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+ 157:sc= 0.921 (180deg=0.501) 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= -0.0105 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=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 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 -0.443 -9.560 -25.410 1.00 0.00 N ATOM 2 CA MET A 1 -0.687 -11.002 -25.124 1.00 0.00 C ATOM 3 C MET A 1 0.002 -11.385 -23.812 1.00 0.00 C ATOM 4 O MET A 1 0.585 -10.557 -23.142 1.00 0.00 O ATOM 5 CB MET A 1 -0.121 -11.851 -26.262 1.00 0.00 C ATOM 6 CG MET A 1 -1.152 -11.945 -27.390 1.00 0.00 C ATOM 7 SD MET A 1 -1.084 -10.442 -28.397 1.00 0.00 S ATOM 8 CE MET A 1 -0.224 -11.161 -29.818 1.00 0.00 C ATOM 0 H1 MET A 1 -0.552 -9.385 -26.429 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.129 -8.981 -24.884 1.00 0.00 H new ATOM 0 H3 MET A 1 0.522 -9.306 -25.116 1.00 0.00 H new ATOM 0 HA MET A 1 -1.759 -11.178 -25.038 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.803 -11.409 -26.635 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.127 -12.848 -25.898 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.951 -12.819 -28.009 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.151 -12.072 -26.974 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.074 -10.395 -30.578 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.743 -11.551 -29.499 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.823 -11.972 -30.234 1.00 0.00 H new ATOM 20 N GLY A 2 -0.062 -12.633 -23.440 1.00 0.00 N ATOM 21 CA GLY A 2 0.590 -13.067 -22.173 1.00 0.00 C ATOM 22 C GLY A 2 -0.151 -14.277 -21.602 1.00 0.00 C ATOM 23 O GLY A 2 -0.664 -15.104 -22.329 1.00 0.00 O ATOM 0 H GLY A 2 -0.538 -13.371 -23.959 1.00 0.00 H new ATOM 0 HA2 GLY A 2 1.634 -13.321 -22.358 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.584 -12.250 -21.451 1.00 0.00 H new ATOM 27 N LYS A 3 -0.209 -14.385 -20.304 1.00 0.00 N ATOM 28 CA LYS A 3 -0.916 -15.541 -19.681 1.00 0.00 C ATOM 29 C LYS A 3 -1.294 -15.187 -18.241 1.00 0.00 C ATOM 30 O LYS A 3 -2.434 -15.307 -17.840 1.00 0.00 O ATOM 31 CB LYS A 3 0.009 -16.760 -19.678 1.00 0.00 C ATOM 32 CG LYS A 3 -0.424 -17.736 -20.775 1.00 0.00 C ATOM 33 CD LYS A 3 0.578 -18.887 -20.858 1.00 0.00 C ATOM 34 CE LYS A 3 0.787 -19.281 -22.321 1.00 0.00 C ATOM 35 NZ LYS A 3 1.785 -20.384 -22.401 1.00 0.00 N ATOM 0 H LYS A 3 0.203 -13.723 -19.646 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.817 -15.768 -20.250 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.040 -16.447 -19.842 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.024 -17.252 -18.706 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.420 -18.122 -20.560 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.482 -17.220 -21.733 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.527 -18.589 -20.412 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.213 -19.742 -20.289 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.158 -19.599 -22.762 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.133 -18.421 -22.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.927 -20.652 -23.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.688 -20.065 -21.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.437 -21.206 -21.867 1.00 0.00 H new ATOM 49 N ALA A 4 -0.342 -14.751 -17.463 1.00 0.00 N ATOM 50 CA ALA A 4 -0.636 -14.387 -16.049 1.00 0.00 C ATOM 51 C ALA A 4 0.589 -13.706 -15.442 1.00 0.00 C ATOM 52 O ALA A 4 0.511 -12.605 -14.930 1.00 0.00 O ATOM 53 CB ALA A 4 -0.964 -15.651 -15.253 1.00 0.00 C ATOM 0 H ALA A 4 0.630 -14.631 -17.747 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.488 -13.708 -16.015 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.179 -15.384 -14.218 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.834 -16.140 -15.690 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.113 -16.331 -15.283 1.00 0.00 H new ATOM 59 N GLU A 5 1.724 -14.348 -15.497 1.00 0.00 N ATOM 60 CA GLU A 5 2.957 -13.736 -14.927 1.00 0.00 C ATOM 61 C GLU A 5 3.307 -12.475 -15.721 1.00 0.00 C ATOM 62 O GLU A 5 3.483 -11.409 -15.166 1.00 0.00 O ATOM 63 CB GLU A 5 4.112 -14.736 -15.020 1.00 0.00 C ATOM 64 CG GLU A 5 4.544 -15.148 -13.612 1.00 0.00 C ATOM 65 CD GLU A 5 6.007 -14.759 -13.393 1.00 0.00 C ATOM 66 OE1 GLU A 5 6.869 -15.543 -13.760 1.00 0.00 O ATOM 67 OE2 GLU A 5 6.242 -13.686 -12.865 1.00 0.00 O ATOM 0 H GLU A 5 1.850 -15.271 -15.913 1.00 0.00 H new ATOM 0 HA GLU A 5 2.788 -13.475 -13.882 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.803 -15.613 -15.588 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.951 -14.290 -15.554 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.912 -14.661 -12.869 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.419 -16.223 -13.482 1.00 0.00 H new ATOM 74 N ASN A 6 3.401 -12.590 -17.018 1.00 0.00 N ATOM 75 CA ASN A 6 3.732 -11.399 -17.850 1.00 0.00 C ATOM 76 C ASN A 6 2.448 -10.620 -18.147 1.00 0.00 C ATOM 77 O ASN A 6 2.458 -9.413 -18.278 1.00 0.00 O ATOM 78 CB ASN A 6 4.367 -11.857 -19.166 1.00 0.00 C ATOM 79 CG ASN A 6 5.718 -11.163 -19.353 1.00 0.00 C ATOM 80 OD1 ASN A 6 5.780 -10.046 -19.826 1.00 0.00 O ATOM 81 ND2 ASN A 6 6.811 -11.782 -18.999 1.00 0.00 N ATOM 0 H ASN A 6 3.263 -13.457 -17.537 1.00 0.00 H new ATOM 0 HA ASN A 6 4.433 -10.760 -17.313 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.500 -12.939 -19.160 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.707 -11.622 -20.001 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.716 -11.328 -19.120 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.760 -12.720 -18.602 1.00 0.00 H new ATOM 88 N TYR A 7 1.344 -11.307 -18.251 1.00 0.00 N ATOM 89 CA TYR A 7 0.055 -10.616 -18.536 1.00 0.00 C ATOM 90 C TYR A 7 -0.185 -9.536 -17.478 1.00 0.00 C ATOM 91 O TYR A 7 -0.438 -8.390 -17.792 1.00 0.00 O ATOM 92 CB TYR A 7 -1.083 -11.645 -18.504 1.00 0.00 C ATOM 93 CG TYR A 7 -2.412 -10.946 -18.342 1.00 0.00 C ATOM 94 CD1 TYR A 7 -2.728 -9.847 -19.148 1.00 0.00 C ATOM 95 CD2 TYR A 7 -3.327 -11.398 -17.385 1.00 0.00 C ATOM 96 CE1 TYR A 7 -3.960 -9.198 -18.996 1.00 0.00 C ATOM 97 CE2 TYR A 7 -4.559 -10.750 -17.232 1.00 0.00 C ATOM 98 CZ TYR A 7 -4.875 -9.650 -18.037 1.00 0.00 C ATOM 99 OH TYR A 7 -6.089 -9.011 -17.888 1.00 0.00 O ATOM 0 H TYR A 7 1.279 -12.320 -18.151 1.00 0.00 H new ATOM 0 HA TYR A 7 0.091 -10.149 -19.520 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.081 -12.230 -19.424 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.929 -12.344 -17.682 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.022 -9.499 -19.887 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.083 -12.247 -16.764 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.204 -8.350 -19.618 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.265 -11.099 -16.493 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.606 -9.451 -17.181 1.00 0.00 H new ATOM 109 N GLU A 8 -0.114 -9.893 -16.226 1.00 0.00 N ATOM 110 CA GLU A 8 -0.342 -8.889 -15.147 1.00 0.00 C ATOM 111 C GLU A 8 0.803 -7.874 -15.138 1.00 0.00 C ATOM 112 O GLU A 8 0.589 -6.685 -15.007 1.00 0.00 O ATOM 113 CB GLU A 8 -0.399 -9.602 -13.796 1.00 0.00 C ATOM 114 CG GLU A 8 -1.678 -9.204 -13.060 1.00 0.00 C ATOM 115 CD GLU A 8 -1.569 -9.609 -11.589 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.121 -10.714 -11.331 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.932 -8.807 -10.746 1.00 0.00 O ATOM 0 H GLU A 8 0.092 -10.838 -15.902 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.283 -8.370 -15.328 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.372 -10.682 -13.942 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.474 -9.340 -13.198 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.837 -8.129 -13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.540 -9.689 -13.519 1.00 0.00 H new ATOM 124 N LEU A 9 2.018 -8.332 -15.271 1.00 0.00 N ATOM 125 CA LEU A 9 3.175 -7.392 -15.263 1.00 0.00 C ATOM 126 C LEU A 9 2.992 -6.337 -16.357 1.00 0.00 C ATOM 127 O LEU A 9 3.499 -5.236 -16.260 1.00 0.00 O ATOM 128 CB LEU A 9 4.467 -8.171 -15.517 1.00 0.00 C ATOM 129 CG LEU A 9 5.476 -7.865 -14.409 1.00 0.00 C ATOM 130 CD1 LEU A 9 6.233 -9.141 -14.040 1.00 0.00 C ATOM 131 CD2 LEU A 9 6.466 -6.808 -14.900 1.00 0.00 C ATOM 0 H LEU A 9 2.259 -9.316 -15.385 1.00 0.00 H new ATOM 0 HA LEU A 9 3.231 -6.899 -14.293 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.259 -9.240 -15.548 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.883 -7.899 -16.487 1.00 0.00 H new ATOM 0 HG LEU A 9 4.949 -7.490 -13.531 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.952 -8.922 -13.250 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.527 -9.894 -13.690 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.760 -9.518 -14.916 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.186 -6.589 -14.111 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.993 -7.183 -15.778 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.926 -5.898 -15.162 1.00 0.00 H new ATOM 143 N TYR A 10 2.277 -6.661 -17.398 1.00 0.00 N ATOM 144 CA TYR A 10 2.070 -5.673 -18.494 1.00 0.00 C ATOM 145 C TYR A 10 1.104 -4.582 -18.024 1.00 0.00 C ATOM 146 O TYR A 10 1.438 -3.414 -17.996 1.00 0.00 O ATOM 147 CB TYR A 10 1.483 -6.378 -19.717 1.00 0.00 C ATOM 148 CG TYR A 10 1.188 -5.359 -20.793 1.00 0.00 C ATOM 149 CD1 TYR A 10 2.237 -4.658 -21.399 1.00 0.00 C ATOM 150 CD2 TYR A 10 -0.134 -5.116 -21.182 1.00 0.00 C ATOM 151 CE1 TYR A 10 1.964 -3.713 -22.395 1.00 0.00 C ATOM 152 CE2 TYR A 10 -0.407 -4.170 -22.178 1.00 0.00 C ATOM 153 CZ TYR A 10 0.642 -3.469 -22.785 1.00 0.00 C ATOM 154 OH TYR A 10 0.372 -2.538 -23.768 1.00 0.00 O ATOM 0 H TYR A 10 1.827 -7.566 -17.538 1.00 0.00 H new ATOM 0 HA TYR A 10 3.027 -5.223 -18.759 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.184 -7.125 -20.091 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.570 -6.907 -19.442 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.257 -4.846 -21.098 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.943 -5.657 -20.715 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.773 -3.172 -22.863 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.427 -3.981 -22.478 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.595 -2.493 -23.919 1.00 0.00 H new ATOM 164 N GLN A 11 -0.091 -4.954 -17.657 1.00 0.00 N ATOM 165 CA GLN A 11 -1.080 -3.939 -17.192 1.00 0.00 C ATOM 166 C GLN A 11 -0.394 -2.942 -16.255 1.00 0.00 C ATOM 167 O GLN A 11 -0.479 -1.744 -16.439 1.00 0.00 O ATOM 168 CB GLN A 11 -2.218 -4.639 -16.448 1.00 0.00 C ATOM 169 CG GLN A 11 -3.080 -5.415 -17.446 1.00 0.00 C ATOM 170 CD GLN A 11 -4.292 -6.006 -16.724 1.00 0.00 C ATOM 171 OE1 GLN A 11 -5.420 -5.723 -17.072 1.00 0.00 O ATOM 172 NE2 GLN A 11 -4.105 -6.825 -15.723 1.00 0.00 N ATOM 0 H GLN A 11 -0.426 -5.917 -17.659 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.482 -3.406 -18.054 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.813 -5.317 -15.697 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.826 -3.905 -15.919 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.408 -4.755 -18.249 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.494 -6.211 -17.907 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.158 -7.064 -15.429 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.906 -7.226 -15.235 1.00 0.00 H new ATOM 181 N VAL A 12 0.284 -3.427 -15.250 1.00 0.00 N ATOM 182 CA VAL A 12 0.969 -2.501 -14.303 1.00 0.00 C ATOM 183 C VAL A 12 2.056 -1.721 -15.043 1.00 0.00 C ATOM 184 O VAL A 12 2.297 -0.561 -14.769 1.00 0.00 O ATOM 185 CB VAL A 12 1.605 -3.310 -13.170 