USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.0074 X(o=-0.0074,f=-0.32) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 21 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.098) USER MOD Single : A 24 SER OG : rot -99:sc= 0.0808 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.82 K(o=-0.82,f=-3.3!) USER MOD Single : A 31 SER OG : rot -57:sc= 0.00896 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00259 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 60:sc= -4.65! USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -163:sc= -1.03 (180deg=-2.58) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -149:sc= 0.137 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.308 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.2) USER MOD Single : A 81 SER OG : rot 180:sc= -0.511 USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 61:sc= -1.75 USER MOD Single : A 90 CYS SG : rot 90:sc= 0.0698 USER MOD Single : A 91 GLN :FLIP amide:sc= 0.0287 F(o=-0.48,f=0.029) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0921 USER MOD Single : A 99 LYS NZ :NH3+ -154:sc= 0.773 (180deg=0.409) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N ASN A 8 -8.441 -25.215 -5.091 1.00 0.00 N ATOM 69 CA ASN A 8 -7.050 -25.144 -5.522 1.00 0.00 C ATOM 70 C ASN A 8 -6.123 -25.749 -4.473 1.00 0.00 C ATOM 71 O ASN A 8 -5.807 -25.111 -3.468 1.00 0.00 O ATOM 72 CB ASN A 8 -6.653 -23.692 -5.794 1.00 0.00 C ATOM 73 CG ASN A 8 -7.414 -23.091 -6.960 1.00 0.00 C ATOM 74 OD1 ASN A 8 -7.181 -23.445 -8.115 1.00 0.00 O ATOM 75 ND2 ASN A 8 -8.331 -22.179 -6.660 1.00 0.00 N ATOM 0 HA ASN A 8 -6.951 -25.720 -6.442 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.834 -23.096 -4.900 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -5.583 -23.643 -5.998 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.876 -21.741 -7.402 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.490 -21.916 -5.687 1.00 0.00 H new ATOM 82 N GLU A 9 -5.689 -26.982 -4.713 1.00 0.00 N ATOM 83 CA GLU A 9 -4.797 -27.673 -3.789 1.00 0.00 C ATOM 84 C GLU A 9 -3.419 -27.868 -4.409 1.00 0.00 C ATOM 85 O GLU A 9 -2.402 -27.808 -3.718 1.00 0.00 O ATOM 86 CB GLU A 9 -5.387 -29.027 -3.393 1.00 0.00 C ATOM 87 CG GLU A 9 -6.324 -28.957 -2.197 1.00 0.00 C ATOM 88 CD GLU A 9 -6.031 -30.027 -1.163 1.00 0.00 C ATOM 89 OE1 GLU A 9 -4.980 -29.935 -0.494 1.00 0.00 O ATOM 90 OE2 GLU A 9 -6.853 -30.957 -1.022 1.00 0.00 O ATOM 0 H GLU A 9 -5.941 -27.523 -5.540 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.691 -27.057 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.928 -29.441 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.573 -29.716 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.240 -27.975 -1.732 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.353 -29.061 -2.540 1.00 0.00 H new ATOM 97 N GLU A 10 -3.391 -28.101 -5.717 1.00 0.00 N ATOM 98 CA GLU A 10 -2.138 -28.304 -6.433 1.00 0.00 C ATOM 99 C GLU A 10 -1.537 -26.971 -6.868 1.00 0.00 C ATOM 100 O GLU A 10 -0.319 -26.838 -6.991 1.00 0.00 O ATOM 101 CB GLU A 10 -2.362 -29.198 -7.654 1.00 0.00 C ATOM 102 CG GLU A 10 -2.970 -30.549 -7.315 1.00 0.00 C ATOM 103 CD GLU A 10 -2.369 -31.679 -8.127 1.00 0.00 C ATOM 104 OE1 GLU A 10 -1.185 -31.570 -8.511 1.00 0.00 O ATOM 105 OE2 GLU A 10 -3.081 -32.674 -8.379 1.00 0.00 O ATOM 0 H GLU A 10 -4.224 -28.154 -6.303 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.438 -28.794 -5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.015 -28.681 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.409 -29.354 -8.159 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.826 -30.752 -6.254 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.045 -30.513 -7.489 1.00 0.00 H new ATOM 112 N LEU A 11 -2.399 -25.985 -7.099 1.00 0.00 N ATOM 113 CA LEU A 11 -1.954 -24.661 -7.520 1.00 0.00 C ATOM 114 C LEU A 11 -0.992 -24.053 -6.502 1.00 0.00 C ATOM 115 O LEU A 11 -0.216 -23.155 -6.829 1.00 0.00 O ATOM 116 CB LEU A 11 -3.156 -23.736 -7.717 1.00 0.00 C ATOM 117 CG LEU A 11 -2.951 -22.618 -8.742 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.133 -23.152 -10.155 1.00 0.00 C ATOM 119 CD2 LEU A 11 -3.912 -21.470 -8.476 1.00 0.00 C ATOM 0 H LEU A 11 -3.410 -26.078 -7.002 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.426 -24.770 -8.467 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.012 -24.337 -8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.410 -23.286 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.932 -22.242 -8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.984 -22.344 -10.871 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.405 -23.942 -10.342 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.140 -23.553 -10.265 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.753 -20.684 -9.214 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.938 -21.831 -8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.735 -21.071 -7.477 1.00 0.00 H new ATOM 131 N ARG A 12 -1.048 -24.545 -5.266 1.00 0.00 N ATOM 132 CA ARG A 12 -0.181 -24.047 -4.203 1.00 0.00 C ATOM 133 C ARG A 12 1.281 -24.037 -4.643 1.00 0.00 C ATOM 134 O ARG A 12 2.069 -23.203 -4.196 1.00 0.00 O ATOM 135 CB ARG A 12 -0.342 -24.904 -2.944 1.00 0.00 C ATOM 136 CG ARG A 12 -0.581 -24.091 -1.682 1.00 0.00 C ATOM 137 CD ARG A 12 -1.952 -24.372 -1.087 1.00 0.00 C ATOM 138 NE ARG A 12 -2.950 -23.399 -1.525 1.00 0.00 N ATOM 139 CZ ARG A 12 -4.261 -23.556 -1.358 1.00 0.00 C ATOM 140 NH1 ARG A 12 -4.736 -24.644 -0.764 1.00 0.00 N ATOM 141 NH2 ARG A 12 -5.100 -22.623 -1.788 1.00 0.00 N ATOM 0 H ARG A 12 -1.685 -25.288 -4.977 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.477 -23.022 -3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.176 -25.592 -3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.553 -25.511 -2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.190 -24.323 -0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.494 -23.029 -1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.273 -25.374 -1.373 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.885 -24.357 0.001 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.623 -22.550 -1.986 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.095 -25.365 -0.433 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.742 -24.759 -0.639 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.740 -21.786 -2.246 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.105 -22.743 -1.660 1.00 0.00 H new ATOM 155 N ALA A 13 1.635 -24.967 -5.523 1.00 0.00 N ATOM 156 CA ALA A 13 3.000 -25.063 -6.025 1.00 0.00 C ATOM 157 C ALA A 13 3.225 -24.097 -7.184 1.00 0.00 C ATOM 158 O ALA A 13 4.333 -23.598 -7.382 1.00 0.00 O ATOM 159 CB ALA A 13 3.304 -26.490 -6.458 1.00 0.00 C ATOM 0 H ALA A 13 0.996 -25.665 -5.903 1.00 0.00 H new ATOM 0 HA ALA A 13 3.679 -24.788 -5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.327 -26.547 -6.831 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.190 -27.161 -5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.613 -26.786 -7.247 1.00 0.00 H new ATOM 165 N GLN A 14 2.167 -23.837 -7.944 1.00 0.00 N ATOM 166 CA GLN A 14 2.247 -22.928 -9.082 1.00 0.00 C ATOM 167 C GLN A 14 2.366 -21.480 -8.617 1.00 0.00 C ATOM 168 O GLN A 14 2.924 -20.637 -9.320 1.00 0.00 O ATOM 169 CB GLN A 14 1.017 -23.092 -9.980 1.00 0.00 C ATOM 170 CG GLN A 14 1.313 -23.797 -11.294 1.00 0.00 C ATOM 171 CD GLN A 14 2.001 -22.892 -12.297 1.00 0.00 C ATOM 172 OE1 GLN A 14 3.193 -23.041 -12.569 1.00 0.00 O ATOM 173 NE2 GLN A 14 1.253 -21.947 -12.854 1.00 0.00 N ATOM 0 H GLN A 14 1.244 -24.243 -7.793 1.00 0.00 H new ATOM 0 HA GLN A 14 3.141 -23.179 -9.653 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.255 -23.654 -9.439 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.598 -22.108 -10.191 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.942 -24.666 -11.102 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.381 -24.166 -11.722 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.269 -21.859 -12.599 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.662 -21.309 -13.536 1.00 0.00 H new ATOM 182 N GLN A 15 1.839 -21.196 -7.429 1.00 0.00 N ATOM 183 CA GLN A 15 1.888 -19.849 -6.875 1.00 0.00 C ATOM 184 C GLN A 15 3.050 -19.704 -5.896 1.00 0.00 C ATOM 185 O GLN A 15 2.967 -18.951 -4.925 1.00 0.00 O ATOM 186 CB GLN A 15 0.570 -19.516 -6.171 1.00 0.00 C ATOM 187 CG GLN A 15 -0.616 -19.425 -7.116 1.00 0.00 C ATOM 188 CD GLN A 15 -1.860 -18.881 -6.440 1.00 0.00 C ATOM 189 OE1 GLN A 15 -1.936 -18.818 -5.212 1.00 0.00 O ATOM 190 NE2 GLN A 15 -2.843 -18.485 -7.239 1.00 0.00 N ATOM 0 H GLN A 15 1.374 -21.881 -6.833 1.00 0.00 H new ATOM 0 HA GLN A 15 2.040 -19.151 -7.698 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.367 -20.278 -5.418 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.678 -18.568 -5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.356 -18.785 -7.959 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.830 -20.414 -7.521 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.737 -18.555 -8.251 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.704 -18.110 -6.841 1.00 0.00 H new ATOM 199 N GLU A 16 4.133 -20.427 -6.160 1.00 0.00 N ATOM 200 CA GLU A 16 5.313 -20.378 -5.304 1.00 0.00 C ATOM 201 C GLU A 16 6.486 -19.728 -6.031 1.00 0.00 C ATOM 202 O GLU A 16 7.223 -18.931 -5.453 1.00 0.00 O ATOM 203 CB GLU A 16 5.696 -21.787 -4.848 1.00 0.00 C ATOM 204 CG GLU A 16 5.068 -22.189 -3.522 1.00 0.00 C ATOM 205 CD GLU A 16 6.095 -22.634 -2.500 1.00 0.00 C ATOM 206 OE1 GLU A 16 6.994 -21.831 -2.173 1.00 0.00 O ATOM 207 OE2 GLU A 16 6.000 -23.786 -2.026 1.00 0.00 O ATOM 0 H GLU A 16 4.218 -21.054 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 16 5.073 -19.774 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.396 -22.502 -5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.781 -21.849 -4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.504 -21.347 -3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.356 -22.997 -3.692 1.00 0.00 H new ATOM 214 N ALA A 17 6.651 -20.074 -7.304 1.00 0.00 N ATOM 215 CA ALA A 17 7.733 -19.524 -8.111 1.00 0.00 