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+ 160:sc= -0.0117 (180deg=-0.482) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc=-0.00168 X(o=-0.0017,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 -62:sc= 0.351 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 180:sc= 0 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 5.314 -23.709 -16.931 1.00 0.00 N ATOM 2 CA MET A 1 6.314 -22.634 -17.189 1.00 0.00 C ATOM 3 C MET A 1 5.629 -21.268 -17.096 1.00 0.00 C ATOM 4 O MET A 1 5.360 -20.631 -18.095 1.00 0.00 O ATOM 5 CB MET A 1 6.908 -22.814 -18.587 1.00 0.00 C ATOM 6 CG MET A 1 5.780 -23.020 -19.599 1.00 0.00 C ATOM 7 SD MET A 1 6.418 -22.766 -21.273 1.00 0.00 S ATOM 8 CE MET A 1 5.405 -21.325 -21.686 1.00 0.00 C ATOM 0 H1 MET A 1 5.666 -24.610 -17.314 1.00 0.00 H new ATOM 0 H2 MET A 1 5.163 -23.804 -15.906 1.00 0.00 H new ATOM 0 H3 MET A 1 4.415 -23.464 -17.392 1.00 0.00 H new ATOM 0 HA MET A 1 7.110 -22.692 -16.447 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.498 -21.939 -18.858 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.583 -23.670 -18.599 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.370 -24.025 -19.503 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.966 -22.323 -19.399 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.639 -20.993 -22.698 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.350 -21.593 -21.627 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.614 -20.519 -20.982 1.00 0.00 H new ATOM 20 N GLY A 2 5.347 -20.815 -15.906 1.00 0.00 N ATOM 21 CA GLY A 2 4.680 -19.491 -15.752 1.00 0.00 C ATOM 22 C GLY A 2 3.290 -19.543 -16.386 1.00 0.00 C ATOM 23 O GLY A 2 2.993 -20.407 -17.187 1.00 0.00 O ATOM 0 H GLY A 2 5.549 -21.304 -15.034 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.600 -19.233 -14.696 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.279 -18.713 -16.226 1.00 0.00 H new ATOM 27 N LYS A 3 2.432 -18.624 -16.034 1.00 0.00 N ATOM 28 CA LYS A 3 1.062 -18.622 -16.620 1.00 0.00 C ATOM 29 C LYS A 3 0.706 -17.209 -17.085 1.00 0.00 C ATOM 30 O LYS A 3 0.841 -16.875 -18.245 1.00 0.00 O ATOM 31 CB LYS A 3 0.057 -19.080 -15.562 1.00 0.00 C ATOM 32 CG LYS A 3 0.065 -20.607 -15.477 1.00 0.00 C ATOM 33 CD LYS A 3 -1.102 -21.077 -14.607 1.00 0.00 C ATOM 34 CE LYS A 3 -2.399 -21.017 -15.417 1.00 0.00 C ATOM 35 NZ LYS A 3 -3.560 -21.253 -14.514 1.00 0.00 N ATOM 0 H LYS A 3 2.621 -17.876 -15.367 1.00 0.00 H new ATOM 0 HA LYS A 3 1.030 -19.301 -17.472 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.312 -18.650 -14.593 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.942 -18.725 -15.816 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.015 -21.038 -16.475 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.009 -20.953 -15.056 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.924 -22.095 -14.260 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.185 -20.448 -13.721 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.493 -20.045 -15.901 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.381 -21.767 -16.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.442 -21.212 -15.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.471 -22.190 -14.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.579 -20.522 -13.775 1.00 0.00 H new ATOM 49 N ALA A 4 0.253 -16.375 -16.189 1.00 0.00 N ATOM 50 CA ALA A 4 -0.111 -14.985 -16.584 1.00 0.00 C ATOM 51 C ALA A 4 0.831 -13.995 -15.895 1.00 0.00 C ATOM 52 O ALA A 4 0.437 -12.907 -15.524 1.00 0.00 O ATOM 53 CB ALA A 4 -1.553 -14.696 -16.161 1.00 0.00 C ATOM 0 H ALA A 4 0.119 -16.596 -15.202 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.021 -14.879 -17.665 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.820 -13.679 -16.450 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.224 -15.401 -16.652 