USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 842 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: 1 23 TYR OH : rot -156:sc= -3.56! USER MOD Set 1.2: 2 23 TYR OH : rot -176:sc= -0.928 USER MOD Single : 1 1 GLU N :NH3+ 163:sc= -0.0117 (180deg=-0.319) USER MOD Single : 1 3 TYR OH : rot 60:sc= -0.278 USER MOD Single : 1 7 SER OG : rot 180:sc= 0.0777 USER MOD Single : 1 9 ASN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : 1 10 GLN :FLIP amide:sc= -10.3! C(o=-13!,f=-10!) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 27 THR OG1 : rot 56:sc= 0.146 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.234 F(o=-2.2,f=-0.23) USER MOD Single : 1 33 ASN : amide:sc= -0.15 K(o=-0.15,f=-2.4!) USER MOD Single : 1 40 SER OG : rot 123:sc= 0.0355 USER MOD Single : 1 50 LYS NZ :NH3+ -149:sc= -1.37 (180deg=-2.45!) USER MOD Single : 1 53 GLN : amide:sc= -12.5! C(o=-12!,f=-18!) USER MOD Single : 1 58 THR OG1 : rot -120:sc= -1.24 USER MOD Single : 2 1 GLU N :NH3+ -103:sc= -0.309 (180deg=-1.64!) USER MOD Single : 2 3 TYR OH : rot 180:sc= -0.0194 USER MOD Single : 2 7 SER OG : rot -48:sc= 0.42 USER MOD Single : 2 9 ASN : amide:sc= -0.0257 X(o=-0.026,f=0) USER MOD Single : 2 10 GLN :FLIP amide:sc= -7.24! C(o=-11!,f=-7.2!) USER MOD Single : 2 16 LYS NZ :NH3+ 159:sc= 1.09 (180deg=0.112!) USER MOD Single : 2 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 2 27 THR OG1 : rot 60:sc= 0.0611 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.348 F(o=-1.4,f=-0.35) USER MOD Single : 2 33 ASN : amide:sc= -0.0799 K(o=-0.08,f=-1.8!) USER MOD Single : 2 40 SER OG : rot 180:sc= -0.177 USER MOD Single : 2 50 LYS NZ :NH3+ -153:sc= -0.898 (180deg=-1.43) USER MOD Single : 2 53 GLN : amide:sc= -15! C(o=-15!,f=-22!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.73 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -17.342 -7.262 -4.124 1.00 0.00 N ATOM 2 CA GLU 1 1 -16.939 -7.201 -2.730 1.00 0.00 C ATOM 3 C GLU 1 1 -16.154 -8.458 -2.348 1.00 0.00 C ATOM 4 O GLU 1 1 -16.277 -8.956 -1.230 1.00 0.00 O ATOM 5 CB GLU 1 1 -18.151 -7.013 -1.815 1.00 0.00 C ATOM 6 CG GLU 1 1 -18.547 -5.538 -1.724 1.00 0.00 C ATOM 7 CD GLU 1 1 -19.746 -5.236 -2.626 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -20.830 -5.783 -2.331 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -19.550 -4.464 -3.589 1.00 0.00 O ATOM 0 H1 GLU 1 1 -18.099 -6.570 -4.297 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -16.527 -7.042 -4.731 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -17.689 -8.217 -4.343 1.00 0.00 H new ATOM 0 HA GLU 1 1 -16.289 -6.336 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -18.991 -7.596 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -17.922 -7.394 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -18.791 -5.286 -0.692 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -17.703 -4.912 -2.014 1.00 0.00 H new ATOM 16 N GLU 1 2 -15.365 -8.935 -3.300 1.00 0.00 N ATOM 17 CA GLU 1 2 -14.560 -10.124 -3.078 1.00 0.00 C ATOM 18 C GLU 1 2 -13.226 -9.749 -2.427 1.00 0.00 C ATOM 19 O GLU 1 2 -12.173 -10.232 -2.839 1.00 0.00 O ATOM 20 CB GLU 1 2 -14.336 -10.887 -4.385 1.00 0.00 C ATOM 21 CG GLU 1 2 -14.373 -12.398 -4.151 1.00 0.00 C ATOM 22 CD GLU 1 2 -14.590 -13.151 -5.465 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -13.633 -13.180 -6.268 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -15.709 -13.683 -5.636 1.00 0.00 O ATOM 0 H GLU 1 2 -15.266 -8.520 -4.226 1.00 0.00 H new ATOM 0 HA GLU 1 2 -15.101 -10.783 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -15.102 -10.609 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -13.375 -10.605 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -13.439 -12.722 -3.692 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -15.173 -12.642 -3.452 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.316 -8.891 -1.421 1.00 0.00 N ATOM 32 CA TYR 1 3 -12.130 -8.446 -0.710 1.00 0.00 C ATOM 33 C TYR 1 3 -11.827 -9.362 0.477 1.00 0.00 C ATOM 34 O TYR 1 3 -11.892 -8.933 1.629 1.00 0.00 O ATOM 35 CB TYR 1 3 -12.452 -7.044 -0.189 1.00 0.00 C ATOM 36 CG TYR 1 3 -13.916 -6.851 0.213 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -14.533 -7.772 1.034 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -14.618 -5.755 -0.247 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -15.911 -7.590 1.412 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -15.996 -5.573 0.131 1.00 0.00 C ATOM 41 CZ TYR 1 3 -16.574 -6.500 0.942 1.00 0.00 C ATOM 42 OH TYR 1 3 -17.875 -6.328 1.298 1.00 0.00 O ATOM 0 H TYR 1 3 -14.192 -8.493 -1.082 1.00 0.00 H new ATOM 0 HA TYR 1 3 -11.261 -8.458 -1.368 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -11.818 -6.833 0.673 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -12.198 -6.314 -0.958 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -13.983 -8.629 1.393 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -14.134 -5.034 -0.890 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -16.406 -8.303 2.054 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -16.557 -4.720 -0.221 1.00 0.00 H new ATOM 0 HH TYR 1 3 -17.941 -6.260 2.273 1.00 0.00 H new ATOM 52 N VAL 1 4 -11.503 -10.606 0.157 1.00 0.00 N ATOM 53 CA VAL 1 4 -11.189 -11.586 1.184 1.00 0.00 C ATOM 54 C VAL 1 4 -9.828 -12.214 0.884 1.00 0.00 C ATOM 55 O VAL 1 4 -8.963 -12.279 1.757 1.00 0.00 O ATOM 56 CB VAL 1 4 -12.315 -12.618 1.283 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -12.004 -13.667 2.352 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -13.659 -11.938 1.556 1.00 0.00 C ATOM 0 H VAL 1 4 -11.451 -10.958 -0.799 1.00 0.00 H new ATOM 0 HA VAL 1 4 -11.118 -11.107 2.161 1.00 0.00 H new ATOM 0 HB VAL 1 4 -12.387 -13.129 0.323 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -12.820 -14.388 2.402 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -11.078 -14.183 2.097 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -11.892 -13.178 3.320 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -14.442 -12.693 1.622 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -13.605 -11.389 2.496 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -13.889 -11.247 0.745 1.00 0.00 H new ATOM 68 N GLY 1 5 -9.678 -12.663 -0.354 1.00 0.00 N ATOM 69 CA GLY 1 5 -8.435 -13.284 -0.780 1.00 0.00 C ATOM 70 C GLY 1 5 -7.317 -12.247 -0.902 1.00 0.00 C ATOM 71 O GLY 1 5 -6.199 -12.578 -1.292 1.00 0.00 O ATOM 0 H GLY 1 5 -10.397 -12.609 -1.076 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -8.145 -14.054 -0.065 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -8.582 -13.780 -1.740 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.658 -11.013 -0.560 1.00 0.00 N ATOM 76 CA LEU 1 6 -6.697 -9.925 -0.627 1.00 0.00 C ATOM 77 C LEU 1 6 -6.828 -9.058 0.627 1.00 0.00 C ATOM 78 O LEU 1 6 -6.238 -7.982 0.706 1.00 0.00 O ATOM 79 CB LEU 1 6 -6.859 -9.146 -1.933 1.00 0.00 C ATOM 80 CG LEU 1 6 -7.448 -9.926 -3.111 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -6.579 -11.137 -3.455 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -8.900 -10.322 -2.835 1.00 0.00 C ATOM 0 H LEU 1 6 -8.586 -10.743 -0.236 1.00 0.00 H new ATOM 0 HA LEU 1 6 -5.679 -10.316 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -7.495 -8.282 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -5.882 -8.764 -2.228 1.00 0.00 H new ATOM 0 HG LEU 1 6 -7.453 -9.274 -3.985 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -7.019 -11.674 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -5.577 -10.801 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -6.520 -11.800 -2.592 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -9.295 -10.875 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -8.943 -10.949 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -9.498 -9.425 -2.676 1.00 0.00 H new ATOM 94 N SER 1 7 -7.606 -9.558 1.576 1.00 0.00 N ATOM 95 CA SER 1 7 -7.822 -8.842 2.821 1.00 0.00 C ATOM 96 C SER 1 7 -7.217 -9.627 3.988 1.00 0.00 C ATOM 97 O SER 1 7 -6.298 -10.421 3.796 1.00 0.00 O ATOM 98 CB SER 1 7 -9.312 -8.595 3.064 1.00 0.00 C ATOM 99 OG SER 1 7 -9.540 -7.424 3.842 1.00 0.00 O ATOM 0 H SER 1 7 -8.094 -10.451 1.507 1.00 0.00 H new ATOM 0 HA SER 1 7 -7.328 -7.873 2.748 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -9.824 -8.499 2.107 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -9.744 -9.457 3.572 1.00 0.00 H new ATOM 0 HG SER 1 7 -10.503 -7.301 3.973 1.00 0.00 H new ATOM 105 N ALA 1 8 -7.758 -9.377 5.170 1.00 0.00 N ATOM 106 CA ALA 1 8 -7.285 -10.050 6.368 1.00 0.00 C ATOM 107 C ALA 1 8 -7.107 -11.541 6.073 1.00 0.00 C ATOM 108 O ALA 1 8 -7.893 -12.129 5.332 1.00 0.00 O ATOM 109 CB ALA 1 8 -8.260 -9.795 7.518 1.00 0.00 C ATOM 0 H ALA 1 8 -8.520 -8.717 5.325 1.00 0.00 H new ATOM 0 HA ALA 1 8 -6.315 -9.656 6.672 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -7.904 -10.300 8.416 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -8.327 -8.724 7.707 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -9.245 -10.179 7.252 1.00 0.00 H new ATOM 115 N ASN 1 9 -6.069 -12.111 6.669 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.779 -13.521 6.479 1.00 0.00 C ATOM 117 C ASN 1 9 -4.799 -13.684 5.315 1.00 0.00 C ATOM 118 O ASN 1 9 -3.974 -14.597 5.316 1.00 0.00 O ATOM 119 CB ASN 1 9 -7.049 -14.305 6.141 1.00 0.00 C ATOM 120 CG ASN 1 9 -6.915 -15.772 6.554 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -7.532 -16.236 7.498 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -6.075 -16.472 5.797 1.00 0.00 N ATOM 0 H ASN 1 9 -5.419 -11.621 7.284 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.355 -13.905 7.407 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -7.903 -13.857 6.649 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -7.246 -14.241 5.071 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -5.915 -17.460 5.992 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -5.591 -16.021 5.021 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.923 -12.786 4.348 1.00 0.00 N ATOM 130 CA GLN 1 10 -4.060 -12.818 3.181 1.00 0.00 C ATOM 131 C GLN 1 10 -2.593 -12.695 3.601 1.00 0.00 C ATOM 132 O GLN 1 10 -1.717 -13.314 3.000 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.439 -11.719 2.187 1.00 0.00 C ATOM 134 CG GLN 1 10 -3.913 -12.039 0.787 1.00 0.00 C ATOM 135 CD GLN 1 10 -2.691 -11.182 0.451 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -2.978 -10.068 -0.217 1.00 0.00 O flip ATOM 137 NE2 GLN 1 10 -1.562 -11.510 0.776 1.00 0.00 N flip ATOM 0 H GLN 1 10 -5.609 -12.031 4.350 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.196 -13.777 2.681 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -5.523 -11.610 2.156 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -4.033 -10.765 2.522 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -3.649 -13.095 0.726 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -4.698 -11.864 0.051 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -1.411 -12.379 1.288 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -0.769 -10.915 0.536 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.372 -11.890 4.631 1.00 0.00 N ATOM 147 CA CYS 1 11 -1.027 -11.679 5.139 1.00 0.00 C ATOM 148 C CYS 1 11 -0.557 -12.971 5.810 1.00 0.00 C ATOM 149 O CYS 1 11 0.572 -13.050 6.293 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.965 -10.485 6.095 1.00 0.00 C ATOM 151 SG CYS 1 11 0.679 -10.181 6.837 1.00 0.00 S ATOM 0 H CYS 1 11 -3.101 -11.377 5.127 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.358 -11.436 4.313 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -1.276 -9.590 5.557 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.687 -10.642 6.897 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.447 -13.953 5.817 1.00 0.00 N ATOM 157 CA ALA 1 12 -1.137 -15.238 6.421 1.00 0.00 C ATOM 158 C ALA 1 12 -0.912 -16.273 5.318 1.00 0.00 C ATOM 159 O ALA 1 12 -0.814 -17.469 5.593 1.00 0.00 O ATOM 160 CB ALA 1 12 -2.264 -15.639 7.375 1.00 0.00 C ATOM 0 H ALA 1 12 -2.382 -13.885 5.415 1.00 0.00 H new ATOM 0 HA ALA 1 12 -0.220 -15.176 7.007 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -2.032 -16.603 7.828 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -2.365 -14.886 8.156 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -3.200 -15.715 6.821 1.00 0.00 H new ATOM 166 N VAL 1 13 -0.834 -15.778 4.091 1.00 0.00 N ATOM 167 CA VAL 1 13 -0.621 -16.644 2.945 1.00 0.00 C ATOM 168 C VAL 1 13 0.470 -17.664 3.278 1.00 0.00 C ATOM 169 O VAL 1 13 1.183 -17.515 4.269 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.296 -15.806 1.707 1.00 0.00 C ATOM 171 CG1 VAL 1 13 1.180 -15.937 1.328 1.00 0.00 C ATOM 172 CG2 VAL 1 13 -1.201 -16.187 0.534 1.00 0.00 C ATOM 0 H VAL 1 13 -0.915 -14.786 3.866 1.00 0.00 H new ATOM 0 HA VAL 1 13 -1.529 -17.201 2.715 1.00 0.00 H new ATOM 0 HB VAL 1 13 -0.487 -14.761 1.950 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 1.384 -15.331 0.445 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 1.800 -15.592 2.156 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 1.409 -16.981 1.113 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 -0.949 -15.576 -0.333 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 -1.057 -17.240 0.291 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 -2.242 -16.017 0.808 1.00 0.00 H new ATOM 182 N PRO 1 14 0.568 -18.706 2.409 1.00 0.00 N ATOM 183 CA PRO 1 14 1.558 -19.751 2.602 1.00 0.00 C ATOM 184 C PRO 1 14 2.956 -19.258 2.221 1.00 0.00 C ATOM 185 O PRO 1 14 3.807 -20.046 1.813 1.00 0.00 O ATOM 186 CB PRO 1 14 1.082 -20.909 1.738 1.00 0.00 C ATOM 187 CG PRO 1 14 0.104 -20.310 0.741 1.00 0.00 C ATOM 188 CD PRO 1 14 -0.260 -18.915 1.225 1.00 0.00 C ATOM 0 HA PRO 1 14 1.647 -20.059 3.644 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 1.919 -21.385 1.227 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 0.601 -21.677 2.344 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 0.551 -20.265 -0.252 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -0.788 -20.931 0.661 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -0.055 -18.165 0.461 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -1.321 -18.844 1.466 1.00 0.00 H new ATOM 196 N ALA 1 15 3.150 -17.955 2.369 1.00 0.00 N ATOM 197 CA ALA 1 15 4.429 -17.347 2.047 1.00 0.00 C ATOM 198 C ALA 1 15 4.939 -17.915 0.721 1.00 0.00 C ATOM 199 O ALA 1 15 6.052 -18.435 0.650 1.00 