.667 5.054 -0.718 1.00 0.00 N ATOM 155 CA LEU A 13 -5.060 3.730 -0.249 1.00 0.00 C ATOM 156 C LEU A 13 -5.874 2.996 -1.310 1.00 0.00 C ATOM 157 O LEU A 13 -5.553 1.867 -1.680 1.00 0.00 O ATOM 158 CB LEU A 13 -5.870 3.844 1.043 1.00 0.00 C ATOM 159 CG LEU A 13 -6.282 2.525 1.697 1.00 0.00 C ATOM 160 CD1 LEU A 13 -7.557 1.990 1.062 1.00 0.00 C ATOM 161 CD2 LEU A 13 -5.160 1.502 1.587 1.00 0.00 C ATOM 0 H LEU A 13 -4.890 5.813 -0.074 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.153 3.158 -0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.287 4.417 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.772 4.419 0.833 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.476 2.710 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.835 1.051 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.360 2.715 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.390 1.820 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.471 0.569 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.935 1.321 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.270 1.883 2.088 1.00 0.00 H new ATOM 173 N GLN A 14 -6.926 3.646 -1.795 1.00 0.00 N ATOM 174 CA GLN A 14 -7.785 3.055 -2.815 1.00 0.00 C ATOM 175 C GLN A 14 -6.960 2.541 -3.990 1.00 0.00 C ATOM 176 O GLN A 14 -7.354 1.594 -4.669 1.00 0.00 O ATOM 177 CB GLN A 14 -8.810 4.079 -3.305 1.00 0.00 C ATOM 178 CG GLN A 14 -10.101 4.081 -2.503 1.00 0.00 C ATOM 179 CD GLN A 14 -10.662 2.687 -2.297 1.00 0.00 C ATOM 180 OE1 GLN A 14 -10.990 1.990 -3.258 1.00 0.00 O ATOM 181 NE2 GLN A 14 -10.775 2.274 -1.041 1.00 0.00 N ATOM 0 H GLN A 14 -7.205 4.581 -1.499 1.00 0.00 H new ATOM 0 HA GLN A 14 -8.311 2.212 -2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.365 5.073 -3.264 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.042 3.876 -4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.921 4.543 -1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.842 4.695 -3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.491 2.885 -0.276 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.146 1.345 -0.841 1.00 0.00 H new ATOM 190 N GLU A 15 -5.813 3.172 -4.223 1.00 0.00 N ATOM 191 CA GLU A 15 -4.934 2.778 -5.317 1.00 0.00 C ATOM 192 C GLU A 15 -4.089 1.568 -4.927 1.00 0.00 C ATOM 193 O GLU A 15 -4.211 0.495 -5.519 1.00 0.00 O ATOM 194 CB GLU A 15 -4.024 3.942 -5.715 1.00 0.00 C ATOM 195 CG GLU A 15 -4.615 4.835 -6.793 1.00 0.00 C ATOM 196 CD GLU A 15 -5.953 5.427 -6.393 1.00 0.00 C ATOM 197 OE1 GLU A 15 -5.963 6.373 -5.578 1.00 0.00 O ATOM 198 OE2 GLU A 15 -6.989 4.943 -6.895 1.00 0.00 O ATOM 0 H GLU A 15 -5.472 3.957 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.557 2.506 -6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.812 4.545 -4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.072 3.544 -6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.917 5.642 -7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.737 4.259 -7.710 1.00 0.00 H new ATOM 205 N LEU A 16 -3.232 1.750 -3.929 1.00 0.00 N ATOM 206 CA LEU A 16 -2.365 0.675 -3.459 1.00 0.00 C ATOM 207 C LEU A 16 -3.174 -0.580 -3.148 1.00 0.00 C ATOM 208 O LEU A 16 -2.696 -1.700 -3.326 1.00 0.00 O ATOM 209 CB LEU A 16 -1.594 1.121 -2.215 1.00 0.00 C ATOM 210 CG LEU A 16 -2.271 0.845 -0.872 1.00 0.00 C ATOM 211 CD1 LEU A 16 -2.161 -0.628 -0.511 1.00 0.00 C ATOM 212 CD2 LEU A 16 -1.661 1.712 0.220 1.00 0.00 C ATOM 0 H LEU A 16 -3.119 2.632 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.656 0.440 -4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.622 0.627 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.408 2.192 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.328 1.097 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.648 -0.805 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.646 -1.228 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.110 -0.908 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.155 1.503 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.597 1.491 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.794 2.764 -0.034 1.00 0.00 H new ATOM 224 N VAL A 17 -4.404 -0.385 -2.683 1.00 0.00 N ATOM 225 CA VAL A 17 -5.282 -1.500 -2.350 1.00 0.00 C ATOM 226 C VAL A 17 -5.871 -2.130 -3.607 1.00 0.00 C ATOM 227 O VAL A 17 -6.142 -3.330 -3.644 1.00 0.00 O ATOM 228 CB VAL A 17 -6.430 -1.054 -1.425 1.00 0.00 C ATOM 229 CG1 VAL A 17 -7.568 -0.456 -2.237 