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.643 -14.802 -15.080 1.00 0.00 H new ATOM 59 N GLU A 5 2.072 -14.359 -15.725 1.00 0.00 N ATOM 60 CA GLU A 5 3.034 -13.434 -15.063 1.00 0.00 C ATOM 61 C GLU A 5 3.211 -12.183 -15.926 1.00 0.00 C ATOM 62 O GLU A 5 2.956 -11.077 -15.493 1.00 0.00 O ATOM 63 CB GLU A 5 4.384 -14.135 -14.896 1.00 0.00 C ATOM 64 CG GLU A 5 4.598 -14.489 -13.423 1.00 0.00 C ATOM 65 CD GLU A 5 6.086 -14.733 -13.167 1.00 0.00 C ATOM 66 OE1 GLU A 5 6.892 -14.067 -13.795 1.00 0.00 O ATOM 67 OE2 GLU A 5 6.395 -15.582 -12.348 1.00 0.00 O ATOM 0 H GLU A 5 2.461 -15.256 -16.016 1.00 0.00 H new ATOM 0 HA GLU A 5 2.650 -13.149 -14.083 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.415 -15.038 -15.506 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.188 -13.487 -15.245 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.237 -13.680 -12.788 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.023 -15.378 -13.165 1.00 0.00 H new ATOM 74 N ASN A 6 3.647 -12.350 -17.145 1.00 0.00 N ATOM 75 CA ASN A 6 3.841 -11.173 -18.037 1.00 0.00 C ATOM 76 C ASN A 6 2.486 -10.513 -18.310 1.00 0.00 C ATOM 77 O ASN A 6 2.411 -9.370 -18.713 1.00 0.00 O ATOM 78 CB ASN A 6 4.463 -11.630 -19.358 1.00 0.00 C ATOM 79 CG ASN A 6 5.245 -10.472 -19.982 1.00 0.00 C ATOM 80 OD1 ASN A 6 6.450 -10.394 -19.849 1.00 0.00 O ATOM 81 ND2 ASN A 6 4.605 -9.563 -20.666 1.00 0.00 N ATOM 0 H ASN A 6 3.877 -13.252 -17.562 1.00 0.00 H new ATOM 0 HA ASN A 6 4.504 -10.455 -17.554 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.125 -12.479 -19.186 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.684 -11.967 -20.042 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.117 -8.788 -21.088 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.593 -9.628 -20.778 1.00 0.00 H new ATOM 88 N TYR A 7 1.416 -11.227 -18.092 1.00 0.00 N ATOM 89 CA TYR A 7 0.065 -10.645 -18.337 1.00 0.00 C ATOM 90 C TYR A 7 -0.205 -9.542 -17.307 1.00 0.00 C ATOM 91 O TYR A 7 -0.244 -8.372 -17.633 1.00 0.00 O ATOM 92 CB TYR A 7 -0.991 -11.751 -18.212 1.00 0.00 C ATOM 93 CG TYR A 7 -2.355 -11.144 -17.973 1.00 0.00 C ATOM 94 CD1 TYR A 7 -2.948 -10.340 -18.956 1.00 0.00 C ATOM 95 CD2 TYR A 7 -3.026 -11.382 -16.767 1.00 0.00 C ATOM 96 CE1 TYR A 7 -4.210 -9.776 -18.732 1.00 0.00 C ATOM 97 CE2 TYR A 7 -4.287 -10.819 -16.543 1.00 0.00 C ATOM 98 CZ TYR A 7 -4.879 -10.016 -17.526 1.00 0.00 C ATOM 99 OH TYR A 7 -6.123 -9.460 -17.305 1.00 0.00 O ATOM 0 H TYR A 7 1.418 -12.190 -17.754 1.00 0.00 H new ATOM 0 HA TYR A 7 0.020 -10.217 -19.339 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.007 -12.353 -19.120 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.733 -12.419 -17.391 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.432 -10.155 -19.886 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.569 -12.001 -16.009 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.667 -9.156 -19.489 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.804 -11.003 -15.613 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.448 -9.727 -16.420 1.00 0.00 H new ATOM 109 N GLU A 8 -0.399 -9.908 -16.071 1.00 0.00 N ATOM 110 CA GLU A 8 -0.673 -8.883 -15.023 1.00 0.00 C ATOM 111 C GLU A 8 0.476 -7.873 -14.976 1.00 0.00 C ATOM 112 O GLU A 8 0.263 -6.687 -14.824 1.00 0.00 O ATOM 113 CB GLU A 8 -0.803 -9.572 -13.663 1.00 0.00 C ATOM 114 CG GLU A 8 -2.139 -9.190 -13.023 1.00 0.00 C ATOM 115 CD GLU A 8 -2.563 -10.278 -12.034 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.168 -10.191 -10.883 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.276 -11.178 -12.446 1.00 0.00 O ATOM 0 H GLU A 8 -0.380 -10.873 -15.740 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.600 -8.361 -15.260 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.742 -10.654 -13.784 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.021 -9.277 -13.014 