C ATOM 216 C ALA A 17 7.203 -18.517 -9.124 1.00 0.00 C ATOM 217 O ALA A 17 7.781 -17.446 -9.311 1.00 0.00 O ATOM 218 CB ALA A 17 8.484 -20.642 -8.818 1.00 0.00 C ATOM 0 H ALA A 17 6.049 -20.733 -7.798 1.00 0.00 H new ATOM 0 HA ALA A 17 8.422 -19.003 -7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.289 -20.217 -9.417 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.903 -21.324 -8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.798 -21.188 -9.466 1.00 0.00 H new ATOM 224 N GLU A 18 6.098 -18.867 -9.776 1.00 0.00 N ATOM 225 CA GLU A 18 5.489 -17.991 -10.770 1.00 0.00 C ATOM 226 C GLU A 18 5.045 -16.676 -10.138 1.00 0.00 C ATOM 227 O GLU A 18 5.013 -15.638 -10.799 1.00 0.00 O ATOM 228 CB GLU A 18 4.295 -18.684 -11.427 1.00 0.00 C ATOM 229 CG GLU A 18 4.673 -19.925 -12.220 1.00 0.00 C ATOM 230 CD GLU A 18 5.152 -19.599 -13.621 1.00 0.00 C ATOM 231 OE1 GLU A 18 4.336 -19.107 -14.428 1.00 0.00 O ATOM 232 OE2 GLU A 18 6.345 -19.836 -13.911 1.00 0.00 O ATOM 0 H GLU A 18 5.607 -19.750 -9.634 1.00 0.00 H new ATOM 0 HA GLU A 18 6.237 -17.772 -11.532 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.576 -18.961 -10.656 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.795 -17.978 -12.090 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.456 -20.466 -11.689 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.811 -20.590 -12.280 1.00 0.00 H new ATOM 239 N ALA A 19 4.702 -16.727 -8.854 1.00 0.00 N ATOM 240 CA ALA A 19 4.262 -15.538 -8.134 1.00 0.00 C ATOM 241 C ALA A 19 5.422 -14.871 -7.398 1.00 0.00 C ATOM 242 O ALA A 19 5.212 -14.077 -6.483 1.00 0.00 O ATOM 243 CB ALA A 19 3.153 -15.897 -7.156 1.00 0.00 C ATOM 0 H ALA A 19 4.720 -17.578 -8.292 1.00 0.00 H new ATOM 0 HA ALA A 19 3.877 -14.826 -8.864 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.833 -15.001 -6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.308 -16.316 -7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.523 -16.631 -6.440 1.00 0.00 H new ATOM 249 N ALA A 20 6.647 -15.197 -7.805 1.00 0.00 N ATOM 250 CA ALA A 20 7.836 -14.626 -7.183 1.00 0.00 C ATOM 251 C ALA A 20 8.985 -14.528 -8.182 1.00 0.00 C ATOM 252 O ALA A 20 10.154 -14.527 -7.797 1.00 0.00 O ATOM 253 CB ALA A 20 8.250 -15.457 -5.978 1.00 0.00 C ATOM 0 H ALA A 20 6.840 -15.853 -8.562 1.00 0.00 H new ATOM 0 HA ALA A 20 7.594 -13.617 -6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.139 -15.020 -5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.439 -15.471 -5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.469 -16.476 -6.297 1.00 0.00 H new ATOM 259 N GLN A 21 8.646 -14.445 -9.464 1.00 0.00 N ATOM 260 CA GLN A 21 9.649 -14.347 -10.516 1.00 0.00 C ATOM 261 C GLN A 21 9.277 -13.263 -11.523 1.00 0.00 C ATOM 262 O GLN A 21 9.982 -12.264 -11.664 1.00 0.00 O ATOM 263 CB GLN A 21 9.802 -15.691 -11.230 1.00 0.00 C ATOM 264 CG GLN A 21 11.209 -15.949 -11.743 1.00 0.00 C ATOM 265 CD GLN A 21 11.905 -17.071 -10.997 1.00 0.00 C ATOM 266 OE1 GLN A 21 13.055 -16.934 -10.579 1.00 0.00 O ATOM 267 NE2 GLN A 21 11.210 -18.190 -10.827 1.00 0.00 N ATOM 0 H GLN A 21 7.683 -14.444 -9.799 1.00 0.00 H new ATOM 0 HA GLN A 21 10.599 -14.078 -10.054 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.521 -16.491 -10.545 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.106 -15.730 -12.068 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.165 -16.195 -12.804 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.798 -15.037 -11.651 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.259 -18.260 -11.190 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.627 -18.979 -10.333 1.00 0.00 H new ATOM 276 N ARG A 22 8.164 -13.467 -12.219 1.00 0.00 N ATOM 277 CA ARG A 22 7.696 -12.507 -13.212 1.00 0.00 C ATOM 278 C ARG A 22 7.176 -11.241 -12.539 1.00 0.00 C ATOM 279 O ARG A 22 7.333 -10.139 -13.063 1.00 0.00 O ATOM 280 CB ARG A 22 6.596 -13.128 -14.075 1.00 0.00 C ATOM 281 CG ARG A 22 6.918 -14.538 -14.549 1.00 0.00 C ATOM 282 CD ARG A 22 7.050 -14.603 -16.063 1.00 0.00 C ATOM 283 NE ARG A 22 5.764 -14.845 -16.714 1.00 0.00 N ATOM 284 CZ ARG A 22 5.638 -15.282 -17.965 1.00 0.00 C ATOM 285 NH1 ARG A 22 6.714 -15.526 -18.702 1.00 0.00 N ATOM 286 NH2 ARG A 22 4.431 -15.477 -18.480 1.00 0.00 N ATOM 0 H ARG A 22 7.569 -14.289 -12.114 1.00 0.00 H new ATOM 0 HA ARG A 22 8.539 -12.240 -13.849 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.667 -13.148 -13.506 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.424 -12.492 -14.943 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.846 -14.875 -14.087 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.134 -15.221 -14.222 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.472 -13.668 -16.431 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.748 -15.396 -16.333 1.00 0.00 H new ATOM 0 HE ARG A 22 4.914 -14.669 -16.179 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.644 -15.379 -18.311 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.611 -15.861 -19.660 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.601 -15.292 -17.917 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.334 -15.812 -19.439 1.00 0.00 H new ATOM 300 N LEU A 23 6.558 -11.408 -11.375 1.00 0.00 N ATOM 301 CA LEU A 23 6.014 -10.280 -10.628 1.00 0.00 C ATOM 302 C LEU A 23 6.944 -9.887 -9.484 1.00 0.00 C ATOM 303 O LEU A 23 6.495 -9.394 -8.449 1.00 0.00 O ATOM 304 CB LEU A 23 4.626 -10.623 -10.083 1.00 0.00 C ATOM 305 CG LEU A 23 3.603 -9.489 -10.153 1.00 0.00 C ATOM 306 CD1 LEU A 23 3.001 -9.401 -11.547 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.513 -9.689 -9.112 1.00 0.00 C ATOM 0 H LEU A 23 6.421 -12.315 -10.928 1.00 0.00 H new ATOM 0 HA LEU A 23 5.928 -9.432 -11.308 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.236 -11.477 -10.636 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.728 -10.936 -9.044 1.00 0.00 H new ATOM 0 HG LEU A 23 4.114 -8.550 -9.939 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.275 -8.589 -11.579 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.791 -9.210 -12.273 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.505 -10.341 -11.789 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.794 -8.872 -9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.004 -10.636 -9.295 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.958 -9.703 -8.117 1.00 0.00 H new ATOM 319 N SER A 24 8.240 -10.109 -9.677 1.00 0.00 N ATOM 320 CA SER A 24 9.232 -9.779 -8.661 1.00 0.00 C ATOM 321 C SER A 24 9.480 -8.274 -8.612 1.00 0.00 C ATOM 322 O SER A 24 9.749 -7.714 -7.550 1.00 0.00 O ATOM 323 CB SER A 24 10.543 -10.515 -8.940 1.00 0.00 C ATOM 324 OG SER A 24 11.229 -9.938 -10.038 1.00 0.00 O ATOM 0 H SER A 24 8.628 -10.516 -10.528 1.00 0.00 H new ATOM 0 HA SER A 24 8.844 -10.097 -7.693 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.177 -10.483 -8.054 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.337 -11.565 -9.147 1.00 0.00 H new ATOM 0 HG SER A 24 11.057 -10.466 -10.845 1.00 0.00 H new ATOM 330 N GLU A 25 9.389 -7.627 -9.769 1.00 0.00 N ATOM 331 CA GLU A 25 9.604 -6.188 -9.859 1.00 0.00 C ATOM 332 C GLU A 25 8.516 -5.429 -9.104 1.00 0.00 C ATOM 333 O GLU A 25 8.797 -4.463 -8.396 1.00 0.00 O ATOM 334 CB GLU A 25 9.632 -5.747 -11.324 1.00 0.00 C ATOM 335 CG GLU A 25 11.035 -5.503 -11.857 1.00 0.00 C ATOM 336 CD GLU A 25 11.069 -5.368 -13.367 1.00 0.00 C ATOM 337 OE1 GLU A 25 10.885 -4.239 -13.867 1.00 0.00 O ATOM 338 OE2 GLU A 25 11.280 -6.394 -14.049 1.00 0.00 O ATOM 0 H GLU A 25 9.168 -8.077 -10.657 1.00 0.00 H new ATOM 0 HA GLU A 25 10.566 -5.958 -9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.148 -6.509 -11.934 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.047 -4.834 -11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.439 -4.597 -11.406 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.683 -6.326 -11.555 1.00 0.00 H new ATOM 345 N GLU A 26 7.274 -5.875 -9.261 1.00 0.00 N ATOM 346 CA GLU A 26 6.144 -5.238 -8.593 1.00 0.00 C ATOM 347 C GLU A 26 6.297 -5.315 -7.077 1.00 0.00 C ATOM 348 O GLU A 26 6.018 -4.351 -6.365 1.00 0.00 O ATOM 349 CB GLU A 26 4.833 -5.898 -9.023 1.00 0.00 C ATOM 350 CG GLU A 26 4.073 -5.110 -10.078 1.00 0.00 C ATOM 351 CD GLU A 26 2.666 -5.632 -10.295 1.00 0.00 C ATOM 352 OE1 GLU A 26 2.453 -6.852 -10.127 1.00 0.00 O ATOM 353 OE2 GLU A 26 1.777 -4.821 -10.631 1.00 0.00 O ATOM 0 H GLU A 26 7.024 -6.674 -9.844 1.00 0.00 H new ATOM 0 HA GLU A 26 6.124 -4.188 -8.884 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.047 -6.894 -9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.196 -6.026 -8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.026 -4.063 -9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.620 -5.149 -11.020 1.00 0.00 H new ATOM 360 N LYS A 27 6.743 -6.469 -6.590 1.00 0.00 N ATOM 361 CA LYS A 27 6.933 -6.671 -5.160 1.00 0.00 C ATOM 362 C LYS A 27 7.961 -5.690 -4.606 1.00 0.00 C ATOM 363 O LYS A 27 7.786 -5.142 -3.517 1.00 0.00 O ATOM 364 CB LYS A 27 7.381 -8.107 -4.880 1.00 0.00 C ATOM 365 CG LYS A 27 7.304 -8.494 -3.412 1.00 0.00 C ATOM 366 CD LYS A 27 6.798 -9.917 -3.234 1.00 0.00 C ATOM 367 CE LYS A 27 7.942 -10.892 -3.011 1.00 0.00 C ATOM 368 NZ LYS A 27 7.557 -12.289 -3.351 1.00 0.00 N ATOM 0 H LYS A 27 6.979 -7.277 -7.165 1.00 0.00 H new ATOM 0 HA LYS A 27 5.979 -6.492 -4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.762 -8.791 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.407 -8.233 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.290 -8.398 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.643 -7.804 -2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.114 -9.957 -2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.231 -10.215 -4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.797 -10.593 -3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.259 -10.847 -1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.365 -12.922 -3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.758 -12.584 -2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.278 -12.339 -4.352 1.00 0.00 H new ATOM 382 N ALA A 28 9.030 -5.471 -5.363 1.00 0.00 N ATOM 383 CA ALA A 28 10.085 -4.553 -4.949 