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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.0125 (180deg=-0.459) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 38:sc= 0.967 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 -38:sc= 0.117 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 -5.124 -23.522 -19.781 1.00 0.00 N ATOM 2 CA MET A 1 -4.922 -22.100 -19.387 1.00 0.00 C ATOM 3 C MET A 1 -3.463 -21.707 -19.627 1.00 0.00 C ATOM 4 O MET A 1 -2.661 -22.501 -20.078 1.00 0.00 O ATOM 5 CB MET A 1 -5.259 -21.929 -17.903 1.00 0.00 C ATOM 6 CG MET A 1 -4.525 -22.993 -17.086 1.00 0.00 C ATOM 7 SD MET A 1 -4.545 -22.532 -15.337 1.00 0.00 S ATOM 8 CE MET A 1 -2.802 -22.871 -14.991 1.00 0.00 C ATOM 0 H1 MET A 1 -5.864 -23.945 -19.186 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.414 -23.568 -20.779 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.235 -24.047 -19.654 1.00 0.00 H new ATOM 0 HA MET A 1 -5.573 -21.461 -19.984 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.970 -20.933 -17.566 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.335 -22.017 -17.751 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.001 -23.964 -17.222 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.497 -23.090 -17.436 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.589 -22.651 -13.945 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.589 -23.921 -15.191 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.176 -22.246 -15.628 1.00 0.00 H new ATOM 20 N GLY A 2 -3.111 -20.483 -19.331 1.00 0.00 N ATOM 21 CA GLY A 2 -1.703 -20.042 -19.543 1.00 0.00 C ATOM 22 C GLY A 2 -1.635 -18.515 -19.506 1.00 0.00 C ATOM 23 O GLY A 2 -2.645 -17.838 -19.504 1.00 0.00 O ATOM 0 H GLY A 2 -3.737 -19.772 -18.953 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.059 -20.464 -18.772 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.336 -20.410 -20.501 1.00 0.00 H new ATOM 27 N LYS A 3 -0.452 -17.964 -19.476 1.00 0.00 N ATOM 28 CA LYS A 3 -0.317 -16.487 -19.439 1.00 0.00 C ATOM 29 C LYS A 3 -0.815 -15.966 -18.094 1.00 0.00 C ATOM 30 O LYS A 3 -1.973 -16.098 -17.750 1.00 0.00 O ATOM 31 CB LYS A 3 -1.140 -15.867 -20.559 1.00 0.00 C ATOM 32 CG LYS A 3 -0.944 -16.668 -21.848 1.00 0.00 C ATOM 33 CD LYS A 3 0.532 -16.641 -22.245 1.00 0.00 C ATOM 34 CE LYS A 3 0.902 -15.244 -22.747 1.00 0.00 C ATOM 35 NZ LYS A 3 1.791 -15.363 -23.938 1.00 0.00 N ATOM 0 H LYS A 3 0.428 -18.479 -19.476 1.00 0.00 H new ATOM 0 HA LYS A 3 0.731 -16.217 -19.571 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.195 -15.855 -20.284 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.839 -14.831 -20.714 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.274 -17.697 -21.703 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.554 -16.247 -22.647 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.154 -16.908 -21.391 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.724 -17.381 -23.022 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.001 -14.689 -23.007 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.405 -14.684 -21.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.043 -14.413 -24.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.656 -15.877 -23.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.295 -15.882 -24.691 1.00 0.00 H new ATOM 49 N ALA A 4 0.056 -15.375 -17.334 1.00 0.00 N ATOM 50 CA ALA A 4 -0.353 -14.840 -16.004 1.00 0.00 C ATOM 51 C ALA A 4 0.777 -13.986 -15.424 1.00 0.00 C ATOM 52 O ALA A 4 0.541 -12.997 -14.760 1.00 0.00 O ATOM 53 CB ALA A 4 -0.650 -16.003 -15.056 1.00 0.00 C ATOM 0 H ALA A 4 1.038 -15.237 -17.574 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.247 -14.227 -16.120 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.949 -15.612 -14.083 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.457 -16.610 -15.467 