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.047 -8.233 -12.509 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.901 -9.067 -13.793 1.00 0.00 H new ATOM 124 N LEU A 9 1.690 -8.333 -15.100 1.00 0.00 N ATOM 125 CA LEU A 9 2.848 -7.395 -15.059 1.00 0.00 C ATOM 126 C LEU A 9 2.801 -6.466 -16.274 1.00 0.00 C ATOM 127 O LEU A 9 3.336 -5.375 -16.254 1.00 0.00 O ATOM 128 CB LEU A 9 4.150 -8.197 -15.082 1.00 0.00 C ATOM 129 CG LEU A 9 4.794 -8.165 -13.696 1.00 0.00 C ATOM 130 CD1 LEU A 9 4.066 -9.141 -12.769 1.00 0.00 C ATOM 131 CD2 LEU A 9 6.264 -8.574 -13.807 1.00 0.00 C ATOM 0 H LEU A 9 1.931 -9.316 -15.228 1.00 0.00 H new ATOM 0 HA LEU A 9 2.800 -6.799 -14.147 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.950 -9.227 -15.378 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.833 -7.780 -15.822 1.00 0.00 H new ATOM 0 HG LEU A 9 4.724 -7.156 -13.289 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.526 -9.117 -11.781 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.018 -8.853 -12.688 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.134 -10.150 -13.177 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.724 -8.551 -12.819 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.331 -9.582 -14.215 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.786 -7.880 -14.466 1.00 0.00 H new ATOM 143 N TYR A 10 2.169 -6.891 -17.334 1.00 0.00 N ATOM 144 CA TYR A 10 2.092 -6.034 -18.549 1.00 0.00 C ATOM 145 C TYR A 10 1.187 -4.829 -18.275 1.00 0.00 C ATOM 146 O TYR A 10 1.472 -3.722 -18.683 1.00 0.00 O ATOM 147 CB TYR A 10 1.521 -6.849 -19.710 1.00 0.00 C ATOM 148 CG TYR A 10 1.334 -5.956 -20.913 1.00 0.00 C ATOM 149 CD1 TYR A 10 2.450 -5.471 -21.606 1.00 0.00 C ATOM 150 CD2 TYR A 10 0.044 -5.616 -21.338 1.00 0.00 C ATOM 151 CE1 TYR A 10 2.276 -4.645 -22.723 1.00 0.00 C ATOM 152 CE2 TYR A 10 -0.129 -4.791 -22.454 1.00 0.00 C ATOM 153 CZ TYR A 10 0.986 -4.305 -23.148 1.00 0.00 C ATOM 154 OH TYR A 10 0.813 -3.491 -24.248 1.00 0.00 O ATOM 0 H TYR A 10 1.703 -7.795 -17.410 1.00 0.00 H new ATOM 0 HA TYR A 10 3.091 -5.682 -18.807 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.193 -7.671 -19.956 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.568 -7.292 -19.422 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.445 -5.734 -21.279 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.817 -5.991 -20.804 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.137 -4.270 -23.257 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.124 -4.528 -22.781 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.144 -3.355 -24.407 1.00 0.00 H new ATOM 164 N GLN A 11 0.096 -5.037 -17.587 1.00 0.00 N ATOM 165 CA GLN A 11 -0.823 -3.901 -17.290 1.00 0.00 C ATOM 166 C GLN A 11 -0.136 -2.923 -16.336 1.00 0.00 C ATOM 167 O GLN A 11 -0.043 -1.742 -16.603 1.00 0.00 O ATOM 168 CB GLN A 11 -2.102 -4.432 -16.638 1.00 0.00 C ATOM 169 CG GLN A 11 -2.716 -5.517 -17.525 1.00 0.00 C ATOM 170 CD GLN A 11 -4.170 -5.159 -17.837 1.00 0.00 C ATOM 171 OE1 GLN A 11 -5.044 -5.338 -17.012 1.00 0.00 O ATOM 172 NE2 GLN A 11 -4.469 -4.654 -19.003 1.00 0.00 N ATOM 0 H GLN A 11 -0.198 -5.942 -17.219 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.074 -3.389 -18.219 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.878 -4.838 -15.651 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.814 -3.619 -16.494 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.147 -5.611 -18.450 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.668 -6.483 -17.022 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.736 -4.503 -19.696 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.435 -4.410 -19.221 1.00 0.00 H new ATOM 181 N VAL A 12 0.344 -3.404 -15.221 1.00 0.00 N ATOM 182 CA VAL A 12 1.020 -2.499 -14.249 1.00 0.00 C ATOM 183 C VAL A 12 2.192 -1.792 -14.932 1.00 0.00 C ATOM 