0.00 O ATOM 200 CB ALA 1 15 5.411 -17.581 3.197 1.00 0.00 C ATOM 0 H ALA 1 15 2.442 -17.304 2.708 1.00 0.00 H new ATOM 0 HA ALA 1 15 4.321 -16.269 1.925 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 6.371 -17.124 2.955 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 5.016 -17.134 4.109 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 5.546 -18.652 3.348 1.00 0.00 H new ATOM 206 N LYS 1 16 4.101 -17.796 -0.299 1.00 0.00 N ATOM 207 CA LYS 1 16 4.452 -18.291 -1.619 1.00 0.00 C ATOM 208 C LYS 1 16 3.450 -17.755 -2.643 1.00 0.00 C ATOM 209 O LYS 1 16 3.179 -18.407 -3.651 1.00 0.00 O ATOM 210 CB LYS 1 16 4.563 -19.817 -1.606 1.00 0.00 C ATOM 211 CG LYS 1 16 3.336 -20.451 -0.947 1.00 0.00 C ATOM 212 CD LYS 1 16 2.544 -21.289 -1.952 1.00 0.00 C ATOM 213 CE LYS 1 16 3.244 -22.622 -2.226 1.00 0.00 C ATOM 214 NZ LYS 1 16 2.341 -23.541 -2.954 1.00 0.00 N ATOM 0 H LYS 1 16 3.179 -17.364 -0.237 1.00 0.00 H new ATOM 0 HA LYS 1 16 5.435 -17.926 -1.915 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 4.664 -20.186 -2.627 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 5.463 -20.115 -1.069 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 3.650 -21.079 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 2.696 -19.671 -0.535 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 1.541 -21.473 -1.567 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 2.431 -20.735 -2.884 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 4.148 -22.451 -2.811 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 3.554 -23.077 -1.285 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 2.831 -24.441 -3.132 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 1.490 -23.717 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 2.066 -23.112 -3.860 1.00 0.00 H new ATOM 228 N ASP 1 17 2.928 -16.573 -2.351 1.00 0.00 N ATOM 229 CA ASP 1 17 1.962 -15.943 -3.234 1.00 0.00 C ATOM 230 C ASP 1 17 1.955 -14.434 -2.980 1.00 0.00 C ATOM 231 O ASP 1 17 1.009 -13.742 -3.358 1.00 0.00 O ATOM 232 CB ASP 1 17 0.550 -16.473 -2.975 1.00 0.00 C ATOM 233 CG ASP 1 17 -0.465 -16.175 -4.079 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -0.049 -16.209 -5.257 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -1.636 -15.922 -3.721 1.00 0.00 O ATOM 0 H ASP 1 17 3.156 -16.035 -1.515 1.00 0.00 H new ATOM 0 HA ASP 1 17 2.248 -16.167 -4.262 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 0.604 -17.552 -2.833 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 0.184 -16.047 -2.041 1.00 0.00 H new ATOM 240 N ARG 1 18 3.018 -13.968 -2.343 1.00 0.00 N ATOM 241 CA ARG 1 18 3.146 -12.554 -2.034 1.00 0.00 C ATOM 242 C ARG 1 18 3.800 -11.813 -3.203 1.00 0.00 C ATOM 243 O ARG 1 18 4.248 -12.436 -4.165 1.00 0.00 O ATOM 244 CB ARG 1 18 3.982 -12.339 -0.771 1.00 0.00 C ATOM 245 CG ARG 1 18 3.408 -13.128 0.407 1.00 0.00 C ATOM 246 CD ARG 1 18 4.524 -13.658 1.309 1.00 0.00 C ATOM 247 NE ARG 1 18 3.963 -14.097 2.606 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.691 -14.288 3.714 1.00 0.00 C ATOM 249 NH1 ARG 1 18 6.014 -14.078 3.691 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.096 -14.687 4.846 1.00 0.00 N ATOM 0 H ARG 1 18 3.800 -14.545 -2.032 1.00 0.00 H new ATOM 0 HA ARG 1 18 2.144 -12.160 -1.864 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 5.011 -12.649 -0.954 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 4.008 -11.278 -0.524 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.740 -12.490 0.986 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.810 -13.960 0.035 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 5.031 -14.491 0.822 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.271 -12.881 1.471 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.958 -14.265 2.660 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.467 -13.773 2.830 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.568 -14.223 4.535 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.089 -14.845 4.864 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.650 -14.832 5.690 1.00 0.00 H new ATOM 264 N VAL 1 19 3.833 -10.494 -3.081 1.00 0.00 N ATOM 265 CA VAL 1 19 4.424 -9.662 -4.114 1.00 0.00 C ATOM 266 C VAL 1 19 5.822 -9.223 -3.674 1.00 0.00 C ATOM 267 O VAL 1 19 6.363 -8.247 -4.192 1.00 0.00 O ATOM 268 CB VAL 1 19 3.500 -8.484 -4.431 1.00 0.00 C ATOM 269 CG1 VAL 1 19 4.030 -7.674 -5.616 1.00 0.00 C ATOM 270 CG2 VAL 1 19 2.070 -8.964 -4.689 1.00 0.00 C ATOM 0 H VAL 1 19 3.460 -9.981 -2.282 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.537 -10.227 -5.039 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.481 -7.828 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.355 -6.843 -5.820 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 5.021 -7.286 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 4.093 -8.315 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.433 -8.108 -4.912 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 2.064 -9.651 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.693 -9.476 -3.804 1.00 0.00 H new ATOM 280 N ASP 1 20 6.366 -9.964 -2.720 1.00 0.00 N ATOM 281 CA ASP 1 20 7.690 -9.664 -2.202 1.00 0.00 C ATOM 282 C ASP 1 20 7.948 -8.160 -2.315 1.00 0.00 C ATOM 283 O ASP 1 20 8.518 -7.697 -3.302 1.00 0.00 O ATOM 284 CB ASP 1 20 8.773 -10.390 -3.003 1.00 0.00 C ATOM 285 CG ASP 1 20 10.152 -9.730 -2.974 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.761 -9.734 -1.882 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.566 -9.235 -4.045 1.00 0.00 O ATOM 0 H ASP 1 20 5.914 -10.772 -2.292 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.728 -9.993 -1.163 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.866 -11.407 -2.621 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.446 -10.468 -4.040 1.00 0.00 H new ATOM 292 N CYS 1 21 7.517 -7.439 -1.289 1.00 0.00 N ATOM 293 CA CYS 1 21 7.695 -5.998 -1.261 1.00 0.00 C ATOM 294 C CYS 1 21 9.148 -5.685 -1.621 1.00 0.00 C ATOM 295 O CYS 1 21 9.430 -4.676 -2.265 1.00 0.00 O ATOM 296 CB CYS 1 21 7.301 -5.406 0.093 1.00 0.00 C ATOM 297 SG CYS 1 21 6.348 -3.847 0.001 1.00 0.00 S ATOM 0 H CYS 1 21 7.045 -7.827 -0.472 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.034 -5.533 -1.993 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.712 -6.143 0.639 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.206 -5.228 0.673 1.00 0.00 H new ATOM 302 N GLY 1 22 10.035 -6.570 -1.187 1.00 0.00 N ATOM 303 CA GLY 1 22 11.453 -6.401 -1.455 1.00 0.00 C ATOM 304 C GLY 1 22 11.902 -4.971 -1.151 1.00 0.00 C ATOM 305 O GLY 1 22 12.366 -4.260 -2.039 1.00 0.00 O ATOM 0 H GLY 1 22 9.799 -7.406 -0.652 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.027 -7.103 -0.850 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.660 -6.637 -2.499 1.00 0.00 H new ATOM 309 N TYR 1 23 11.747 -4.592 0.110 1.00 0.00 N ATOM 310 CA TYR 1 23 12.132 -3.260 0.544 1.00 0.00 C ATOM 311 C TYR 1 23 13.577 -3.241 1.045 1.00 0.00 C ATOM 312 O TYR 1 23 14.031 -4.194 1.676 1.00 0.00 O ATOM 313 CB TYR 1 23 11.198 -2.908 1.703 1.00 0.00 C ATOM 314 CG TYR 1 23 10.198 -1.795 1.382 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.572 -0.472 1.513 1.00 0.00 C ATOM 316 CD2 TYR 1 23 8.923 -2.113 0.959 1.00 0.00 C ATOM 317 CE1 TYR 1 23 9.632 0.575 1.211 1.00 0.00 C ATOM 318 CE2 TYR 1 23 7.983 -1.065 0.657 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.384 0.227 0.798 1.00 0.00 C ATOM 320 OH TYR 1 23 7.496 1.216 0.512 1.00 0.00 O ATOM 0 H TYR 1 23 11.360 -5.185 0.844 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.059 -2.552 -0.282 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.648 -3.802 1.997 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.799 -2.606 2.561 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 11.570 -0.223 1.842 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.631 -3.147 0.855 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 9.911 1.614 1.310 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 6.982 -1.300 0.326 1.00 0.00 H new ATOM 0 HH TYR 1 23 6.583 0.872 0.604 1.00 0.00 H new ATOM 330 N PRO 1 24 14.278 -2.117 0.737 1.00 0.00 N ATOM 331 CA PRO 1 24 15.663 -1.962 1.150 1.00 0.00 C ATOM 332 C PRO 1 24 15.758 -1.654 2.646 1.00 0.00 C ATOM 333 O PRO 1 24 16.852 -1.612 3.205 1.00 0.00 O ATOM 334 CB PRO 1 24 16.210 -0.844 0.277 1.00 0.00 C ATOM 335 CG PRO 1 24 14.996 -0.104 -0.261 1.00 0.00 C ATOM 336 CD PRO 1 24 13.773 -0.968 -0.008 1.00 0.00 C ATOM 0 HA PRO 1 24 16.246 -2.874 1.019 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 16.851 -0.176 0.853 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.816 -1.244 -0.536 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 14.889 0.862 0.232 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.110 0.093 -1.327 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.018 -0.427 0.562 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.306 -1.277 -0.943 1.00 0.00 H new ATOM 344 N HIS 1 25 14.597 -1.446 3.249 1.00 0.00 N ATOM 345 CA HIS 1 25 14.536 -1.142 4.669 1.00 0.00 C ATOM 346 C HIS 1 25 13.612 -2.143 5.368 1.00 0.00 C ATOM 347 O HIS 1 25 13.147 -1.893 6.479 1.00 0.00 O ATOM 348 CB HIS 1 25 14.117 0.311 4.897 1.00 0.00 C ATOM 349 CG HIS 1 25 14.935 1.029 5.944 1.00 0.00 C ATOM 350 ND1 HIS 1 25 15.477 2.287 5.739 1.00 0.00 N ATOM 351 CD2 HIS 1 25 15.297 0.654 7.203 1.00 0.00 C ATOM 352 CE1 HIS 1 25 16.134 2.642 6.834 1.00 0.00 C ATOM 353 NE2 HIS 1 25 16.022 1.629 7.740 1.00 0.00 N ATOM 0 H HIS 1 25 13.691 -1.482 2.781 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.528 -1.245 5.110 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.195 0.853 3.955 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.068 0.334 5.192 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 15.038 -0.278 7.683 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 16.665 3.571 6.983 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 16.428 1.621 8.676 1.00 0.00 H new ATOM 362 N VAL 1 26 13.373 -3.254 4.687 1.00 0.00 N ATOM 363 CA VAL 1 26 12.514 -4.292 5.229 1.00 0.00 C ATOM 364 C VAL 1 26 12.828 -4.487 6.714 1.00 0.00 C ATOM 365 O VAL 1 26 13.982 -4.700 7.084 1.00 0.00 O ATOM 366 CB VAL 1 26 12.666 -5.577 4.412 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.135 -5.848 4.085 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.037 -6.767 5.139 1.00 0.00 C ATOM 0 H VAL 1 26 13.759 -3.458 3.765 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.467 -3.997 5.155 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.133 -5.440 3.471 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.215 -6.767 3.504 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.538 -5.017 3.507 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.700 -5.954 5.011 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.159 -7.667 4.537 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.528 -6.906 6.102 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.975 -6.577 5.297 1.00 0.00 H new ATOM 378 N THR 1 27 11.783 -4.407 7.524 1.00 0.00 N ATOM 379 CA THR 1 27 11.934 -4.571 8.959 1.00 0.00 C ATOM 380 C THR 1 27 10.573 -4.810 9.615 1.00 0.00 C ATOM 381 O THR 1 27 9.543 -4.396 9.084 1.00 0.00 O ATOM 382 CB THR 1 27 12.663 -3.340 9.503 1.00 0.00 C ATOM 383 OG1 THR 1 27 13.919 -3.847 9.945 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.014 -2.790 10.774 1.00 0.00 C ATOM 0 H THR 1 27 10.828 -4.231 7.213 1.00 0.00 H new ATOM 0 HA THR 1 27 12.532 -5.451 9.195 1.00 0.00 H new ATOM 0 HB THR 1 27 12.682 -2.562 8.740 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.366 -4.306 9.203 1.00 0.00 H new ATOM 0 HG21 THR 1 27 12.570 -1.918 11.118 1.00 0.00 H new ATOM 0 HG22 THR 1 27 10.984 -2.503 10.562 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.025 -3.556 11.549 1.00 0.00 H new ATOM 392 N PRO 1 28 10.613 -5.496 10.789 1.00 0.00 N ATOM 393 CA PRO 1 28 9.394 -5.795 11.522 1.00 0.00 C ATOM 394 C PRO 1 28 8.860 -4.547 12.229 1.00 0.00 C ATOM 395 O PRO 1 28 8.603 -4.572 13.431 1.00 0.00 O ATOM 396 CB PRO 1 28 9.779 -6.904 12.487 1.00 0.00 C ATOM 397 CG PRO 1 28 11.295 -6.865 12.585 1.00 0.00 C ATOM 398 CD PRO 1 28 11.814 -6.001 11.446 1.00 0.00 C ATOM 0 HA PRO 1 28 8.579 -6.114 10.872 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.321 -6.748 13.464 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.436 -7.873 12.125 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 11.605 -6.456 13.546 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.708 -7.872 12.519 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.435 -5.186 11.818 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.428 -6.581 10.757 1.00 0.00 H new ATOM 406 N LYS 1 29 8.708 -3.485 11.451 1.00 0.00 N ATOM 407 CA LYS 1 29 8.209 -2.230 11.987 1.00 0.00 C ATOM 408 C LYS 1 29 8.222 -1.169 10.886 1.00 0.00 C ATOM 409 O LYS 1 29 7.501 -0.175 10.967 1.00 0.00 O ATOM 410 CB LYS 1 29 8.996 -1.830 13.236 1.00 0.00 C ATOM 411 CG LYS 1 29 8.075 -1.214 14.291 1.00 0.00 C ATOM 412 CD LYS 1 29 8.053 -2.064 15.563 1.00 0.00 C ATOM 413 CE LYS 1 29 9.084 -1.562 16.576 1.00 0.00 C ATOM 414 NZ LYS 1 29 10.136 -2.580 16.793 1.00 0.00 N ATOM 0 H LYS 1 29 8.922 -3.468 10.454 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.174 -2.339 12.312 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.496 -2.705 13.651 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 9.775 -1.116 12.966 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 8.412 -0.205 14.529 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 7.065 -1.126 13.891 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 7.058 -2.035 16.007 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 8.260 -3.104 15.313 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 9.534 -0.636 16.217 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 8.592 -1.332 17.521 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 10.827 -2.223 17.483 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 9.704 -3.454 17.156 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 10.617 -2.780 15.893 1.00 0.00 H new ATOM 428 N GLU 1 30 9.049 -1.415 9.880 1.00 0.00 N ATOM 429 CA GLU 1 30 9.165 -0.493 8.763 1.00 0.00 C ATOM 430 C GLU 1 30 8.261 -0.937 7.612 1.00 0.00 C ATOM 431 O GLU 1 30 7.573 -0.118 7.006 1.00 0.00 O ATOM 432 CB GLU 1 30 10.618 -0.370 8.303 1.00 0.00 C ATOM 433 CG GLU 1 30 11.163 1.034 8.575 1.00 