USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 254 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 7 TYR OH : rot -95:sc= 0.367 USER MOD Set 1.2: A 11 GLN : amide:sc= 0.166 X(o=0.53,f=0.12) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.389 (180deg=-0.0295) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.19) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 60:sc= 1.26 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.302 -24.164 -13.631 1.00 0.00 N ATOM 2 CA MET A 1 -5.072 -23.435 -13.213 1.00 0.00 C ATOM 3 C MET A 1 -4.915 -22.169 -14.059 1.00 0.00 C ATOM 4 O MET A 1 -5.757 -21.847 -14.873 1.00 0.00 O ATOM 5 CB MET A 1 -3.853 -24.337 -13.412 1.00 0.00 C ATOM 6 CG MET A 1 -3.915 -25.505 -12.424 1.00 0.00 C ATOM 7 SD MET A 1 -4.453 -26.999 -13.291 1.00 0.00 S ATOM 8 CE MET A 1 -2.829 -27.500 -13.907 1.00 0.00 C ATOM 0 H1 MET A 1 -7.036 -24.053 -12.902 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.647 -23.775 -14.532 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.083 -25.174 -13.751 1.00 0.00 H new ATOM 0 HA MET A 1 -5.153 -23.160 -12.161 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.829 -24.713 -14.435 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.937 -23.767 -13.260 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.936 -25.666 -11.973 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.606 -25.273 -11.613 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.926 -28.420 -14.483 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.423 -26.714 -14.544 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.157 -27.668 -13.066 1.00 0.00 H new ATOM 20 N GLY A 2 -3.844 -21.448 -13.873 1.00 0.00 N ATOM 21 CA GLY A 2 -3.635 -20.205 -14.668 1.00 0.00 C ATOM 22 C GLY A 2 -2.256 -19.620 -14.356 1.00 0.00 C ATOM 23 O GLY A 2 -1.586 -20.045 -13.435 1.00 0.00 O ATOM 0 H GLY A 2 -3.105 -21.666 -13.205 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.715 -20.425 -15.733 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.411 -19.477 -14.433 1.00 0.00 H new ATOM 27 N LYS A 3 -1.829 -18.649 -15.115 1.00 0.00 N ATOM 28 CA LYS A 3 -0.494 -18.037 -14.863 1.00 0.00 C ATOM 29 C LYS A 3 -0.579 -16.525 -15.078 1.00 0.00 C ATOM 30 O LYS A 3 -0.533 -15.751 -14.142 1.00 0.00 O ATOM 31 CB LYS A 3 0.532 -18.633 -15.830 1.00 0.00 C ATOM 32 CG LYS A 3 0.836 -20.075 -15.425 1.00 0.00 C ATOM 33 CD LYS A 3 1.804 -20.080 -14.241 1.00 0.00 C ATOM 34 CE LYS A 3 2.079 -21.521 -13.810 1.00 0.00 C ATOM 35 NZ LYS A 3 3.323 -21.567 -12.991 1.00 0.00 N ATOM 0 H LYS A 3 -2.347 -18.253 -15.899 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.188 -18.242 -13.837 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.147 -18.604 -16.849 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.447 -18.040 -15.818 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.086 -20.590 -15.156 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.270 -20.616 -16.266 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.736 -19.588 -14.518 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.381 -19.516 -13.410 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.238 -21.906 -13.234 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.184 -22.160 -14.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.510 -22.547 -12.