1.00 0.00 C ATOM 384 C ALA A 28 9.548 -3.133 -4.805 1.00 0.00 C ATOM 385 O ALA A 28 9.842 -2.445 -3.828 1.00 0.00 O ATOM 386 CB ALA A 28 11.234 -4.587 -5.946 1.00 0.00 C ATOM 0 H ALA A 28 9.189 -5.916 -6.267 1.00 0.00 H new ATOM 0 HA ALA A 28 10.454 -4.875 -3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.015 -3.897 -5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.641 -5.597 -5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.871 -4.291 -6.930 1.00 0.00 H new ATOM 392 N GLN A 29 8.759 -2.702 -5.784 1.00 0.00 N ATOM 393 CA GLN A 29 8.180 -1.364 -5.766 1.00 0.00 C ATOM 394 C GLN A 29 7.073 -1.268 -4.721 1.00 0.00 C ATOM 395 O GLN A 29 6.858 -0.212 -4.124 1.00 0.00 O ATOM 396 CB GLN A 29 7.626 -1.005 -7.146 1.00 0.00 C ATOM 397 CG GLN A 29 8.625 -1.207 -8.273 1.00 0.00 C ATOM 398 CD GLN A 29 8.026 -0.932 -9.639 1.00 0.00 C ATOM 399 OE1 GLN A 29 8.048 0.200 -10.122 1.00 0.00 O ATOM 400 NE2 GLN A 29 7.486 -1.968 -10.268 1.00 0.00 N ATOM 0 H GLN A 29 8.506 -3.260 -6.600 1.00 0.00 H new ATOM 0 HA GLN A 29 8.967 -0.657 -5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.742 -1.611 -7.342 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.304 0.036 -7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.481 -0.551 -8.117 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.999 -2.231 -8.243 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.490 -2.889 -9.830 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.067 -1.843 -11.190 1.00 0.00 H new ATOM 409 N ALA A 30 6.375 -2.376 -4.502 1.00 0.00 N ATOM 410 CA ALA A 30 5.290 -2.419 -3.529 1.00 0.00 C ATOM 411 C ALA A 30 5.828 -2.401 -2.102 1.00 0.00 C ATOM 412 O ALA A 30 5.156 -1.939 -1.181 1.00 0.00 O ATOM 413 CB ALA A 30 4.429 -3.653 -3.754 1.00 0.00 C ATOM 0 H ALA A 30 6.541 -3.258 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 30 4.676 -1.529 -3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.623 -3.673 -3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.006 -3.623 -4.758 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.041 -4.548 -3.645 1.00 0.00 H new ATOM 419 N SER A 31 7.045 -2.909 -1.925 1.00 0.00 N ATOM 420 CA SER A 31 7.671 -2.951 -0.609 1.00 0.00 C ATOM 421 C SER A 31 8.618 -1.770 -0.416 1.00 0.00 C ATOM 422 O SER A 31 9.613 -1.870 0.300 1.00 0.00 O ATOM 423 CB SER A 31 8.434 -4.264 -0.426 1.00 0.00 C ATOM 424 OG SER A 31 8.574 -4.586 0.947 1.00 0.00 O ATOM 0 H SER A 31 7.616 -3.297 -2.676 1.00 0.00 H new ATOM 0 HA SER A 31 6.883 -2.887 0.141 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.908 -5.069 -0.939 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.419 -4.183 -0.886 1.00 0.00 H new ATOM 0 HG SER A 31 9.023 -3.849 1.412 1.00 0.00 H new ATOM 430 N ALA A 32 8.300 -0.650 -1.060 1.00 0.00 N ATOM 431 CA ALA A 32 9.123 0.548 -0.957 1.00 0.00 C ATOM 432 C ALA A 32 8.272 1.770 -0.624 1.00 0.00 C ATOM 433 O ALA A 32 8.624 2.564 0.249 1.00 0.00 O ATOM 434 CB ALA A 32 9.889 0.775 -2.252 1.00 0.00 C ATOM 0 H ALA A 32 7.479 -0.549 -1.657 1.00 0.00 H new ATOM 0 HA ALA A 32 9.836 0.401 -0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.500 1.673 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.532 -0.083 -2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.185 0.897 -3.075 1.00 0.00 H new ATOM 440 N ILE A 33 7.151 1.912 -1.321 1.00 0.00 N ATOM 441 CA ILE A 33 6.249 3.035 -1.098 1.00 0.00 C ATOM 442 C ILE A 33 5.589 2.943 0.273 1.00 0.00 C ATOM 443 O ILE A 33 4.521 2.349 0.421 1.00 0.00 O ATOM 444 CB ILE A 33 5.152 3.101 -2.180 1.00 0.00 C ATOM 445 CG1 ILE A 33 5.774 3.040 -3.577 1.00 0.00 C ATOM 446 CG2 ILE A 33 4.323 4.366 -2.019 1.00 0.00 C ATOM 447 CD1 ILE A 33 4.905 2.335 -4.595 1.00 0.00 C ATOM 0 H ILE A 33 6.845 1.263 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 33 6.853 3.941 -1.150 1.00 0.00 H new ATOM 0 HB ILE A 33 4.494 2.240 -2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.973 4.055 -3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.735 2.530 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.553 4.397 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.852 4.370 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.969 5.239 -2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.409 2.329 -5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.727 1.309 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.953 2.858 -4.685 1.00 0.00 H new ATOM 459 N SER A 34 6.232 3.534 1.274 1.00 0.00 N ATOM 460 CA SER A 34 5.707 3.520 2.634 1.00 0.00 C ATOM 461 C SER A 34 4.334 4.180 2.695 1.00 0.00 C ATOM 462 O SER A 34 3.998 5.014 1.854 1.00 0.00 O ATOM 463 CB SER A 34 6.673 4.233 3.583 1.00 0.00 C ATOM 464 OG SER A 34 8.015 3.869 3.314 1.00 0.00 O ATOM 0 H SER A 34 7.118 4.029 1.169 1.00 0.00 H new ATOM 0 HA SER A 34 5.603 2.481 2.946 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.558 5.312 3.480 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.425 3.983 4.615 1.00 0.00 H new ATOM 0 HG SER A 34 8.612 4.339 3.933 1.00 0.00 H new ATOM 470 N VAL A 35 3.545 3.803 3.696 1.00 0.00 N ATOM 471 CA VAL A 35 2.208 4.359 3.865 1.00 0.00 C ATOM 472 C VAL A 35 2.248 5.648 4.679 1.00 0.00 C ATOM 473 O VAL A 35 2.929 5.728 5.701 1.00 0.00 O ATOM 474 CB VAL A 35 1.266 3.358 4.561 1.00 0.00 C ATOM 475 CG1 VAL A 35 -0.165 3.873 4.551 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.354 1.993 3.895 1.00 0.00 C ATOM 0 H VAL A 35 3.808 3.115 4.402 1.00 0.00 H new ATOM 0 HA VAL A 35 1.827 4.572 2.866 1.00 0.00 H new ATOM 0 HB VAL A 35 1.581 3.252 5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.815 3.152 5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.212 4.826 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.495 4.010 3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.682 1.298 4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.066 2.080 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.377 1.621 3.961 1.00 0.00 H new ATOM 486 N GLY A 36 1.515 6.656 4.218 1.00 0.00 N ATOM 487 CA GLY A 36 1.480 7.928 4.915 1.00 0.00 C ATOM 488 C GLY A 36 2.534 8.895 4.410 1.00 0.00 C ATOM 489 O GLY A 36 3.098 9.668 5.184 1.00 0.00 O ATOM 0 H GLY A 36 0.944 6.614 3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.494 8.376 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.628 7.759 5.982 1.00 0.00 H new ATOM 493 N SER A 37 2.799 8.851 3.108 1.00 0.00 N ATOM 494 CA SER A 37 3.792 9.729 2.501 1.00 0.00 C ATOM 495 C SER A 37 3.242 10.377 1.234 1.00 0.00 C ATOM 496 O SER A 37 2.353 9.830 0.582 1.00 0.00 O ATOM 497 CB SER A 37 5.066 8.947 2.177 1.00 0.00 C ATOM 498 OG SER A 37 5.671 8.445 3.356 1.00 0.00 O ATOM 0 H SER A 37 2.340 8.217 2.454 1.00 0.00 H new ATOM 0 HA SER A 37 4.031 10.516 3.216 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.829 8.121 1.507 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.769 9.593 1.651 1.00 0.00 H new ATOM 0 HG SER A 37 6.482 7.948 3.121 1.00 0.00 H new ATOM 504 N ARG A 38 3.779 11.543 0.891 1.00 0.00 N ATOM 505 CA ARG A 38 3.343 12.265 -0.298 1.00 0.00 C ATOM 506 C ARG A 38 4.139 11.827 -1.523 1.00 0.00 C ATOM 507 O ARG A 38 5.365 11.940 -1.551 1.00 0.00 O ATOM 508 CB ARG A 38 3.495 13.773 -0.089 1.00 0.00 C ATOM 509 CG ARG A 38 2.344 14.398 0.683 1.00 0.00 C ATOM 510 CD ARG A 38 1.182 14.744 -0.233 1.00 0.00 C ATOM 511 NE ARG A 38 1.442 15.949 -1.018 1.00 0.00 N ATOM 512 CZ ARG A 38 0.500 16.628 -1.668 1.00 0.00 C ATOM 513 NH1 ARG A 38 -0.765 16.223 -1.631 1.00 0.00 N ATOM 514 NH2 ARG A 38 0.822 17.713 -2.357 1.00 0.00 N ATOM 0 H ARG A 38 4.517 12.008 1.420 1.00 0.00 H new ATOM 0 HA ARG A 38 2.292 12.033 -0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.426 13.966 0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.577 14.260 -1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.006 13.708 1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.691 15.299 1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.989 13.908 -0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.281 14.887 0.363 1.00 0.00 H new ATOM 0 HE ARG A 38 2.402 16.290 -1.071 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.018 15.388 -1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.483 16.747 -2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.792 18.028 -2.389 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.100 18.234 -2.855 1.00 0.00 H new ATOM 528 N CYS A 39 3.435 11.325 -2.532 1.00 0.00 N ATOM 529 CA CYS A 39 4.078 10.870 -3.759 1.00 0.00 C ATOM 530 C CYS A 39 3.279 11.304 -4.984 1.00 0.00 C ATOM 531 O CYS A 39 2.096 11.626 -4.885 1.00 0.00 O ATOM 532 CB CYS A 39 4.226 9.347 -3.746 1.00 0.00 C ATOM 533 SG CYS A 39 4.903 8.686 -2.206 1.00 0.00 S ATOM 0 H CYS A 39 2.420 11.223 -2.524 1.00 0.00 H new ATOM 0 HA CYS A 39 5.067 11.324 -3.813 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.250 8.896 -3.925 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.871 9.048 -4.572 1.00 0.00 H new ATOM 0 HG CYS A 39 4.122 9.005 -1.217 1.00 0.00 H new ATOM 539 N GLU A 40 3.936 11.309 -6.141 1.00 0.00 N ATOM 540 CA GLU A 40 3.288 11.702 -7.386 1.00 0.00 C ATOM 541 C GLU A 40 2.788 10.480 -8.150 1.00 0.00 C ATOM 542 O GLU A 40 3.401 9.414 -8.102 1.00 0.00 O ATOM 543 CB GLU A 40 4.256 12.503 -8.258 1.00 0.00 C ATOM 544 CG GLU A 40 4.372 13.964 -7.858 1.00 0.00 C ATOM 545 CD GLU A 40 5.723 14.558 -8.203 1.00 0.00 C ATOM 546 OE1 GLU A 40 6.721 14.177 -7.556 1.00 0.00 O ATOM 547 OE2 GLU A 40 5.784 15.402 -9.122 1.00 0.00 O ATOM 0 H GLU A 40 4.916 11.045 -6.241 1.00 0.00 H new ATOM 0 HA GLU A 40 2.431 12.328 -7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.243 12.042 -8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.929 12.445 -9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.590 14.536 -8.357 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.201 14.058 -6.786 1.00 0.00 H new ATOM 554 N VAL A 41 1.673 10.643 -8.853 1.00 0.00 N ATOM 555 CA VAL A 41 1.091 9.553 -9.627 1.00 0.00 C ATOM 556 C VAL A 41 0.965 9.931 -11.099 1.00 0.00 C ATOM 557 O VAL A 41 0.685 11.083 -11.434 1.00 0.00 O ATOM 558 CB VAL A 41 -0.297 9.160 -9.090 1.00 0.00 C ATOM 559 CG1 VAL A 41 -0.799 7.898 -9.775 