0.00 C ATOM 434 CD GLU 1 30 11.012 1.403 10.052 1.00 0.00 C ATOM 435 OE1 GLU 1 30 11.062 0.467 10.879 1.00 0.00 O ATOM 436 OE2 GLU 1 30 10.853 2.613 10.321 1.00 0.00 O ATOM 0 H GLU 1 30 9.645 -2.240 9.815 1.00 0.00 H new ATOM 0 HA GLU 1 30 8.839 0.493 9.095 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.231 -1.108 8.821 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 10.686 -0.590 7.238 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.214 1.082 8.290 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 10.632 1.760 7.959 1.00 0.00 H new ATOM 443 N CYS 1 31 8.292 -2.235 7.344 1.00 0.00 N ATOM 444 CA CYS 1 31 7.484 -2.799 6.276 1.00 0.00 C ATOM 445 C CYS 1 31 6.021 -2.433 6.536 1.00 0.00 C ATOM 446 O CYS 1 31 5.345 -1.901 5.657 1.00 0.00 O ATOM 447 CB CYS 1 31 7.682 -4.311 6.154 1.00 0.00 C ATOM 448 SG CYS 1 31 9.235 -4.818 5.329 1.00 0.00 S ATOM 0 H CYS 1 31 8.864 -2.912 7.848 1.00 0.00 H new ATOM 0 HA CYS 1 31 7.798 -2.380 5.320 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.658 -4.748 7.152 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.841 -4.730 5.602 1.00 0.00 H new ATOM 453 N ASN 1 32 5.576 -2.733 7.747 1.00 0.00 N ATOM 454 CA ASN 1 32 4.207 -2.444 8.134 1.00 0.00 C ATOM 455 C ASN 1 32 4.010 -0.928 8.203 1.00 0.00 C ATOM 456 O ASN 1 32 2.903 -0.452 8.450 1.00 0.00 O ATOM 457 CB ASN 1 32 3.889 -3.023 9.514 1.00 0.00 C ATOM 458 CG ASN 1 32 3.195 -4.381 9.392 1.00 0.00 C ATOM 459 OD1 ASN 1 32 3.899 -5.291 8.725 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.093 -4.590 9.873 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.140 -3.174 8.473 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.546 -2.894 7.393 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 4.809 -3.131 10.088 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.250 -2.332 10.064 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 1.606 -3.847 10.374 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 1.659 -5.508 9.774 1.00 0.00 H new ATOM 467 N ASN 1 33 5.101 -0.211 7.978 1.00 0.00 N ATOM 468 CA ASN 1 33 5.063 1.241 8.010 1.00 0.00 C ATOM 469 C ASN 1 33 5.026 1.778 6.578 1.00 0.00 C ATOM 470 O ASN 1 33 4.409 2.809 6.315 1.00 0.00 O ATOM 471 CB ASN 1 33 6.307 1.810 8.696 1.00 0.00 C ATOM 472 CG ASN 1 33 5.989 3.129 9.402 1.00 0.00 C ATOM 473 OD1 ASN 1 33 4.845 3.523 9.552 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.064 3.790 9.824 1.00 0.00 N ATOM 0 H ASN 1 33 6.017 -0.609 7.773 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.175 1.542 8.566 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.690 1.090 9.419 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.093 1.969 7.958 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 6.957 4.683 10.305 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 7.995 3.404 9.666 1.00 0.00 H new ATOM 481 N ARG 1 34 5.693 1.055 5.691 1.00 0.00 N ATOM 482 CA ARG 1 34 5.744 1.446 4.293 1.00 0.00 C ATOM 483 C ARG 1 34 4.457 1.029 3.578 1.00 0.00 C ATOM 484 O ARG 1 34 4.093 1.611 2.557 1.00 0.00 O ATOM 485 CB ARG 1 34 6.941 0.808 3.586 1.00 0.00 C ATOM 486 CG ARG 1 34 8.159 0.756 4.509 1.00 0.00 C ATOM 487 CD ARG 1 34 9.370 1.432 3.860 1.00 0.00 C ATOM 488 NE ARG 1 34 10.057 2.295 4.846 1.00 0.00 N ATOM 489 CZ ARG 1 34 11.154 3.015 4.577 1.00 0.00 C ATOM 490 NH1 ARG 1 34 11.697 2.978 3.352 1.00 0.00 N ATOM 491 NH2 ARG 1 34 11.711 3.771 5.533 1.00 0.00 N ATOM 0 H ARG 1 34 6.203 0.200 5.914 1.00 0.00 H new ATOM 0 HA ARG 1 34 5.850 2.530 4.256 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 6.682 -0.200 3.263 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.184 1.378 2.689 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 7.926 1.249 5.453 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 8.399 -0.281 4.742 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.059 0.677 3.483 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.050 2.027 3.005 1.00 0.00 H new ATOM 0 HE ARG 1 34 9.671 2.345 5.789 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 11.275 2.401 2.624 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 12.532 3.526 3.148 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 11.300 3.798 6.466 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 12.546 4.319 5.328 1.00 0.00 H new ATOM 505 N GLY 1 35 3.803 0.025 4.144 1.00 0.00 N ATOM 506 CA GLY 1 35 2.564 -0.477 3.573 1.00 0.00 C ATOM 507 C GLY 1 35 2.702 -1.945 3.166 1.00 0.00 C ATOM 508 O GLY 1 35 1.992 -2.418 2.280 1.00 0.00 O ATOM 0 H GLY 1 35 4.107 -0.454 4.991 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 1.757 -0.371 4.298 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.292 0.121 2.703 1.00 0.00 H new ATOM 512 N CYS 1 36 3.622 -2.626 3.834 1.00 0.00 N ATOM 513 CA CYS 1 36 3.862 -4.031 3.554 1.00 0.00 C ATOM 514 C CYS 1 36 3.545 -4.835 4.817 1.00 0.00 C ATOM 515 O CYS 1 36 3.134 -4.270 5.829 1.00 0.00 O ATOM 516 CB CYS 1 36 5.293 -4.275 3.068 1.00 0.00 C ATOM 517 SG CYS 1 36 5.845 -3.165 1.721 1.00 0.00 S ATOM 0 H CYS 1 36 4.210 -2.231 4.568 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.211 -4.358 2.743 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 5.973 -4.164 3.913 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.375 -5.307 2.726 1.00 0.00 H new ATOM 522 N CYS 1 37 3.748 -6.140 4.716 1.00 0.00 N ATOM 523 CA CYS 1 37 3.488 -7.027 5.838 1.00 0.00 C ATOM 524 C CYS 1 37 4.738 -7.875 6.079 1.00 0.00 C ATOM 525 O CYS 1 37 5.209 -8.564 5.175 1.00 0.00 O ATOM 526 CB CYS 1 37 2.248 -7.891 5.600 1.00 0.00 C ATOM 527 SG CYS 1 37 1.417 -8.476 7.122 1.00 0.00 S ATOM 0 H CYS 1 37 4.089 -6.605 3.875 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.273 -6.438 6.729 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.532 -7.320 5.009 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.535 -8.757 5.004 1.00 0.00 H new ATOM 532 N PHE 1 38 5.239 -7.798 7.302 1.00 0.00 N ATOM 533 CA PHE 1 38 6.425 -8.550 7.674 1.00 0.00 C ATOM 534 C PHE 1 38 6.055 -9.949 8.170 1.00 0.00 C ATOM 535 O PHE 1 38 5.291 -10.092 9.123 1.00 0.00 O ATOM 536 CB PHE 1 38 7.105 -7.783 8.811 1.00 0.00 C ATOM 537 CG PHE 1 38 8.450 -8.369 9.240 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.576 -8.083 8.530 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.523 -9.177 10.332 1.00 0.00 C ATOM 540 CE1 PHE 1 38 10.825 -8.627 8.930 1.00 0.00 C ATOM 541 CE2 PHE 1 38 9.773 -9.722 10.730 1.00 0.00 C ATOM 542 CZ PHE 1 38 10.897 -9.435 10.021 1.00 0.00 C ATOM 0 H PHE 1 38 4.845 -7.226 8.049 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.080 -8.661 6.810 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.254 -6.749 8.500 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.437 -7.764 9.672 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.519 -7.442 7.662 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 7.631 -9.404 10.896 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.718 -8.399 8.367 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 9.830 -10.365 11.596 1.00 0.00 H new ATOM 0 HZ PHE 1 38 11.847 -9.849 10.325 1.00 0.00 H new ATOM 552 N ASP 1 39 6.614 -10.947 7.501 1.00 0.00 N ATOM 553 CA ASP 1 39 6.350 -12.330 7.862 1.00 0.00 C ATOM 554 C ASP 1 39 7.393 -12.793 8.882 1.00 0.00 C ATOM 555 O ASP 1 39 7.153 -12.735 10.088 1.00 0.00 O ATOM 556 CB ASP 1 39 6.448 -13.246 6.640 1.00 0.00 C ATOM 557 CG ASP 1 39 6.468 -14.743 6.954 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.390 -15.262 7.316 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.561 -15.335 6.824 1.00 0.00 O ATOM 0 H ASP 1 39 7.248 -10.826 6.711 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.343 -12.385 8.275 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.604 -13.040 5.981 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.353 -12.994 6.087 1.00 0.00 H new ATOM 564 N SER 1 40 8.525 -13.241 8.363 1.00 0.00 N ATOM 565 CA SER 1 40 9.604 -13.713 9.214 1.00 0.00 C ATOM 566 C SER 1 40 9.454 -15.215 9.464 1.00 0.00 C ATOM 567 O SER 1 40 10.415 -15.883 9.842 1.00 0.00 O ATOM 568 CB SER 1 40 9.630 -12.954 10.542 1.00 0.00 C ATOM 569 OG SER 1 40 10.946 -12.863 11.081 1.00 0.00 O ATOM 0 H SER 1 40 8.719 -13.288 7.363 1.00 0.00 H new ATOM 0 HA SER 1 40 10.549 -13.529 8.703 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.229 -11.951 10.394 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.979 -13.455 11.258 1.00 0.00 H new ATOM 0 HG SER 1 40 11.181 -11.921 11.213 1.00 0.00 H new ATOM 575 N ARG 1 41 8.241 -15.701 9.242 1.00 0.00 N ATOM 576 CA ARG 1 41 7.954 -17.112 9.439 1.00 0.00 C ATOM 577 C ARG 1 41 8.875 -17.968 8.566 1.00 0.00 C ATOM 578 O ARG 1 41 9.442 -18.952 9.037 1.00 0.00 O ATOM 579 CB ARG 1 41 6.497 -17.430 9.095 1.00 0.00 C ATOM 580 CG ARG 1 41 5.539 -16.574 9.926 1.00 0.00 C ATOM 581 CD ARG 1 41 4.161 -17.232 10.025 1.00 0.00 C ATOM 582 NE ARG 1 41 3.632 -17.502 8.670 1.00 0.00 N ATOM 583 CZ ARG 1 41 2.413 -18.006 8.426 1.00 0.00 C ATOM 584 NH1 ARG 1 41 1.593 -18.297 9.445 1.00 0.00 N ATOM 585 NH2 ARG 1 41 2.017 -18.220 7.164 1.00 0.00 N ATOM 0 H ARG 1 41 7.447 -15.143 8.928 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.127 -17.342 10.490 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.323 -17.252 8.034 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.298 -18.486 9.278 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.949 -16.429 10.925 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.443 -15.587 9.474 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 4.232 -18.162 10.589 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.476 -16.581 10.569 1.00 0.00 H new ATOM 0 HE ARG 1 41 4.231 -17.292 7.872 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 1.896 -18.135 10.405 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 0.666 -18.680 9.260 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 2.642 -18.000 6.389 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 1.090 -18.603 6.978 1.00 0.00 H new ATOM 599 N ILE 1 42 8.994 -17.560 7.311 1.00 0.00 N ATOM 600 CA ILE 1 42 9.837 -18.277 6.369 1.00 0.00 C ATOM 601 C ILE 1 42 10.918 -17.335 5.837 1.00 0.00 C ATOM 602 O ILE 1 42 10.615 -16.372 5.133 1.00 0.00 O ATOM 603 CB ILE 1 42 8.986 -18.919 5.271 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.546 -19.129 5.745 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.621 -20.221 4.775 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.742 -19.931 4.719 1.00 0.00 C ATOM 0 H ILE 1 42 8.521 -16.743 6.925 1.00 0.00 H new ATOM 0 HA ILE 1 42 10.349 -19.100 6.867 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.950 -18.234 4.424 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.547 -19.652 6.701 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 7.069 -18.163 5.911 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.996 -20.657 3.995 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.612 -20.012 4.372 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.708 -20.923 5.605 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.723 -20.066 5.081 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.723 -19.393 3.771 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.207 -20.906 4.574 1.00 0.00 H new ATOM 618 N PRO 1 43 12.188 -17.652 6.203 1.00 0.00 N ATOM 619 CA PRO 1 43 13.316 -16.844 5.771 1.00 0.00 C ATOM 620 C PRO 1 43 13.640 -17.099 4.297 1.00 0.00 C ATOM 621 O PRO 1 43 14.499 -16.433 3.723 1.00 0.00 O ATOM 622 CB PRO 1 43 14.453 -17.225 6.704 1.00 0.00 C ATOM 623 CG PRO 1 43 14.060 -18.558 7.318 1.00 0.00 C ATOM 624 CD PRO 1 43 12.583 -18.784 7.036 1.00 0.00 C ATOM 0 HA PRO 1 43 13.114 -15.774 5.828 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.394 -17.308 6.160 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.596 -16.467 7.474 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.657 -19.365 6.893 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.247 -18.554 8.392 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.418 -19.731 6.522 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 12.004 -18.818 7.959 1.00 0.00 H new ATOM 632 N GLY 1 44 12.934 -18.065 3.727 1.00 0.00 N ATOM 633 CA GLY 1 44 13.135 -18.416 2.332 1.00 0.00 C ATOM 634 C GLY 1 44 12.127 -17.697 1.435 1.00 0.00 C ATOM 635 O GLY 1 44 12.187 -17.812 0.212 1.00 0.00 O ATOM 0 H GLY 1 44 12.222 -18.615 4.207 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 14.149 -18.153 2.030 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 13.035 -19.494 2.207 1.00 0.00 H new ATOM 639 N VAL 1 45 11.225 -16.970 2.077 1.00 0.00 N ATOM 640 CA VAL 1 45 10.205 -16.232 1.351 1.00 0.00 C ATOM 641 C VAL 1 45 10.336 -14.741 1.671 1.00 0.00 C ATOM 642 O VAL 1 45 11.224 -14.340 2.421 1.00 0.00 O ATOM 643 CB VAL 1 45 8.819 -16.794 1.679 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.877 -18.309 1.886 1.00 0.00 C ATOM 645 CG2 VAL 1 45 8.220 -16.095 2.901 1.00 0.00 C ATOM 0 H VAL 1 45 11.179 -16.876 3.092 1.00 0.00 H new ATOM 0 HA VAL 1 45 10.342 -16.348 0.276 1.00 0.00 H new ATOM 0 HB VAL 1 45 8.167 -16.598 0.828 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.880 -18.683 2.118 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 9.242 -18.787 0.977 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 9.551 -18.538 2.711 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 7.236 -16.512 3.113 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.871 -16.246 3.762 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 8.126 -15.028 2.700 1.00 0.00 H new ATOM 655 N PRO 1 46 9.415 -13.941 1.070 1.00 0.00 N ATOM 656 CA PRO 1 46 9.420 -12.504 1.283 1.00 0.00 C ATOM 657 C PRO 1 46 8.872 -12.153 2.667 1.00 0.00 C ATOM 658 O PRO 1 46 7.705 -12.411 2.961 1.00 0.00 O ATOM 659 CB PRO 1 46 8.579 -11.936 0.149 1.00 0.00 C ATOM 660 CG PRO 1 46 7.756 -13.098 -0.382 1.00 0.00 C ATOM 661 CD PRO 1 46 8.348 -14.383 0.175 1.00 0.00 C ATOM 0 HA PRO 1 46 10.424 -12.080 1.269 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.935 -11.132 0.505 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.211 -11.515 -0.633 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.713 -12.996 -0.081 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.773 -13.111 -1.472 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.598 -14.965 0.710 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.736 -15.018 -0.621 1.00 0.00 H new ATOM 669 N TRP 1 47 9.740 -11.570 