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.123 -21.216 -13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.206 -20.970 -12.148 1.00 0.00 H new ATOM 49 N ALA A 4 -0.706 -16.098 -16.305 1.00 0.00 N ATOM 50 CA ALA A 4 -0.797 -14.637 -16.581 1.00 0.00 C ATOM 51 C ALA A 4 0.392 -13.918 -15.937 1.00 0.00 C ATOM 52 O ALA A 4 0.289 -12.781 -15.520 1.00 0.00 O ATOM 53 CB ALA A 4 -2.101 -14.088 -15.999 1.00 0.00 C ATOM 0 H ALA A 4 -0.751 -16.699 -17.128 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.781 -14.471 -17.658 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.168 -13.019 -16.201 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.948 -14.598 -16.459 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.118 -14.256 -14.922 1.00 0.00 H new ATOM 59 N GLU A 5 1.518 -14.570 -15.853 1.00 0.00 N ATOM 60 CA GLU A 5 2.709 -13.921 -15.236 1.00 0.00 C ATOM 61 C GLU A 5 2.986 -12.588 -15.937 1.00 0.00 C ATOM 62 O GLU A 5 2.634 -11.534 -15.447 1.00 0.00 O ATOM 63 CB GLU A 5 3.925 -14.839 -15.387 1.00 0.00 C ATOM 64 CG GLU A 5 3.970 -15.825 -14.217 1.00 0.00 C ATOM 65 CD GLU A 5 4.579 -15.138 -12.993 1.00 0.00 C ATOM 66 OE1 GLU A 5 5.136 -14.065 -13.156 1.00 0.00 O ATOM 67 OE2 GLU A 5 4.480 -15.698 -11.914 1.00 0.00 O ATOM 0 H GLU A 5 1.665 -15.523 -16.184 1.00 0.00 H new ATOM 0 HA GLU A 5 2.517 -13.742 -14.178 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.870 -15.381 -16.331 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.840 -14.247 -15.413 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.965 -16.178 -13.986 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.561 -16.700 -14.488 1.00 0.00 H new ATOM 74 N ASN A 6 3.614 -12.625 -17.082 1.00 0.00 N ATOM 75 CA ASN A 6 3.912 -11.361 -17.811 1.00 0.00 C ATOM 76 C ASN A 6 2.603 -10.629 -18.119 1.00 0.00 C ATOM 77 O ASN A 6 2.592 -9.448 -18.401 1.00 0.00 O ATOM 78 CB ASN A 6 4.634 -11.686 -19.120 1.00 0.00 C ATOM 79 CG ASN A 6 5.573 -10.533 -19.485 1.00 0.00 C ATOM 80 OD1 ASN A 6 6.439 -10.173 -18.714 1.00 0.00 O ATOM 81 ND2 ASN A 6 5.437 -9.936 -20.639 1.00 0.00 N ATOM 0 H ASN A 6 3.933 -13.477 -17.543 1.00 0.00 H new ATOM 0 HA ASN A 6 4.547 -10.726 -17.193 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.201 -12.611 -19.015 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.909 -11.845 -19.918 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.058 -9.168 -20.892 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.710 -10.238 -21.287 1.00 0.00 H new ATOM 88 N TYR A 7 1.499 -11.324 -18.072 1.00 0.00 N ATOM 89 CA TYR A 7 0.193 -10.669 -18.364 1.00 0.00 C ATOM 90 C TYR A 7 -0.023 -9.501 -17.399 1.00 0.00 C ATOM 91 O TYR A 7 -0.003 -8.350 -17.788 1.00 0.00 O ATOM 92 CB TYR A 7 -0.935 -11.689 -18.192 1.00 0.00 C ATOM 93 CG TYR A 7 -2.269 -10.981 -18.226 1.00 0.00 C ATOM 94 CD1 TYR A 7 -2.636 -10.228 -19.348 1.00 0.00 C ATOM 95 CD2 TYR A 7 -3.140 -11.082 -17.135 1.00 0.00 C ATOM 96 CE1 TYR A 7 -3.874 -9.575 -19.378 1.00 0.00 C ATOM 97 CE2 TYR A 7 -4.377 -10.429 -17.165 1.00 0.00 C ATOM 98 CZ TYR A 7 -4.745 -9.676 -18.286 1.00 0.00 C ATOM 99 OH TYR A 7 -5.966 -9.034 -18.316 1.00 0.00 O ATOM 0 H TYR A 7 1.445 -12.317 -17.844 1.00 0.00 H new ATOM 0 HA TYR A 7 0.195 -10.295 -19.388 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.888 -12.435 -18.985 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.818 -12.220 -17.247 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -1.964 -10.151 -20.190 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.857 -11.664 -16.270 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.157 -8.994 -20.243 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.048 -10.506 -16.323 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.888 -8.161 -17.877 1.00 0.00 H new ATOM 109 N GLU A 8 -0.229 -9.786 -16.143 1.00 0.00 N ATOM 110 CA GLU A 8 -0.447 -8.691 -15.156 1.00 0.00 C ATOM 111 C GLU A 8 0.740 -7.727 -15.186 1.00 0.00 C ATOM 112 O GLU A 8 0.579 -6.532 -15.345 1.00 0.00 O ATOM 113 CB GLU A 8 -0.583 -9.288 -13.753 1.00 0.00 C ATOM 114 CG GLU A 8 -2.034 -9.156 -13.284 1.00 0.00 C ATOM 115 CD GLU A 8 -2.441 -10.416 -12.516 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.783 -10.727 -11.537 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.404 -11.045 -12.919 1.00 0.00 O ATOM 0 H GLU A 8 -0.256 -10.730 -15.757 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.358 -8.150 -15.412 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.286 -10.337 -13.761 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.083 -8.773 -13.060 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.143 -8.278 -12.647 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.692 -9.011 -14.141 1.00 0.00 H new ATOM 124 N LEU A 9 1.933 -8.232 -15.034 1.00 0.00 N ATOM 125 CA LEU A 9 3.128 -7.341 -15.051 1.00 0.00 C ATOM 126 C LEU A 9 3.005 -6.340 -16.202 1.00 0.00 C ATOM 127 O LEU A 9 3.533 -5.248 -16.146 1.00 0.00 O ATOM 128 CB LEU A 9 4.390 -8.185 -15.239 1.00 0.00 C ATOM 129 CG LEU A 9 5.225 -8.141 -13.958 1.00 0.00 C ATOM 130 CD1 LEU A 9 5.867 -9.509 -13.717 1.00 0.00 C ATOM 131 CD2 LEU A 9 6.319 -7.082 -14.100 1.00 0.00 C ATOM 0 H LEU A 9 2.132 -9.223 -14.899 1.00 0.00 H new ATOM 0 HA LEU A 9 3.190 -6.800 -14.107 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.121 -9.214 -15.476 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.972 -7.807 -16.079 1.00 0.00 H new ATOM 0 HG LEU A 9 4.582 -7.890 -13.115 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.462 -9.476 -12.804 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.087 -10.264 -13.615 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.510 -9.763 -14.560 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.915 -7.050 -13.188 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.961 -7.333 -14.944 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.862 -6.107 -14.270 1.00 0.00 H new ATOM 143 N TYR A 10 2.310 -6.703 -17.246 1.00 0.00 N ATOM 144 CA TYR A 10 2.155 -5.767 -18.396 1.00 0.00 C ATOM 145 C TYR A 10 1.129 -4.691 -18.040 1.00 0.00 C ATOM 146 O TYR A 10 1.346 -3.516 -18.256 1.00 0.00 O ATOM 147 CB TYR A 10 1.677 -6.540 -19.626 1.00 0.00 C ATOM 148 CG TYR A 10 1.532 -5.594 -20.794 1.00 0.00 C ATOM 149 CD1 TYR A 10 2.653 -4.919 -21.294 1.00 0.00 C ATOM 150 CD2 TYR A 10 0.276 -5.390 -21.379 1.00 0.00 C ATOM 151 CE1 TYR A 10 2.519 -4.042 -22.376 1.00 0.00 C ATOM 152 CE2 TYR A 10 0.141 -4.513 -22.462 1.00 0.00 C ATOM 153 CZ TYR A 10 1.262 -3.839 -22.961 1.00 0.00 C ATOM 154 OH TYR A 10 1.130 -2.973 -24.028 1.00 0.00 O ATOM 0 H TYR A 10 1.844 -7.604 -17.352 1.00 0.00 H new ATOM 0 HA TYR A 10 3.115 -5.299 -18.614 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.388 -7.330 -19.871 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.723 -7.024 -19.416 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.622 -5.076 -20.844 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.589 -5.910 -20.994 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.384 -3.522 -22.760 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.828 -4.356 -22.912 1.00 0.00 H new ATOM 0 HH TYR A 10 0.193 -2.948 -24.315 1.00 0.00 H new ATOM 164 N GLN A 11 0.010 -5.083 -17.493 1.00 0.00 N ATOM 165 CA GLN A 11 -1.029 -4.079 -17.122 1.00 0.00 C ATOM 166 C GLN A 11 -0.421 -3.050 -16.168 1.00 0.00 C ATOM 167 O GLN A 11 -0.739 -1.878 -16.219 1.00 0.00 O ATOM 168 CB GLN A 11 -2.198 -4.786 -16.432 1.00 0.00 C ATOM 169 CG GLN A 11 -3.119 -5.397 -17.489 1.00 0.00 C ATOM 170 CD GLN A 11 -4.550 -5.451 -16.950 1.00 0.00 C ATOM 171 OE1 GLN A 11 -5.148 -6.505 -16.885 1.00 0.00 O ATOM 172 NE2 GLN A 11 -5.127 -4.347 -16.555 1.00 0.00 N ATOM 0 H GLN A 11 -0.230 -6.053 -17.287 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.388 -3.577 -18.020 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.825 -5.564 -15.766 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.753 -4.078 -15.816 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.085 -4.803 -18.403 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.778 -6.400 -17.748 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.624 -3.461 -16.610 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.080 -4.371 -16.192 1.00 0.00 H new ATOM 181 N VAL A 12 0.454 -3.477 -15.298 1.00 0.00 N ATOM 182 CA VAL A 12 1.083 -2.520 -14.344 1.00 0.00 C ATOM 183 C VAL A 