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.244 -16.616 -14.941 1.00 0.00 H new ATOM 59 N GLU A 5 2.004 -14.359 -15.666 1.00 0.00 N ATOM 60 CA GLU A 5 3.144 -13.567 -15.125 1.00 0.00 C ATOM 61 C GLU A 5 3.275 -12.258 -15.909 1.00 0.00 C ATOM 62 O GLU A 5 3.038 -11.186 -15.389 1.00 0.00 O ATOM 63 CB GLU A 5 4.437 -14.373 -15.256 1.00 0.00 C ATOM 64 CG GLU A 5 5.637 -13.465 -14.984 1.00 0.00 C ATOM 65 CD GLU A 5 6.693 -14.236 -14.191 1.00 0.00 C ATOM 66 OE1 GLU A 5 6.505 -15.425 -13.993 1.00 0.00 O ATOM 67 OE2 GLU A 5 7.670 -13.624 -13.791 1.00 0.00 O ATOM 0 H GLU A 5 2.266 -15.178 -16.215 1.00 0.00 H new ATOM 0 HA GLU A 5 2.963 -13.344 -14.074 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.431 -15.206 -14.553 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.511 -14.801 -16.256 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.060 -13.112 -15.925 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.320 -12.584 -14.426 1.00 0.00 H new ATOM 74 N ASN A 6 3.651 -12.337 -17.157 1.00 0.00 N ATOM 75 CA ASN A 6 3.796 -11.096 -17.970 1.00 0.00 C ATOM 76 C ASN A 6 2.420 -10.458 -18.174 1.00 0.00 C ATOM 77 O ASN A 6 2.304 -9.270 -18.399 1.00 0.00 O ATOM 78 CB ASN A 6 4.403 -11.447 -19.331 1.00 0.00 C ATOM 79 CG ASN A 6 5.927 -11.329 -19.258 1.00 0.00 C ATOM 80 OD1 ASN A 6 6.607 -12.287 -18.948 1.00 0.00 O ATOM 81 ND2 ASN A 6 6.495 -10.187 -19.534 1.00 0.00 N ATOM 0 H ASN A 6 3.864 -13.206 -17.648 1.00 0.00 H new ATOM 0 HA ASN A 6 4.449 -10.394 -17.451 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.120 -12.460 -19.617 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.013 -10.778 -20.098 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.510 -10.098 -19.490 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.924 -9.383 -19.794 1.00 0.00 H new ATOM 88 N TYR A 7 1.378 -11.239 -18.097 1.00 0.00 N ATOM 89 CA TYR A 7 0.009 -10.681 -18.287 1.00 0.00 C ATOM 90 C TYR A 7 -0.234 -9.557 -17.276 1.00 0.00 C ATOM 91 O TYR A 7 -0.369 -8.404 -17.636 1.00 0.00 O ATOM 92 CB TYR A 7 -1.024 -11.793 -18.077 1.00 0.00 C ATOM 93 CG TYR A 7 -2.402 -11.191 -17.943 1.00 0.00 C ATOM 94 CD1 TYR A 7 -2.904 -10.358 -18.950 1.00 0.00 C ATOM 95 CD2 TYR A 7 -3.176 -11.462 -16.809 1.00 0.00 C ATOM 96 CE1 TYR A 7 -4.182 -9.798 -18.823 1.00 0.00 C ATOM 97 CE2 TYR A 7 -4.453 -10.902 -16.683 1.00 0.00 C ATOM 98 CZ TYR A 7 -4.956 -10.071 -17.690 1.00 0.00 C ATOM 99 OH TYR A 7 -6.214 -9.519 -17.565 1.00 0.00 O ATOM 0 H TYR A 7 1.415 -12.241 -17.910 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.084 -10.281 -19.297 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.000 -12.487 -18.917 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.779 -12.366 -17.183 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.306 -10.147 -19.824 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.788 -12.103 -16.031 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.570 -9.156 -19.600 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.050 -11.112 -15.808 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.617 -9.810 -16.720 1.00 0.00 H new ATOM 109 N GLU A 8 -0.294 -9.884 -16.014 1.00 0.00 N ATOM 110 CA GLU A 8 -0.533 -8.836 -14.982 1.00 0.00 C ATOM 111 C GLU A 8 0.642 -7.856 -14.971 1.00 0.00 C ATOM 112 O GLU A 8 0.468 -6.662 -14.829 1.00 0.00 O ATOM 113 CB GLU A 8 -0.662 -9.494 -13.607 1.00 0.00 C ATOM 114 CG GLU A 8 -2.142 -9.712 -13.281 1.00 0.00 C ATOM 115 CD GLU A 8 -2.407 -9.335 -11.822 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.461 -8.964 -11.146 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.549 -9.425 -11.406 1.00 0.00 O ATOM 0 H GLU A 8 -0.188 -10.832 -15.653 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.453 -8.299 -15.215 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.132 -10.447 -13.597 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.200 -8.865 -12.846 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.763 -9.108 -13.942 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.413 -10.754 -13.453 1.00 0.00 H new ATOM 124 N LEU A 9 1.841 -8.352 -15.116 1.00 0.00 N ATOM 125 CA LEU A 9 3.026 -7.450 -15.111 1.00 0.00 C ATOM 126 C LEU A 9 2.959 -6.505 -16.315 1.00 0.00 C ATOM 127 O LEU A 9 3.711 -5.556 -16.413 1.00 0.00 O ATOM 128 CB LEU A 9 4.304 -8.288 -15.193 1.00 0.00 C ATOM 129 CG LEU A 9 5.464 -7.513 -14.567 1.00 0.00 C ATOM 130 CD1 LEU A 9 6.059 -8.324 -13.415 1.00 0.00 C ATOM 131 CD2 LEU A 9 6.540 -7.265 -15.626 1.00 0.00 C ATOM 0 H LEU A 9 2.050 -9.343 -15.238 1.00 0.00 H new ATOM 0 HA LEU A 9 3.031 -6.865 -14.191 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.164 -9.236 -14.673 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.530 -8.525 -16.233 1.00 0.00 H new ATOM 0 HG LEU A 9 5.100 -6.558 -14.187 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.886 -7.771 -12.970 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.292 -8.501 -12.661 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.424 -9.279 -13.793 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.368 -6.713 -15.181 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.904 -8.220 -16.006 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.116 -6.686 -16.446 1.00 0.00 H new ATOM 143 N TYR A 10 2.067 -6.760 -17.232 1.00 0.00 N ATOM 144 CA TYR A 10 1.955 -5.880 -18.428 1.00 0.00 C ATOM 145 C TYR A 10 1.037 -4.696 -18.120 1.00 0.00 C ATOM 146 O TYR A 10 1.436 -3.551 -18.202 1.00 0.00 O ATOM 147 CB TYR A 10 1.373 -6.678 -19.596 1.00 0.00 C ATOM 148 CG TYR A 10 1.074 -5.742 -20.743 1.00 0.00 C ATOM 149 CD1 TYR A 10 2.090 -4.937 -21.271 1.00 0.00 C ATOM 150 CD2 TYR A 10 -0.218 -5.677 -21.276 1.00 0.00 C ATOM 151 CE1 TYR A 10 1.815 -4.067 -22.333 1.00 0.00 C ATOM 152 CE2 TYR A 10 -0.495 -4.807 -22.338 1.00 0.00 C ATOM 153 CZ TYR A 10 0.523 -4.003 -22.867 1.00 0.00 C ATOM 154 OH TYR A 10 0.250 -3.145 -23.913 1.00 0.00 O ATOM 0 H TYR A 10 1.411 -7.540 -17.204 1.00 0.00 H new ATOM 0 HA TYR A 10 2.946 -5.510 -18.692 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.078 -7.446 -19.913 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.463 -7.190 -19.283 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.087 -4.987 -20.859 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.002 -6.298 -20.868 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.599 -3.446 -22.740 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.493 -4.756 -22.749 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.694 -3.225 -24.164 1.00 0.00 H new ATOM 164 N GLN A 11 -0.194 -4.962 -17.776 1.00 0.00 N ATOM 165 CA GLN A 11 -1.141 -3.850 -17.474 1.00 0.00 C ATOM 166 C GLN A 11 -0.561 -2.954 -16.377 1.00 0.00 C ATOM 167 O GLN A 11 -0.939 -1.807 -16.238 1.00 0.00 O ATOM 168 CB GLN A 11 -2.477 -4.431 -17.003 1.00 0.00 C ATOM 169 CG GLN A 11 -2.222 -5.677 -16.153 1.00 0.00 C ATOM 170 CD GLN A 11 -3.359 -5.847 -15.144 1.00 0.00 C ATOM 171 OE1 GLN A 11 -4.254 -6.643 -15.346 1.00 0.00 O ATOM 172 NE2 GLN A 11 -3.362 -5.125 -14.057 1.00 0.00 N ATOM 0 H GLN A 11 -0.585 -5.900 -17.691 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.296 -3.258 -18.376 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.024 -3.688 -16.423 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.098 -4.685 -17.862 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.153 -6.558 -16.791 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.269 -5.586 -15.632 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.611 -4.456 -13.887 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.116 -5.229 -13.378 1.00 0.00 H new ATOM 181 N VAL A 12 0.352 -3.462 -15.595 1.00 0.00 N ATOM 182 CA VAL A 12 0.947 -2.629 -14.510 1.00 0.00 C ATOM 183 C VAL A 12 2.160 -1.869 -15.050 1.00 0.00 C ATOM 184 