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.252 8.975 -7.580 1.00 0.00 C ATOM 0 H VAL A 41 1.154 11.520 -8.903 1.00 0.00 H new ATOM 0 HA VAL A 41 1.764 8.701 -9.529 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.994 9.967 -9.314 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.781 7.637 -9.382 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.872 8.071 -10.849 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.103 7.080 -9.586 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.242 8.697 -7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.459 8.188 -7.331 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.059 9.907 -7.108 1.00 0.00 H new ATOM 570 N ARG A 42 1.172 8.954 -11.976 1.00 0.00 N ATOM 571 CA ARG A 42 1.081 9.183 -13.413 1.00 0.00 C ATOM 572 C ARG A 42 0.095 8.214 -14.057 1.00 0.00 C ATOM 573 O ARG A 42 0.321 7.004 -14.073 1.00 0.00 O ATOM 574 CB ARG A 42 2.458 9.034 -14.063 1.00 0.00 C ATOM 575 CG ARG A 42 2.574 9.729 -15.409 1.00 0.00 C ATOM 576 CD ARG A 42 3.591 9.040 -16.305 1.00 0.00 C ATOM 577 NE ARG A 42 3.475 9.468 -17.697 1.00 0.00 N ATOM 578 CZ ARG A 42 2.524 9.044 -18.526 1.00 0.00 C ATOM 579 NH1 ARG A 42 1.605 8.183 -18.107 1.00 0.00 N ATOM 580 NH2 ARG A 42 2.490 9.483 -19.776 1.00 0.00 N ATOM 0 H ARG A 42 1.404 7.995 -11.716 1.00 0.00 H new ATOM 0 HA ARG A 42 0.720 10.199 -13.571 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.214 9.437 -13.389 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.677 7.974 -14.191 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.601 9.738 -15.900 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.865 10.769 -15.259 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.597 9.254 -15.943 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.454 7.960 -16.245 1.00 0.00 H new ATOM 0 HE ARG A 42 4.163 10.131 -18.055 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.625 7.843 -17.146 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.878 7.861 -18.746 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.193 10.146 -20.103 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.761 9.158 -20.411 1.00 0.00 H new ATOM 594 N ALA A 43 -1.000 8.752 -14.585 1.00 0.00 N ATOM 595 CA ALA A 43 -2.021 7.933 -15.227 1.00 0.00 C ATOM 596 C ALA A 43 -2.548 8.604 -16.492 1.00 0.00 C ATOM 597 O ALA A 43 -2.545 9.830 -16.602 1.00 0.00 O ATOM 598 CB ALA A 43 -3.161 7.658 -14.259 1.00 0.00 C ATOM 0 H ALA A 43 -1.203 9.752 -14.581 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.565 6.985 -15.513 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.916 7.046 -14.751 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.778 7.130 -13.386 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.607 8.602 -13.945 1.00 0.00 H new ATOM 604 N PRO A 44 -3.009 7.804 -17.470 1.00 0.00 N ATOM 605 CA PRO A 44 -3.540 8.323 -18.732 1.00 0.00 C ATOM 606 C PRO A 44 -4.953 8.882 -18.584 1.00 0.00 C ATOM 607 O PRO A 44 -5.882 8.438 -19.259 1.00 0.00 O ATOM 608 CB PRO A 44 -3.543 7.092 -19.636 1.00 0.00 C ATOM 609 CG PRO A 44 -3.735 5.947 -18.705 1.00 0.00 C ATOM 610 CD PRO A 44 -3.047 6.329 -17.420 1.00 0.00 C ATOM 0 HA PRO A 44 -2.949 9.154 -19.116 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.344 7.143 -20.373 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.607 7.002 -20.188 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.795 5.756 -18.537 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.308 5.033 -19.118 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.597 5.972 -16.549 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.045 5.904 -17.360 1.00 0.00 H new ATOM 618 N ASP A 45 -5.108 9.859 -17.695 1.00 0.00 N ATOM 619 CA ASP A 45 -6.408 10.478 -17.460 1.00 0.00 C ATOM 620 C ASP A 45 -6.350 11.980 -17.719 1.00 0.00 C ATOM 621 O ASP A 45 -7.272 12.556 -18.298 1.00 0.00 O ATOM 622 CB ASP A 45 -6.871 10.211 -16.026 1.00 0.00 C ATOM 623 CG ASP A 45 -8.316 10.614 -15.801 1.00 0.00 C ATOM 624 OD1 ASP A 45 -8.776 11.568 -16.464 1.00 0.00 O ATOM 625 OD2 ASP A 45 -8.986 9.977 -14.963 1.00 0.00 O ATOM 0 H ASP A 45 -4.351 10.238 -17.127 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.124 10.037 -18.153 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.753 9.151 -15.800 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.232 10.758 -15.333 1.00 0.00 H new ATOM 630 N HIS A 46 -5.262 12.609 -17.287 1.00 0.00 N ATOM 631 CA HIS A 46 -5.083 14.045 -17.474 1.00 0.00 C ATOM 632 C HIS A 46 -3.610 14.426 -17.376 1.00 0.00 C ATOM 633 O HIS A 46 -3.016 14.901 -18.344 1.00 0.00 O ATOM 634 CB HIS A 46 -5.894 14.821 -16.435 1.00 0.00 C ATOM 635 CG HIS A 46 -6.517 16.070 -16.973 1.00 0.00 C ATOM 636 ND1 HIS A 46 -7.866 16.342 -16.876 1.00 0.00 N ATOM 637 CD2 HIS A 46 -5.968 17.127 -17.620 1.00 0.00 C ATOM 638 CE1 HIS A 46 -8.120 17.509 -17.440 1.00 0.00 C ATOM 639 NE2 HIS A 46 -6.986 18.007 -17.898 1.00 0.00 N ATOM 0 H HIS A 46 -4.491 12.147 -16.805 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.441 14.304 -18.470 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.678 14.174 -16.041 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.245 15.080 -15.599 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.925 17.254 -17.870 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.091 17.977 -17.514 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.883 18.900 -18.380 1.00 0.00 H new ATOM 648 N SER A 47 -3.026 14.215 -16.201 1.00 0.00 N ATOM 649 CA SER A 47 -1.621 14.537 -15.976 1.00 0.00 C ATOM 650 C SER A 47 -1.187 14.124 -14.574 1.00 0.00 C ATOM 651 O SER A 47 -1.957 13.521 -13.826 1.00 0.00 O ATOM 652 CB SER A 47 -1.380 16.034 -16.177 1.00 0.00 C ATOM 653 OG SER A 47 -1.981 16.791 -15.142 1.00 0.00 O ATOM 0 H SER A 47 -3.504 13.822 -15.390 1.00 0.00 H new ATOM 0 HA SER A 47 -1.026 13.981 -16.700 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.309 16.233 -16.202 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.784 16.344 -17.140 1.00 0.00 H new ATOM 0 HG SER A 47 -1.811 17.744 -15.293 1.00 0.00 H new ATOM 659 N LEU A 48 0.051 14.455 -14.222 1.00 0.00 N ATOM 660 CA LEU A 48 0.588 14.119 -12.908 1.00 0.00 C ATOM 661 C LEU A 48 -0.237 14.769 -11.802 1.00 0.00 C ATOM 662 O LEU A 48 -0.811 15.842 -11.991 1.00 0.00 O ATOM 663 CB LEU A 48 2.048 14.565 -12.802 1.00 0.00 C ATOM 664 CG LEU A 48 3.079 13.502 -13.191 1.00 0.00 C ATOM 665 CD1 LEU A 48 4.354 14.158 -13.697 1.00 0.00 C ATOM 666 CD2 LEU A 48 3.377 12.593 -12.009 1.00 0.00 C ATOM 0 H LEU A 48 0.701 14.955 -14.828 1.00 0.00 H new ATOM 0 HA LEU A 48 0.537 13.037 -12.787 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.192 15.439 -13.437 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.242 14.880 -11.777 1.00 0.00 H new ATOM 0 HG LEU A 48 2.663 12.894 -13.995 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.076 13.388 -13.969 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.127 14.768 -14.571 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.774 14.789 -12.914 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.112 11.843 -12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.773 13.186 -11.185 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.460 12.097 -11.691 1.00 0.00 H new ATOM 678 N ARG A 49 -0.294 14.111 -10.649 1.00 0.00 N ATOM 679 CA ARG A 49 -1.050 14.626 -9.512 1.00 0.00 C ATOM 680 C ARG A 49 -0.330 14.332 -8.200 1.00 0.00 C ATOM 681 O ARG A 49 0.509 13.433 -8.130 1.00 0.00 O ATOM 682 CB ARG A 49 -2.452 14.012 -9.488 1.00 0.00 C ATOM 683 CG ARG A 49 -3.240 14.242 -10.766 1.00 0.00 C ATOM 684 CD ARG A 49 -3.701 15.685 -10.884 1.00 0.00 C ATOM 685 NE ARG A 49 -4.087 16.028 -12.251 1.00 0.00 N ATOM 686 CZ ARG A 49 -4.259 17.276 -12.682 1.00 0.00 C ATOM 687 NH1 ARG A 49 -4.082 18.301 -11.857 1.00 0.00 N ATOM 688 NH2 ARG A 49 -4.608 17.499 -13.941 1.00 0.00 N ATOM 0 H ARG A 49 0.174 13.221 -10.477 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.135 15.707 -9.622 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.367 12.940 -9.312 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.008 14.430 -8.648 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.623 13.985 -11.627 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.106 13.580 -10.785 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.547 15.851 -10.216 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.901 16.349 -10.556 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.233 15.267 -12.914 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.813 18.135 -10.887 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.215 19.255 -12.193 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.745 16.715 -14.579 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.740 18.455 -14.272 1.00 0.00 H new ATOM 702 N ARG A 50 -0.664 15.093 -7.165 1.00 0.00 N ATOM 703 CA ARG A 50 -0.049 14.915 -5.855 1.00 0.00 C ATOM 704 C ARG A 50 -1.028 14.270 -4.878 1.00 0.00 C ATOM 705 O ARG A 50 -2.058 14.855 -4.540 1.00 0.00 O ATOM 706 CB ARG A 50 0.428 16.260 -5.304 1.00 0.00 C ATOM 707 CG ARG A 50 1.827 16.643 -5.761 1.00 0.00 C ATOM 708 CD ARG A 50 2.872 16.286 -4.716 1.00 0.00 C ATOM 709 NE ARG A 50 4.051 17.144 -4.805 1.00 0.00 N ATOM 710 CZ ARG A 50 5.081 17.077 -3.965 1.00 0.00 C ATOM 711 NH1 ARG A 50 5.081 16.194 -2.974 1.00 0.00 N ATOM 712 NH2 ARG A 50 6.114 17.894 -4.117 1.00 0.00 N ATOM 0 H ARG A 50 -1.358 15.840 -7.207 1.00 0.00 H new ATOM 0 HA ARG A 50 0.810 14.254 -5.971 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.271 17.038 -5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.407 16.225 -4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.058 16.133 -6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.864 17.713 -5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.435 16.373 -3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.171 15.245 -4.843 1.00 0.00 H new ATOM 0 HE ARG A 50 4.087 17.835 -5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.289 15.563 -2.854 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.873 16.147 -2.333 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.119 18.574 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.904 