12 2.108 -1.661 -15.085 1.00 0.00 C ATOM 184 O VAL A 12 2.402 -0.550 -14.691 1.00 0.00 O ATOM 185 CB VAL A 12 1.784 -3.299 -13.230 1.00 0.00 C ATOM 186 CG1 VAL A 12 2.844 -4.217 -13.838 1.00 0.00 C ATOM 187 CG2 VAL A 12 2.453 -2.315 -12.268 1.00 0.00 C ATOM 0 H VAL A 12 0.760 -4.446 -15.207 1.00 0.00 H new ATOM 0 HA VAL A 12 0.314 -1.879 -13.913 1.00 0.00 H new ATOM 0 HB VAL A 12 1.053 -3.899 -12.689 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.343 -4.772 -13.044 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.369 -4.916 -14.526 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.577 -3.618 -14.379 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.954 -2.867 -11.473 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.185 -1.716 -12.810 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.698 -1.659 -11.835 1.00 0.00 H new ATOM 197 N GLU A 13 2.656 -2.169 -16.156 1.00 0.00 N ATOM 198 CA GLU A 13 3.663 -1.380 -16.921 1.00 0.00 C ATOM 199 C GLU A 13 2.955 -0.263 -17.689 1.00 0.00 C ATOM 200 O GLU A 13 3.581 0.634 -18.217 1.00 0.00 O ATOM 201 CB GLU A 13 4.390 -2.300 -17.904 1.00 0.00 C ATOM 202 CG GLU A 13 5.459 -3.100 -17.159 1.00 0.00 C ATOM 203 CD GLU A 13 6.834 -2.803 -17.760 1.00 0.00 C ATOM 204 OE1 GLU A 13 6.896 -2.563 -18.954 1.00 0.00 O ATOM 205 OE2 GLU A 13 7.800 -2.821 -17.016 1.00 0.00 O ATOM 0 H GLU A 13 2.450 -3.094 -16.533 1.00 0.00 H new ATOM 0 HA GLU A 13 4.386 -0.944 -16.232 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.679 -2.977 -18.379 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.849 -1.711 -18.698 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.450 -2.841 -16.100 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.243 -4.166 -17.228 1.00 0.00 H new ATOM 212 N LEU A 14 1.651 -0.306 -17.750 1.00 0.00 N ATOM 213 CA LEU A 14 0.903 0.756 -18.480 1.00 0.00 C ATOM 214 C LEU A 14 1.133 2.101 -17.786 1.00 0.00 C ATOM 215 O LEU A 14 1.767 2.989 -18.322 1.00 0.00 O ATOM 216 CB LEU A 14 -0.592 0.428 -18.466 1.00 0.00 C ATOM 217 CG LEU A 14 -1.009 -0.120 -19.832 1.00 0.00 C ATOM 218 CD1 LEU A 14 -0.869 0.977 -20.888 1.00 0.00 C ATOM 219 CD2 LEU A 14 -0.110 -1.303 -20.204 1.00 0.00 C ATOM 0 H LEU A 14 1.072 -1.031 -17.326 1.00 0.00 H new ATOM 0 HA LEU A 14 1.254 0.808 -19.511 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.807 -0.304 -17.688 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.169 1.322 -18.230 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.047 -0.451 -19.788 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.166 0.586 -21.861 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.509 1.819 -20.625 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.168 1.309 -20.932 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.407 -1.694 -21.177 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.928 -0.972 -20.247 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.210 -2.086 -19.453 1.00 0.00 H new ATOM 231 N GLY A 15 0.623 2.255 -16.594 1.00 0.00 N ATOM 232 CA GLY A 15 0.810 3.537 -15.859 1.00 0.00 C ATOM 233 C GLY A 15 1.014 3.243 -14.370 1.00 0.00 C ATOM 234 O GLY A 15 0.059 3.112 -13.630 1.00 0.00 O ATOM 0 H GLY A 15 0.084 1.546 -16.097 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.671 4.075 -16.256 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.059 4.179 -15.999 1.00 0.00 H new ATOM 238 N PRO A 16 2.259 3.145 -13.975 1.00 0.00 N ATOM 239 CA PRO A 16 2.628 2.862 -12.577 1.00 0.00 C ATOM 240 C PRO A 16 2.487 4.124 -11.721 1.00 0.00 C ATOM 241 O PRO A 16 2.656 4.092 -10.519 1.00 0.00 O ATOM 242 CB PRO A 16 4.093 2.428 -12.674 1.00 0.00 C ATOM 243 CG PRO A 16 4.637 3.018 -13.997 1.00 0.00 C ATOM 244 CD PRO A 16 3.411 3.308 -14.885 1.00 0.00 C ATOM 0 HA PRO A 16 1.995 2.107 -12.110 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.664 2.795 -11.821 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.177 