O VAL A 12 2.467 -0.779 -14.608 1.00 0.00 O ATOM 185 CB VAL A 12 1.383 -3.532 -13.355 1.00 0.00 C ATOM 186 CG1 VAL A 12 2.634 -4.314 -13.758 1.00 0.00 C ATOM 187 CG2 VAL A 12 1.694 -2.670 -12.129 1.00 0.00 C ATOM 0 H VAL A 12 0.711 -4.415 -15.659 1.00 0.00 H new ATOM 0 HA VAL A 12 0.204 -1.915 -14.154 1.00 0.00 H new ATOM 0 HB VAL A 12 0.581 -4.231 -13.118 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.943 -4.957 -12.933 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.414 -4.926 -14.633 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.438 -3.617 -13.996 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.005 -3.310 -11.304 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.496 -1.972 -12.369 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.803 -2.113 -11.840 1.00 0.00 H new ATOM 197 N GLU A 13 2.853 -2.433 -15.999 1.00 0.00 N ATOM 198 CA GLU A 13 4.047 -1.741 -16.562 1.00 0.00 C ATOM 199 C GLU A 13 3.609 -0.480 -17.311 1.00 0.00 C ATOM 200 O GLU A 13 4.335 0.490 -17.392 1.00 0.00 O ATOM 201 CB GLU A 13 4.773 -2.680 -17.526 1.00 0.00 C ATOM 202 CG GLU A 13 5.954 -1.945 -18.166 1.00 0.00 C ATOM 203 CD GLU A 13 7.092 -2.933 -18.423 1.00 0.00 C ATOM 204 OE1 GLU A 13 7.368 -3.733 -17.544 1.00 0.00 O ATOM 205 OE2 GLU A 13 7.670 -2.874 -19.497 1.00 0.00 O ATOM 0 H GLU A 13 2.645 -3.343 -16.410 1.00 0.00 H new ATOM 0 HA GLU A 13 4.718 -1.462 -15.749 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.126 -3.563 -16.993 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.086 -3.027 -18.298 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.643 -1.481 -19.102 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.295 -1.144 -17.511 1.00 0.00 H new ATOM 212 N LEU A 14 2.426 -0.486 -17.863 1.00 0.00 N ATOM 213 CA LEU A 14 1.945 0.712 -18.608 1.00 0.00 C ATOM 214 C LEU A 14 2.174 1.966 -17.764 1.00 0.00 C ATOM 215 O LEU A 14 2.338 3.053 -18.280 1.00 0.00 O ATOM 216 CB LEU A 14 0.449 0.568 -18.909 1.00 0.00 C ATOM 217 CG LEU A 14 0.137 -0.873 -19.329 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.240 -0.922 -19.991 1.00 0.00 C ATOM 219 CD2 LEU A 14 1.193 -1.360 -20.324 1.00 0.00 C ATOM 0 H LEU A 14 1.772 -1.268 -17.830 1.00 0.00 H new ATOM 0 HA LEU A 14 2.496 0.797 -19.545 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.135 0.834 -18.028 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.161 1.258 -19.702 1.00 0.00 H new ATOM 0 HG LEU A 14 0.145 -1.515 -18.448 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.464 -1.946 -20.290 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.996 -0.577 -19.285 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.244 -0.278 -20.870 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.968 -2.385 -20.621 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.187 -0.718 -21.205 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.177 -1.325 -19.856 1.00 0.00 H new ATOM 231 N GLY A 15 2.187 1.826 -16.466 1.00 0.00 N ATOM 232 CA GLY A 15 2.405 3.011 -15.591 1.00 0.00 C ATOM 233 C GLY A 15 3.795 3.594 -15.860 1.00 0.00 C ATOM 234 O GLY A 15 4.715 2.873 -16.190 1.00 0.00 O ATOM 0 H GLY A 15 2.056 0.942 -15.975 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.640 3.763 -15.782 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.315 2.724 -14.543 1.00 0.00 H new ATOM 238 N PRO A 16 3.904 4.890 -15.706 1.00 0.00 N ATOM 239 CA PRO A 16 5.171 5.610 -15.923 1.00 0.00 C ATOM 240 C PRO A 16 6.101 5.425 -14.720 1.00 0.00 C ATOM 241 O PRO A 16 6.989 4.596 -14.732 1.00 0.00 O ATOM 242 CB PRO A 16 4.735 7.071 -16.055 1.00 0.00 C ATOM 243 CG PRO A 16 3.359 7.182 -15.355 1.00 0.00 C ATOM 244 CD PRO A 16 2.777 5.756 -15.304 1.00 0.00 C ATOM 0 HA PRO A 16 5.724 5.255 -16.793 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.462 7.737 -15.590 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.662 7.361 -17.103 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.467 7.593 -14.351 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.697 7.852 -15.904 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.420 5.507 -14.305 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.930 5.647 -15.981 1.00 0.00 H new ATOM 252 N GLY A 17 5.901 6.189 -13.681 1.00 0.00 N ATOM 253 CA GLY A 17 6.771 6.057 -12.478 1.00 0.00 C ATOM 254 C GLY A 17 5.976 6.451 -11.231 1.00 0.00 C ATOM 255 O GLY A 17 4.778 6.257 -11.176 1.00 0.00 O ATOM 0 H GLY A 17 5.172 6.899 -13.613 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.130 5.032 -12.385 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.650 6.694 -12.579 1.00 0.00 H new ATOM 259 N PRO A 18 6.670 6.995 -10.264 1.00 0.00 N ATOM 260 CA PRO A 18 6.060 7.433 -8.997 1.00 0.00 C ATOM 261 C PRO A 18 5.357 8.782 -9.182 1.00 0.00 C ATOM 262 O PRO A 18 5.793 9.795 -8.671 1.00 0.00 O ATOM 263 CB PRO A 18 7.256 7.569 -8.051 1.00 0.00 C ATOM 264 CG PRO A 18 8.503 7.757 -8.948 1.00 0.00 C ATOM 265 CD PRO A 18 8.128 7.222 -10.344 1.00 0.00 C ATOM 0 HA PRO A 18 5.303 6.743 -8.624 1.00 0.00 H new ATOM 0 HB2 PRO A 18 7.127 8.420 -7.382 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.358 6.683 -7.424 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.788 8.808 -9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.357 7.215 -8.542 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.377 7.939 -11.126 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.663 6.301 -10.575 1.00 0.00 H new ATOM 273 N SER A 19 4.273 8.803 -9.909 1.00 0.00 N ATOM 274 CA SER A 19 3.545 10.084 -10.127 1.00 0.00 C ATOM 275 C SER A 19 2.131 9.790 -10.632 1.00 0.00 C ATOM 276 O SER A 19 1.708 10.297 -11.651 1.00 0.00 O ATOM 277 CB SER A 19 4.292 10.925 -11.164 1.00 0.00 C ATOM 278 OG SER A 19 5.219 11.775 -10.502 1.00 0.00 O ATOM 0 H SER A 19 3.860 7.987 -10.361 1.00 0.00 H new ATOM 0 HA SER A 19 3.487 10.632 -9.187 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.814 10.276 -11.867 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.586 11.520 -11.743 1.00 0.00 H new ATOM 0 HG SER A 19 5.614 11.299 -9.742 1.00 0.00 H new ATOM 284 N GLY A 20 1.398 8.970 -9.929 1.00 0.00 N ATOM 285 CA GLY A 20 0.013 8.645 -10.372 1.00 0.00 C ATOM 286 C GLY A 20 -0.444 7.346 -9.706 1.00 0.00 C ATOM 287 O GLY A 20 -1.613 7.149 -9.447 1.00 0.00 O ATOM 0 H GLY A 20 1.698 8.512 -9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.664 9.458 -10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.018 8.541 -11.457 1.00 0.00 H new ATOM 291 N ASP A 21 0.471 6.457 -9.427 1.00 0.00 N ATOM 292 CA ASP A 21 0.087 5.173 -8.778 1.00 0.00 C ATOM 293 C ASP A 21 0.603 5.155 -7.337 1.00 0.00 C ATOM 294 O ASP A 21 1.282 4.237 -6.923 1.00 0.00 O ATOM 295 CB ASP A 21 0.702 4.007 -9.552 1.00 0.00 C ATOM 296 CG ASP A 21 -0.411 3.147 -10.153 1.00 0.00 C ATOM 297 OD1 ASP A 21 -1.044 2.422 -9.403 1.00 0.00 O ATOM 298 OD2 ASP A 21 -0.613 3.227 -11.354 1.00 0.00 O ATOM 0 H ASP A 21 1.467 6.565 -9.621 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.999 5.077 -8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.351 4.384 -10.342 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.323 3.405 -8.889 1.00 0.00 H new ATOM 303 N MET A 22 0.287 6.163 -6.571 1.00 0.00 N ATOM 304 CA MET A 22 0.763 6.202 -5.159 1.00 0.00 C ATOM 305 C MET A 22 -0.154 5.339 -4.288 1.00 0.00 C ATOM 306 O MET A 22 0.081 4.162 -4.102 1.00 0.00 O ATOM 307 CB MET A 22 0.738 7.646 -4.652 1.00 0.00 C ATOM 308 CG MET A 22 1.071 7.668 -3.160 1.00 0.00 C ATOM 309 SD MET A 22 2.799 7.186 -2.920 1.00 0.00 S ATOM 310 CE MET A 22 2.633 6.585 -1.221 1.00 0.00 C ATOM 0 H MET A 22 -0.279 6.960 -6.861 1.00 0.00 H new ATOM 0 HA MET A 22 1.781 5.817 -5.108 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.458 8.249 -5.205 