184 O VAL A 12 2.668 -0.774 -14.471 1.00 0.00 O ATOM 185 CB VAL A 12 1.540 -3.319 -13.069 1.00 0.00 C ATOM 186 CG1 VAL A 12 2.736 -4.163 -13.519 1.00 0.00 C ATOM 187 CG2 VAL A 12 1.979 -2.376 -11.946 1.00 0.00 C ATOM 0 H VAL A 12 0.297 -4.384 -14.942 1.00 0.00 H new ATOM 0 HA VAL A 12 0.308 -1.755 -13.893 1.00 0.00 H new ATOM 0 HB VAL A 12 0.748 -3.974 -12.707 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.106 -4.748 -12.677 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.426 -4.835 -14.319 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.528 -3.508 -13.882 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.350 -2.961 -11.104 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.771 -1.721 -12.310 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.129 -1.774 -11.623 1.00 0.00 H new ATOM 197 N GLU A 13 2.665 -2.323 -16.027 1.00 0.00 N ATOM 198 CA GLU A 13 3.807 -1.680 -16.734 1.00 0.00 C ATOM 199 C GLU A 13 3.290 -0.551 -17.628 1.00 0.00 C ATOM 200 O GLU A 13 3.873 0.512 -17.702 1.00 0.00 O ATOM 201 CB GLU A 13 4.526 -2.721 -17.594 1.00 0.00 C ATOM 202 CG GLU A 13 5.978 -2.287 -17.816 1.00 0.00 C ATOM 203 CD GLU A 13 6.751 -3.420 -18.491 1.00 0.00 C ATOM 204 OE1 GLU A 13 6.117 -4.364 -18.933 1.00 0.00 O ATOM 205 OE2 GLU A 13 7.966 -3.325 -18.554 1.00 0.00 O ATOM 0 H GLU A 13 2.309 -3.174 -16.462 1.00 0.00 H new ATOM 0 HA GLU A 13 4.501 -1.271 -16.000 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.497 -3.695 -17.105 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.018 -2.830 -18.552 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.010 -1.391 -18.436 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.442 -2.033 -16.863 1.00 0.00 H new ATOM 212 N LEU A 14 2.199 -0.774 -18.310 1.00 0.00 N ATOM 213 CA LEU A 14 1.649 0.290 -19.199 1.00 0.00 C ATOM 214 C LEU A 14 0.727 1.208 -18.391 1.00 0.00 C ATOM 215 O LEU A 14 0.149 2.139 -18.917 1.00 0.00 O ATOM 216 CB LEU A 14 0.858 -0.357 -20.338 1.00 0.00 C ATOM 217 CG LEU A 14 -0.462 -0.910 -19.798 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.568 0.129 -19.995 1.00 0.00 C ATOM 219 CD2 LEU A 14 -0.825 -2.189 -20.553 1.00 0.00 C ATOM 0 H LEU A 14 1.666 -1.644 -18.290 1.00 0.00 H new ATOM 0 HA LEU A 14 2.469 0.877 -19.613 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.663 0.376 -21.121 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.442 -1.159 -20.790 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.356 -1.132 -18.736 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.509 -0.264 -19.611 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.310 1.042 -19.458 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.674 0.350 -21.057 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.766 -2.584 -20.169 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.931 -1.967 -21.615 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.037 -2.929 -20.414 1.00 0.00 H new ATOM 231 N GLY A 15 0.585 0.957 -17.119 1.00 0.00 N ATOM 232 CA GLY A 15 -0.299 1.818 -16.284 1.00 0.00 C ATOM 233 C GLY A 15 0.559 2.739 -15.413 1.00 0.00 C ATOM 234 O GLY A 15 1.755 2.840 -15.612 1.00 0.00 O ATOM 0 H GLY A 15 1.043 0.193 -16.622 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.955 2.410 -16.922 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.939 1.199 -15.656 1.00 0.00 H new ATOM 238 N PRO A 16 -0.079 3.384 -14.471 1.00 0.00 N ATOM 239 CA PRO A 16 0.597 4.310 -13.545 1.00 0.00 C ATOM 240 C PRO A 16 1.339 3.529 -12.456 1.00 0.00 C ATOM 241 O PRO A 16 2.463 3.839 -12.114 1.00 0.00 O ATOM 242 CB PRO A 16 -0.554 5.123 -12.947 1.00 0.00 C ATOM 243 CG PRO A 16 -1.830 4.263 -13.117 1.00 0.00 C ATOM 244 CD PRO A 16 -1.533 3.251 -14.239 1.00 0.00 C ATOM 0 HA PRO A 16 1.345 4.935 -14.032 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.370 5.341 -11.895 