1.341 -12.670 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.205 3.929 -13.810 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.312 2.316 -14.486 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.450 4.314 -15.302 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.356 2.617 -15.726 1.00 0.00 H new ATOM 252 N GLY A 17 2.175 5.236 -12.331 1.00 0.00 N ATOM 253 CA GLY A 17 2.024 6.497 -11.550 1.00 0.00 C ATOM 254 C GLY A 17 0.974 6.295 -10.452 1.00 0.00 C ATOM 255 O GLY A 17 1.311 6.014 -9.319 1.00 0.00 O ATOM 0 H GLY A 17 2.018 5.325 -13.335 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.979 6.780 -11.107 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.725 7.312 -12.209 1.00 0.00 H new ATOM 259 N PRO A 18 -0.271 6.447 -10.825 1.00 0.00 N ATOM 260 CA PRO A 18 -1.405 6.288 -9.896 1.00 0.00 C ATOM 261 C PRO A 18 -1.697 4.803 -9.667 1.00 0.00 C ATOM 262 O PRO A 18 -2.688 4.276 -10.133 1.00 0.00 O ATOM 263 CB PRO A 18 -2.564 6.970 -10.627 1.00 0.00 C ATOM 264 CG PRO A 18 -2.192 6.972 -12.130 1.00 0.00 C ATOM 265 CD PRO A 18 -0.665 6.790 -12.205 1.00 0.00 C ATOM 0 HA PRO A 18 -1.221 6.717 -8.911 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.498 6.434 -10.459 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.709 7.987 -10.261 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.705 6.167 -12.657 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.495 7.906 -12.603 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -0.392 6.000 -12.905 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.172 7.701 -12.545 1.00 0.00 H new ATOM 273 N SER A 19 -0.838 4.125 -8.958 1.00 0.00 N ATOM 274 CA SER A 19 -1.060 2.674 -8.703 1.00 0.00 C ATOM 275 C SER A 19 -1.917 2.489 -7.449 1.00 0.00 C ATOM 276 O SER A 19 -2.067 1.393 -6.946 1.00 0.00 O ATOM 277 CB SER A 19 0.290 1.981 -8.505 1.00 0.00 C ATOM 278 OG SER A 19 0.565 1.158 -9.632 1.00 0.00 O ATOM 0 H SER A 19 0.009 4.513 -8.544 1.00 0.00 H new ATOM 0 HA SER A 19 -1.577 2.235 -9.556 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.078 2.724 -8.381 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.273 1.379 -7.596 1.00 0.00 H new ATOM 0 HG SER A 19 1.430 0.714 -9.509 1.00 0.00 H new ATOM 284 N GLY A 20 -2.485 3.548 -6.938 1.00 0.00 N ATOM 285 CA GLY A 20 -3.335 3.417 -5.720 1.00 0.00 C ATOM 286 C GLY A 20 -2.919 4.458 -4.678 1.00 0.00 C ATOM 287 O GLY A 20 -2.121 4.192 -3.803 1.00 0.00 O ATOM 0 H GLY A 20 -2.398 4.494 -7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.384 3.552 -5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.237 2.414 -5.304 1.00 0.00 H new ATOM 291 N ASP A 21 -3.460 5.644 -4.763 1.00 0.00 N ATOM 292 CA ASP A 21 -3.099 6.700 -3.775 1.00 0.00 C ATOM 293 C ASP A 21 -4.311 7.602 -3.524 1.00 0.00 C ATOM 294 O ASP A 21 -4.196 8.663 -2.945 1.00 0.00 O ATOM 295 CB ASP A 21 -1.945 7.541 -4.322 1.00 0.00 C ATOM 296 CG ASP A 21 -0.859 7.677 -3.253 1.00 0.00 C ATOM 297 OD1 ASP A 21 -0.866 6.886 -2.324 1.00 0.00 O ATOM 298 OD2 ASP A 21 -0.036 8.569 -3.382 1.00 0.00 O ATOM 0 H ASP A 21 -4.135 5.926 -5.473 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.795 6.230 -2.840 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.533 7.074 -5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.307 8.527 -4.615 1.00 0.00 H new ATOM 303 N MET A 22 -5.472 7.188 -3.956 1.00 0.00 N ATOM 304 CA MET A 22 -6.687 8.025 -3.743 1.00 0.00 C ATOM 305 C MET A 22 -7.887 7.364 -4.422 1.00 0.00 C ATOM 306 O MET A 22 -9.009 7.475 -3.969 1.00 0.00 O ATOM 307 CB MET A 22 -6.461 9.415 -4.345 1.00 0.00 C ATOM 308 CG MET A 22 -7.182 10.464 -3.497 1.00 0.00 C ATOM 309 SD MET A 22 -6.227 12.001 -3.499 1.00 0.00 S ATOM 310 CE MET A 22 -7.088 12.803 -4.875 1.00 0.00 C ATOM 0 H MET A 22 -5.631 6.308 -4.446 1.00 0.00 H new ATOM 0 HA MET A 22 -6.881 8.119 -2.675 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.394 