3.481 1.00 0.00 N ATOM 670 CA TRP 1 47 9.357 -11.181 4.828 1.00 0.00 C ATOM 671 C TRP 1 47 8.846 -9.740 4.777 1.00 0.00 C ATOM 672 O TRP 1 47 8.956 -9.002 5.755 1.00 0.00 O ATOM 673 CB TRP 1 47 10.521 -11.367 5.803 1.00 0.00 C ATOM 674 CG TRP 1 47 11.703 -12.144 5.221 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.829 -13.471 5.082 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.928 -11.585 4.700 1.00 0.00 C ATOM 677 NE1 TRP 1 47 13.041 -13.807 4.514 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.730 -12.623 4.275 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.343 -10.246 4.594 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.998 -12.431 3.712 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.612 -10.071 4.030 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.433 -11.105 3.596 1.00 0.00 C ATOM 0 H TRP 1 47 10.707 -11.358 3.234 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.558 -11.821 5.202 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.869 -10.387 6.128 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.159 -11.887 6.690 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 11.077 -14.187 5.377 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.371 -14.750 4.308 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.731 -9.418 4.922 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.607 -13.261 3.385 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 14.979 -9.061 3.925 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.402 -10.887 3.171 1.00 0.00 H new ATOM 693 N CYS 1 48 8.296 -9.382 3.625 1.00 0.00 N ATOM 694 CA CYS 1 48 7.768 -8.041 3.433 1.00 0.00 C ATOM 695 C CYS 1 48 6.997 -8.014 2.111 1.00 0.00 C ATOM 696 O CYS 1 48 7.595 -8.082 1.039 1.00 0.00 O ATOM 697 CB CYS 1 48 8.874 -6.986 3.471 1.00 0.00 C ATOM 698 SG CYS 1 48 8.282 -5.255 3.506 1.00 0.00 S ATOM 0 H CYS 1 48 8.205 -9.997 2.816 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.093 -7.792 4.252 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.494 -7.161 4.350 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.514 -7.119 2.599 1.00 0.00 H new ATOM 703 N PHE 1 49 5.682 -7.915 2.232 1.00 0.00 N ATOM 704 CA PHE 1 49 4.823 -7.878 1.061 1.00 0.00 C ATOM 705 C PHE 1 49 3.596 -6.999 1.307 1.00 0.00 C ATOM 706 O PHE 1 49 3.519 -6.303 2.320 1.00 0.00 O ATOM 707 CB PHE 1 49 4.363 -9.313 0.797 1.00 0.00 C ATOM 708 CG PHE 1 49 4.236 -10.167 2.061 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.353 -10.555 2.733 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.008 -10.539 2.510 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.236 -11.348 3.906 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.890 -11.332 3.683 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.007 -11.720 4.355 1.00 0.00 C ATOM 0 H PHE 1 49 5.190 -7.859 3.124 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.369 -7.463 0.214 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.399 -9.287 0.290 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.068 -9.791 0.117 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.328 -10.260 2.375 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.122 -10.232 1.975 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.122 -11.655 4.441 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.914 -11.626 4.041 1.00 0.00 H new ATOM 0 HZ PHE 1 49 3.918 -12.324 5.246 1.00 0.00 H new ATOM 723 N LYS 1 50 2.666 -7.058 0.366 1.00 0.00 N ATOM 724 CA LYS 1 50 1.446 -6.275 0.469 1.00 0.00 C ATOM 725 C LYS 1 50 0.240 -7.216 0.461 1.00 0.00 C ATOM 726 O LYS 1 50 -0.496 -7.278 -0.523 1.00 0.00 O ATOM 727 CB LYS 1 50 1.400 -5.207 -0.627 1.00 0.00 C ATOM 728 CG LYS 1 50 2.282 -5.602 -1.814 1.00 0.00 C ATOM 729 CD LYS 1 50 3.691 -5.027 -1.665 1.00 0.00 C ATOM 730 CE LYS 1 50 3.643 -3.537 -1.323 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.539 -2.873 -2.052 1.00 0.00 N ATOM 0 H LYS 1 50 2.732 -7.636 -0.472 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.421 -5.731 1.413 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.372 -5.069 -0.963 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.734 -4.251 -0.223 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.335 -6.688 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.834 -5.242 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.226 -5.566 -0.883 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.247 -5.173 -2.591 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.507 -3.409 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.592 -3.068 -1.582 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.799 -1.886 -2.252 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.364 -3.373 -2.947 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.677 -2.893 -1.470 1.00 0.00 H new ATOM 745 N PRO 1 51 0.069 -7.941 1.598 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.035 -8.875 1.731 1.00 0.00 C ATOM 747 C PRO 1 51 -2.354 -8.136 1.965 1.00 0.00 C ATOM 748 O PRO 1 51 -2.976 -7.655 1.020 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.648 -9.780 2.889 1.00 0.00 C ATOM 750 CG PRO 1 51 0.432 -9.035 3.657 1.00 0.00 C ATOM 751 CD PRO 1 51 0.921 -7.892 2.783 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.203 -9.459 0.826 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.507 -9.988 3.526 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.279 -10.740 2.528 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.037 -8.654 4.598 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.255 -9.705 3.905 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 0.831 -6.935 3.296 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 1.972 -8.016 2.521 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.741 -8.068 3.231 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.974 -7.396 3.601 1.00 0.00 C ATOM 761 C LEU 1 52 -3.664 -5.947 3.987 1.00 0.00 C ATOM 762 O LEU 1 52 -4.294 -5.392 4.885 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.705 -8.179 4.693 1.00 0.00 C ATOM 764 CG LEU 1 52 -4.271 -7.889 6.132 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -5.372 -7.152 6.898 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.839 -9.173 6.842 1.00 0.00 C ATOM 0 H LEU 1 52 -2.222 -8.468 4.013 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.658 -7.362 2.753 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.772 -7.973 4.608 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.570 -9.243 4.501 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.403 -7.230 6.102 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -5.039 -6.958 7.917 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.590 -6.207 6.401 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -6.272 -7.766 6.921 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.535 -8.940 7.863 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.672 -9.875 6.863 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -3.001 -9.620 6.307 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.694 -5.378 3.287 1.00 0.00 N ATOM 779 CA GLN 1 53 -2.293 -4.005 3.544 1.00 0.00 C ATOM 780 C GLN 1 53 -3.500 -3.070 3.439 1.00 0.00 C ATOM 781 O GLN 1 53 -3.509 -1.993 4.032 1.00 0.00 O ATOM 782 CB GLN 1 53 -1.179 -3.571 2.590 1.00 0.00 C ATOM 783 CG GLN 1 53 0.053 -4.468 2.740 1.00 0.00 C ATOM 784 CD GLN 1 53 0.577 -4.442 4.177 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.306 -3.553 4.584 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.166 -5.466 4.921 1.00 0.00 N ATOM 0 H GLN 1 53 -2.174 -5.842 2.542 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.900 -3.947 4.559 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.539 -3.611 1.562 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.906 -2.535 2.792 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 -0.201 -5.490 2.460 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 0.835 -4.135 2.058 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.444 -6.177 4.518 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.461 -5.540 5.894 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.489 -3.517 2.678 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.699 -2.734 2.488 1.00 0.00 C ATOM 797 C GLU 1 54 -6.123 -2.084 3.806 1.00 0.00 C ATOM 798 O GLU 1 54 -6.774 -1.041 3.806 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.824 -3.596 1.913 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.769 -4.072 3.019 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.880 -3.052 3.268 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.478 -2.607 2.264 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.108 -2.738 4.457 1.00 0.00 O ATOM 0 H GLU 1 54 -4.477 -4.411 2.186 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.488 -1.943 1.768 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.383 -3.024 1.173 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.400 -4.457 1.396 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -8.207 -5.031 2.741 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -7.206 -4.234 3.938 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.737 -2.727 4.898 1.00 0.00 N ATOM 811 CA ALA 1 55 -6.070 -2.225 6.220 1.00 0.00 C ATOM 812 C ALA 1 55 -5.898 -0.704 6.241 1.00 0.00 C ATOM 813 O ALA 1 55 -6.881 0.035 6.204 1.00 0.00 O ATOM 814 CB ALA 1 55 -5.200 -2.924 7.266 1.00 0.00 C ATOM 0 H ALA 1 55 -5.196 -3.592 4.894 1.00 0.00 H new ATOM 0 HA ALA 1 55 -7.110 -2.443 6.463 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -5.450 -2.547 8.258 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -5.380 -3.998 7.230 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -4.149 -2.725 7.057 1.00 0.00 H new ATOM 820 N GLU 1 56 -4.643 -0.283 6.299 1.00 0.00 N ATOM 821 CA GLU 1 56 -4.331 1.136 6.326 1.00 0.00 C ATOM 822 C GLU 1 56 -3.538 1.528 5.077 1.00 0.00 C ATOM 823 O GLU 1 56 -2.807 2.517 5.088 1.00 0.00 O ATOM 824 CB GLU 1 56 -3.568 1.505 7.599 1.00 0.00 C ATOM 825 CG GLU 1 56 -4.220 2.697 8.303 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.193 3.797 8.585 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -2.322 3.996 7.712 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -3.304 4.411 9.668 1.00 0.00 O ATOM 0 H GLU 1 56 -3.831 -0.899 6.328 1.00 0.00 H new ATOM 0 HA GLU 1 56 -5.267 1.695 6.329 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -3.543 0.649 8.273 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.534 1.746 7.351 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -5.023 3.095 7.683 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -4.672 2.368 9.239 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.708 0.731 4.032 1.00 0.00 N ATOM 836 CA CYS 1 57 -3.017 0.982 2.779 1.00 0.00 C ATOM 837 C CYS 1 57 -4.002 1.641 1.812 1.00 0.00 C ATOM 838 O CYS 1 57 -3.923 2.843 1.562 1.00 0.00 O ATOM 839 CB CYS 1 57 -2.417 -0.299 2.198 1.00 0.00 C ATOM 840 SG CYS 1 57 -1.207 -0.037 0.850 1.00 0.00 S ATOM 0 H CYS 1 57 -4.314 -0.089 4.028 1.00 0.00 H new ATOM 0 HA CYS 1 57 -2.175 1.653 2.952 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.931 -0.853 3.001 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -3.227 -0.926 1.824 1.00 0.00 H new ATOM 845 N THR 1 58 -4.908 0.825 1.292 1.00 0.00 N ATOM 846 CA THR 1 58 -5.907 1.314 0.358 1.00 0.00 C ATOM 847 C THR 1 58 -6.747 2.419 1.003 1.00 0.00 C ATOM 848 O THR 1 58 -7.302 3.267 0.307 1.00 0.00 O ATOM 849 CB THR 1 58 -6.737 0.119 -0.116 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.465 0.622 -1.233 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.821 -0.276 0.888 1.00 0.00 C ATOM 0 H THR 1 58 -4.971 -0.172 1.500 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.441 1.771 -0.515 1.00 0.00 H new ATOM 0 HB THR 1 58 -6.079 -0.732 -0.293 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -8.426 0.543 -1.059 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.380 -1.129 0.503 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.357 -0.545 1.837 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.499 0.564 1.041 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.811 2.372 2.324 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.572 3.359 3.072 1.00 0.00 C ATOM 861 C PHE 1 59 -7.575 4.709 2.353 1.00 0.00 C ATOM 862 O PHE 1 59 -6.527 5.334 2.195 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.887 3.519 4.430 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.833 3.929 5.561 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.322 5.197 5.611 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -8.184 3.026 6.515 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.201 5.578 6.659 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -9.062 3.407 7.564 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.552 4.675 7.614 1.00 0.00 C ATOM 0 H PHE 1 59 -6.349 1.666 2.897 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.606 3.030 3.175 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.406 2.578 4.696 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -6.098 4.266 4.342 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -8.042 5.914 4.854 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -7.795 2.019 6.475 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -9.591 6.584 6.698 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -9.341 2.690 8.322 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -10.220 4.965 8.412 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -21.073 -0.930 2.881 1.00 0.00 N ATOM 881 CA GLU 2 1 -19.724 -0.962 2.341 1.00 0.00 C ATOM 882 C GLU 2 1 -19.612 -0.023 1.139 1.00 0.00 C ATOM 883 O GLU 2 1 -19.617 -0.470 -0.007 1.00 0.00 O ATOM 884 CB GLU 2 1 -19.320 -2.389 1.961 1.00 0.00 C ATOM 885 CG GLU 2 1 -18.741 -3.132 3.166 1.00 0.00 C ATOM 886 CD GLU 2 1 -19.763 -3.219 4.301 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -20.904 -3.634 4.006 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -19.380 -2.866 5.437 1.00 0.00 O ATOM 0 H1 GLU 2 1 -21.087 -0.353 3.746 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -21.718 -0.516 2.178 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -21.380 -1.898 3.105 1.00 0.00 H new ATOM 0 HA GLU 2 1 -19.036 -0.617 3.113 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -20.188 -2.927 1.579 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -18.584 -2.361 1.158 