1.00 0.00 C ATOM 230 CG2 VAL A 17 -6.921 -2.223 -0.584 1.00 0.00 C ATOM 0 H VAL A 17 -4.815 0.536 -2.528 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.672 -2.238 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.053 -0.285 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.370 -0.147 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.204 0.409 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.947 -1.201 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.732 -1.890 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.282 -3.016 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.101 -2.602 0.027 1.00 0.00 H new ATOM 240 N ASN A 18 -6.068 -1.312 -4.635 1.00 0.00 N ATOM 241 CA ASN A 18 -6.627 -1.789 -5.895 1.00 0.00 C ATOM 242 C ASN A 18 -5.624 -2.669 -6.636 1.00 0.00 C ATOM 243 O ASN A 18 -6.000 -3.645 -7.284 1.00 0.00 O ATOM 244 CB ASN A 18 -7.033 -0.607 -6.777 1.00 0.00 C ATOM 245 CG ASN A 18 -8.467 -0.174 -6.539 1.00 0.00 C ATOM 246 OD1 ASN A 18 -9.289 -0.951 -6.052 1.00 0.00 O ATOM 247 ND2 ASN A 18 -8.774 1.072 -6.881 1.00 0.00 N ATOM 0 H ASN A 18 -5.849 -0.316 -4.621 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.511 -2.386 -5.669 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.366 0.233 -6.584 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.908 -0.879 -7.825 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.723 1.420 -6.743 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.061 1.681 -7.281 1.00 0.00 H new ATOM 254 N ALA A 19 -4.347 -2.315 -6.535 1.00 0.00 N ATOM 255 CA ALA A 19 -3.290 -3.074 -7.192 1.00 0.00 C ATOM 256 C ALA A 19 -3.307 -4.534 -6.753 1.00 0.00 C ATOM 257 O ALA A 19 -3.082 -5.437 -7.557 1.00 0.00 O ATOM 258 CB ALA A 19 -1.933 -2.449 -6.902 1.00 0.00 C ATOM 0 H ALA A 19 -4.020 -1.508 -6.005 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.470 -3.044 -8.267 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.153 -3.026 -7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.918 -1.424 -7.273 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.755 -2.449 -5.827 1.00 0.00 H new ATOM 264 N GLY A 20 -3.575 -4.758 -5.470 1.00 0.00 N ATOM 265 CA GLY A 20 -3.615 -6.111 -4.946 1.00 0.00 C ATOM 266 C GLY A 20 -2.975 -6.221 -3.576 1.00 0.00 C ATOM 267 O GLY A 20 -2.345 -7.231 -3.258 1.00 0.00 O ATOM 0 H GLY A 20 -3.765 -4.027 -4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.651 -6.444 -4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.103 -6.780 -5.638 1.00 0.00 H new ATOM 271 N CYS A 21 -3.135 -5.182 -2.765 1.00 0.00 N ATOM 272 CA CYS A 21 -2.565 -5.166 -1.422 1.00 0.00 C ATOM 273 C CYS A 21 -3.662 -5.058 -0.368 1.00 0.00 C ATOM 274 O CYS A 21 -4.526 -4.184 -0.443 1.00 0.00 O ATOM 275 CB CYS A 21 -1.585 -4.001 -1.276 1.00 0.00 C ATOM 276 SG CYS A 21 0.120 -4.412 -1.716 1.00 0.00 S ATOM 0 H CYS A 21 -3.654 -4.340 -3.013 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.030 -6.103 -1.269 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.922 -3.176 -1.903 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.608 -3.648 -0.245 1.00 0.00 H new ATOM 0 HG CYS A 21 0.309 -4.183 -2.982 1.00 0.00 H new ATOM 282 N ASP A 22 -3.622 -5.953 0.613 1.00 0.00 N ATOM 283 CA ASP A 22 -4.613 -5.960 1.683 1.00 0.00 C ATOM 284 C ASP A 22 -4.897 -4.543 2.169 1.00 0.00 C ATOM 285 O ASP A 22 -4.141 -3.615 1.882 1.00 0.00 O ATOM 286 CB ASP A 22 -4.131 -6.826 2.848 1.00 0.00 C ATOM 287 CG ASP A 22 -4.435 -8.296 2.642 1.00 0.00 C ATOM 288 OD1 ASP A 22 -5.608 -8.690 2.818 1.00 0.00 O ATOM 289 OD2 ASP A 22 -3.502 -9.054 2.304 1.00 0.00 O ATOM 0 H ASP A 22 -2.914 -6.683 0.689 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.537 -6.381 1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.056 -6.695 2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.604 -6.486 3.769 1.00 0.00 H new ATOM 294 N GLN A 23 -5.992 -4.384 2.906 1.00 0.00 N ATOM 295 CA GLN A 23 -6.376 -3.079 3.430 1.00 0.00 C ATOM 296 C GLN A 23 -5.693 -2.806 4.766 1.00 0.00 C ATOM 297 O GLN A 23 -5.186 -1.710 5.002 1.00 0.00 O ATOM 298 CB GLN A 23 -7.895 -2.999 3.595 1.00 0.00 C ATOM 299 CG GLN A 23 -8.446 -1.587 3.480 1.00 0.00 C ATOM 300 CD GLN A 23 -7.670 -0.588 4.317 1.00 0.00 C ATOM 301 OE1 GLN A 23 -6.678 -0.018 3.862 1.00 0.00 O ATOM 302 NE2 GLN A 23 -8.120 -0.370 5.547 1.00 0.00 N ATOM 0 H GLN A 23 -6.628 -5.142 3.153 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.054 -2.320 2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.368 -3.627 2.840 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.169 -3.409 4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.423 -1.276 2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.491 -1.582 3.791 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.946 -0.865 5.883 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.639 0.292 6.156 1.00 0.00 H new ATOM 311 N GLU A 24 -5.685 -3.810 5.637 1.00 0.00 N ATOM 312 CA GLU A 24 -5.065 -3.677 6.950 1.00 0.00 C ATOM 313 C GLU A 24 -3.569 -3.407 6.820 1.00 0.00 C ATOM 314 O GLU A 24 -3.070 -2.381 7.282 1.00 0.00 O ATOM 315 CB GLU A 24 -5.296 -4.942 7.779 1.00 0.00 C ATOM 316 CG GLU A 24 -6.660 -5.574 7.557 1.00 0.00 C ATOM 317 CD GLU A 24 -7.169 -6.307 8.784 1.00 0.00 C ATOM 318 OE1 GLU A 24 -7.142 -5.713 9.882 1.00 0.00 O ATOM 319 OE2 GLU A 24 -7.594 -7.473 8.645 1.00 0.00 O ATOM 0 H GLU A 24 -6.101 -4.724 5.457 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.527 -2.830 7.457 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.523 -5.671 7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.185 -4.699 8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.374 -4.799 7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.602 -6.270 6.720 1.00 0.00 H new ATOM 326 N MET A 25 -2.858 -4.335 6.188 1.00 0.00 N ATOM 327 CA MET A 25 -1.419 -4.197 5.997 1.00 0.00 C ATOM 328 C MET A 25 -1.092 -2.914 5.240 1.00 0.00 C ATOM 329 O MET A 25 -0.026 -2.328 5.425 1.00 0.00 O ATOM 330 CB MET A 25 -0.866 -5.406 5.239 1.00 0.00 C ATOM 331 CG MET A 25 0.617 -5.297 4.921 1.00 0.00 C ATOM 332 SD MET A 25 1.652 -5.400 6.394 1.00 0.00 S ATOM 333 CE MET A 25 3.030 -4.362 5.912 1.00 0.00 C ATOM 0 H MET A 25 -3.255 -5.191 5.799 1.00 0.00 H new ATOM 0 HA MET A 25 -0.950 -4.147 6.980 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.037 -6.305 5.831 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.421 -5.526 4.309 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.896 -6.092 4.229 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.807 -4.351 4.413 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.759 -4.325 6.722 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.500 -4.773 5.019 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.671 -3.355 5.701 1.00 0.00 H new ATOM 343 N ALA A 26 -2.015 -2.485 4.386 1.00 0.00 N ATOM 344 CA ALA A 26 -1.825 -1.270 3.602 1.00 0.00 C ATOM 345 C ALA A 26 -1.522 -0.078 4.503 1.00 0.00 C ATOM 346 O ALA A 26 -0.393 0.409 4.545 1.00 0.00 O ATOM 347 CB ALA A 26 -3.056 -0.993 2.752 1.00 0.00 C ATOM 0 H ALA A 26 -2.902 -2.960 4.219 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.969 -1.421 2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.900 -0.083 2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.227 -1.830 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.924 -0.867 3.399 1.00 0.00 H new ATOM 353 N GLY A 27 -2.539 0.389 5.221 1.00 0.00 N ATOM 354 CA GLY A 27 -2.360 1.522 6.110 1.00 0.00 C ATOM 355 C GLY A 27 -1.042 1.470 6.858 1.00 0.00 C ATOM 356 O GLY A 27 -0.280 2.437 6.854 1.00 0.00 O ATOM 0 H GLY A 27 -3.483 0.003 5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.410 2.445 5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.180 1.550 6.827 1.00 0.00 H new ATOM 360 N ARG A 28 -0.773 0.340 7.502 1.00 0.00 N ATOM 361 CA ARG A 28 0.461 0.167 8.259 1.00 0.00 C ATOM 362 C ARG A 28 1.645 0.781 7.518 1.00 0.00 C ATOM 363 O ARG A 28 2.295 1.698 8.018 1.00 0.00 O ATOM 364 CB ARG A 28 0.722 -1.318 8.518 1.00 0.00 C ATOM 365 CG ARG A 28 0.031 -1.850 9.763 1.00 0.00 C ATOM 366 CD ARG A 28 0.628 -3.176 10.208 1.00 0.00 C ATOM 367 NE ARG A 28 0.052 -4.306 9.485 1.00 0.00 N ATOM 368 CZ ARG A 28 -1.148 -4.811 9.747 1.00 0.00 C ATOM 369 NH1 ARG A 28 -1.896 -4.288 10.709 1.00 0.00 N ATOM 370 NH2 ARG A 28 -1.603 -5.841 9.045 1.00 0.00 N ATOM 0 H ARG A 28 -1.393 -0.470 7.515 1.00 0.00 H new ATOM 0 HA ARG A 28 0.346 0.681 9.214 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.389 -1.893 7.654 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.796 -1.478 8.612 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.119 -1.121 10.569 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.033 -1.977 9.564 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.707 -3.158 10.052 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.462 -3.307 11.277 1.00 0.00 H new ATOM 0 HE ARG A 28 0.601 -4.731 8.738 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.550 -3.496 11.250 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.817 -4.678 10.908 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.031 -6.245 8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.525 -6.228 9.247 1.00 0.00 H new ATOM 384 N ALA A 29 1.918 0.268 6.323 1.00 0.00 N ATOM 385 CA ALA A 29 3.022 0.766 5.512 1.00 0.00 C ATOM 386 C ALA A 29 2.851 2.250 5.203 1.00 0.00 C ATOM 387 O ALA A 29 3.715 3.065 5.527 1.00 0.00 O ATOM 388 CB ALA A 29 3.133 -0.034 4.222 1.00 0.00 C ATOM 0 H ALA A 29 1.390 -0.492 5.895 1.00 0.00 H new ATOM 0 HA ALA A 29 3.943 0.644 6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.962 0.349 3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.311 -1.083 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.206 0.058 3.656 1.00 0.00 H new ATOM 394 N LEU A 30 1.732 2.593 4.576 1.00 0.00 N ATOM 395 CA LEU A 30 1.447 3.980 4.223 1.00 0.00 C ATOM 396 C LEU A 30 1.902 4.927 5.329 1.00 0.00 C ATOM 397 O LEU A 30 2.433 6.005 5.059 1.00 0.00 O ATOM 398 CB LEU A 30 -0.049 4.164 3.961 1.00 0.00 C ATOM 399 CG LEU A 30 -0.556 3.682 2.602 1.00 0.00 C ATOM 400 CD1 LEU A 30 -2.058 3.896 2.486 1.00 0.00 C ATOM 401 CD2 LEU A 30 0.175 4.398 1.475 1.00 0.00 C ATOM 0 H LEU A 30 1.007 1.930 4.301 1.00 0.00 H new ATOM 0 HA LEU A 30 2.000 4.219 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.601 3.638 4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.287 5.223 4.061 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.354 2.614 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.401 3.547 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.567 3.337 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.284 4.957 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.199 4.042 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.005 5.472 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.243 4.194 1.547 1.00 0.00 H new ATOM 413 N LYS A 31 1.691 4.518 6.575 1.00 0.00 N ATOM 414 CA LYS A 31 2.082 5.327 7.723 1.00 0.00 C ATOM 415 C LYS A 31 3.577 5.198 7.996 1.00 0.00 C ATOM 416 O LYS A 31 4.319 6.176 7.910 1.00 0.00 O ATOM 417 CB LYS A 31 1.288 4.908 8.962 1.00 0.00 C ATOM 418 CG LYS A 31 1.055 6.041 9.947 1.00 0.00 C ATOM 419 CD LYS A 31 -0.236 6.784 9.647 1.00 0.00 C ATOM 420 CE LYS A 31 -0.797 7.452 10.893 1.00 0.00 C ATOM 421 NZ LYS A 31 -1.247 6.454 11.902 1.00 0.00 N ATOM 0 H LYS A 31 1.251 3.630 6.816 1.00 0.00 H new ATOM 0 HA LYS A 31 1.862 6.369 7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.324 4.507 8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.819 4.101 9.468 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.019 5.642 10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.894 6.736 9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.054 7.537 8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.972 6.089 9.243 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.036 8.096 11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.635 8.092 10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.975 6.880 12.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.643 5.624 11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.437 6.160 12.485 1.00 0.00 H new ATOM 435 N GLN A 32 4.012 3.986 8.324 1.00 0.00 N ATOM 436 CA GLN A 32 5.419 3.730 8.609 1.00 0.00 C ATOM 437 C GLN A 32 6.311 4.336 7.531 1.00 0.00 C ATOM 438 O GLN A 32 7.137 5.206 7.809 1.00 0.00 O ATOM 439 CB GLN A 32 5.674 2.226 8.714 1.00 0.00 C ATOM 440 CG GLN A 32 4.843 1.540 9.787 1.00 0.00 C ATOM 441 CD GLN A 32 5.396 1.759 11.181 1.00 0.00 C ATOM 442 OE1 GLN A 32 4.829 2.511 11.975 1.00 0.00 O ATOM 443 NE2 GLN A 32 6.508 1.101 11.488 1.00 0.00 N ATOM 0 H GLN A 32 3.410 3.166 8.399 1.00 0.00 H new ATOM 0 HA GLN A 32 5.663 4.199 9.562 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.462 1.762 7.751 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.731 2.059 8.923 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.820 1.913 9.743 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.801 0.471 9.581 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.945 0.488 10.799 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.925 1.208 12.412 1.00 0.00 H new ATOM 452 N THR A 33 6.141 3.869 6.298 1.00 0.00 N ATOM 453 CA THR A 33 6.931 4.363 5.177 