9.636 -4.386 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.832 9.443 -5.370 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.181 10.644 -3.894 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.305 10.101 -2.477 1.00 0.00 H new ATOM 0 HE1 MET A 22 -6.652 13.786 -5.053 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.987 12.193 -5.773 1.00 0.00 H new ATOM 0 HE3 MET A 22 -8.144 12.914 -4.629 1.00 0.00 H new ATOM 320 N ALA A 23 -7.662 6.679 -5.510 1.00 0.00 N ATOM 321 CA ALA A 23 -8.792 6.014 -6.218 1.00 0.00 C ATOM 322 C ALA A 23 -8.723 4.503 -5.989 1.00 0.00 C ATOM 323 O ALA A 23 -9.333 3.730 -6.702 1.00 0.00 O ATOM 324 CB ALA A 23 -8.696 6.307 -7.716 1.00 0.00 C ATOM 0 H ALA A 23 -6.745 6.551 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.737 6.396 -5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.522 5.821 -8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.747 7.383 -7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.750 5.926 -8.101 1.00 0.00 H new ATOM 330 N ALA A 24 -7.987 4.073 -5.001 1.00 0.00 N ATOM 331 CA ALA A 24 -7.883 2.611 -4.731 1.00 0.00 C ATOM 332 C ALA A 24 -9.240 2.083 -4.257 1.00 0.00 C ATOM 333 O ALA A 24 -9.716 1.064 -4.717 1.00 0.00 O ATOM 334 CB ALA A 24 -6.833 2.366 -3.644 1.00 0.00 C ATOM 0 H ALA A 24 -7.453 4.670 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.589 2.093 -5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.757 1.297 -3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.867 2.743 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.127 2.884 -2.731 1.00 0.00 H new ATOM 340 N LYS A 25 -9.866 2.769 -3.339 1.00 0.00 N ATOM 341 CA LYS A 25 -11.191 2.307 -2.835 1.00 0.00 C ATOM 342 C LYS A 25 -12.218 2.356 -3.967 1.00 0.00 C ATOM 343 O LYS A 25 -12.974 1.427 -4.172 1.00 0.00 O ATOM 344 CB LYS A 25 -11.644 3.222 -1.695 1.00 0.00 C ATOM 345 CG LYS A 25 -10.701 3.058 -0.502 1.00 0.00 C ATOM 346 CD LYS A 25 -11.426 2.315 0.624 1.00 0.00 C ATOM 347 CE LYS A 25 -10.538 1.183 1.143 1.00 0.00 C ATOM 348 NZ LYS A 25 -9.818 1.638 2.366 1.00 0.00 N ATOM 0 H LYS A 25 -9.517 3.629 -2.916 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.105 1.283 -2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.649 4.260 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.665 2.977 -1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.810 2.506 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.367 4.035 -0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.665 3.004 1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.371 1.912 0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.144 0.306 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.823 0.887 0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.214 0.869 2.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.228 2.463 2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.509 1.900 3.098 1.00 0.00 H new ATOM 362 N MET A 26 -12.256 3.435 -4.702 1.00 0.00 N ATOM 363 CA MET A 26 -13.240 3.543 -5.815 1.00 0.00 C ATOM 364 C MET A 26 -12.986 2.432 -6.838 1.00 0.00 C ATOM 365 O MET A 26 -13.861 2.058 -7.593 1.00 0.00 O ATOM 366 CB MET A 26 -13.091 4.905 -6.495 1.00 0.00 C ATOM 367 CG MET A 26 -13.081 6.008 -5.435 1.00 0.00 C ATOM 368 SD MET A 26 -13.879 7.491 -6.098 1.00 0.00 S ATOM 369 CE MET A 26 -15.278 7.526 -4.952 1.00 0.00 C ATOM 0 H MET A 26 -11.648 4.245 -4.579 1.00 0.00 H new ATOM 0 HA MET A 26 -14.249 3.442 -5.416 1.00 0.00 H new ATOM 0 HB2 MET A 26 -12.168 4.935 -7.074 1.00 0.00 H new ATOM 0 HB3 MET A 26 -13.912 5.066 -7.194 1.00 0.00 H new ATOM 0 HG2 MET A 26 -13.603 5.671 -4.539 1.00 0.00 H new ATOM 0 HG3 MET A 26 -12.056 6.235 -5.140 1.00 0.00 H new ATOM 0 HE1 MET A 26 -15.916 8.379 -5.183 1.00 0.00 H new ATOM 0 HE2 MET A 26 -15.853 6.605 -5.052 1.00 0.00 H new ATOM 0 HE3 MET A 26 -14.909 7.615 -3.930 1.00 0.00 H new ATOM 379 N SER A 27 -11.793 1.902 -6.871 1.00 0.00 N ATOM 380 CA SER A 27 -11.487 0.818 -7.848 1.00 0.00 C ATOM 381 C SER A 27 -12.156 -0.483 -7.399 1.00 0.00 C ATOM 382 O SER A 27 -13.021 -1.011 -8.067 1.00 0.00 O ATOM 383 CB SER A 27 -9.974 0.611 -7.924 1.00 0.00 C ATOM 384 OG SER A 27 -9.370 1.764 -8.497 1.00 0.00 O ATOM 0 H SER A 27 -11.018 2.172 -6.265 1.00 0.00 H new ATOM 0 HA SER A 27 -11.866 1.100 -8.830 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.569 0.431 -6.928 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.746 -0.270 -8.524 1.00 0.00 H new ATOM 0 HG SER A 27 -9.567 2.547 -7.941 1.00 0.00 H new ATOM 390 N LYS A 28 -11.758 -1.006 -6.270 1.00 0.00 N ATOM 391 CA LYS A 28 -12.367 -2.275 -5.780 1.00 0.00 C ATOM 392 C LYS A 28 -13.884 -2.229 -5.970 1.00 0.00 C ATOM 393 O LYS A 28 -14.511 -3.229 -6.259 1.00 0.00 O ATOM 394 CB LYS A 28 -12.048 -2.451 -4.293 1.00 0.00 C ATOM 395 CG LYS A 28 -12.448 -3.859 -3.852 1.00 0.00 C ATOM 396 CD LYS A 28 -11.540 -4.885 -4.532 1.00 0.00 C ATOM 397 CE LYS A 28 -10.516 -5.407 -3.525 1.00 0.00 C ATOM 398 NZ LYS A 28 -9.154 -4.959 -3.925 1.00 0.00 N ATOM 0 H LYS A 28 -11.038 -0.609 -5.667 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.958 -3.112 -6.346 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.984 -2.291 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.584 -1.707 -3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.368 -3.949 -2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.489 -4.051 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.135 -5.711 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.031 -4.429 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.752 -5.040 -2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.554 -6.495 -3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.457 -5.314 -3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.930 -5.330 -4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.122 -3.920 -3.944 1.00 0.00 H new ATOM 412 N LYS A 29 -14.479 -1.080 -5.808 1.00 0.00 N ATOM 413 CA LYS A 29 -15.956 -0.978 -5.978 1.00 0.00 C ATOM 414 C LYS A 29 -16.382 -1.728 -7.242 1.00 0.00 C ATOM 415 O LYS A 29 -17.078 -2.721 -7.180 1.00 0.00 O ATOM 416 CB LYS A 29 -16.357 0.493 -6.097 1.00 0.00 C ATOM 417 CG LYS A 29 -17.658 0.729 -5.326 1.00 0.00 C ATOM 418 CD LYS A 29 -17.979 2.226 -5.315 1.00 0.00 C ATOM 419 CE LYS A 29 -19.454 2.428 -4.962 1.00 0.00 C ATOM 420 NZ LYS A 29 -19.766 3.886 -4.951 1.00 0.00 N ATOM 0 H LYS A 29 -14.008 -0.208 -5.566 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.450 -1.420 -5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.566 1.130 -5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.489 0.762 -7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -18.474 0.174 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.561 0.359 -4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.347 2.739 -4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.764 2.662 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -20.086 1.915 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -19.669 1.992 -3.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -20.768 4.025 -4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -19.171 4.363 -4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -19.576 4.289 -5.891 1.00 0.00 H new ATOM 434 N LYS A 30 -15.973 -1.259 -8.390 1.00 0.00 N ATOM 435 CA LYS A 30 -16.358 -1.946 -9.655 1.00 0.00 C ATOM 436 C LYS A 30 -15.145 -2.675 -10.233 1.00 0.00 C ATOM 437 O LYS A 30 -15.079 -2.952 -11.414 1.00 0.00 O ATOM 438 CB LYS A 30 -16.858 -0.910 -10.665 1.00 0.00 C ATOM 439 CG LYS A 30 -18.061 -1.473 -11.426 1.00 0.00 C ATOM 440 CD LYS A 30 -19.336 -0.767 -10.960 1.00 0.00 C ATOM 441 CE LYS A 30 -19.658 0.385 -11.913 1.00 0.00 C ATOM 442 NZ LYS A 30 -19.806 1.647 -11.135 1.00 0.00 N ATOM 0 H LYS A 30 -15.389 -0.431 -8.506 1.00 0.00 H new ATOM 0 HA LYS