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -18.438 -4.136 2.867 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -17.845 -2.620 3.517 1.00 0.00 H new ATOM 895 N GLU 2 2 -19.513 1.264 1.441 1.00 0.00 N ATOM 896 CA GLU 2 2 -19.399 2.270 0.400 1.00 0.00 C ATOM 897 C GLU 2 2 -17.931 2.479 0.021 1.00 0.00 C ATOM 898 O GLU 2 2 -17.348 3.517 0.331 1.00 0.00 O ATOM 899 CB GLU 2 2 -20.045 3.587 0.837 1.00 0.00 C ATOM 900 CG GLU 2 2 -21.571 3.467 0.863 1.00 0.00 C ATOM 901 CD GLU 2 2 -22.229 4.846 0.784 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -22.372 5.343 -0.353 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -22.576 5.370 1.865 1.00 0.00 O ATOM 0 H GLU 2 2 -19.509 1.632 2.392 1.00 0.00 H new ATOM 0 HA GLU 2 2 -19.934 1.915 -0.481 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -19.681 3.864 1.827 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -19.751 4.385 0.155 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -21.906 2.852 0.028 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -21.884 2.962 1.777 1.00 0.00 H new ATOM 910 N TYR 2 3 -17.377 1.476 -0.645 1.00 0.00 N ATOM 911 CA TYR 2 3 -15.989 1.537 -1.068 1.00 0.00 C ATOM 912 C TYR 2 3 -15.865 2.190 -2.446 1.00 0.00 C ATOM 913 O TYR 2 3 -15.570 1.516 -3.433 1.00 0.00 O ATOM 914 CB TYR 2 3 -15.512 0.086 -1.160 1.00 0.00 C ATOM 915 CG TYR 2 3 -15.469 -0.641 0.185 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -15.099 0.042 1.326 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -15.799 -1.979 0.257 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -15.058 -0.642 2.592 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -15.758 -2.663 1.523 1.00 0.00 C ATOM 920 CZ TYR 2 3 -15.389 -1.961 2.629 1.00 0.00 C ATOM 921 OH TYR 2 3 -15.350 -2.608 3.825 1.00 0.00 O ATOM 0 H TYR 2 3 -17.864 0.617 -0.902 1.00 0.00 H new ATOM 0 HA TYR 2 3 -15.399 2.127 -0.367 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -16.170 -0.460 -1.836 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -14.516 0.069 -1.603 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -14.840 1.089 1.269 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -16.088 -2.513 -0.636 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -14.771 -0.120 3.493 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -16.014 -3.710 1.594 1.00 0.00 H new ATOM 0 HH TYR 2 3 -15.612 -3.544 3.699 1.00 0.00 H new ATOM 931 N VAL 2 4 -16.096 3.495 -2.471 1.00 0.00 N ATOM 932 CA VAL 2 4 -16.014 4.247 -3.711 1.00 0.00 C ATOM 933 C VAL 2 4 -15.011 5.390 -3.545 1.00 0.00 C ATOM 934 O VAL 2 4 -14.131 5.575 -4.384 1.00 0.00 O ATOM 935 CB VAL 2 4 -17.406 4.728 -4.125 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -18.328 3.545 -4.426 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -18.012 5.637 -3.053 1.00 0.00 C ATOM 0 H VAL 2 4 -16.340 4.051 -1.651 1.00 0.00 H new ATOM 0 HA VAL 2 4 -15.651 3.612 -4.519 1.00 0.00 H new ATOM 0 HB VAL 2 4 -17.301 5.311 -5.040 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -19.311 3.915 -4.718 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -17.907 2.953 -5.239 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -18.424 2.923 -3.536 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -19.001 5.965 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -18.096 5.088 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -17.370 6.506 -2.908 1.00 0.00 H new ATOM 947 N GLY 2 5 -15.177 6.126 -2.456 1.00 0.00 N ATOM 948 CA GLY 2 5 -14.297 7.246 -2.168 1.00 0.00 C ATOM 949 C GLY 2 5 -12.905 6.759 -1.761 1.00 0.00 C ATOM 950 O GLY 2 5 -12.026 7.564 -1.458 1.00 0.00 O ATOM 0 H GLY 2 5 -15.908 5.969 -1.762 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -14.219 7.887 -3.046 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -14.723 7.851 -1.368 1.00 0.00 H new ATOM 954 N LEU 2 6 -12.748 5.444 -1.768 1.00 0.00 N ATOM 955 CA LEU 2 6 -11.477 4.839 -1.403 1.00 0.00 C ATOM 956 C LEU 2 6 -11.083 3.811 -2.465 1.00 0.00 C ATOM 957 O LEU 2 6 -10.136 3.049 -2.275 1.00 0.00 O ATOM 958 CB LEU 2 6 -11.544 4.266 0.014 1.00 0.00 C ATOM 959 CG LEU 2 6 -12.814 3.488 0.364 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -14.016 4.427 0.483 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -13.063 2.363 -0.643 1.00 0.00 C ATOM 0 H LEU 2 6 -13.480 4.780 -2.021 1.00 0.00 H new ATOM 0 HA LEU 2 6 -10.689 5.592 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -10.687 3.608 0.159 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -11.439 5.088 0.722 1.00 0.00 H new ATOM 0 HG LEU 2 6 -12.671 3.022 1.339 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -14.906 3.849 0.732 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -13.828 5.161 1.267 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -14.171 4.941 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -13.972 1.826 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -13.177 2.786 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -12.218 1.674 -0.635 1.00 0.00 H new ATOM 973 N SER 2 7 -11.829 3.822 -3.560 1.00 0.00 N ATOM 974 CA SER 2 7 -11.569 2.901 -4.653 1.00 0.00 C ATOM 975 C SER 2 7 -10.936 3.647 -5.828 1.00 0.00 C ATOM 976 O SER 2 7 -10.453 4.767 -5.669 1.00 0.00 O ATOM 977 CB SER 2 7 -12.853 2.199 -5.098 1.00 0.00 C ATOM 978 OG SER 2 7 -13.684 3.054 -5.879 1.00 0.00 O ATOM 0 H SER 2 7 -12.614 4.455 -3.714 1.00 0.00 H new ATOM 0 HA SER 2 7 -10.874 2.139 -4.300 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -12.599 1.311 -5.678 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -13.404 1.860 -4.221 1.00 0.00 H new ATOM 0 HG SER 2 7 -13.775 3.921 -5.431 1.00 0.00 H new ATOM 984 N ALA 2 8 -10.958 2.996 -6.982 1.00 0.00 N ATOM 985 CA ALA 2 8 -10.391 3.584 -8.184 1.00 0.00 C ATOM 986 C ALA 2 8 -11.107 4.902 -8.487 1.00 0.00 C ATOM 987 O ALA 2 8 -12.049 4.935 -9.276 1.00 0.00 O ATOM 988 CB ALA 2 8 -10.495 2.586 -9.339 1.00 0.00 C ATOM 0 H ALA 2 8 -11.360 2.067 -7.110 1.00 0.00 H new ATOM 0 HA ALA 2 8 -9.334 3.807 -8.040 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -10.070 3.027 -10.240 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -9.947 1.678 -9.086 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -11.542 2.341 -9.515 1.00 0.00 H new ATOM 994 N ASN 2 9 -10.630 5.959 -7.842 1.00 0.00 N ATOM 995 CA ASN 2 9 -11.212 7.276 -8.034 1.00 0.00 C ATOM 996 C ASN 2 9 -10.683 8.224 -6.955 1.00 0.00 C ATOM 997 O ASN 2 9 -10.539 9.422 -7.193 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.737 7.228 -7.914 1.00 0.00 C ATOM 999 CG ASN 2 9 -13.404 7.794 -9.169 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -14.160 7.128 -9.855 1.00 0.00 O ATOM 1001 ND2 ASN 2 9 -13.084 9.059 -9.427 1.00 0.00 N ATOM 0 H ASN 2 9 -9.848 5.929 -7.187 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.940 7.623 -9.031 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -13.061 6.199 -7.758 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -13.055 7.798 -7.041 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -13.479 9.529 -10.242 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -12.444 9.559 -8.810 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.408 7.651 -5.793 1.00 0.00 N ATOM 1009 CA GLN 2 10 -9.899 8.429 -4.677 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.519 8.999 -5.013 1.00 0.00 C ATOM 1011 O GLN 2 10 -8.142 10.057 -4.513 1.00 0.00 O ATOM 1012 CB GLN 2 10 -9.847 7.588 -3.399 1.00 0.00 C ATOM 1013 CG GLN 2 10 -9.465 8.448 -2.192 1.00 0.00 C ATOM 1014 CD GLN 2 10 -9.518 7.630 -0.899 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -8.744 6.548 -0.911 1.00 0.00 O flip ATOM 1016 NE2 GLN 2 10 -10.215 7.961 0.045 1.00 0.00 N flip ATOM 0 H GLN 2 10 -10.528 6.657 -5.600 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.581 9.260 -4.499 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -10.817 7.123 -3.226 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -9.124 6.782 -3.519 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -8.462 8.851 -2.331 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -10.143 9.298 -2.117 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -10.785 8.805 -0.013 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -10.228 7.394 0.893 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.803 8.271 -5.859 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.474 8.691 -6.269 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.616 9.915 -7.176 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.618 10.482 -7.619 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.709 7.557 -6.954 1.00 0.00 C ATOM 1030 SG CYS 2 11 -4.043 8.012 -7.558 1.00 0.00 S ATOM 0 H CYS 2 11 -8.119 7.393 -6.271 1.00 0.00 H new ATOM 0 HA CYS 2 11 -5.886 8.958 -5.391 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.612 6.728 -6.253 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -6.299 7.196 -7.796 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.863 10.288 -7.425 1.00 0.00 N ATOM 1036 CA ALA 2 12 -8.147 11.434 -8.270 1.00 0.00 C ATOM 1037 C ALA 2 12 -8.883 12.496 -7.452 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.402 13.464 -8.007 1.00 0.00 O ATOM 1039 CB ALA 2 12 -8.948 10.980 -9.492 1.00 0.00 C ATOM 0 H ALA 2 12 -8.688 9.816 -7.056 1.00 0.00 H new ATOM 0 HA ALA 2 12 -7.222 11.882 -8.634 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -9.162 11.840 -10.127 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -8.369 10.248 -10.055 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -9.885 10.528 -9.166 1.00 0.00 H new ATOM 1045 N VAL 2 13 -8.907 12.280 -6.145 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.571 13.206 -5.244 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.213 14.640 -5.639 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.303 14.859 -6.438 1.00 0.00 O ATOM 1049 CB VAL 2 13 -9.210 12.877 -3.795 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.268 13.932 -3.211 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.468 12.730 -2.936 1.00 0.00 C ATOM 0 H VAL 2 13 -8.477 11.476 -5.688 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.653 13.107 -5.325 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.687 11.921 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -8.027 13.674 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.351 13.967 -3.800 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -8.754 14.908 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -10.183 12.496 -1.910 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -11.031 13.663 -2.952 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -11.088 11.926 -3.333 1.00 0.00 H new ATOM 1061 N PRO 2 14 -9.966 15.604 -5.047 1.00 0.00 N ATOM 1062 CA PRO 2 14 -9.736 17.011 -5.328 1.00 0.00 C ATOM 1063 C PRO 2 14 -8.474 17.514 -4.622 1.00 0.00 C ATOM 1064 O PRO 2 14 -8.367 18.696 -4.301 1.00 0.00 O ATOM 1065 CB PRO 2 14 -10.999 17.717 -4.861 1.00 0.00 C ATOM 1066 CG PRO 2 14 -11.692 16.750 -3.915 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.051 15.383 -4.095 1.00 0.00 C ATOM 0 HA PRO 2 14 -9.555 17.204 -6.385 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -10.759 18.653 -4.356 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -11.642 17.966 -5.705 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -11.591 17.086 -2.883 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -12.759 16.703 -4.131 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -10.674 14.995 -3.149 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -11.769 14.656 -4.475 1.00 0.00 H new ATOM 1075 N ALA 2 15 -7.552 16.589 -4.402 1.00 0.00 N ATOM 1076 CA ALA 2 15 -6.302 16.922 -3.739 1.00 0.00 C ATOM 1077 C ALA 2 15 -6.600 17.724 -2.470 1.00 0.00 C ATOM 1078 O ALA 2 15 -6.244 18.896 -2.374 1.00 0.00 O ATOM 1079 CB ALA 2 15 -5.398 17.684 -4.710 1.00 0.00 C ATOM 0 H ALA 2 15 -7.645 15.609 -4.671 1.00 0.00 H new ATOM 0 HA ALA 2 15 -5.773 16.017 -3.440 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -4.460 17.934 -4.214 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -5.193 17.061 -5.581 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -5.896 18.600 -5.028 1.00 0.00 H new ATOM 1085 N LYS 2 16 -7.250 17.058 -1.527 1.00 0.00 N ATOM 1086 CA LYS 2 16 -7.600 17.692 -0.268 1.00 0.00 C ATOM 1087 C LYS 2 16 -8.429 16.721 0.574 1.00 0.00 C ATOM 1088 O LYS 2 16 -9.355 17.133 1.271 1.00 0.00 O ATOM 1089 CB LYS 2 16 -8.291 19.034 -0.518 1.00 0.00 C ATOM 1090 CG LYS 2 16 -9.348 18.909 -1.618 1.00 0.00 C ATOM 1091 CD LYS 2 16 -10.737 19.268 -1.087 1.00 0.00 C ATOM 1092 CE LYS 2 16 -11.414 18.048 -0.459 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -11.606 18.253 0.995 1.00 0.00 N ATOM 0 H LYS 2 16 -7.544 16.085 -1.610 1.00 0.00 H new ATOM 0 HA LYS 2 16 -6.702 17.924 0.304 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -8.758 19.384 0.403 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -7.550 19.781 -0.803 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -9.092 19.565 -2.450 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -9.355 17.891 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -10.653 20.064 -0.347 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -11.353 19.653 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -12.377 17.873 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -10.806 17.159 -0.630 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -12.354 17.618 1.339 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -10.718 18.046 1.495 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -11.881 19.240 1.173 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.067 15.449 0.482 1.00 0.00 N ATOM 1108 CA ASP 2 17 -8.767 14.417 1.228 1.00 0.00 C ATOM 1109 C ASP 2 17 -7.870 13.183 1.345 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.341 12.098 1.681 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.054 13.999 0.515 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.097 13.322 1.407 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -10.971 12.092 1.593 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.995 14.049 1.883 1.00 0.00 O ATOM 0 H ASP 2 17 -7.299 15.110 -0.097 1.00 0.00 H new ATOM 0 HA ASP 2 17 -9.014 14.819 2.211 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.504 14.882 0.062 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.797 13.320 -0.298 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.592 