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.660 6.080 -13.457 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.078 3.750 -12.188 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.686 4.887 -13.375 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.798 2.237 -13.941 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.103 3.477 -15.140 1.00 0.00 H new ATOM 252 N GLY A 17 0.720 2.519 -11.911 1.00 0.00 N ATOM 253 CA GLY A 17 1.391 1.722 -10.844 1.00 0.00 C ATOM 254 C GLY A 17 0.607 1.852 -9.536 1.00 0.00 C ATOM 255 O GLY A 17 -0.310 2.643 -9.442 1.00 0.00 O ATOM 0 H GLY A 17 -0.221 2.211 -12.157 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.451 0.675 -11.141 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.414 2.072 -10.703 1.00 0.00 H new ATOM 259 N PRO A 18 0.996 1.067 -8.564 1.00 0.00 N ATOM 260 CA PRO A 18 0.352 1.062 -7.237 1.00 0.00 C ATOM 261 C PRO A 18 0.829 2.257 -6.404 1.00 0.00 C ATOM 262 O PRO A 18 1.542 2.102 -5.432 1.00 0.00 O ATOM 263 CB PRO A 18 0.817 -0.258 -6.618 1.00 0.00 C ATOM 264 CG PRO A 18 2.118 -0.654 -7.358 1.00 0.00 C ATOM 265 CD PRO A 18 2.112 0.108 -8.696 1.00 0.00 C ATOM 0 HA PRO A 18 -0.734 1.144 -7.287 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.998 -0.143 -5.549 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.056 -1.030 -6.731 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.995 -0.392 -6.767 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.156 -1.730 -7.525 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.059 0.620 -8.866 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.959 -0.567 -9.538 1.00 0.00 H new ATOM 273 N SER A 19 0.439 3.445 -6.775 1.00 0.00 N ATOM 274 CA SER A 19 0.865 4.649 -6.006 1.00 0.00 C ATOM 275 C SER A 19 -0.178 5.754 -6.188 1.00 0.00 C ATOM 276 O SER A 19 0.119 6.831 -6.665 1.00 0.00 O ATOM 277 CB SER A 19 2.220 5.134 -6.524 1.00 0.00 C ATOM 278 OG SER A 19 2.632 6.266 -5.769 1.00 0.00 O ATOM 0 H SER A 19 -0.158 3.635 -7.580 1.00 0.00 H new ATOM 0 HA SER A 19 0.953 4.398 -4.949 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.960 4.338 -6.442 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.147 5.393 -7.580 1.00 0.00 H new ATOM 0 HG SER A 19 1.985 6.992 -5.888 1.00 0.00 H new ATOM 284 N GLY A 20 -1.401 5.491 -5.817 1.00 0.00 N ATOM 285 CA GLY A 20 -2.468 6.519 -5.972 1.00 0.00 C ATOM 286 C GLY A 20 -3.600 5.940 -6.824 1.00 0.00 C ATOM 287 O GLY A 20 -4.751 6.285 -6.663 1.00 0.00 O ATOM 0 H GLY A 20 -1.708 4.606 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.848 6.818 -4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.062 7.414 -6.443 1.00 0.00 H new ATOM 291 N ASP A 21 -3.275 5.054 -7.725 1.00 0.00 N ATOM 292 CA ASP A 21 -4.321 4.437 -8.585 1.00 0.00 C ATOM 293 C ASP A 21 -5.292 5.510 -9.086 1.00 0.00 C ATOM 294 O ASP A 21 -6.429 5.224 -9.409 1.00 0.00 O ATOM 295 CB ASP A 21 -5.078 3.397 -7.764 1.00 0.00 C ATOM 296 CG ASP A 21 -6.189 2.778 -8.614 1.00 0.00 C ATOM 297 OD1 ASP A 21 -6.021 2.720 -9.822 1.00 0.00 O ATOM 298 OD2 ASP A 21 -7.187 2.369 -8.044 1.00 0.00 O ATOM 0 H ASP A 21 -2.324 4.730 -7.902 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.854 3.962 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.393 2.621 -7.422 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.503 3.861 -6.874 1.00 0.00 H new ATOM 303 N MET A 22 -4.852 6.739 -9.163 1.00 0.00 N ATOM 304 CA MET A 22 -5.746 7.833 -9.652 1.00 0.00 C ATOM 305 C MET A 22 -7.158 7.638 -9.095 1.00 0.00 C ATOM 306 O MET A 22 -8.136 7.732 -9.812 1.00 0.00 O ATOM 307 CB MET A 22 -5.794 7.805 -11.181 1.00 0.00 C ATOM 308 CG MET A 22 -6.105 9.207 -11.707 1.00 0.00 C ATOM 309 SD MET A 22 -7.457 9.117 -12.908 1.00 0.00 S ATOM 310 CE MET A 22 -6.435 8.905 -14.387 1.00 0.00 C ATOM 0 H MET A 22 -3.909 7.034 -8.908 1.00 0.00 H new ATOM 0 HA MET A 22 -5.356 8.793 -9.315 