1.00 0.00 C ATOM 454 C THR A 33 6.522 5.782 4.799 1.00 0.00 C ATOM 455 O THR A 33 7.337 6.566 4.315 1.00 0.00 O ATOM 456 CB THR A 33 6.787 3.453 3.943 1.00 0.00 C ATOM 457 OG1 THR A 33 5.405 3.165 3.706 1.00 0.00 O ATOM 458 CG2 THR A 33 7.555 2.154 4.136 1.00 0.00 C ATOM 0 H THR A 33 5.463 3.149 6.050 1.00 0.00 H new ATOM 0 HA THR A 33 7.972 4.362 5.500 1.00 0.00 H new ATOM 0 HB THR A 33 7.202 3.977 3.082 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.852 3.678 4.332 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.438 1.528 3.252 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.612 2.375 4.287 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.166 1.627 5.007 1.00 0.00 H new ATOM 466 N GLY A 34 5.252 6.107 5.023 1.00 0.00 N ATOM 467 CA GLY A 34 4.757 7.432 4.700 1.00 0.00 C ATOM 468 C GLY A 34 3.848 7.431 3.487 1.00 0.00 C ATOM 469 O GLY A 34 3.883 6.505 2.677 1.00 0.00 O ATOM 0 H GLY A 34 4.557 5.476 5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.215 7.833 5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.601 8.097 4.517 1.00 0.00 H new ATOM 473 N SER A 35 3.030 8.471 3.362 1.00 0.00 N ATOM 474 CA SER A 35 2.103 8.585 2.242 1.00 0.00 C ATOM 475 C SER A 35 2.836 9.000 0.970 1.00 0.00 C ATOM 476 O SER A 35 2.449 9.959 0.302 1.00 0.00 O ATOM 477 CB SER A 35 1.002 9.597 2.563 1.00 0.00 C ATOM 478 OG SER A 35 0.520 9.424 3.884 1.00 0.00 O ATOM 0 H SER A 35 2.990 9.247 4.023 1.00 0.00 H new ATOM 0 HA SER A 35 1.650 7.607 2.077 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.388 10.609 2.443 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.181 9.483 1.855 1.00 0.00 H new ATOM 0 HG SER A 35 -0.182 10.084 4.065 1.00 0.00 H new ATOM 484 N ARG A 36 3.898 8.271 0.642 1.00 0.00 N ATOM 485 CA ARG A 36 4.687 8.564 -0.549 1.00 0.00 C ATOM 486 C ARG A 36 4.154 7.799 -1.756 1.00 0.00 C ATOM 487 O ARG A 36 3.197 7.033 -1.645 1.00 0.00 O ATOM 488 CB ARG A 36 6.156 8.206 -0.313 1.00 0.00 C ATOM 489 CG ARG A 36 6.881 9.181 0.600 1.00 0.00 C ATOM 490 CD ARG A 36 8.178 8.588 1.130 1.00 0.00 C ATOM 491 NE ARG A 36 9.160 9.619 1.452 1.00 0.00 N ATOM 492 CZ ARG A 36 9.897 10.243 0.540 1.00 0.00 C ATOM 493 NH1 ARG A 36 9.762 9.941 -0.744 1.00 0.00 N ATOM 494 NH2 ARG A 36 10.770 11.171 0.911 1.00 0.00 N ATOM 0 H ARG A 36 4.232 7.474 1.184 1.00 0.00 H new ATOM 0 HA ARG A 36 4.608 9.632 -0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.213 7.207 0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.671 8.169 -1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.096 10.100 0.055 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.234 9.449 1.435 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.968 7.996 2.021 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.596 7.909 0.387 1.00 0.00 H new ATOM 0 HE ARG A 36 9.287 9.874 2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.091 9.229 -1.033 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.329 10.421 -1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.876 11.406 1.898 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.335 11.649 0.209 1.00 0.00 H new ATOM 508 N SER A 37 4.779 8.014 -2.910 1.00 0.00 N ATOM 509 CA SER A 37 4.364 7.348 -4.139 1.00 0.00 C ATOM 510 C SER A 37 3.878 5.931 -3.852 1.00 0.00 C ATOM 511 O SER A 37 4.591 5.129 -3.249 1.00 0.00 O ATOM 512 CB SER A 37 5.522 7.310 -5.139 1.00 0.00 C ATOM 513 OG SER A 37 5.319 6.303 -6.115 1.00 0.00 O ATOM 0 H SER A 37 5.574 8.644 -3.019 1.00 0.00 H new ATOM 0 HA SER A 37 3.539 7.915 -4.570 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.617 8.280 -5.627 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.457 7.126 -4.611 1.00 0.00 H new ATOM 0 HG SER A 37 6.071 6.300 -6.743 1.00 0.00 H new ATOM 519 N ILE A 38 2.659 5.631 -4.289 1.00 0.00 N ATOM 520 CA ILE A 38 2.077 4.311 -4.080 1.00 0.00 C ATOM 521 C ILE A 38 3.124 3.215 -4.252 1.00 0.00 C ATOM 522 O ILE A 38 3.018 2.144 -3.657 1.00 0.00 O ATOM 523 CB ILE A 38 0.912 4.049 -5.053 1.00 0.00 C ATOM 524 CG1 ILE A 38 -0.187 5.095 -4.859 1.00 0.00 C ATOM 525 CG2 ILE A 38 0.359 2.646 -4.851 1.00 0.00 C ATOM 526 CD1 ILE A 38 -0.992 5.365 -6.111 1.00 0.00 C ATOM 0 H ILE A 38 2.056 6.284 -4.790 1.00 0.00 H new ATOM 0 HA ILE A 38 1.698 4.291 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 38 1.285 4.127 -6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.860 4.761 -4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.265 