13.390 1.062 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.625 12.308 1.131 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.005 12.239 2.528 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.240 13.115 3.359 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.513 12.496 0.097 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.095 12.814 -1.282 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.248 13.863 -2.007 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.642 13.934 -3.432 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -3.886 14.483 -4.393 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.693 15.012 -4.087 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.323 14.503 -5.659 1.00 0.00 N ATOM 0 H ARG 2 18 -6.204 14.292 0.784 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.152 11.378 0.916 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -3.852 13.303 0.412 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -3.907 11.592 0.040 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.142 11.904 -1.879 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.117 13.178 -1.174 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.379 14.837 -1.536 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.191 13.609 -1.925 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.544 13.541 -3.699 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.361 14.997 -3.123 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.118 15.430 -4.818 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.231 14.101 -5.892 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.748 14.921 -6.391 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.228 11.188 2.744 1.00 0.00 N ATOM 1144 CA VAL 2 19 -3.574 10.992 4.027 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.117 11.450 3.926 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.287 11.079 4.755 1.00 0.00 O ATOM 1147 CB VAL 2 19 -3.712 9.533 4.468 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.068 9.312 5.838 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.179 9.100 4.474 1.00 0.00 C ATOM 0 H VAL 2 19 -4.036 10.463 2.052 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.054 11.597 4.797 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.183 8.912 3.746 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.180 8.267 6.128 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.009 9.563 5.787 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -3.556 9.948 6.576 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.250 8.059 4.791 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -5.741 9.729 5.164 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.593 9.203 3.471 1.00 0.00 H new ATOM 1159 N ASP 2 20 -1.851 12.251 2.905 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.509 12.764 2.685 1.00 0.00 C ATOM 1161 C ASP 2 20 0.511 11.746 3.197 1.00 0.00 C ATOM 1162 O ASP 2 20 0.999 11.861 4.320 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.290 14.075 3.443 1.00 0.00 C ATOM 1164 CG ASP 2 20 1.165 14.377 3.805 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.985 14.427 2.863 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 1.425 14.551 5.016 1.00 0.00 O ATOM 0 H ASP 2 20 -2.542 12.558 2.220 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.386 12.940 1.616 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -0.676 14.896 2.838 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -0.879 14.050 4.360 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.803 10.771 2.348 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.757 9.733 2.700 1.00 0.00 C ATOM 1173 C CYS 2 21 3.008 10.404 3.272 1.00 0.00 C ATOM 1174 O CYS 2 21 3.635 9.877 4.190 1.00 0.00 O ATOM 1175 CB CYS 2 21 2.086 8.837 1.504 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.295 7.065 1.908 1.00 0.00 S ATOM 0 H CYS 2 21 0.396 10.678 1.417 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.322 9.076 3.453 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.291 8.935 0.765 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 3.002 9.199 1.037 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.334 11.556 2.706 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.498 12.304 3.147 1.00 0.00 C ATOM 1183 C GLY 2 22 5.756 11.434 3.111 1.00 0.00 C ATOM 1184 O GLY 2 22 6.414 11.245 4.133 1.00 0.00 O ATOM 0 H GLY 2 22 2.812 11.990 1.945 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.637 13.177 2.509 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 4.335 12.672 4.160 1.00 0.00 H new ATOM 1188 N TYR 2 23 6.051 10.927 1.923 1.00 0.00 N ATOM 1189 CA TYR 2 23 7.219 10.080 1.740 1.00 0.00 C ATOM 1190 C TYR 2 23 8.444 10.911 1.357 1.00 0.00 C ATOM 1191 O TYR 2 23 8.341 11.848 0.566 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.877 9.134 0.587 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.743 7.668 1.004 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.872 6.894 1.173 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.494 7.120 1.210 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.747 5.514 1.565 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 5.368 5.741 1.602 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.501 5.005 1.760 1.00 0.00 C ATOM 1199 OH TYR 2 23 6.383 3.702 2.130 1.00 0.00 O ATOM 0 H TYR 2 23 5.502 11.086 1.078 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.455 9.548 2.661 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.942 9.458 0.130 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.650 9.215 -0.177 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 8.850 7.323 1.011 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.610 7.726 1.077 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 8.623 4.897 1.701 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 4.396 5.300 1.767 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.435 3.460 2.177 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.606 10.529 1.950 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.851 11.229 1.677 1.00 0.00 C ATOM 1211 C PRO 2 24 11.395 10.862 0.295 1.00 0.00 C ATOM 1212 O PRO 2 24 12.400 11.417 -0.147 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.784 10.826 2.809 1.00 0.00 C ATOM 1214 CG PRO 2 24 11.188 9.563 3.410 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.767 9.424 2.891 1.00 0.00 C ATOM 0 HA PRO 2 24 10.727 12.312 1.646 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.793 10.644 2.438 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.857 11.617 3.555 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.782 8.692 3.133 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 11.193 9.620 4.499 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.617 8.462 2.401 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 9.041 9.486 3.702 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.707 9.930 -0.349 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.109 9.484 -1.671 1.00 0.00 C ATOM 1225 C HIS 2 25 9.941 9.651 -2.646 1.00 0.00 C ATOM 1226 O HIS 2 25 9.968 9.110 -3.750 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.640 8.050 -1.623 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.956 7.857 -2.337 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 14.138 7.587 -1.670 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.263 7.898 -3.666 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 15.108 7.473 -2.567 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.564 7.666 -3.802 1.00 0.00 N ATOM 0 H HIS 2 25 9.874 9.472 0.021 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.931 10.102 -2.033 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.757 7.752 -0.581 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.898 7.384 -2.064 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 12.567 8.087 -4.470 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 16.146 7.264 -2.356 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.073 7.637 -4.686 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.946 10.404 -2.203 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.771 10.650 -3.022 1.00 0.00 C ATOM 1243 C VAL 2 26 8.200 10.832 -4.479 1.00 0.00 C ATOM 1244 O VAL 2 26 9.064 11.655 -4.778 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.993 11.849 -2.475 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.941 12.981 -2.072 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.955 12.337 -3.487 1.00 0.00 C ATOM 0 H VAL 2 26 8.929 10.852 -1.287 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.095 9.796 -2.985 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.462 11.523 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.362 13.820 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.624 12.626 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.513 13.304 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.416 13.189 -3.073 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.457 12.637 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.251 11.533 -3.703 1.00 0.00 H new ATOM 1257 N THR 2 27 7.577 10.048 -5.348 1.00 0.00 N ATOM 1258 CA THR 2 27 7.883 10.112 -6.766 1.00 0.00 C ATOM 1259 C THR 2 27 6.812 9.379 -7.577 1.00 0.00 C ATOM 1260 O THR 2 27 6.161 8.467 -7.070 1.00 0.00 O ATOM 1261 CB THR 2 27 9.292 9.550 -6.972 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.038 10.656 -7.470 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.352 8.521 -8.102 1.00 0.00 C ATOM 0 H THR 2 27 6.862 9.366 -5.096 1.00 0.00 H new ATOM 0 HA THR 2 27 7.872 11.141 -7.127 1.00 0.00 H new ATOM 0 HB THR 2 27 9.639 9.093 -6.045 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.028 11.381 -6.811 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.373 8.154 -8.206 1.00 0.00 H new ATOM 0 HG22 THR 2 27 8.689 7.687 -7.871 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.037 8.987 -9.036 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.659 9.817 -8.856 1.00 0.00 N ATOM 1272 CA PRO 2 28 5.678 9.213 -9.740 1.00 0.00 C ATOM 1273 C PRO 2 28 6.152 7.843 -10.230 1.00 0.00 C ATOM 1274 O PRO 2 28 6.085 7.548 -11.422 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.495 10.216 -10.868 1.00 0.00 C ATOM 1276 CG PRO 2 28 6.712 11.124 -10.819 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.413 10.895 -9.490 1.00 0.00 C ATOM 0 HA PRO 2 28 4.729 9.015 -9.242 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.423 9.711 -11.831 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 4.576 10.787 -10.738 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.385 10.905 -11.648 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.414 12.168 -10.918 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.457 10.616 -9.635 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.406 11.797 -8.878 1.00 0.00 H new ATOM 1285 N LYS 2 29 6.620 7.041 -9.284 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.104 5.709 -9.604 1.00 0.00 C ATOM 1287 C LYS 2 29 7.551 5.012 -8.318 1.00 0.00 C ATOM 1288 O LYS 2 29 7.633 3.786 -8.269 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.194 5.778 -10.676 1.00 0.00 C ATOM 1290 CG LYS 2 29 8.270 4.470 -11.465 1.00 0.00 C ATOM 1291 CD LYS 2 29 8.734 4.721 -12.901 1.00 0.00 C ATOM 1292 CE LYS 2 29 7.630 4.374 -13.902 1.00 0.00 C ATOM 1293 NZ LYS 2 29 7.975 4.879 -15.249 1.00 0.00 N ATOM 0 H LYS 2 29 6.674 7.288 -8.296 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.304 5.106 -10.034 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 7.989 6.605 -11.355 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.157 5.981 -10.208 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 8.958 3.783 -10.972 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 7.292 3.989 -11.474 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.020 5.766 -13.017 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 9.621 4.123 -13.110 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 7.489 3.294 -13.937 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 6.685 4.808 -13.575 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 7.215 4.635 -15.916 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 8.087 5.912 -15.214 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 8.866 4.445 -15.565 1.00 0.00 H new ATOM 1307 N GLU 2 30 7.829 5.823 -7.308 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.265 5.298 -6.025 1.00 0.00 C ATOM 1309 C GLU 2 30 7.071 5.136 -5.083 1.00 0.00 C ATOM 1310 O GLU 2 30 6.929 4.107 -4.425 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.336 6.196 -5.402 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.728 5.580 -5.558 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.249 5.760 -6.986 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 10.681 5.102 -7.884 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.204 6.550 -7.146 1.00 0.00 O ATOM 0 H GLU 2 30 7.761 6.840 -7.352 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.709 4.316 -6.188 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.314 7.177 -5.876 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.118 6.348 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.417 6.046 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.690 4.519 -5.312 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.240 6.168 -5.050 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.061 6.152 -4.200 1.00 0.00 C ATOM 1324 C CYS 2 31 4.248 4.899 -4.529 1.00 0.00 C ATOM 1325 O CYS 2 31 3.984 4.078 -3.652 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.233 7.429 -4.359 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.936 8.908 -3.543 1.00 0.00 S ATOM 0 H CYS 2 31 6.360 7.020 -5.598 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.364 6.122 -3.153 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.116 7.639 -5.422 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.235 7.250 -3.958 1.00 0.00 H new ATOM 1332 N ASN 2 32 3.874 4.791 -5.795 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.096 3.651 -6.251 1.00 0.00 C ATOM 1334 C ASN 2 32 3.872 2.364 -5.965 1.00 0.00 C ATOM 1335 O ASN 2 32 3.308 1.271 -6.015 1.00 0.00 O ATOM 1336 CB ASN 2 32 2.840 3.725 -7.757 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.509 4.419 -8.054 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.404 