1.00 0.00 C ATOM 186 CG1 VAL A 12 2.548 -4.360 -13.758 1.00 0.00 C ATOM 187 CG2 VAL A 12 2.394 -2.369 -12.256 1.00 0.00 C ATOM 0 H VAL A 12 0.393 -4.420 -15.044 1.00 0.00 H new ATOM 0 HA VAL A 12 0.241 -1.803 -13.890 1.00 0.00 H new ATOM 0 HB VAL A 12 0.824 -3.807 -12.595 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.000 -4.936 -12.951 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.986 -5.029 -14.410 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.330 -3.865 -14.333 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.848 -2.943 -11.448 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.175 -1.872 -12.832 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.721 -1.621 -11.836 1.00 0.00 H new ATOM 197 N GLU A 13 2.719 -2.346 -15.977 1.00 0.00 N ATOM 198 CA GLU A 13 3.791 -1.636 -16.731 1.00 0.00 C ATOM 199 C GLU A 13 3.196 -0.422 -17.450 1.00 0.00 C ATOM 200 O GLU A 13 3.884 0.534 -17.744 1.00 0.00 O ATOM 201 CB GLU A 13 4.405 -2.587 -17.761 1.00 0.00 C ATOM 202 CG GLU A 13 5.794 -2.082 -18.157 1.00 0.00 C ATOM 203 CD GLU A 13 5.898 -2.018 -19.682 1.00 0.00 C ATOM 204 OE1 GLU A 13 5.124 -1.287 -20.278 1.00 0.00 O ATOM 205 OE2 GLU A 13 6.748 -2.701 -20.227 1.00 0.00 O ATOM 0 H GLU A 13 2.565 -3.317 -16.251 1.00 0.00 H new ATOM 0 HA GLU A 13 4.562 -1.303 -16.036 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.476 -3.592 -17.346 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.765 -2.650 -18.641 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.970 -1.095 -17.728 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.561 -2.745 -17.757 1.00 0.00 H new ATOM 212 N LEU A 14 1.923 -0.455 -17.737 1.00 0.00 N ATOM 213 CA LEU A 14 1.289 0.697 -18.438 1.00 0.00 C ATOM 214 C LEU A 14 1.190 1.887 -17.482 1.00 0.00 C ATOM 215 O LEU A 14 1.720 2.950 -17.741 1.00 0.00 O ATOM 216 CB LEU A 14 -0.113 0.301 -18.905 1.00 0.00 C ATOM 217 CG LEU A 14 -0.070 -0.079 -20.387 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.374 1.130 -21.211 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.924 -1.225 -20.588 1.00 0.00 C ATOM 0 H LEU A 14 1.296 -1.229 -17.517 1.00 0.00 H new ATOM 0 HA LEU A 14 1.895 0.974 -19.300 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.481 -0.538 -18.314 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.806 1.128 -18.751 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.062 -0.395 -20.711 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.405 0.860 -22.266 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.332 1.948 -21.066 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.366 1.446 -20.888 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.957 -1.498 -21.643 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.915 -0.908 -20.264 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.609 -2.087 -20.000 1.00 0.00 H new ATOM 231 N GLY A 15 0.517 1.717 -16.379 1.00 0.00 N ATOM 232 CA GLY A 15 0.383 2.838 -15.406 1.00 0.00 C ATOM 233 C GLY A 15 0.312 2.274 -13.985 1.00 0.00 C ATOM 234 O GLY A 15 -0.756 1.955 -13.499 1.00 0.00 O ATOM 0 H GLY A 15 0.053 0.850 -16.108 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.231 3.517 -15.498 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.514 3.418 -15.624 1.00 0.00 H new ATOM 238 N PRO A 16 1.457 2.167 -13.359 1.00 0.00 N ATOM 239 CA PRO A 16 1.567 1.643 -11.987 1.00 0.00 C ATOM 240 C PRO A 16 1.144 2.708 -10.974 1.00 0.00 C ATOM 241 O PRO A 16 0.036 2.697 -10.474 1.00 0.00 O ATOM 242 CB PRO A 16 3.055 1.312 -11.848 1.00 0.00 C ATOM 243 CG PRO A 16 3.793 2.172 -12.903 1.00 0.00 C ATOM 244 CD PRO A 16 2.747 2.560 -13.963 1.00 0.00 C ATOM 0 HA PRO A 16 0.926 0.781 -11.803 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.411 1.539 -10.843 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.234 0.250 -12.018 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.227 