A 30 -17.149 -2.667 -9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -17.138 0.009 -10.150 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -16.061 -0.654 -11.363 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.925 -1.331 -12.498 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -18.143 -2.546 -11.254 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -20.166 -1.473 -10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -19.205 -0.389 -9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.864 0.492 -12.652 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -20.577 0.173 -12.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -20.025 2.431 -11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -20.578 1.542 -10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.919 1.851 -10.632 1.00 0.00 H new ATOM 456 N ALA A 31 -14.182 -2.992 -9.409 1.00 0.00 N ATOM 457 CA ALA A 31 -12.976 -3.708 -9.914 1.00 0.00 C ATOM 458 C ALA A 31 -13.399 -5.037 -10.542 1.00 0.00 C ATOM 459 O ALA A 31 -12.961 -5.394 -11.618 1.00 0.00 O ATOM 460 CB ALA A 31 -12.016 -3.971 -8.754 1.00 0.00 C ATOM 0 H ALA A 31 -14.179 -2.786 -8.410 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.476 -3.096 -10.665 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.134 -4.495 -9.123 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.715 -3.023 -8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.513 -4.584 -8.002 1.00 0.00 H new ATOM 466 N GLY A 32 -14.250 -5.773 -9.880 1.00 0.00 N ATOM 467 CA GLY A 32 -14.702 -7.078 -10.441 1.00 0.00 C ATOM 468 C GLY A 32 -13.756 -8.190 -9.987 1.00 0.00 C ATOM 469 O GLY A 32 -13.935 -9.344 -10.321 1.00 0.00 O ATOM 0 H GLY A 32 -14.652 -5.527 -8.975 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.718 -7.294 -10.111 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.725 -7.028 -11.530 1.00 0.00 H new ATOM 473 N ARG A 33 -12.748 -7.856 -9.227 1.00 0.00 N ATOM 474 CA ARG A 33 -11.794 -8.898 -8.754 1.00 0.00 C ATOM 475 C ARG A 33 -12.134 -9.287 -7.315 1.00 0.00 C ATOM 476 O ARG A 33 -11.413 -8.970 -6.390 1.00 0.00 O ATOM 477 CB ARG A 33 -10.368 -8.348 -8.812 1.00 0.00 C ATOM 478 CG ARG A 33 -9.685 -8.830 -10.094 1.00 0.00 C ATOM 479 CD ARG A 33 -8.266 -9.302 -9.772 1.00 0.00 C ATOM 480 NE ARG A 33 -8.309 -10.711 -9.289 1.00 0.00 N ATOM 481 CZ ARG A 33 -8.320 -10.962 -8.009 1.00 0.00 C ATOM 482 NH1 ARG A 33 -7.373 -10.488 -7.243 1.00 0.00 N ATOM 483 NH2 ARG A 33 -9.274 -11.687 -7.492 1.00 0.00 N ATOM 0 H ARG A 33 -12.545 -6.907 -8.914 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.870 -9.777 -9.394 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.386 -7.258 -8.785 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.804 -8.679 -7.940 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.258 -9.644 -10.540 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.654 -8.024 -10.827 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.637 -9.229 -10.659 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.821 -8.659 -9.012 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.330 -11.479 -9.959 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.626 -9.922 -7.646 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.381 -10.684 -6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.013 -12.059 -8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.281 -11.882 -6.491 1.00 0.00 H new ATOM 497 N GLY A 34 -13.227 -9.970 -7.117 1.00 0.00 N ATOM 498 CA GLY A 34 -13.612 -10.381 -5.737 1.00 0.00 C ATOM 499 C GLY A 34 -14.798 -9.538 -5.266 1.00 0.00 C ATOM 500 O GLY A 34 -15.445 -9.941 -4.313 1.00 0.00 O ATOM 501 OXT GLY A 34 -15.038 -8.503 -5.865 1.00 0.00 O ATOM 0 H GLY A 34 -13.871 -10.262 -7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.875 -11.439 -5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.768 -10.252 -5.059 1.00 0.00 H new TER 505 GLY A 34