5.635 -7.528 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 0.636 3.884 -8.716 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.095 5.474 -6.520 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.142 3.660 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 3.653 4.267 -8.241 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 2.832 2.720 -8.178 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 0.782 2.947 -9.091 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 -0.241 4.374 -8.895 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.153 2.534 -5.674 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.011 1.399 -5.381 1.00 0.00 C ATOM 1348 C ASN 2 33 6.010 1.139 -3.873 1.00 0.00 C ATOM 1349 O ASN 2 33 6.150 -0.002 -3.436 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.454 1.673 -5.811 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.213 0.367 -6.050 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 7.658 -0.720 -6.011 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.509 0.532 -6.301 1.00 0.00 N ATOM 0 H ASN 2 33 5.618 3.441 -5.635 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.628 0.538 -5.929 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.458 2.272 -6.722 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 7.961 2.257 -5.043 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.102 -0.279 -6.476 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.910 1.470 -6.319 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.850 2.218 -3.119 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.828 2.120 -1.670 1.00 0.00 C ATOM 1362 C ARG 2 34 4.417 1.790 -1.181 1.00 0.00 C ATOM 1363 O ARG 2 34 4.246 1.230 -0.099 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.291 3.428 -1.024 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.401 4.083 -1.846 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.562 4.520 -0.949 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.847 4.340 -1.660 1.00 0.00 N ATOM 1368 CZ ARG 2 34 11.017 4.837 -1.236 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 11.070 5.548 -0.101 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 12.133 4.623 -1.946 1.00 0.00 N ATOM 0 H ARG 2 34 5.735 3.163 -3.485 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.512 1.322 -1.381 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.447 4.112 -0.935 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.650 3.232 -0.014 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.762 3.383 -2.599 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 7.003 4.947 -2.378 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.438 5.565 -0.663 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.561 3.936 -0.029 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.842 3.804 -2.528 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 10.220 5.710 0.439 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.960 5.927 0.222 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.092 4.082 -2.810 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 13.023 5.001 -1.623 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.440 2.149 -2.002 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.050 1.897 -1.666 1.00 0.00 C ATOM 1386 C GLY 2 35 1.261 3.205 -1.579 1.00 0.00 C ATOM 1387 O GLY 2 35 0.202 3.255 -0.956 1.00 0.00 O ATOM 0 H GLY 2 35 3.585 2.612 -2.899 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.602 1.247 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.992 1.369 -0.714 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.808 4.233 -2.212 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.169 5.538 -2.213 1.00 0.00 C ATOM 1393 C CYS 2 36 0.896 5.938 -3.664 1.00 0.00 C ATOM 1394 O CYS 2 36 1.451 5.347 -4.589 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.015 6.582 -1.483 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.502 6.122 0.220 1.00 0.00 S ATOM 0 H CYS 2 36 2.687 4.188 -2.728 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.226 5.485 -1.668 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.917 6.770 -2.065 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.459 7.519 -1.446 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.040 6.937 -3.818 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.313 7.423 -5.141 1.00 0.00 C ATOM 1403 C CYS 2 37 0.309 8.808 -5.326 1.00 0.00 C ATOM 1404 O CYS 2 37 0.250 9.645 -4.427 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.828 7.445 -5.349 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.368 7.253 -7.087 1.00 0.00 S ATOM 0 H CYS 2 37 -0.420 7.423 -3.048 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.082 6.745 -5.898 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.274 6.647 -4.755 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.220 8.386 -4.964 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.892 9.009 -6.499 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.523 10.279 -6.814 1.00 0.00 C ATOM 1413 C PHE 2 38 0.589 11.167 -7.636 1.00 0.00 C ATOM 1414 O PHE 2 38 0.212 10.813 -8.753 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.770 9.964 -7.644 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.743 11.137 -7.775 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 3.596 12.032 -8.789 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 4.754 11.285 -6.877 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 4.500 13.122 -8.910 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 5.657 12.375 -6.999 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.511 13.270 -8.012 1.00 0.00 C ATOM 0 H PHE 2 38 0.940 8.313 -7.243 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.769 10.811 -5.895 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.292 9.121 -7.191 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.461 9.649 -8.641 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 2.793 11.914 -9.501 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 4.870 10.574 -6.072 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 4.384 13.833 -9.715 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 6.460 12.493 -6.287 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.198 14.098 -8.104 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.241 12.305 -7.053 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.643 13.248 -7.718 1.00 0.00 C ATOM 1433 C ASP 2 39 0.133 13.983 -8.813 1.00 0.00 C ATOM 1434 O ASP 2 39 0.075 13.603 -9.982 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.176 14.291 -6.734 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.399 15.684 -7.327 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.362 15.818 -8.113 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.602 16.582 -6.981 1.00 0.00 O ATOM 0 H ASP 2 39 0.555 12.595 -6.127 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.479 12.688 -8.138 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.120 13.932 -6.323 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.477 14.374 -5.902 1.00 0.00 H new ATOM 1443 N SER 2 40 0.841 15.022 -8.395 1.00 0.00 N ATOM 1444 CA SER 2 40 1.627 15.814 -9.325 1.00 0.00 C ATOM 1445 C SER 2 40 0.761 16.915 -9.939 1.00 0.00 C ATOM 1446 O SER 2 40 1.277 17.937 -10.390 1.00 0.00 O ATOM 1447 CB SER 2 40 2.227 14.936 -10.426 1.00 0.00 C ATOM 1448 OG SER 2 40 3.444 15.476 -10.936 1.00 0.00 O ATOM 0 H SER 2 40 0.887 15.333 -7.425 1.00 0.00 H new ATOM 0 HA SER 2 40 2.448 16.272 -8.773 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.411 13.936 -10.033 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.508 14.832 -11.239 1.00 0.00 H new ATOM 0 HG SER 2 40 3.796 14.886 -11.635 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.541 16.669 -9.935 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.485 17.628 -10.486 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.490 18.908 -9.649 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.489 20.011 -10.194 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.899 17.047 -10.525 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.876 15.573 -10.935 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.050 15.241 -11.858 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.685 15.522 -13.264 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -4.564 15.572 -14.273 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -5.867 15.360 -14.038 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -4.143 15.834 -15.517 1.00 0.00 N ATOM 0 H ARG 2 41 -0.965 15.821 -9.559 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.170 17.857 -11.504 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.365 17.148 -9.545 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.510 17.614 -11.228 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.937 15.347 -11.440 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.919 14.944 -10.046 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.324 14.192 -11.748 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.923 15.830 -11.576 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.702 15.688 -13.478 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -6.189 15.161 -13.091 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -6.537 15.398 -14.806 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.152 15.996 -15.697 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -4.813 15.872 -16.285 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.494 18.720 -8.337 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.499 19.846 -7.419 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.250 19.785 -6.537 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.166 18.958 -5.631 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.809 19.888 -6.629 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.983 19.413 -7.488 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.053 21.281 -6.044 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.316 19.875 -6.897 1.00 0.00 C ATOM 0 H ILE 2 42 -1.494 17.804 -7.888 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.456 20.786 -7.969 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.724 19.197 -5.790 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.877 19.800 -8.501 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.970 18.325 -7.559 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -3.990 21.283 -5.488 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.233 21.543 -5.375 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.109 22.010 -6.852 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.134 19.524 -7.526 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.430 19.467 -5.893 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.335 20.964 -6.850 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.713 20.696 -6.841 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.953 20.754 -6.087 1.00 0.00 C ATOM 1499 C PRO 2 43 1.731 21.396 -4.716 1.00 0.00 C ATOM 1500 O PRO 2 43 2.655 21.476 -3.908 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.911 21.544 -6.964 1.00 0.00 C ATOM 1502 CG PRO 2 43 2.042 22.293 -7.960 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.647 21.691 -7.908 1.00 0.00 C ATOM 0 HA PRO 2 43 2.358 19.766 -5.867 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.506 22.235 -6.368 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.609 20.881 -7.476 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 2.009 23.355 -7.715 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.456 22.211 -8.965 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.105 22.451 -7.695 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.377 21.234 -8.860 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.501 21.835 -4.496 1.00 0.00 N ATOM 1512 CA GLY 2 44 0.146 22.466 -3.236 1.00 0.00 C ATOM 1513 C GLY 2 44 -0.409 21.441 -2.246 1.00 0.00 C ATOM 1514 O GLY 2 44 -0.667 21.768 -1.088 1.00 0.00 O ATOM 0 H GLY 2 44 -0.263 21.766 -5.169 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 1.023 22.951 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -0.596 23.245 -3.412 1.00 0.00 H new ATOM 1518 N VAL 2 45 -0.578 20.222 -2.737 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.098 19.148 -1.910 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.081 18.005 -1.867 1.00 0.00 C ATOM 1521 O VAL 2 45 1.009 18.117 -2.427 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.471 18.708 -2.425 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.247 19.896 -2.996 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.336 17.591 -3.461 1.00 0.00 C ATOM 0 H VAL 2 45 -0.364 19.955 -3.698 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.245 19.491 -0.886 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.036 18.313 -1.580 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.219 19.557 -3.355 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -3.389 20.646 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.687 20.333 -3.823 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.326 17.297 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -1.744 17.947 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -1.842 16.732 -3.008 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.485 16.902 -1.182 1.00 0.00 N ATOM 1535 CA PRO 2 46 0.378 15.740 -1.058 1.00 0.00 C ATOM 1536 C PRO 2 46 0.425 14.950 -2.369 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.604 14.478 -2.850 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.201 14.939 0.097 1.00 0.00 C ATOM 1539 CG PRO 2 46 -1.626 15.437 0.275 1.00 0.00 C ATOM 1540 CD PRO 2 46 -1.768 16.732 -0.507 1.00 0.00 C ATOM 0 HA PRO 2 46 1.416 16.007 -0.858 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.185 13.871 -0.121 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 0.381 15.088 1.006 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.338 14.694 -0.085 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -1.844 15.602 1.330 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -2.587 16.674 -1.223 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -1.982 17.572 0.154 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.629 14.832 -2.909 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.823 14.108 -4.154 1.00 0.00 C ATOM 1550 C TRP 2 47 2.210 12.669 -3.809 1.00 0.00 C ATOM 1551 O