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.245 8.086 -4.823 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.901 8.665 -2.753 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.414 6.987 -2.620 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.600 6.231 -0.864 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.284 7.395 -0.581 1.00 0.00 H new ATOM 0 HE3 MET A 22 1.915 5.766 -1.193 1.00 0.00 H new ATOM 320 N ALA A 23 -1.197 5.915 -3.755 1.00 0.00 N ATOM 321 CA ALA A 23 -2.125 5.123 -2.898 1.00 0.00 C ATOM 322 C ALA A 23 -2.927 4.160 -3.776 1.00 0.00 C ATOM 323 O ALA A 23 -3.543 3.232 -3.293 1.00 0.00 O ATOM 324 CB ALA A 23 -3.084 6.070 -2.174 1.00 0.00 C ATOM 0 H ALA A 23 -1.446 6.897 -3.875 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.551 4.557 -2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.763 5.491 -1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.514 6.759 -1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.660 6.635 -2.907 1.00 0.00 H new ATOM 330 N ALA A 24 -2.923 4.374 -5.064 1.00 0.00 N ATOM 331 CA ALA A 24 -3.684 3.471 -5.973 1.00 0.00 C ATOM 332 C ALA A 24 -3.177 2.037 -5.802 1.00 0.00 C ATOM 333 O ALA A 24 -3.945 1.118 -5.605 1.00 0.00 O ATOM 334 CB ALA A 24 -3.479 3.917 -7.421 1.00 0.00 C ATOM 0 H ALA A 24 -2.425 5.135 -5.526 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.745 3.514 -5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.035 3.257 -8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.837 4.940 -7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.418 3.873 -7.669 1.00 0.00 H new ATOM 340 N LYS A 25 -1.890 1.841 -5.877 1.00 0.00 N ATOM 341 CA LYS A 25 -1.335 0.469 -5.717 1.00 0.00 C ATOM 342 C LYS A 25 -1.835 -0.130 -4.401 1.00 0.00 C ATOM 343 O LYS A 25 -2.027 -1.324 -4.284 1.00 0.00 O ATOM 344 CB LYS A 25 0.194 0.535 -5.701 1.00 0.00 C ATOM 345 CG LYS A 25 0.735 0.168 -7.083 1.00 0.00 C ATOM 346 CD LYS A 25 0.667 -1.349 -7.273 1.00 0.00 C ATOM 347 CE LYS A 25 1.725 -1.785 -8.287 1.00 0.00 C ATOM 348 NZ LYS A 25 1.856 -3.269 -8.259 1.00 0.00 N ATOM 0 H LYS A 25 -1.199 2.572 -6.042 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.661 -0.156 -6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.522 1.537 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.590 -0.149 -4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.153 0.668 -7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.764 0.512 -7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.832 -1.853 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.325 -1.638 -7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.445 -1.452 -9.287 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.683 -1.320 -8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.575 -3.567 -8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.141 -3.574 -7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.943 -3.703 -8.502 1.00 0.00 H new ATOM 362 N MET A 26 -2.049 0.691 -3.409 1.00 0.00 N ATOM 363 CA MET A 26 -2.538 0.169 -2.102 1.00 0.00 C ATOM 364 C MET A 26 -4.008 -0.233 -2.233 1.00 0.00 C ATOM 365 O MET A 26 -4.463 -1.170 -1.607 1.00 0.00 O ATOM 366 CB MET A 26 -2.403 1.259 -1.035 1.00 0.00 C ATOM 367 CG MET A 26 -1.051 1.122 -0.331 1.00 0.00 C ATOM 368 SD MET A 26 -1.315 0.644 1.394 1.00 0.00 S ATOM 369 CE MET A 26 0.354 0.022 1.715 1.00 0.00 C ATOM 0 H MET A 26 -1.906 1.700 -3.448 1.00 0.00 H new ATOM 0 HA MET A 26 -1.946 -0.700 -1.813 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.487 2.244 -1.494 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.212 1.175 -0.310 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.439 0.375 -0.837 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.507 2.065 -0.379 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.419 -0.332 2.744 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.573 -0.800 1.034 