3.060 -12.444 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.613 1.613 -13.354 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.777 3.628 -14.180 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.921 2.039 -14.904 1.00 0.00 H new ATOM 252 N GLY A 17 2.016 3.628 -10.666 1.00 0.00 N ATOM 253 CA GLY A 17 1.661 4.691 -9.685 1.00 0.00 C ATOM 254 C GLY A 17 1.278 4.046 -8.349 1.00 0.00 C ATOM 255 O GLY A 17 0.145 3.651 -8.158 1.00 0.00 O ATOM 0 H GLY A 17 2.958 3.689 -11.051 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.504 5.368 -9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.831 5.288 -10.064 1.00 0.00 H new ATOM 259 N PRO A 18 2.237 3.959 -7.464 1.00 0.00 N ATOM 260 CA PRO A 18 2.035 3.366 -6.131 1.00 0.00 C ATOM 261 C PRO A 18 1.314 4.356 -5.212 1.00 0.00 C ATOM 262 O PRO A 18 0.166 4.168 -4.861 1.00 0.00 O ATOM 263 CB PRO A 18 3.459 3.096 -5.637 1.00 0.00 C ATOM 264 CG PRO A 18 4.384 4.045 -6.436 1.00 0.00 C ATOM 265 CD PRO A 18 3.612 4.445 -7.708 1.00 0.00 C ATOM 0 HA PRO A 18 1.420 2.466 -6.149 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.541 3.284 -4.566 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.736 2.055 -5.800 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.640 4.925 -5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.321 3.549 -6.691 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.632 5.524 -7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.045 3.987 -8.597 1.00 0.00 H new ATOM 273 N SER A 19 1.978 5.409 -4.822 1.00 0.00 N ATOM 274 CA SER A 19 1.330 6.409 -3.929 1.00 0.00 C ATOM 275 C SER A 19 0.572 7.435 -4.777 1.00 0.00 C ATOM 276 O SER A 19 -0.023 8.362 -4.261 1.00 0.00 O ATOM 277 CB SER A 19 2.399 7.121 -3.101 1.00 0.00 C ATOM 278 OG SER A 19 2.165 6.876 -1.720 1.00 0.00 O ATOM 0 H SER A 19 2.941 5.620 -5.083 1.00 0.00 H new ATOM 0 HA SER A 19 0.632 5.903 -3.262 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.390 6.765 -3.382 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.376 8.192 -3.301 1.00 0.00 H new ATOM 0 HG SER A 19 2.850 7.330 -1.187 1.00 0.00 H new ATOM 284 N GLY A 20 0.587 7.280 -6.073 1.00 0.00 N ATOM 285 CA GLY A 20 -0.134 8.247 -6.949 1.00 0.00 C ATOM 286 C GLY A 20 -1.513 7.687 -7.301 1.00 0.00 C ATOM 287 O GLY A 20 -2.427 8.421 -7.622 1.00 0.00 O ATOM 0 H GLY A 20 1.067 6.525 -6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.238 9.206 -6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.440 8.428 -7.858 1.00 0.00 H new ATOM 291 N ASP A 21 -1.670 6.394 -7.245 1.00 0.00 N ATOM 292 CA ASP A 21 -2.990 5.787 -7.579 1.00 0.00 C ATOM 293 C ASP A 21 -3.787 5.560 -6.291 1.00 0.00 C ATOM 294 O ASP A 21 -4.346 4.503 -6.075 1.00 0.00 O ATOM 295 CB ASP A 21 -2.772 4.447 -8.285 1.00 0.00 C ATOM 296 CG ASP A 21 -3.893 4.216 -9.301 1.00 0.00 C ATOM 297 OD1 ASP A 21 -5.037 4.125 -8.882 1.00 0.00 O ATOM 298 OD2 ASP A 21 -3.591 4.133 -10.479 1.00 0.00 O ATOM 0 H ASP A 21 -0.941 5.730 -6.982 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.543 6.458 -8.236 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.805 4.442 -8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.756 3.638 -7.555 1.00 0.00 H new ATOM 303 N MET A 22 -3.842 6.543 -5.435 1.00 0.00 N ATOM 304 CA MET A 22 -4.604 6.378 -4.164 1.00 0.00 C ATOM 305 C MET A 22 -5.648 7.489 -4.042 1.00 0.00 C ATOM 306 O MET A 22 -6.817 7.286 -4.309 1.00 0.00 O ATOM 307 CB MET A 22 -3.637 6.455 -2.979 1.00 0.00 C ATOM 308 CG MET A 22 -3.035 5.072 -2.720 1.00 0.00 C ATOM 309 SD MET A 22 -4.232 4.052 -1.825 1.00 0.00 S ATOM 310 CE MET A 22 -3.052 3.227 -0.728 1.00 0.00 C ATOM 0 H MET A 22 -3.394 7.451 -5.560 1.00 0.00 H new ATOM 0 HA MET A 22 -5.106 5.410 -4.165 1.00 0.00 H new ATOM 0 HB2 MET A 22 -2.845 7.174 -3.188 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.161 6.807 -2.091 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.770 