TRP 2 47 2.936 12.020 -4.562 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.853 14.809 -5.041 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.218 16.220 -4.575 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.501 17.344 -4.710 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.425 16.614 -3.890 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 3.156 18.430 -4.165 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.363 17.972 -3.650 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.534 15.850 -3.487 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 5.377 18.683 -2.999 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.540 16.575 -2.837 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.492 17.942 -2.588 1.00 0.00 C ATOM 0 H TRP 2 47 2.480 15.226 -2.507 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.902 14.090 -4.737 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.759 14.204 -5.077 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.465 14.862 -6.058 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.533 17.394 -5.185 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.817 19.392 -4.144 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.604 14.787 -3.665 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 5.304 19.746 -2.823 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.414 16.035 -2.506 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 7.311 18.430 -2.080 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.711 12.213 -2.670 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.996 10.862 -2.216 1.00 0.00 C ATOM 1574 C CYS 2 48 1.020 10.518 -1.089 1.00 0.00 C ATOM 1575 O CYS 2 48 1.174 10.990 0.037 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.454 10.710 -1.775 1.00 0.00 C ATOM 1577 SG CYS 2 48 4.074 8.988 -1.758 1.00 0.00 S ATOM 0 H CYS 2 48 1.111 12.755 -2.048 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.859 10.162 -3.040 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 4.084 11.302 -2.440 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.562 11.130 -0.775 1.00 0.00 H new ATOM 1582 N PHE 2 49 0.037 9.698 -1.430 1.00 0.00 N ATOM 1583 CA PHE 2 49 -0.964 9.285 -0.461 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.405 7.841 -0.711 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.797 7.132 -1.510 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.167 10.212 -0.639 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.332 10.753 -2.062 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.437 11.649 -2.556 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.375 10.337 -2.831 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.589 12.150 -3.876 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.527 10.839 -4.151 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.631 11.734 -4.645 1.00 0.00 C ATOM 0 H PHE 2 49 -0.088 9.308 -2.364 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.553 9.342 0.547 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.072 9.673 -0.359 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.070 11.052 0.049 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.610 11.980 -1.945 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.086 9.626 -2.438 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.878 12.861 -4.269 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.354 10.510 -4.762 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.747 12.115 -5.649 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.461 7.451 -0.012 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.991 6.105 -0.147 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.454 6.179 -0.587 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.357 5.870 0.190 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.777 5.311 1.144 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.122 6.182 2.219 1.00 0.00 C ATOM 1608 CD LYS 2 50 -0.606 6.245 2.024 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.021 4.848 1.816 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.602 3.892 2.786 1.00 0.00 N ATOM 0 H LYS 2 50 -2.963 8.043 0.649 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.451 5.560 -0.922 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.734 4.936 1.508 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.150 4.443 0.942 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -2.539 7.188 2.181 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -2.349 5.780 3.206 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.372 6.873 1.164 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.143 6.711 2.894 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.222 4.511 0.799 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 1.062 4.880 1.933 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 0.073 3.121 2.960 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -0.804 4.384 3.680 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.484 3.499 2.400 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.649 6.602 -1.865 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.988 6.721 -2.418 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.570 5.344 -2.748 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.079 4.655 -1.866 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.830 7.608 -3.643 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.352 7.571 -3.996 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.605 6.975 -2.814 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.696 7.158 -1.714 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.438 7.243 -4.471 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.156 8.627 -3.432 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.188 6.972 -4.892 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -3.986 8.575 -4.212 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.015 6.109 -3.114 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.913 7.696 -2.378 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.474 4.986 -4.019 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.985 3.705 -4.477 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.824 2.717 -4.610 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.752 1.966 -5.582 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.796 3.879 -5.762 1.00 0.00 C ATOM 1643 CG LEU 2 52 -7.015 3.744 -7.071 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.383 2.448 -7.798 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -7.213 4.974 -7.957 1.00 0.00 C ATOM 0 H LEU 2 52 -6.050 5.561 -4.747 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.678 3.287 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.599 3.142 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.265 4.863 -5.742 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.953 3.688 -6.831 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.814 2.377 -8.725 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -7.148 1.595 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -8.449 2.449 -8.026 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.647 4.852 -8.881 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -8.271 5.087 -8.192 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.862 5.862 -7.431 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.944 2.750 -3.620 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.791 1.866 -3.615 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.234 0.414 -3.806 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.416 -0.452 -4.116 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.982 2.027 -2.326 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.507 3.471 -2.154 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.659 3.915 -3.348 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -0.441 3.845 -3.337 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -2.368 4.373 -4.375 1.00 0.00 N ATOM 0 H GLN 2 53 -5.006 3.375 -2.816 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.144 2.141 -4.448 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.592 1.737 -1.471 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.122 1.357 -2.346 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.368 4.131 -2.050 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.925 3.559 -1.237 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -3.386 4.405 -4.318 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -1.894 4.693 -5.220 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.525 0.192 -3.616 1.00 0.00 N ATOM 1675 CA GLU 2 54 -6.087 -1.139 -3.765 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.569 -1.794 -5.046 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.592 -3.017 -5.177 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.616 -1.095 -3.750 1.00 0.00 C ATOM 1679 CG GLU 2 54 -8.143 -0.025 -4.709 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.203 -0.605 -5.647 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -10.374 -0.663 -5.213 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -8.819 -0.976 -6.778 1.00 0.00 O ATOM 0 H GLU 2 54 -6.200 0.913 -3.360 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.767 -1.744 -2.916 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -8.014 -2.070 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.968 -0.888 -2.739 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.569 0.801 -4.140 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.318 0.383 -5.294 1.00 0.00 H new ATOM 1689 N ALA 2 55 -5.114 -0.950 -5.962 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.592 -1.432 -7.229 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.817 -2.730 -6.998 1.00 0.00 C ATOM 1692 O ALA 2 55 -4.321 -3.816 -7.279 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.727 -0.343 -7.871 1.00 0.00 C ATOM 0 H ALA 2 55 -5.096 0.064 -5.851 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.406 -1.654 -7.919 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -3.335 -0.703 -8.822 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.331 0.548 -8.042 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.899 -0.097 -7.206 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.606 -2.576 -6.486 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.756 -3.723 -6.212 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.336 -3.734 -4.741 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.410 -4.448 -4.362 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.533 -3.732 -7.132 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.768 -4.629 -8.349 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.336 -4.439 -9.390 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 1.502 -4.719 -9.039 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -0.011 -4.020 -10.516 1.00 0.00 O ATOM 0 H GLU 2 56 -2.192 -1.673 -6.253 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.327 -4.629 -6.413 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.314 -2.716 -7.461 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.339 -4.083 -6.580 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.802 -5.672 -8.035 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.736 -4.399 -8.794 1.00 0.00 H new ATOM 1714 N CYS 2 57 -2.039 -2.934 -3.952 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.751 -2.842 -2.532 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.626 -3.860 -1.797 1.00 0.00 C ATOM 1717 O CYS 2 57 -2.117 -4.816 -1.215 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.959 -1.422 -2.002 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.972 -1.003 -0.519 1.00 0.00 S ATOM 0 H CYS 2 57 -2.808 -2.344 -4.270 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.700 -3.073 -2.356 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.716 -0.714 -2.795 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -3.015 -1.288 -1.768 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.928 -3.619 -1.850 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.879 -4.503 -1.197 1.00 0.00 C ATOM 1726 C THR 2 58 -4.611 -5.957 -1.589 1.00 0.00 C ATOM 1727 O THR 2 58 -4.754 -6.862 -0.767 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.289 -4.027 -1.554 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -7.132 -4.730 -0.647 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.738 -4.513 -2.933 1.00 0.00 C ATOM 0 H THR 2 58 -4.346 -2.825 -2.335 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.773 -4.467 -0.113 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.324 -2.938 -1.524 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -8.066 -4.480 -0.807 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.744 -4.148 -3.138 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.054 -4.135 -3.693 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.736 -5.603 -2.953 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.228 -6.138 -2.843 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.939 -7.467 -3.354 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.364 -8.364 -2.255 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.511 -9.209 -2.521 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.894 -7.304 -4.461 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.343 -7.836 -5.823 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.182 -7.099 -6.599 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -2.903 -9.046 -6.259 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -4.599 -7.592 -7.863 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -3.319 -9.541 -7.523 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -4.158 -8.804 -8.299 1.00 0.00 C ATOM 0 H PHE 2 59 -4.111 -5.386 -3.522 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.854 -7.930 -3.723 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.645 -6.247 -4.559 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -1.981 -7.820 -4.164 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -4.531 -6.137 -6.253 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -2.236 -9.631 -5.643 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -5.266 -7.006 -8.478 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -2.969 -10.503 -7.868 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -4.474 -9.180 -9.261 1.00 0.00 H new TER 1758 PHE 2 59