17.843 -3.473 1.00 0.00 H new ATOM 726 N GLY A 51 -0.701 13.063 -4.429 1.00 0.00 N ATOM 727 CA GLY A 51 -1.561 12.360 -3.497 1.00 0.00 C ATOM 728 C GLY A 51 -0.797 11.797 -2.314 1.00 0.00 C ATOM 729 O GLY A 51 0.368 12.133 -2.103 1.00 0.00 O ATOM 0 H GLY A 51 0.145 12.559 -4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.333 13.040 -3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.069 11.548 -4.018 1.00 0.00 H new ATOM 733 N THR A 52 -1.455 10.939 -1.541 1.00 0.00 N ATOM 734 CA THR A 52 -0.831 10.328 -0.373 1.00 0.00 C ATOM 735 C THR A 52 -1.032 8.816 -0.376 1.00 0.00 C ATOM 736 O THR A 52 -2.070 8.319 -0.811 1.00 0.00 O ATOM 737 CB THR A 52 -1.406 10.929 0.911 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.752 12.289 0.716 1.00 0.00 O ATOM 739 CG2 THR A 52 -0.451 10.860 2.083 1.00 0.00 C ATOM 0 H THR A 52 -2.420 10.651 -1.702 1.00 0.00 H new ATOM 0 HA THR A 52 0.239 10.533 -0.415 1.00 0.00 H new ATOM 0 HB THR A 52 -2.285 10.328 1.144 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.119 12.656 1.547 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.920 11.303 2.961 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.204 9.819 2.290 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.460 11.409 1.843 1.00 0.00 H new ATOM 747 N VAL A 53 -0.032 8.091 0.114 1.00 0.00 N ATOM 748 CA VAL A 53 -0.100 6.636 0.168 1.00 0.00 C ATOM 749 C VAL A 53 -0.933 6.169 1.357 1.00 0.00 C ATOM 750 O VAL A 53 -0.690 6.571 2.495 1.00 0.00 O ATOM 751 CB VAL A 53 1.305 6.010 0.264 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.230 4.501 0.102 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.233 6.621 -0.775 1.00 0.00 C ATOM 0 H VAL A 53 0.834 8.487 0.479 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.574 6.308 -0.757 1.00 0.00 H new ATOM 0 HB VAL A 53 1.712 6.225 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.232 4.077 0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.602 4.081 0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.802 4.260 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.221 6.167 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.832 6.440 -1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.312 7.695 -0.606 1.00 0.00 H new ATOM 763 N MET A 54 -1.918 5.318 1.086 1.00 0.00 N ATOM 764 CA MET A 54 -2.788 4.797 2.133 1.00 0.00 C ATOM 765 C MET A 54 -2.679 3.278 2.227 1.00 0.00 C ATOM 766 O MET A 54 -2.608 2.717 3.320 1.00 0.00 O ATOM 767 CB MET A 54 -4.240 5.199 1.867 1.00 0.00 C ATOM 768 CG MET A 54 -4.426 6.690 1.640 1.00 0.00 C ATOM 769 SD MET A 54 -6.042 7.089 0.948 1.00 0.00 S ATOM 770 CE MET A 54 -5.873 6.430 -0.709 1.00 0.00 C ATOM 0 H MET A 54 -2.133 4.975 0.150 1.00 0.00 H new ATOM 0 HA MET A 54 -2.467 5.226 3.082 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.604 4.659 0.993 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.855 4.889 2.712 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.300 7.216 2.586 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.648 7.051 0.968 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.648 6.852 -1.349 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.892 6.691 -1.106 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.976 5.345 -0.681 1.00 0.00 H new ATOM 780 N TYR A 55 -2.667 2.618 1.073 1.00 0.00 N ATOM 781 CA TYR A 55 -2.567 1.164 1.026 1.00 0.00 C ATOM 782 C TYR A 55 -1.646 0.717 -0.104 1.00 0.00 C ATOM 783 O TYR A 55 -1.611 1.331 -1.170 1.00 0.00 O ATOM 784 CB TYR A 55 -3.954 0.543 0.845 1.00 0.00 C ATOM 785 CG TYR A 55 -4.091 -0.830 1.460 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.632 -1.960 0.794 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.678 -0.998 2.709 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.756 -3.218 1.354 1.00 0.00 C ATOM 789 CE2 TYR A 55 -4.805 -2.252 3.274 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.343 -3.358 2.593 1.00 0.00 C ATOM 791 OH TYR A 55 -4.467 -4.609 3.154 1.00 0.00 O ATOM 0 H TYR A 55 -2.725 3.067 0.159 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.143 0.823 1.971 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.699 1.205 1.287 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.177 0.478 -0.220 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.171 -1.854 -0.177 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.041 -0.134 3.246 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.395 -4.086 0.823 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.264 -2.366 4.245 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.901 -4.533 4.029 1.00 0.00 H new ATOM 801 N VAL A 56 -0.900 -0.358 0.136 1.00 0.00 N ATOM 802 CA VAL A 56 0.021 -0.886 -0.862 1.00 0.00 C ATOM 803 C VAL A 56 0.223 -2.388 -0.682 1.00 0.00 C ATOM 804 O VAL A 56 0.820 -2.831 0.298 1.00 0.00 O ATOM 805 CB VAL A 56 1.390 -0.186 -0.790 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.266 -0.603 -1.963 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.216 1.325 -0.756 1.00 0.00 C ATOM 0 H VAL A 56 -0.916 -0.879 1.013 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.426 -0.694 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 56 1.886 -0.492 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.230 -0.098 -1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.419 -1.682 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.777 -0.328 -2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.194 1.803 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.699 1.652 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.630 1.604 0.120 1.00 0.00 H new ATOM 817 N GLY A 57 -0.280 -3.166 -1.636 1.00 0.00 N ATOM 818 CA GLY A 57 -0.144 -4.609 -1.564 1.00 0.00 C ATOM 819 C GLY A 57 -0.768 -5.309 -2.754 1.00 0.00 C ATOM 820 O GLY A 57 -0.351 -5.103 -3.894 1.00 0.00 O ATOM 0 H GLY A 57 -0.779 -2.823 -2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.913 -4.869 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.611 -4.970 -0.648 1.00 0.00 H new ATOM 824 N LEU A 58 -1.771 -6.141 -2.491 1.00 0.00 N ATOM 825 CA LEU A 58 -2.455 -6.874 -3.550 1.00 0.00 C ATOM 826 C LEU A 58 -3.941 -6.530 -3.578 1.00 0.00 C ATOM 827 O LEU A 58 -4.448 -5.852 -2.685 1.00 0.00 O ATOM 828 CB LEU A 58 -2.273 -8.381 -3.354 1.00 0.00 C ATOM 829 CG LEU A 58 -0.827 -8.838 -3.151 1.00 0.00 C ATOM 830 CD1 LEU A 58 -0.777 -10.063 -2.252 1.00 0.00 C ATOM 831 CD2 LEU A 58 -0.168 -9.129 -4.490 1.00 0.00 C ATOM 0 H LEU A 58 -2.128 -6.324 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.015 -6.582 -4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.861 -8.693 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.682 -8.897 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.275 -8.033 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.259 -10.374 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.211 -9.820 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.343 -10.874 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.860 -9.453 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.719 -9.917 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.171 -8.226 -5.101 1.00 0.00 H new ATOM 843 N THR A 59 -4.633 -7.001 -4.611 1.00 0.00 N ATOM 844 CA THR A 59 -6.060 -6.743 -4.755 1.00 0.00 C ATOM 845 C THR A 59 -6.792 -7.985 -5.254 1.00 0.00 C ATOM 846 O THR A 59 -6.168 -9.000 -5.568 1.00 0.00 O ATOM 847 CB THR A 59 -6.295 -5.578 -5.717 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.803 -5.888 -7.009 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.636 -4.291 -5.270 1.00 0.00 C ATOM 0 H THR A 59 -4.228 -7.563 -5.360 1.00 0.00 H new ATOM 0 HA THR A 59 -6.456 -6.481 -3.774 1.00 0.00 H new ATOM 0 HB THR A 59 -7.374 -5.428 -5.732 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.498 -5.067 -7.449 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.842 -3.505 -5.997 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.032 -3.998 -4.297 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.559 -4.441 -5.193 1.00 0.00 H new ATOM 857 N ASP A 60 -8.116 -7.899 -5.322 1.00 0.00 N ATOM 858 CA ASP A 60 -8.932 -9.018 -5.782 1.00 0.00 C ATOM 859 C ASP A 60 -9.585 -8.700 -7.124 1.00 0.00 C ATOM 860 O ASP A 60 -9.796 -9.590 -7.949 1.00 0.00 O ATOM 861 CB ASP A 60 -10.004 -9.355 -4.742 1.00 0.00 C ATOM 862 CG ASP A 60 -9.858 -10.761 -4.196 1.00 0.00 C ATOM 863 OD1 ASP A 60 -9.903 -11.717 -4.998 1.00 0.00 O ATOM 864 OD2 ASP A 60 -9.698 -10.906 -2.965 1.00 0.00 O ATOM 0 H ASP A 60 -8.647 -7.067 -5.065 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.281 -9.882 -5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.946 -8.641 -3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.991 -9.244 -5.192 1.00 0.00 H new ATOM 869 N PHE A 61 -9.905 -7.427 -7.336 1.00 0.00 N ATOM 870 CA PHE A 61 -10.535 -6.995 -8.579 1.00 0.00 C ATOM 871 C PHE A 61 -9.566 -7.115 -9.751 1.00 0.00 C ATOM 872 O PHE A 61 -9.975 -7.379 -10.882 1.00 0.00 O ATOM 873 CB PHE A 61 -11.025 -5.551 -8.452 1.00 0.00 C ATOM 874 CG PHE A 61 -9.929 -4.568 -8.151 1.00 0.00 C ATOM 875 CD1 PHE A 61 -9.239 -3.944 -9.177 1.00 0.00 C ATOM 876 CD2 PHE A 61 -9.592 -4.268 -6.841 1.00 0.00 C ATOM 877 CE1 PHE A 61 -8.231 -3.039 -8.903 1.00 0.00 C ATOM 878 CE2 PHE A 61 -8.585 -3.363 -6.560 1.00 0.00 C ATOM 879 CZ PHE A 61 -7.904 -2.749 -7.593 1.00 0.00 C ATOM 0 H PHE A 61 -9.739 -6.678 -6.664 1.00 0.00 H new ATOM 0 HA PHE A 61 -11.389 -7.645 -8.770 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -11.518 -5.260 -9.380 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.775 -5.499 -7.663 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -9.492 -4.167 -10.203 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -10.122 -4.746 -6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.700 -2.559 -9.712 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.331 -3.137 -5.535 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.116 -2.043 -7.376 1.00 0.00 H new ATOM 889 N LYS A 62 -8.281 -6.921 -9.475 1.00 0.00 N ATOM 890 CA LYS A 62 -7.255 -7.009 -10.507 1.00 0.00 C ATOM 891 C LYS A 62 -6.012 -7.725 -9.983 1.00 0.00 C ATOM 892 O LYS A 62 -5.668 -7.606 -8.807 1.00 0.00 O ATOM 893 CB LYS A 62 -6.882 -5.610 -11.006 1.00 0.00 C ATOM 894 CG LYS A 62 -7.514 -5.253 -12.341 1.00 0.00 C ATOM 895 CD LYS A 62 -7.805 -3.764 -12.439 1.00 0.00 C ATOM 896 CE LYS A 62 -8.894 -3.474 -13.461 1.00 0.00 C ATOM 897 NZ LYS A 62 -10.196 -3.158 -12.811 1.00 0.00 N ATOM 0 H LYS A 62 -7.925 -6.702 -8.545 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.660 -7.587 -11.337 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.186 -4.874 -10.261 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.798 -5.543 -11.097 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.847 -5.549 -13.151 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.439 -5.815 -12.469 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.111 -3.387 -11.463 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.895 -3.232 -12.715 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.589 -2.637 -14.089 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.015 -4.336 -14.