6.027 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.464 2.476 -5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.146 1.915 -5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.002 2.541 -3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.753 6.116 -5.899 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.331 5.729 -6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.473 4.444 -6.440 1.00 0.00 H new ATOM 538 N GLU A 39 4.135 3.493 -5.069 1.00 0.00 N ATOM 539 CA GLU A 39 5.202 2.531 -5.318 1.00 0.00 C ATOM 540 C GLU A 39 5.924 2.171 -4.023 1.00 0.00 C ATOM 541 O GLU A 39 6.151 0.997 -3.732 1.00 0.00 O ATOM 542 CB GLU A 39 6.201 3.094 -6.332 1.00 0.00 C ATOM 543 CG GLU A 39 5.556 3.563 -7.625 1.00 0.00 C ATOM 544 CD GLU A 39 6.571 3.827 -8.721 1.00 0.00 C ATOM 545 OE1 GLU A 39 7.518 4.605 -8.476 1.00 0.00 O ATOM 546 OE2 GLU A 39 6.420 3.257 -9.821 1.00 0.00 O ATOM 0 H GLU A 39 4.237 4.376 -5.569 1.00 0.00 H new ATOM 0 HA GLU A 39 4.752 1.626 -5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.735 3.929 -5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.942 2.329 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.846 2.810 -7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.988 4.473 -7.434 1.00 0.00 H new ATOM 553 N ALA A 40 6.282 3.191 -3.249 1.00 0.00 N ATOM 554 CA ALA A 40 6.976 2.983 -1.984 1.00 0.00 C ATOM 555 C ALA A 40 6.318 1.872 -1.173 1.00 0.00 C ATOM 556 O ALA A 40 6.931 0.839 -0.907 1.00 0.00 O ATOM 557 CB ALA A 40 7.010 4.276 -1.183 1.00 0.00 C ATOM 0 H ALA A 40 6.103 4.169 -3.476 1.00 0.00 H new ATOM 0 HA ALA A 40 7.999 2.678 -2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.531 4.107 -0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.532 5.044 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.991 4.605 -0.980 1.00 0.00 H new ATOM 563 N ALA A 41 5.067 2.093 -0.782 1.00 0.00 N ATOM 564 CA ALA A 41 4.326 1.109 -0.002 1.00 0.00 C ATOM 565 C ALA A 41 4.451 -0.283 -0.612 1.00 0.00 C ATOM 566 O ALA A 41 4.720 -1.258 0.091 1.00 0.00 O ATOM 567 CB ALA A 41 2.863 1.512 0.102 1.00 0.00 C ATOM 0 H ALA A 41 4.546 2.944 -0.992 1.00 0.00 H new ATOM 0 HA ALA A 41 4.755 1.078 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.321 0.769 0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.787 2.484 0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.431 1.573 -0.897 1.00 0.00 H new ATOM 573 N LEU A 42 4.255 -0.369 -1.923 1.00 0.00 N ATOM 574 CA LEU A 42 4.346 -1.643 -2.628 1.00 0.00 C ATOM 575 C LEU A 42 5.697 -2.306 -2.384 1.00 0.00 C ATOM 576 O LEU A 42 5.773 -3.509 -2.140 1.00 0.00 O ATOM 577 CB LEU A 42 4.131 -1.434 -4.128 1.00 0.00 C ATOM 578 CG LEU A 42 2.741 -0.952 -4.547 1.00 0.00 C ATOM 579 CD1 LEU A 42 2.767 -0.422 -5.972 1.00 0.00 C ATOM 580 CD2 LEU A 42 1.724 -2.075 -4.412 1.00 0.00 C ATOM 0 H LEU A 42 4.032 0.428 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 42 3.566 -2.300 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.866 -0.712 -4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.336 -2.375 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 42 2.444 -0.139 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.770 -0.084 -6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.465 0.413 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.085 -1.215 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.741 -1.714 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.016 -2.909 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.685 -2.408 -3.375 1.00 0.00 H new ATOM 592 N GLU A 43 6.761 -1.511 -2.449 1.00 0.00 N ATOM 593 CA GLU A 43 8.110 -2.022 -2.234 1.00 0.00 C ATOM 594 C GLU A 43 8.282 -2.512 -0.799 1.00 0.00 C ATOM 595 O GLU A 43 8.764 -3.621 -0.564 1.00 0.00 O ATOM 596 CB GLU A 43 9.145 -0.938 -2.542 1.00 0.00 C ATOM 597 CG GLU A 43 9.559 -0.889 -4.003 1.00 0.00 C ATOM 598 CD GLU A 43 10.946 -0.307 -4.197 1.00 0.00 C ATOM 599 OE1 GLU A 43 11.418 0.417 -3.296 1.00 0.00 O ATOM 600 OE2 GLU A 43 11.559 -0.577 -5.251 1.00 0.00 O ATOM 0 H GLU A 43 6.715 -0.512 -2.649 1.00 0.00 H new ATOM 0 HA GLU A 43 8.265 -2.864 -2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.739 0.032 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.030 -1.107 -1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.530 -1.896 -4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.837 -0.293 -4.561 1.00 0.00 H new