4.596 -3.664 1.00 0.00 H new ATOM 0 HG3 MET A 22 -2.116 5.166 -2.141 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.585 2.537 -0.074 1.00 0.00 H new ATOM 0 HE2 MET A 22 -2.326 2.675 -1.324 1.00 0.00 H new ATOM 0 HE3 MET A 22 -2.534 3.972 -0.124 1.00 0.00 H new ATOM 320 N ALA A 23 -5.239 8.660 -3.639 1.00 0.00 N ATOM 321 CA ALA A 23 -6.212 9.780 -3.498 1.00 0.00 C ATOM 322 C ALA A 23 -6.402 10.467 -4.852 1.00 0.00 C ATOM 323 O ALA A 23 -6.988 11.527 -4.943 1.00 0.00 O ATOM 324 CB ALA A 23 -5.679 10.793 -2.483 1.00 0.00 C ATOM 0 H ALA A 23 -4.274 8.890 -3.401 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.169 9.388 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.390 11.613 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.545 10.305 -1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.722 11.184 -2.828 1.00 0.00 H new ATOM 330 N ALA A 24 -5.911 9.871 -5.904 1.00 0.00 N ATOM 331 CA ALA A 24 -6.069 10.494 -7.249 1.00 0.00 C ATOM 332 C ALA A 24 -7.553 10.757 -7.515 1.00 0.00 C ATOM 333 O ALA A 24 -7.924 11.771 -8.073 1.00 0.00 O ATOM 334 CB ALA A 24 -5.518 9.548 -8.318 1.00 0.00 C ATOM 0 H ALA A 24 -5.409 8.983 -5.891 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.521 11.435 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.634 10.004 -9.301 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.462 9.359 -8.127 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.066 8.606 -8.288 1.00 0.00 H new ATOM 340 N LYS A 25 -8.404 9.850 -7.118 1.00 0.00 N ATOM 341 CA LYS A 25 -9.863 10.047 -7.345 1.00 0.00 C ATOM 342 C LYS A 25 -10.443 10.908 -6.221 1.00 0.00 C ATOM 343 O LYS A 25 -11.481 11.522 -6.369 1.00 0.00 O ATOM 344 CB LYS A 25 -10.565 8.688 -7.360 1.00 0.00 C ATOM 345 CG LYS A 25 -9.935 7.799 -8.432 1.00 0.00 C ATOM 346 CD LYS A 25 -10.921 7.614 -9.587 1.00 0.00 C ATOM 347 CE LYS A 25 -10.665 6.268 -10.267 1.00 0.00 C ATOM 348 NZ LYS A 25 -9.830 6.478 -11.484 1.00 0.00 N ATOM 0 H LYS A 25 -8.151 8.982 -6.646 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.017 10.546 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.480 8.213 -6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.629 8.819 -7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.012 8.250 -8.797 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.671 6.831 -8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.945 7.657 -9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.809 8.424 -10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.160 5.591 -9.578 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.611 5.799 -10.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.655 5.563 -11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.329 7.110 -12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.923 6.907 -11.213 1.00 0.00 H new ATOM 362 N MET A 26 -9.782 10.958 -5.097 1.00 0.00 N ATOM 363 CA MET A 26 -10.297 11.778 -3.965 1.00 0.00 C ATOM 364 C MET A 26 -10.247 13.260 -4.344 1.00 0.00 C ATOM 365 O MET A 26 -11.215 13.980 -4.202 1.00 0.00 O ATOM 366 CB MET A 26 -9.432 11.538 -2.726 1.00 0.00 C ATOM 367 CG MET A 26 -9.746 10.161 -2.141 1.00 0.00 C ATOM 368 SD MET A 26 -11.092 10.309 -0.939 1.00 0.00 S ATOM 369 CE MET A 26 -10.747 8.787 -0.024 1.00 0.00 C ATOM 0 H MET A 26 -8.907 10.466 -4.914 1.00 0.00 H new ATOM 0 HA MET A 26 -11.327 11.493 -3.749 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.376 11.600 -2.989 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.621 12.312 -1.982 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.029 9.472 -2.937 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.859 9.747 -1.661 1.00 0.00 H new ATOM 0 HE1 MET A 26 -11.472 8.675 0.782 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.818 7.933 -0.698 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.742 8.835 0.396 1.00 0.00 H new ATOM 379 N SER A 