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.911 -2.967 -13.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.500 -3.967 -12.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.087 -2.320 -12.205 1.00 0.00 H new ATOM 911 N PRO A 63 -5.320 -8.482 -10.851 1.00 0.00 N ATOM 912 CA PRO A 63 -4.112 -9.217 -10.469 1.00 0.00 C ATOM 913 C PRO A 63 -2.911 -8.298 -10.275 1.00 0.00 C ATOM 914 O PRO A 63 -2.910 -7.156 -10.734 1.00 0.00 O ATOM 915 CB PRO A 63 -3.883 -10.155 -11.655 1.00 0.00 C ATOM 916 CG PRO A 63 -4.484 -9.444 -12.818 1.00 0.00 C ATOM 917 CD PRO A 63 -5.660 -8.679 -12.275 1.00 0.00 C ATOM 0 HA PRO A 63 -4.230 -9.732 -9.516 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.821 -10.344 -11.812 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.358 -11.122 -11.493 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.761 -8.772 -13.280 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.799 -10.150 -13.586 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.792 -7.728 -12.791 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.589 -9.237 -12.392 1.00 0.00 H new ATOM 925 N GLY A 64 -1.889 -8.805 -9.592 1.00 0.00 N ATOM 926 CA GLY A 64 -0.696 -8.015 -9.349 1.00 0.00 C ATOM 927 C GLY A 64 -0.809 -7.161 -8.102 1.00 0.00 C ATOM 928 O GLY A 64 -1.645 -7.421 -7.237 1.00 0.00 O ATOM 0 H GLY A 64 -1.866 -9.748 -9.203 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.163 -8.680 -9.254 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.508 -7.373 -10.209 1.00 0.00 H new ATOM 932 N TYR A 65 0.035 -6.139 -8.009 1.00 0.00 N ATOM 933 CA TYR A 65 0.028 -5.242 -6.859 1.00 0.00 C ATOM 934 C TYR A 65 -0.742 -3.963 -7.171 1.00 0.00 C ATOM 935 O TYR A 65 -1.109 -3.713 -8.319 1.00 0.00 O ATOM 936 CB TYR A 65 1.459 -4.902 -6.442 1.00 0.00 C ATOM 937 CG TYR A 65 2.142 -6.001 -5.659 1.00 0.00 C ATOM 938 CD1 TYR A 65 2.486 -7.201 -6.267 1.00 0.00 C ATOM 939 CD2 TYR A 65 2.440 -5.838 -4.312 1.00 0.00 C ATOM 940 CE1 TYR A 65 3.109 -8.208 -5.555 1.00 0.00 C ATOM 941 CE2 TYR A 65 3.064 -6.840 -3.594 1.00 0.00 C ATOM 942 CZ TYR A 65 3.396 -8.022 -4.219 1.00 0.00 C ATOM 943 OH TYR A 65 4.017 -9.023 -3.507 1.00 0.00 O ATOM 0 H TYR A 65 0.733 -5.911 -8.717 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.471 -5.752 -6.035 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.046 -4.685 -7.334 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.446 -3.993 -5.840 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.263 -7.350 -7.313 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.180 -4.913 -3.818 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.370 -9.136 -6.042 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.290 -6.697 -2.548 1.00 0.00 H new ATOM 0 HH TYR A 65 4.148 -8.732 -2.580 1.00 0.00 H new ATOM 953 N TRP A 66 -0.980 -3.157 -6.142 1.00 0.00 N ATOM 954 CA TRP A 66 -1.704 -1.902 -6.308 1.00 0.00 C ATOM 955 C TRP A 66 -1.341 -0.914 -5.205 1.00 0.00 C ATOM 956 O TRP A 66 -0.909 -1.309 -4.122 1.00 0.00 O ATOM 957 CB TRP A 66 -3.212 -2.156 -6.306 1.00 0.00 C ATOM 958 CG TRP A 66 -3.706 -2.793 -7.569 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.858 -4.128 -7.808 1.00 0.00 C ATOM 960 CD2 TRP A 66 -4.109 -2.121 -8.767 1.00 0.00 C ATOM 961 NE1 TRP A 66 -4.333 -4.328 -9.082 1.00 0.00 N ATOM 962 CE2 TRP A 66 -4.495 -3.111 -9.690 1.00 0.00 C ATOM 963 CE3 TRP A 66 -4.184 -0.778 -9.149 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.948 -2.800 -10.970 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.633 -0.470 -10.419 1.00 0.00 C ATOM 966 CH2 TRP A 66 -5.010 -1.478 -11.317 1.00 0.00 C ATOM 0 H TRP A 66 -0.683 -3.350 -5.186 1.00 0.00 H new ATOM 0 HA TRP A 66 -1.417 -1.469 -7.266 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.465 -2.796 -5.461 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.733 -1.210 -6.156 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.637 -4.913 -7.099 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -4.532 -5.234 -9.506 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.896 0.005 -8.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -5.240 -3.575 -11.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.694 0.564 -10.725 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -5.357 -1.206 -12.303 1.00 0.00 H new ATOM 977 N VAL A 67 -1.517 0.372 -5.488 1.00 0.00 N ATOM 978 CA VAL A 67 -1.206 1.417 -4.522 1.00 0.00 C ATOM 979 C VAL A 67 -2.319 2.458 -4.458 1.00 0.00 C ATOM 980 O VAL A 67 -2.511 3.233 -5.396 1.00 0.00 O ATOM 981 CB VAL A 67 0.122 2.121 -4.864 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.508 3.105 -3.768 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.225 1.098 -5.088 1.00 0.00 C ATOM 0 H VAL A 67 -1.874 0.715 -6.380 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.112 0.931 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.014 2.683 -5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.448 3.591 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.273 3.858 -3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.625 2.571 -2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.155 1.613 -5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.361 0.506 -4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.950 0.441 -5.913 1.00 0.00 H new ATOM 993 N GLY A 68 -3.048 2.471 -3.348 1.00 0.00 N ATOM 994 CA GLY A 68 -4.131 3.422 -3.183 1.00 0.00 C ATOM 995 C GLY A 68 -3.630 4.813 -2.846 1.00 0.00 C ATOM 996 O GLY A 68 -2.946 5.006 -1.842 1.00 0.00 O ATOM 0 H GLY A 68 -2.908 1.840 -2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.719 3.462 -4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.797 3.077 -2.392 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.968 5.783 -3.688 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.544 7.161 -3.476 1.00 0.00 C ATOM 1002 C VAL A 69 -4.731 8.118 -3.519 1.00 0.00 C ATOM 1003 O VAL A 69 -5.502 8.124 -4.478 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.509 7.600 -4.528 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.934 8.963 -4.179 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.403 6.562 -4.654 1.00 0.00 C ATOM 0 H VAL A 69 -4.535 5.640 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.086 7.199 -2.488 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.011 7.682 -5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.205 9.255 -4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.737 9.699 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.447 8.914 -3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.681 6.889 -5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.902 6.445 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.833 5.607 -4.958 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.868 8.927 -2.474 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.958 9.892 -2.391 1.00 0.00 C ATOM 1018 C ARG A 70 -5.462 11.298 -2.718 1.00 0.00 C ATOM 1019 O ARG A 70 -4.550 11.811 -2.068 1.00 0.00 O ATOM 1020 CB ARG A 70 -6.585 9.866 -0.995 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.712 10.872 -0.810 1.00 0.00 C ATOM 1022 CD ARG A 70 -7.615 11.581 0.533 1.00 0.00 C ATOM 1023 NE ARG A 70 -7.356 13.011 0.378 1.00 0.00 N ATOM 1024 CZ ARG A 70 -8.306 13.922 0.179 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -9.581 13.558 0.099 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -7.981 15.201 0.059 1.00 0.00 N ATOM 0 H ARG A 70 -4.237 8.934 -1.672 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.716 9.615 -3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.968 8.865 -0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.810 10.063 -0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.679 11.608 -1.614 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.672 10.361 -0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.543 11.438 1.087 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.818 11.130 1.125 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.388 13.330 0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.837 12.575 0.190 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.304 14.262 -0.054 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.004 15.487 0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.708 15.900 -0.094 1.00 0.00 H new ATOM 1040 N TYR A 71 -6.065 11.913 -3.729 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.684 13.258 -4.143 1.00 0.00 C ATOM 1042 C TYR A 71 -6.455 14.312 -3.357 1.00 0.00 C ATOM 1043 O TYR A 71 -7.464 14.010 -2.720 1.00 0.00 O ATOM 1044 CB TYR A 71 -5.930 13.441 -5.642 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.384 12.314 -6.489 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -4.015 12.135 -6.642 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.239 11.430 -7.136 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.513 11.106 -7.416 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -5.744 10.398 -7.911 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.381 10.241 -8.049 1.00 0.00 C ATOM 1051 OH TYR A 71 -3.885 9.216 -8.820 1.00 0.00 O ATOM 0 H TYR A 71 -6.820 11.501 -4.277 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.621 13.386 -3.937 