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.840 7.459 -11.579 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.555 7.101 -11.519 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.381 9.863 -10.882 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.218 9.637 -12.173 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.077 8.826 -15.265 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.773 9.764 -14.498 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.839 7.997 -14.291 1.00 0.00 H new ATOM 320 N ALA A 23 -7.274 7.369 -7.824 1.00 0.00 N ATOM 321 CA ALA A 23 -8.622 7.167 -7.221 1.00 0.00 C ATOM 322 C ALA A 23 -8.473 6.467 -5.870 1.00 0.00 C ATOM 323 O ALA A 23 -9.237 6.697 -4.955 1.00 0.00 O ATOM 324 CB ALA A 23 -9.476 6.304 -8.153 1.00 0.00 C ATOM 0 H ALA A 23 -6.492 7.280 -7.175 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.106 8.133 -7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.462 6.157 -7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.581 6.803 -9.116 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.994 5.337 -8.296 1.00 0.00 H new ATOM 330 N ALA A 24 -7.493 5.615 -5.738 1.00 0.00 N ATOM 331 CA ALA A 24 -7.295 4.902 -4.444 1.00 0.00 C ATOM 332 C ALA A 24 -7.448 5.896 -3.292 1.00 0.00 C ATOM 333 O ALA A 24 -7.883 5.549 -2.212 1.00 0.00 O ATOM 334 CB ALA A 24 -5.893 4.291 -4.408 1.00 0.00 C ATOM 0 H ALA A 24 -6.821 5.382 -6.470 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.038 4.110 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.748 3.769 -3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.782 3.586 -5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.149 5.082 -4.505 1.00 0.00 H new ATOM 340 N LYS A 25 -7.094 7.132 -3.514 1.00 0.00 N ATOM 341 CA LYS A 25 -7.219 8.150 -2.433 1.00 0.00 C ATOM 342 C LYS A 25 -8.694 8.513 -2.248 1.00 0.00 C ATOM 343 O LYS A 25 -9.187 8.597 -1.140 1.00 0.00 O ATOM 344 CB LYS A 25 -6.429 9.402 -2.820 1.00 0.00 C ATOM 345 CG LYS A 25 -6.565 10.454 -1.718 1.00 0.00 C ATOM 346 CD LYS A 25 -5.269 10.515 -0.908 1.00 0.00 C ATOM 347 CE LYS A 25 -5.600 10.760 0.566 1.00 0.00 C ATOM 348 NZ LYS A 25 -4.576 11.663 1.161 1.00 0.00 N ATOM 0 H LYS A 25 -6.723 7.481 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.824 7.745 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.379 9.150 -2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.799 9.800 -3.765 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.779 11.429 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.403 10.207 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.715 9.583 -1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.629 11.312 -1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.591 11.205 0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.624 9.814 1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.800 11.830 2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.638 11.221 1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.574 12.569 0.651 1.00 0.00 H new ATOM 362 N MET A 26 -9.402 8.725 -3.323 1.00 0.00 N ATOM 363 CA MET A 26 -10.846 9.079 -3.207 1.00 0.00 C ATOM 364 C MET A 26 -11.580 7.968 -2.457 1.00 0.00 C ATOM 365 O MET A 26 -12.646 8.174 -1.911 1.00 0.00 O ATOM 366 CB MET A 26 -11.447 9.235 -4.605 1.00 0.00 C ATOM 367 CG MET A 26 -10.877 10.488 -5.271 1.00 0.00 C ATOM 368 SD MET A 26 -11.787 11.944 -4.695 1.00 0.00 S ATOM 369 CE MET A 26 -11.970 12.749 -6.306 1.00 0.00 C ATOM 0 H MET A 26 -9.044 8.669 -4.276 1.00 0.00 H new ATOM 0 HA MET A 26 -10.949 10.017 -2.662 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.222 8.356 -5.209 1.00 0.00 H new ATOM 0 HB3 MET A 26 -12.533 9.308 -4.539 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.818 10.590 -5.033 1.00 0.00 H new ATOM 0 HG3 MET A 26 -10.953 10.403 -6.355 1.00 0.00 H new ATOM 0 HE1 MET A 26 -12.514 13.686 -6.185 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.985 12.953 -6.725 1.00 0.00 H new ATOM 0 HE3 MET A 26 -12.522 12.093 -6.980 1.00 0.00 H new ATOM 379 N SER A 27 -11.019 6.791 -2.427 1.00 0.00 N ATOM 380 CA SER A 27 -11.684 5.665 -1.711 1.00 0.00 C ATOM 381 C SER A 27 -11.361 5.751 -0.218 1.00 0.00 C ATOM 382 O SER A 27 -12.236 5.692 0.621 1.00 0.00 O ATOM 383 CB SER A 27 -11.172 4.335 -2.266 1.00 0.00 C ATOM 384 OG SER A 27 -12.149 3.786 -3.141 1.00 0.00 O ATOM 0 H SER A 27 -10.129 6.560 -2.867 1.00 0.00 H new ATOM 0 HA SER A 27 -12.763 5.728 -1.855 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.233 4.487 -2.799 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.967 3.642 -1.450 1.00 0.00 H new ATOM 0 HG SER A 27 -11.824 2.934 -3.501 1.00 0.00 H new ATOM 390 N LYS A 28 -10.108 5.889 0.119 1.00 0.00 N ATOM 391 CA LYS A 28 -9.728 5.979 1.556 1.00 0.00 C ATOM 392 C LYS A 28 -10.466 7.151 2.204 1.00 0.00 C ATOM 393 O LYS A 28 -10.799 7.118 3.373 1.00 0.00 O ATOM 394 CB LYS A 28 -8.218 6.199 1.672 1.00 0.00 C ATOM 395 CG LYS A 28 -7.609 5.107 2.554 1.00 0.00 C ATOM 396 CD LYS A 28 -6.569 5.728 3.488 1.00 0.00 C ATOM 397 CE LYS A 28 -5.610 4.641 3.980 1.00 0.00 C ATOM 398 NZ LYS A 28 -4.204 5.110 3.824 1.00 0.00 N ATOM 0 H LYS A 28 -9.331 5.943 -0.540 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.999 5.053 2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.760 6.180 0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.015 7.181 2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.390 4.617 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.145 4.340 1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.015 6.507 2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.063 6.202 4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.813 4.408 5.025 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.763 3.723 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.553 4.371 4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.014 5.311 2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.063 5.975 4.383 1.00 0.00 H new ATOM 412 N LYS A 29 -10.725 8.188 1.455 1.00 0.00 N ATOM 413 CA LYS A 29 -11.444 9.360 2.029 1.00 0.00 C ATOM 414 C LYS A 29 -12.919 9.005 2.226 1.00 0.00 C ATOM 415 O LYS A 29 -13.584 9.534 3.095 1.00 0.00 O ATOM 416 CB LYS A 29 -11.329 10.549 1.072 1.00 0.00 C ATOM 417 CG LYS A 29 -9.865 10.978 0.963 1.00 0.00 C ATOM 418 CD LYS A 29 -9.789 12.393 0.384 1.00 0.00 C ATOM 419 CE LYS A 29 -9.834 13.413 1.523 1.00 0.00 C ATOM 420 NZ LYS A 29 -8.848 14.499 1.255 1.00 0.00 N ATOM 0 H LYS A 29 -10.470 8.274 0.471 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.001 9.623 2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.713 10.276 0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.936 11.379 1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.393 10.950 1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.318 10.283 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.870 12.514 -0.190 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.619 12.562 -0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.837 13.831 1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.606 12.926 2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.877 15.193 2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.893 14.093 1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.085 14.970 0.358 1.00 0.00 H new ATOM 434 N LYS A 30 -13.435 8.112 1.427 1.00 0.00 N ATOM 435 CA LYS A 30 -14.866 7.722 1.570 1.00 0.00 C ATOM 436 C LYS A 30 -15.211 6.665 0.519 1.00 0.00 C ATOM 437 O LYS A 30 -15.354 6.964 -0.650 1.00 0.00 O ATOM 438 CB LYS A 30 -15.753 8.952 1.366 1.00 0.00 C ATOM 439 CG LYS A 30 -16.916 8.914 2.358 1.00 0.00 C ATOM 440 CD LYS A 30 -18.238 8.817 1.595 1.00 0.00 C ATOM 441 CE LYS A 30 -18.635 10.203 1.084 