ATOM 607 N TYR A 44 7.887 -1.679 0.157 1.00 0.00 N ATOM 608 CA TYR A 44 8.000 -2.026 1.568 1.00 0.00 C ATOM 609 C TYR A 44 7.217 -3.297 1.882 1.00 0.00 C ATOM 610 O TYR A 44 7.759 -4.251 2.441 1.00 0.00 O ATOM 611 CB TYR A 44 7.495 -0.875 2.440 1.00 0.00 C ATOM 612 CG TYR A 44 7.741 -1.081 3.918 1.00 0.00 C ATOM 613 CD1 TYR A 44 8.999 -0.875 4.469 1.00 0.00 C ATOM 614 CD2 TYR A 44 6.713 -1.482 4.763 1.00 0.00 C ATOM 615 CE1 TYR A 44 9.227 -1.064 5.818 1.00 0.00 C ATOM 616 CE2 TYR A 44 6.932 -1.671 6.114 1.00 0.00 C ATOM 617 CZ TYR A 44 8.191 -1.462 6.636 1.00 0.00 C ATOM 618 OH TYR A 44 8.414 -1.649 7.981 1.00 0.00 O ATOM 0 H TYR A 44 7.485 -0.758 -0.020 1.00 0.00 H new ATOM 0 HA TYR A 44 9.052 -2.206 1.788 1.00 0.00 H new ATOM 0 HB2 TYR A 44 7.981 0.049 2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.426 -0.746 2.273 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.813 -0.562 3.832 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.726 -1.649 4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.212 -0.901 6.230 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.122 -1.981 6.757 1.00 0.00 H new ATOM 0 HH TYR A 44 7.581 -1.928 8.415 1.00 0.00 H new ATOM 628 N ILE A 45 5.940 -3.302 1.517 1.00 0.00 N ATOM 629 CA ILE A 45 5.082 -4.456 1.757 1.00 0.00 C ATOM 630 C ILE A 45 5.723 -5.736 1.232 1.00 0.00 C ATOM 631 O ILE A 45 5.677 -6.779 1.885 1.00 0.00 O ATOM 632 CB ILE A 45 3.702 -4.278 1.097 1.00 0.00 C ATOM 633 CG1 ILE A 45 3.005 -3.032 1.648 1.00 0.00 C ATOM 634 CG2 ILE A 45 2.844 -5.514 1.322 1.00 0.00 C ATOM 635 CD1 ILE A 45 2.035 -2.401 0.674 1.00 0.00 C ATOM 0 H ILE A 45 5.476 -2.520 1.054 1.00 0.00 H new ATOM 0 HA ILE A 45 4.952 -4.534 2.836 1.00 0.00 H new ATOM 0 HB ILE A 45 3.843 -4.148 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.470 -3.298 2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.760 -2.296 1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.872 -5.373 0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.337 -6.383 0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.708 -5.673 2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.579 -1.524 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.568 -2.103 -0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.258 -3.121 0.416 1.00 0.00 H new ATOM 647 N SER A 46 6.322 -5.649 0.049 1.00 0.00 N ATOM 648 CA SER A 46 6.972 -6.801 -0.566 1.00 0.00 C ATOM 649 C SER A 46 8.111 -7.314 0.310 1.00 0.00 C ATOM 650 O SER A 46 8.255 -8.519 0.519 1.00 0.00 O ATOM 651 CB SER A 46 7.505 -6.434 -1.952 1.00 0.00 C ATOM 652 OG SER A 46 7.772 -7.594 -2.720 1.00 0.00 O ATOM 0 H SER A 46 6.371 -4.793 -0.503 1.00 0.00 H new ATOM 0 HA SER A 46 6.230 -7.593 -0.668 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.777 -5.810 -2.471 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.416 -5.844 -1.850 1.00 0.00 H new ATOM 0 HG SER A 46 8.110 -7.332 -3.602 1.00 0.00 H new ATOM 658 N LYS A 47 8.918 -6.391 0.821 1.00 0.00 N ATOM 659 CA LYS A 47 10.044 -6.746 1.676 1.00 0.00 C ATOM 660 C LYS A 47 9.627 -7.768 2.729 1.00 0.00 C ATOM 661 O LYS A 47 10.332 -8.746 2.972 1.00 0.00 O ATOM 662 CB LYS A 47 10.608 -5.497 2.357 1.00 0.00 C ATOM 663 CG LYS A 47 11.294 -4.539 1.398 1.00 0.00 C ATOM 664 CD LYS A 47 12.145 -3.522 2.140 1.00 0.00 C ATOM 665 CE LYS A 47 13.164 -2.870 1.218 1.00 0.00 C ATOM 666 NZ LYS A 47 12.620 -1.647 0.566 1.00 0.00 N ATOM 0 H LYS A 47 8.813 -5.390 0.657 1.00 0.00 H new ATOM 0 HA LYS A 47 10.817 -7.191 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.798 -4.973 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.320 -5.802 3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.919 -5.102 0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.544 -4.021 0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.503 -2.756 2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.661 -4.011 2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.056 -2.611 1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.470 -3.584 0.