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.077 0.823 1.561 1.00 0.00 H new ATOM 379 N SER A 27 -4.753 0.465 -3.045 1.00 0.00 N ATOM 380 CA SER A 27 -6.193 0.124 -3.217 1.00 0.00 C ATOM 381 C SER A 27 -6.323 -1.125 -4.092 1.00 0.00 C ATOM 382 O SER A 27 -7.379 -1.721 -4.188 1.00 0.00 O ATOM 383 CB SER A 27 -6.916 1.293 -3.889 1.00 0.00 C ATOM 384 OG SER A 27 -8.320 1.082 -3.814 1.00 0.00 O ATOM 0 H SER A 27 -4.426 1.258 -3.597 1.00 0.00 H new ATOM 0 HA SER A 27 -6.639 -0.069 -2.241 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.651 2.230 -3.399 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.604 1.378 -4.930 1.00 0.00 H new ATOM 0 HG SER A 27 -8.515 0.130 -3.939 1.00 0.00 H new ATOM 390 N LYS A 28 -5.258 -1.528 -4.730 1.00 0.00 N ATOM 391 CA LYS A 28 -5.324 -2.739 -5.597 1.00 0.00 C ATOM 392 C LYS A 28 -5.132 -3.993 -4.739 1.00 0.00 C ATOM 393 O LYS A 28 -5.927 -4.911 -4.779 1.00 0.00 O ATOM 394 CB LYS A 28 -4.219 -2.670 -6.654 1.00 0.00 C ATOM 395 CG LYS A 28 -4.764 -2.008 -7.921 1.00 0.00 C ATOM 396 CD LYS A 28 -5.777 -2.941 -8.589 1.00 0.00 C ATOM 397 CE LYS A 28 -5.083 -3.738 -9.694 1.00 0.00 C ATOM 398 NZ LYS A 28 -5.825 -5.009 -9.929 1.00 0.00 N ATOM 0 H LYS A 28 -4.347 -1.072 -4.689 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.296 -2.781 -6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.370 -2.103 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.856 -3.672 -6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.237 -1.058 -7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.948 -1.788 -8.609 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.205 -3.619 -7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.601 -2.362 -9.006 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.045 -3.151 -10.612 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.053 -3.953 -9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.354 -5.552 -10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.839 -5.570 -9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.801 -4.793 -10.217 1.00 0.00 H new ATOM 412 N LYS A 29 -4.083 -4.039 -3.964 1.00 0.00 N ATOM 413 CA LYS A 29 -3.841 -5.234 -3.107 1.00 0.00 C ATOM 414 C LYS A 29 -5.029 -5.433 -2.163 1.00 0.00 C ATOM 415 O LYS A 29 -5.888 -6.262 -2.395 1.00 0.00 O ATOM 416 CB LYS A 29 -2.568 -5.024 -2.284 1.00 0.00 C ATOM 417 CG LYS A 29 -1.582 -6.155 -2.571 1.00 0.00 C ATOM 418 CD LYS A 29 -0.799 -5.839 -3.846 1.00 0.00 C ATOM 419 CE LYS A 29 0.370 -6.815 -3.985 1.00 0.00 C ATOM 420 NZ LYS A 29 1.638 -6.127 -3.611 1.00 0.00 N ATOM 0 H LYS A 29 -3.383 -3.301 -3.887 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.725 -6.115 -3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.117 -4.063 -2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.809 -4.999 -1.221 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.897 -6.276 -1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.117 -7.098 -2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.453 -5.913 -4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.429 -4.814 -3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.212 -7.682 -3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.431 -7.182 -5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.434 -6.790 -3.