27 -9.126 13.723 -4.828 1.00 0.00 N ATOM 380 CA SER A 27 -9.016 15.156 -5.216 1.00 0.00 C ATOM 381 C SER A 27 -9.895 15.420 -6.441 1.00 0.00 C ATOM 382 O SER A 27 -10.673 16.354 -6.470 1.00 0.00 O ATOM 383 CB SER A 27 -7.562 15.483 -5.555 1.00 0.00 C ATOM 384 OG SER A 27 -6.712 14.935 -4.556 1.00 0.00 O ATOM 0 H SER A 27 -8.282 13.169 -4.971 1.00 0.00 H new ATOM 0 HA SER A 27 -9.346 15.783 -4.388 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.304 15.075 -6.532 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.424 16.563 -5.614 1.00 0.00 H new ATOM 0 HG SER A 27 -5.779 15.142 -4.771 1.00 0.00 H new ATOM 390 N LYS A 28 -9.778 14.604 -7.452 1.00 0.00 N ATOM 391 CA LYS A 28 -10.606 14.806 -8.674 1.00 0.00 C ATOM 392 C LYS A 28 -12.091 14.737 -8.306 1.00 0.00 C ATOM 393 O LYS A 28 -12.948 15.111 -9.080 1.00 0.00 O ATOM 394 CB LYS A 28 -10.284 13.710 -9.693 1.00 0.00 C ATOM 395 CG LYS A 28 -9.340 14.264 -10.762 1.00 0.00 C ATOM 396 CD LYS A 28 -10.079 15.302 -11.610 1.00 0.00 C ATOM 397 CE LYS A 28 -10.231 14.780 -13.040 1.00 0.00 C ATOM 398 NZ LYS A 28 -11.325 13.768 -13.085 1.00 0.00 N ATOM 0 H LYS A 28 -9.144 13.805 -7.485 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.384 15.783 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.823 12.858 -9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.202 13.349 -10.156 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.468 14.718 -10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.976 13.455 -11.395 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.060 15.506 -11.180 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.529 16.243 -11.612 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.455 15.604 -13.718 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.295 14.335 -13.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.429 13.412 -14.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.093 12.978 -12.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.217 14.207 -12.780 1.00 0.00 H new ATOM 412 N LYS A 29 -12.403 14.256 -7.133 1.00 0.00 N ATOM 413 CA LYS A 29 -13.832 14.158 -6.722 1.00 0.00 C ATOM 414 C LYS A 29 -14.369 15.548 -6.374 1.00 0.00 C ATOM 415 O LYS A 29 -15.254 16.062 -7.029 1.00 0.00 O ATOM 416 CB LYS A 29 -13.952 13.242 -5.504 1.00 0.00 C ATOM 417 CG LYS A 29 -15.230 12.409 -5.617 1.00 0.00 C ATOM 418 CD LYS A 29 -15.240 11.333 -4.530 1.00 0.00 C ATOM 419 CE LYS A 29 -16.637 11.243 -3.914 1.00 0.00 C ATOM 420 NZ LYS A 29 -16.624 10.257 -2.796 1.00 0.00 N ATOM 0 H LYS A 29 -11.729 13.927 -6.442 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.415 13.745 -7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.083 12.587 -5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.971 13.835 -4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.105 13.051 -5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.288 11.946 -6.602 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.955 10.370 -4.954 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.506 11.572 -3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.948 12.221 -3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.361 10.941 -4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.574 10.195 -2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.345 9.324 -3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.945 10.563 -2.071 1.00 0.00 H new ATOM 434 N LYS A 30 -13.850 16.160 -5.342 1.00 0.00 N ATOM 435 CA LYS A 30 -14.346 17.513 -4.957 1.00 0.00 C ATOM 436 C LYS A 30 -13.194 18.521 -4.996 1.00 0.00 C ATOM 437 O LYS A 30 -13.398 19.699 -5.223 1.00 0.00 O ATOM 438 CB LYS A 30 -14.928 17.458 -3.543 1.00 0.00 C ATOM 439 CG LYS A 30 -13.842 17.029 -2.556 1.00 0.00 C ATOM 440 CD LYS A 30 -14.252 15.719 -1.881 1.00 0.00 C ATOM 441 CE LYS A 30 -13.121 15.234 -0.972 1.00 0.00 C ATOM 442 NZ LYS A 30 -13.553 14.004 -0.254 