1.00 0.00 C ATOM 442 NZ LYS A 30 -20.104 10.236 0.827 1.00 0.00 N ATOM 0 H LYS A 30 -12.928 7.636 0.681 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.035 7.314 2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.170 9.862 1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -16.133 8.974 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.808 8.061 3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.907 9.810 2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -18.138 8.125 0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -19.017 8.421 2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.366 10.963 1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.090 10.435 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -20.375 11.178 0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -20.348 9.520 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -20.615 10.032 1.709 1.00 0.00 H new ATOM 456 N ALA A 31 -15.345 5.432 0.925 1.00 0.00 N ATOM 457 CA ALA A 31 -15.678 4.360 -0.055 1.00 0.00 C ATOM 458 C ALA A 31 -16.626 3.348 0.593 1.00 0.00 C ATOM 459 O ALA A 31 -17.595 2.921 -0.005 1.00 0.00 O ATOM 460 CB ALA A 31 -14.394 3.650 -0.487 1.00 0.00 C ATOM 0 H ALA A 31 -15.239 5.121 1.891 1.00 0.00 H new ATOM 0 HA ALA A 31 -16.162 4.803 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.636 2.865 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.719 4.369 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.911 3.209 0.385 1.00 0.00 H new ATOM 466 N GLY A 32 -16.356 2.956 1.808 1.00 0.00 N ATOM 467 CA GLY A 32 -17.244 1.971 2.488 1.00 0.00 C ATOM 468 C GLY A 32 -17.542 2.441 3.912 1.00 0.00 C ATOM 469 O GLY A 32 -18.325 3.346 4.127 1.00 0.00 O ATOM 0 H GLY A 32 -15.559 3.275 2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -18.174 1.859 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -16.766 0.992 2.511 1.00 0.00 H new ATOM 473 N ARG A 33 -16.924 1.835 4.888 1.00 0.00 N ATOM 474 CA ARG A 33 -17.174 2.247 6.299 1.00 0.00 C ATOM 475 C ARG A 33 -15.889 2.823 6.897 1.00 0.00 C ATOM 476 O ARG A 33 -15.911 3.507 7.900 1.00 0.00 O ATOM 477 CB ARG A 33 -17.615 1.028 7.114 1.00 0.00 C ATOM 478 CG ARG A 33 -18.900 0.452 6.518 1.00 0.00 C ATOM 479 CD ARG A 33 -19.075 -0.997 6.981 1.00 0.00 C ATOM 480 NE ARG A 33 -20.443 -1.179 7.544 1.00 0.00 N ATOM 481 CZ ARG A 33 -20.624 -1.177 8.836 1.00 0.00 C ATOM 482 NH1 ARG A 33 -20.215 -0.165 9.551 1.00 0.00 N ATOM 483 NH2 ARG A 33 -21.216 -2.186 9.415 1.00 0.00 N ATOM 0 H ARG A 33 -16.257 1.073 4.770 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.957 3.005 6.324 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.830 0.272 7.111 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -17.780 1.313 8.153 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -19.757 1.050 6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -18.859 0.494 5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.921 -1.678 6.144 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -18.325 -1.242 7.733 1.00 0.00 H new ATOM 0 HE ARG A 33 -21.239 -1.305 6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -19.754 0.625 9.100 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -20.357 -0.164 10.561 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -21.538 -2.977 8.857 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -21.357 -2.183 10.425 1.00 0.00 H new ATOM 497 N GLY A 34 -14.766 2.555 6.286 1.00 0.00 N ATOM 498 CA GLY A 34 -13.481 3.088 6.821 1.00 0.00 C ATOM 499 C GLY A 34 -13.419 4.599 6.593 1.00 0.00 C ATOM 500 O GLY A 34 -14.091 5.314 7.315 1.00 0.00 O ATOM 501 OXT GLY A 34 -12.700 5.014 5.698 1.00 0.00 O ATOM 0 H GLY A 34 -14.684 1.991 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.399 2.867 7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.640 2.601 6.328 1.00 0.00 H new TER 505 GLY A 34