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.790 -5.313 -4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.577 -5.797 -2.626 1.00 0.00 H new ATOM 434 N LYS A 30 -5.087 -4.680 -1.100 1.00 0.00 N ATOM 435 CA LYS A 30 -6.219 -4.826 -0.142 1.00 0.00 C ATOM 436 C LYS A 30 -6.134 -3.726 0.919 1.00 0.00 C ATOM 437 O LYS A 30 -6.286 -3.976 2.098 1.00 0.00 O ATOM 438 CB LYS A 30 -6.144 -6.197 0.534 1.00 0.00 C ATOM 439 CG LYS A 30 -4.934 -6.246 1.470 1.00 0.00 C ATOM 440 CD LYS A 30 -5.382 -6.715 2.857 1.00 0.00 C ATOM 441 CE LYS A 30 -4.156 -7.088 3.691 1.00 0.00 C ATOM 442 NZ LYS A 30 -3.626 -5.870 4.367 1.00 0.00 N ATOM 0 H LYS A 30 -4.399 -3.969 -0.853 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.163 -4.739 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.058 -6.386 1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.065 -6.981 -0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.179 -6.924 1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.473 -5.261 1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.947 -5.926 3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.047 -7.574 2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.423 -7.841 4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.388 -7.526 3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.792 -6.123 4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.357 -5.165 3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.359 -5.471 4.988 1.00 0.00 H new ATOM 456 N ALA A 31 -5.891 -2.512 0.508 1.00 0.00 N ATOM 457 CA ALA A 31 -5.795 -1.396 1.491 1.00 0.00 C ATOM 458 C ALA A 31 -7.083 -1.329 2.315 1.00 0.00 C ATOM 459 O ALA A 31 -7.067 -1.460 3.523 1.00 0.00 O ATOM 460 CB ALA A 31 -5.597 -0.075 0.745 1.00 0.00 C ATOM 0 H ALA A 31 -5.755 -2.244 -0.467 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.948 -1.569 2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.527 0.742 1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.679 -0.122 0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.444 0.098 0.081 1.00 0.00 H new ATOM 466 N GLY A 32 -8.200 -1.123 1.671 1.00 0.00 N ATOM 467 CA GLY A 32 -9.488 -1.047 2.418 1.00 0.00 C ATOM 468 C GLY A 32 -10.342 -2.272 2.086 1.00 0.00 C ATOM 469 O GLY A 32 -11.535 -2.289 2.315 1.00 0.00 O ATOM 0 H GLY A 32 -8.276 -1.004 0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.297 -1.003 3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.022 -0.135 2.152 1.00 0.00 H new ATOM 473 N ARG A 33 -9.739 -3.297 1.547 1.00 0.00 N ATOM 474 CA ARG A 33 -10.518 -4.519 1.199 1.00 0.00 C ATOM 475 C ARG A 33 -11.548 -4.179 0.121 1.00 0.00 C ATOM 476 O ARG A 33 -12.619 -3.684 0.407 1.00 0.00 O ATOM 477 CB ARG A 33 -11.237 -5.039 2.447 1.00 0.00 C ATOM 478 CG ARG A 33 -11.423 -6.552 2.335 1.00 0.00 C ATOM 479 CD ARG A 33 -10.243 -7.264 2.998 1.00 0.00 C ATOM 480 NE ARG A 33 -10.286 -8.715 2.662 1.00 0.00 N ATOM 481 CZ ARG A 33 -11.412 -9.370 2.742 1.00 0.00 C ATOM 482 NH1 ARG A 33 -11.923 -9.648 3.912 1.00 0.00 N ATOM 483 NH2 ARG A 33 -12.028 -9.746 1.655 1.00 0.00 N ATOM 0 H ARG A 33 -8.743 -3.341 1.333 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.841 -5.286 0.824 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.659 -4.798 3.339 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.205 -4.550 2.552 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.356 -6.850 2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.494 -6.843 1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.304 -6.829 2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.283 -7.129 4.079 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.436 -9.196 2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.442 -9.353 4.762 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.803 -10.160 3.976 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.630 -9.528 0.742 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.908 -10.258 1.719 1.00 0.00 H new ATOM 497 N GLY A 34 -11.232 -4.440 -1.118 1.00 0.00 N ATOM 498 CA GLY A 34 -12.193 -4.132 -2.215 1.00 0.00 C ATOM 499 C GLY A 34 -12.595 -5.425 -2.923 1.00 0.00 C ATOM 500 O GLY A 34 -13.666 -5.931 -2.629 1.00 0.00 O ATOM 501 OXT GLY A 34 -11.825 -5.889 -3.749 1.00 0.00 O ATOM 0 H GLY A 34 -10.349 -4.854 -1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.076 -3.638 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.739 -3.442 -2.926 1.00 0.00 H new TER 505 GLY A 34