1.00 0.00 N ATOM 0 H LYS A 30 -13.108 15.783 -4.752 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.119 17.825 -5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.322 18.435 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.762 16.756 -3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.893 16.900 -3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.691 17.805 -1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.162 15.867 -1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.475 14.964 -2.635 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.228 15.028 -1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.857 16.012 -0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.784 13.675 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.393 14.215 0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.784 13.262 -0.945 1.00 0.00 H new ATOM 456 N ALA A 31 -11.989 18.075 -4.777 1.00 0.00 N ATOM 457 CA ALA A 31 -10.833 19.017 -4.803 1.00 0.00 C ATOM 458 C ALA A 31 -10.824 19.778 -6.130 1.00 0.00 C ATOM 459 O ALA A 31 -10.370 20.901 -6.210 1.00 0.00 O ATOM 460 CB ALA A 31 -9.529 18.232 -4.656 1.00 0.00 C ATOM 0 H ALA A 31 -11.754 17.102 -4.582 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.924 19.725 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.685 18.922 -4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.534 17.691 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.437 17.523 -5.478 1.00 0.00 H new ATOM 466 N GLY A 32 -11.322 19.173 -7.174 1.00 0.00 N ATOM 467 CA GLY A 32 -11.341 19.863 -8.495 1.00 0.00 C ATOM 468 C GLY A 32 -10.001 19.654 -9.203 1.00 0.00 C ATOM 469 O GLY A 32 -9.927 19.024 -10.239 1.00 0.00 O ATOM 0 H GLY A 32 -11.716 18.232 -7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.153 19.473 -9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.529 20.928 -8.358 1.00 0.00 H new ATOM 473 N ARG A 33 -8.941 20.178 -8.652 1.00 0.00 N ATOM 474 CA ARG A 33 -7.607 20.010 -9.294 1.00 0.00 C ATOM 475 C ARG A 33 -6.910 18.779 -8.711 1.00 0.00 C ATOM 476 O ARG A 33 -6.852 18.597 -7.511 1.00 0.00 O ATOM 477 CB ARG A 33 -6.755 21.253 -9.030 1.00 0.00 C ATOM 478 CG ARG A 33 -6.349 21.288 -7.554 1.00 0.00 C ATOM 479 CD ARG A 33 -5.905 22.704 -7.179 1.00 0.00 C ATOM 480 NE ARG A 33 -4.434 22.831 -7.378 1.00 0.00 N ATOM 481 CZ ARG A 33 -3.625 22.699 -6.363 1.00 0.00 C ATOM 482 NH1 ARG A 33 -3.834 21.765 -5.479 1.00 0.00 N ATOM 483 NH2 ARG A 33 -2.605 23.504 -6.234 1.00 0.00 N ATOM 0 H ARG A 33 -8.941 20.715 -7.785 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.735 19.878 -10.368 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.867 21.240 -9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.315 22.152 -9.286 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.187 20.981 -6.928 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.539 20.582 -7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.430 23.436 -7.792 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.162 22.915 -6.141 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.059 23.021 -8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.631 21.136 -5.580 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.201 21.663 -4.686 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.441 24.235 -6.926 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.972 23.402 -5.441 1.00 0.00 H new ATOM 497 N GLY A 34 -6.378 17.932 -9.549 1.00 0.00 N ATOM 498 CA GLY A 34 -5.686 16.715 -9.042 1.00 0.00 C ATOM 499 C GLY A 34 -4.171 16.917 -9.125 1.00 0.00 C ATOM 500 O GLY A 34 -3.517 16.762 -8.108 1.00 0.00 O ATOM 501 OXT GLY A 34 -3.694 17.220 -10.206 1.00 0.00 O ATOM 0 H GLY A 34 -6.393 18.031 -10.564 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.981 16.519 -8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.980 15.845 -9.629 1.00 0.00 H new TER 505 GLY A 34