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.345 -1.232 -0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.783 -1.898 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.351 -0.955 1.295 1.00 0.00 H new ATOM 680 N MET A 48 8.475 -7.534 3.350 1.00 0.00 N ATOM 681 CA MET A 48 7.963 -8.436 4.375 1.00 0.00 C ATOM 682 C MET A 48 7.946 -9.876 3.873 1.00 0.00 C ATOM 683 O MET A 48 8.481 -10.776 4.521 1.00 0.00 O ATOM 684 CB MET A 48 6.554 -8.015 4.797 1.00 0.00 C ATOM 685 CG MET A 48 6.184 -8.458 6.203 1.00 0.00 C ATOM 686 SD MET A 48 4.440 -8.192 6.579 1.00 0.00 S ATOM 687 CE MET A 48 4.496 -8.043 8.363 1.00 0.00 C ATOM 0 H MET A 48 7.879 -6.728 3.161 1.00 0.00 H new ATOM 0 HA MET A 48 8.626 -8.378 5.238 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.473 -6.930 4.734 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.833 -8.430 4.092 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.420 -9.516 6.320 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.794 -7.914 6.924 1.00 0.00 H new ATOM 0 HE1 MET A 48 3.489 -7.875 8.746 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.899 -8.960 8.792 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.134 -7.203 8.638 1.00 0.00 H new ATOM 697 N SER A 49 7.329 -10.087 2.714 1.00 0.00 N ATOM 698 CA SER A 49 7.240 -11.419 2.128 1.00 0.00 C ATOM 699 C SER A 49 8.516 -11.765 1.367 1.00 0.00 C ATOM 700 O SER A 49 9.024 -10.961 0.586 1.00 0.00 O ATOM 701 CB SER A 49 6.034 -11.507 1.190 1.00 0.00 C ATOM 702 OG SER A 49 6.129 -10.552 0.147 1.00 0.00 O ATOM 0 H SER A 49 6.884 -9.353 2.163 1.00 0.00 H new ATOM 0 HA SER A 49 7.115 -12.137 2.938 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.972 -12.509 0.765 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.117 -11.343 1.755 1.00 0.00 H new ATOM 0 HG SER A 49 6.909 -9.979 0.298 1.00 0.00 H new ATOM 708 N GLY A 50 9.031 -12.968 1.603 1.00 0.00 N ATOM 709 CA GLY A 50 10.244 -13.400 0.933 1.00 0.00 C ATOM 710 C GLY A 50 10.102 -13.407 -0.576 1.00 0.00 C ATOM 711 O GLY A 50 9.032 -13.680 -1.119 1.00 0.00 O ATOM 0 H GLY A 50 8.630 -13.651 2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.065 -12.741 1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.507 -14.401 1.275 1.00 0.00 H new ATOM 715 N PRO A 51 11.202 -13.098 -1.278 1.00 0.00 N ATOM 716 CA PRO A 51 11.221 -13.062 -2.744 1.00 0.00 C ATOM 717 C PRO A 51 11.098 -14.451 -3.360 1.00 0.00 C ATOM 718 O PRO A 51 11.971 -15.300 -3.180 1.00 0.00 O ATOM 719 CB PRO A 51 12.588 -12.453 -3.066 1.00 0.00 C ATOM 720 CG PRO A 51 13.435 -12.777 -1.884 1.00 0.00 C ATOM 721 CD PRO A 51 12.513 -12.762 -0.697 1.00 0.00 C ATOM 0 HA PRO A 51 10.381 -12.497 -3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.005 -12.877 -3.980 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.516 -11.376 -3.218 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.908 -13.752 -1.998 1.00 0.00 H new ATOM 0 HG3 PRO A 51 14.235 -12.047 -1.766 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.817 -13.489 0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.499 -11.786 -0.211 1.00 0.00 H new ATOM 729 N SER A 52 10.009 -14.676 -4.088 1.00 0.00 N ATOM 730 CA SER A 52 9.771 -15.965 -4.728 1.00 0.00 C ATOM 731 C SER A 52 8.530 -15.910 -5.614 1.00 0.00 C ATOM 732 O SER A 52 7.603 -15.142 -5.356 1.00 0.00 O ATOM 733 CB SER A 52 9.610 -17.060 -3.673 1.00 0.00 C ATOM 734 OG SER A 52 8.302 -17.056 -3.129 1.00 0.00 O ATOM 0 H SER A 52 9.278 -13.983 -4.249 1.00 0.00 H new ATOM 0 HA SER A 52 10.633 -16.197 -5.353 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.819 -18.032 -4.119 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.339 -16.912 -2.876 1.00 0.00 H new ATOM 0 HG SER A 52 8.224 -17.766 -2.458 1.00 0.00 H new ATOM 740 N SER A 53 8.521 -16.729 -6.660 1.00 0.00 N ATOM 741 CA SER A 53 7.396 -16.772 -7.588 1.00 0.00 C ATOM 742 C SER A 53 6.072 -16.626 -6.844 1.00 0.00 C ATOM 743 O SER A 53 5.236 -15.797 -7.199 1.00 0.00 O ATOM 744 CB SER A 53 7.408 -18.083 -8.377 1.00 0.00 C ATOM 745 OG SER A 53 8.458 -18.095 -9.329 1.00 0.00 O ATOM 0 H SER A 53 9.280 -17.372 -6.887 1.00 0.00 H new ATOM 0 HA SER A 53 7.497 -15.937 -8.282 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.524 -18.923 -7.692 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.452 -18.215 -8.884 1.00 0.00 H new ATOM 0 HG SER A 53 8.446 -18.944 -9.819 1.00 0.00 H new ATOM 751 N GLY A 54 5.890 -17.439 -5.807 1.00 0.00 N ATOM 752 CA GLY A 54 4.667 -17.385 -5.029 1.00 0.00 C ATOM 753 C GLY A 54 4.753 -16.398 -3.881 1.00 0.00 C ATOM 754 O GLY A 54 4.305 -16.686 -2.771 1.00 0.00 O ATOM 0 H GLY A 54 6.568 -18.133 -5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.838 -17.109 -5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.446 -18.377 -4.635 1.00 0.00 H new TER 758 GLY A 54