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.002 13.529 -5.817 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.476 14.378 -5.964 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.332 12.811 -6.148 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.307 11.551 -7.032 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.446 10.980 -7.525 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.421 9.718 -8.406 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.629 8.699 -9.194 1.00 0.00 H new ATOM 1061 N ASP A 72 -5.976 15.550 -3.407 1.00 0.00 N ATOM 1062 CA ASP A 72 -6.620 16.650 -2.700 1.00 0.00 C ATOM 1063 C ASP A 72 -7.818 17.173 -3.486 1.00 0.00 C ATOM 1064 O ASP A 72 -8.821 17.590 -2.906 1.00 0.00 O ATOM 1065 CB ASP A 72 -5.623 17.782 -2.455 1.00 0.00 C ATOM 1066 CG ASP A 72 -4.828 17.586 -1.179 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -5.356 17.913 -0.095 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -3.678 17.106 -1.264 1.00 0.00 O ATOM 0 H ASP A 72 -5.142 15.817 -3.931 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.973 16.274 -1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.938 17.848 -3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.159 18.730 -2.404 1.00 0.00 H new ATOM 1073 N GLU A 73 -7.706 17.149 -4.811 1.00 0.00 N ATOM 1074 CA GLU A 73 -8.780 17.622 -5.677 1.00 0.00 C ATOM 1075 C GLU A 73 -9.623 16.454 -6.184 1.00 0.00 C ATOM 1076 O GLU A 73 -9.152 15.317 -6.243 1.00 0.00 O ATOM 1077 CB GLU A 73 -8.204 18.403 -6.859 1.00 0.00 C ATOM 1078 CG GLU A 73 -8.130 19.902 -6.619 1.00 0.00 C ATOM 1079 CD GLU A 73 -9.094 20.682 -7.491 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -8.721 21.015 -8.636 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -10.221 20.959 -7.030 1.00 0.00 O ATOM 0 H GLU A 73 -6.883 16.807 -5.307 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.421 18.283 -5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.204 18.029 -7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.816 18.214 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.346 20.109 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.114 20.247 -6.810 1.00 0.00 H new ATOM 1088 N PRO A 74 -10.886 16.720 -6.561 1.00 0.00 N ATOM 1089 CA PRO A 74 -11.793 15.684 -7.066 1.00 0.00 C ATOM 1090 C PRO A 74 -11.371 15.167 -8.437 1.00 0.00 C ATOM 1091 O PRO A 74 -11.939 15.550 -9.460 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.141 16.403 -7.157 1.00 0.00 C ATOM 1093 CG PRO A 74 -12.792 17.843 -7.309 1.00 0.00 C ATOM 1094 CD PRO A 74 -11.526 18.047 -6.524 1.00 0.00 C ATOM 0 HA PRO A 74 -11.808 14.805 -6.421 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.724 16.045 -8.006 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.741 16.233 -6.263 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.647 18.101 -8.358 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.592 18.480 -6.932 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.893 18.812 -6.974 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.733 18.365 -5.502 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.368 14.294 -8.452 1.00 0.00 N ATOM 1103 CA LEU A 75 -9.869 13.724 -9.697 1.00 0.00 C ATOM 1104 C LEU A 75 -9.535 12.246 -9.526 1.00 0.00 C ATOM 1105 O LEU A 75 -8.641 11.720 -10.189 1.00 0.00 O ATOM 1106 CB LEU A 75 -8.631 14.487 -10.171 1.00 0.00 C ATOM 1107 CG LEU A 75 -8.884 15.938 -10.583 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -7.568 16.674 -10.779 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -9.722 15.993 -11.851 1.00 0.00 C ATOM 0 H LEU A 75 -9.885 13.966 -7.615 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.654 13.815 -10.448 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.888 14.476 -9.373 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.197 13.955 -11.018 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.437 16.432 -9.784 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.768 17.705 -11.072 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.003 16.665 -9.847 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.988 16.181 -11.559 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.892 17.033 -12.130 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.195 15.483 -12.658 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.680 15.503 -11.676 1.00 0.00 H new ATOM 1121 N GLY A 76 -10.258 11.579 -8.631 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.023 10.168 -8.390 1.00 0.00 C ATOM 1123 C GLY A 76 -10.800 9.281 -9.342 1.00 0.00 C ATOM 1124 O GLY A 76 -11.145 9.698 -10.448 1.00 0.00 O ATOM 0 H GLY A 76 -11.002 11.991 -8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.958 9.958 -8.490 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.301 9.926 -7.364 1.00 0.00 H new ATOM 1128 N LYS A 77 -11.078 8.054 -8.913 1.00 0.00 N ATOM 1129 CA LYS A 77 -11.818 7.105 -9.737 1.00 0.00 C ATOM 1130 C LYS A 77 -12.539 6.076 -8.872 1.00 0.00 C ATOM 1131 O LYS A 77 -13.705 5.758 -9.110 1.00 0.00 O ATOM 1132 CB LYS A 77 -10.874 6.397 -10.711 1.00 0.00 C ATOM 1133 CG LYS A 77 -10.256 7.324 -11.746 1.00 0.00 C ATOM 1134 CD LYS A 77 -11.314 7.953 -12.639 1.00 0.00 C ATOM 1135 CE LYS A 77 -11.182 7.485 -14.080 1.00 0.00 C ATOM 1136 NZ LYS A 77 -12.507 7.350 -14.745 1.00 0.00 N ATOM 0 H LYS A 77 -10.802 7.694 -8.000 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.564 7.662 -10.304 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.076 5.916 -10.145 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.422 5.607 -11.225 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.692 8.109 -11.242 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.548 6.766 -12.358 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.305 7.700 -12.263 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.226 9.039 -12.599 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.567 8.193 -14.636 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.665 6.526 -14.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.372 7.029 -15.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.085 6.656 -14.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.991 8.271 -14.746 1.00 0.00 H new ATOM 1150 N ASN A 78 -11.839 5.555 -7.869 1.00 0.00 N ATOM 1151 CA ASN A 78 -12.413 4.559 -6.972 1.00 0.00 C ATOM 1152 C ASN A 78 -12.806 5.185 -5.638 1.00 0.00 C ATOM 1153 O ASN A 78 -12.509 6.350 -5.376 1.00 0.00 O ATOM 1154 CB ASN A 78 -11.419 3.419 -6.740 1.00 0.00 C ATOM 1155 CG ASN A 78 -11.333 2.479 -7.927 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -11.741 1.321 -7.846 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -10.800 2.974 -9.037 1.00 0.00 N ATOM 0 H ASN A 78 -10.873 5.806 -7.657 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.312 4.160 -7.442 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.432 3.836 -6.537 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.715 2.856 -5.855 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.716 2.388 -9.868 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.475 3.940 -9.059 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.474 4.402 -4.797 1.00 0.00 N ATOM 1165 CA ASP A 79 -13.910 4.877 -3.489 1.00 0.00 C ATOM 1166 C ASP A 79 -13.058 4.273 -2.378 1.00 0.00 C ATOM 1167 O ASP A 79 -12.847 4.893 -1.336 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.383 4.534 -3.260 1.00 0.00 C ATOM 1169 CG ASP A 79 -15.702 3.093 -3.610 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -15.248 2.189 -2.878 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -16.405 2.870 -4.618 1.00 0.00 O ATOM 0 H ASP A 79 -13.725 3.434 -4.999 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.790 5.960 -3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.638 4.716 -2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.005 5.197 -3.861 1.00 0.00 H new ATOM 1176 N GLY A 80 -12.572 3.057 -2.606 1.00 0.00 N ATOM 1177 CA GLY A 80 -11.749 2.388 -1.616 1.00 0.00 C ATOM 1178 C GLY A 80 -12.145 0.938 -1.419 1.00 0.00 C ATOM 1179 O GLY A 80 -11.315 0.104 -1.058 1.00 0.00 O ATOM 0 H GLY A 80 -12.734 2.523 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.704 2.438 -1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.828 2.916 -0.665 1.00 0.00 H new ATOM 1183 N SER A 81 -13.417 0.635 -1.660 1.00 0.00 N ATOM 1184 CA SER A 81 -13.922 -0.724 -1.509 1.00 0.00 C ATOM 1185 C SER A 81 -14.281 -1.323 -2.865 1.00 0.00 C ATOM 1186 O SER A 81 -15.345 -1.043 -3.415 1.00 0.00 O ATOM 1187 CB SER A 81 -15.146 -0.738 -0.591 1.00 0.00 C ATOM 1188 OG SER A 81 -14.761 -0.781 0.772 1.00 0.00 O ATOM 0 H SER A 81 -14.117 1.313 -1.961 1.00 0.00 H new ATOM 0 HA SER A 81 -13.135 -1.330 -1.060 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.751 0.150 -0.773 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.769 -1.602 -0.824 1.00 0.00 H new ATOM 0 HG SER A 81 -15.561 -0.787 1.338 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.384 -2.146 -3.398 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.604 -2.783 -4.691 1.00 0.00 C ATOM 1196 C VAL A 82 -13.770 -4.291 -4.540 1.00 0.00 C ATOM 1197 O VAL A 82 -12.906 -4.967 -3.982 1.00 0.00 O ATOM 1198 CB VAL A 82 -12.443 -2.500 -5.661 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -12.785 -2.987 -7.060 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -12.103 -1.017 -5.673 1.00 0.00 C ATOM 0 H VAL A 82 -12.498 -2.387 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.521 -2.359 -5.100 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.565 -3.046 -5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.952 -2.778 -7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.971 -4.061 -7.036 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.677 -2.472 -7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.280 -0.838 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.975 -0.446 -5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.810 -0.703 -4.671 1.00 0.00 H new ATOM 1210 N ASN A 83 -14.885 -4.811 -5.043 1.00 0.00 N ATOM 1211 CA ASN A 83 -15.164 -6.241 -4.967 1.00 0.00 C ATOM 1212 C ASN A 83 -15.208 -6.711 -3.517 1.00 0.00 C ATOM 1213 O ASN A 83 -14.928 -7.874 -3.222 1.00 0.00 O ATOM 1214 CB ASN A 83 -14.107 -7.030 -5.742 1.00 0.00 C ATOM 1215 CG ASN A 83 -14.481 -7.218 -7.198 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -15.035 -6.176 -7.806 1.00 0.00 O flip ATOM 1217 ND2 ASN A 83 -14.273 -8.288 -7.770 1.00 0.00 N flip ATOM 0 H ASN A 83 -15.610 -4.264 -5.507 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.141 -6.420 -5.416 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.151 -6.510 -5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -13.971 -8.006 -5.275 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -13.845 -9.062 -7.263 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -14.529 -8.400 -8.751 1.00 0.00 H new ATOM 1224 N GLY A 84 -15.560 -5.801 -2.616 1.00 0.00 N ATOM 1225 CA GLY A 84 -15.636 -6.141 -1.207 1.00 0.00 C ATOM 1226 C GLY A 84 -14.361 -5.809 -0.457 1.00 0.00 C ATOM 1227 O GLY A 84 -14.393 -5.531 0.742 1.00 0.00 O ATOM 0 H GLY A 84 -15.794 -4.833 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.470 -5.606 -0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -15.846 -7.206 -1.105 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.234 -5.838 -1.163 1.00 0.00 N ATOM 1232 CA LYS A 85 -11.943 -5.538 -0.554 1.00 0.00 C ATOM 1233 C LYS A 85 -11.813 -4.047 -0.261 1.00 0.00 C ATOM 1234 O LYS A 85 -11.937 -3.213 -1.159 1.00 0.00 O ATOM 1235 CB LYS A 85 -10.805 -5.995 -1.470 1.00 0.00 C ATOM 1236 CG LYS A 85 -10.141 -7.285 -1.014 1.00 0.00 C ATOM 1237 CD LYS A 85 -9.315 -7.071 0.243 1.00 0.00 C ATOM 1238 CE LYS A 85 -8.975 -8.389 0.920 1.00 0.00 C ATOM 1239 NZ LYS A 85 -9.077 -8.296 2.402 1.00 0.00 N ATOM 0 H LYS A 85 -13.189 -6.066 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.878 -6.080 0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.194 -6.133 -2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.053 -5.208 -1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.903 -8.041 -0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.502 -7.668 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.395 -6.544 -0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.866 -6.436 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.648 -9.167 0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.964 -8.688 0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.837 -9.215 2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.417 -7.572 2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.048 -8.036 2.667 1.00 0.00 H new ATOM 1253 N ARG A 86 -11.561 -3.717 1.001 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.413 -2.326 1.414 1.00 0.00 C ATOM 1255 C ARG A 86 -9.940 -1.948 1.531 1.00 0.00 C ATOM 1256 O ARG A 86 -9.108 -2.766 1.923 1.00 0.00 O ATOM 1257 CB ARG A 86 -12.120 -2.093 2.751 1.00 0.00 C ATOM 1258 CG ARG A 86 -12.381 -0.627 3.052 1.00 0.00 C ATOM 1259 CD ARG A 86 -12.724 -0.412 4.518 1.00 0.00 C ATOM 1260 NE ARG A 86 -14.165 -0.319 4.734 1.00 0.00 N ATOM 1261 CZ ARG A 86 -14.883 0.775 4.493 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -14.297 1.873 4.029 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -16.190 0.772 4.714 1.00 0.00 N ATOM 0 H ARG A 86 -11.455 -4.394 1.756 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.872 -1.695 0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.069 -2.630 2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.515 -2.518 3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.501 -0.039 2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.200 -0.267 2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.321 -1.234 5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.244 0.500 4.873 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.650 -1.142 5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.292 1.880 3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.852 2.709 3.846 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.645 -0.069 5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.740 1.611 4.529 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.624 -0.704 1.188 1.00 0.00 N ATOM 1278 CA TYR A 87 -8.250 -0.218 1.254 1.00 0.00 C ATOM 1279 C TYR A 87 -8.176 1.109 2.004 1.00 0.00 C ATOM 1280 O TYR A 87 -7.456 1.233 2.994 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.678 -0.054 -0.155 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.720 -1.323 -0.977 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -6.744 -2.301 -0.832 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -8.737 -1.542 -1.899 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -6.781 -3.462 -1.581 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -8.781 -2.701 -2.651 1.00 0.00 C ATOM 1287 CZ TYR A 87 -7.800 -3.657 -2.490 1.00 0.00 C ATOM 1288 OH TYR A 87 -7.840 -4.811 -3.237 1.00 0.00 O ATOM 0 H TYR A 87 -10.300 -0.014 0.861 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.656 -0.954 1.797 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.235 0.725 -0.676 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.645 0.287 -0.081 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -5.943 -2.152 -0.123 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.505 -0.794 -2.030 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -6.015 -4.213 -1.455 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.580 -2.857 -3.361 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.918 -5.584 -2.640 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.925 2.096 1.525 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.943 3.414 2.151 1.00 0.00 C ATOM 1300 C PHE A 88 -10.373 3.904 2.347 1.00 0.00 C ATOM 1301 O PHE A 88 -11.330 3.228 1.969 1.00 0.00 O ATOM 1302 CB PHE A 88 -8.160 4.416 1.300 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.756 4.644 -0.060 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -9.725 5.615 -0.253 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -8.346 3.887 -1.146 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -10.275 5.827 -1.503 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -8.893 4.094 -2.399 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.858 5.065 -2.577 1.00 0.00 C ATOM 0 H PHE A 88 -9.527 2.009 0.706 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.470 3.331 3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.108 5.368 1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.136 4.060 1.184 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.055 6.214 0.583 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.591 3.127 -1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.030 6.587 -1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.566 3.497 -3.237 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.286 5.229 -3.555 1.00 0.00 H new ATOM 1318 N GLU A 89 -10.512 5.085 2.944 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.827 5.666 3.192 1.00 0.00 C ATOM 1320 C GLU A 89 -11.959 7.026 2.512 1.00 0.00 C ATOM 1321 O GLU A 89 -11.335 8.002 2.925 1.00 0.00 O ATOM 1322 CB GLU A 89 -12.066 5.812 4.697 1.00 0.00 C ATOM 1323 CG GLU A 89 -12.564 4.538 5.359 1.00 0.00 C ATOM 1324 CD GLU A 89 -12.179 4.453 6.823 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -11.083 3.931 7.119 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -12.973 4.909 7.673 1.00 0.00 O ATOM 0 H GLU A 89 -9.731 5.657 3.264 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.578 4.996 2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.137 6.121 5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.792 6.607 4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.649 4.486 5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.159 3.676 4.830 1.00 0.00 H new ATOM 1333 N CYS A 90 -12.776 7.080 1.465 1.00 0.00 N ATOM 1334 CA CYS A 90 -12.993 8.318 0.727 1.00 0.00 C ATOM 1335 C CYS A 90 -14.033 8.121 -0.372 1.00 0.00 C ATOM 1336 O CYS A 90 -14.345 6.992 -0.749 1.00 0.00 O ATOM 1337 CB CYS A 90 -11.678 8.811 0.119 1.00 0.00 C ATOM 1338 SG CYS A 90 -11.600 10.602 -0.116 1.00 0.00 S ATOM 0 H CYS A 90 -13.299 6.280 1.109 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.366 9.068 1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.854 8.504 0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -11.529 8.322 -0.844 1.00 0.00 H new ATOM 0 HG CYS A 90 -11.111 11.159 0.952 1.00 0.00 H new ATOM 1344 N GLN A 91 -14.568 9.227 -0.880 1.00 0.00 N ATOM 1345 CA GLN A 91 -15.574 9.174 -1.935 1.00 0.00 C ATOM 1346 C GLN A 91 -15.035 8.452 -3.166 1.00 0.00 C ATOM 1347 O GLN A 91 -13.841 8.166 -3.255 1.00 0.00 O ATOM 1348 CB GLN A 91 -16.025 10.587 -2.310 1.00 0.00 C ATOM 1349 CG GLN A 91 -17.534 10.733 -2.430 1.00 0.00 C ATOM 1350 CD GLN A 91 -17.991 10.915 -3.864 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -18.634 9.892 -4.415 1.00 0.00 O flip ATOM 1352 NE2 GLN A 91 -17.770 11.964 -4.471 1.00 0.00 N flip ATOM 0 H GLN A 91 -14.322 10.170 -0.578 1.00 0.00 H new ATOM 0 HA GLN A 91 -16.431 8.616 -1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -15.659 11.287 -1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -15.565 10.867 -3.258 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -18.015 9.850 -2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -17.861 11.588 -1.837 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -17.272 12.725 -4.009 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -18.085 12.071 -5.435 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.922 8.163 -4.113 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.534 7.474 -5.339 1.00 0.00 C ATOM 1363 C ALA A 92 -15.150 8.467 -6.432 1.00 0.00 C ATOM 1364 O ALA A 92 -15.599 8.355 -7.573 1.00 0.00 O ATOM 1365 CB ALA A 92 -16.662 6.572 -5.814 1.00 0.00 C ATOM 0 H ALA A 92 -16.914 8.395 -4.055 1.00 0.00 H new ATOM 0 HA ALA A 92 -14.659 6.861 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.360 6.063 -6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -16.885 5.833 -5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.551 7.172 -6.009 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.317 9.439 -6.077 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.872 10.452 -7.028 1.00 0.00 C ATOM 1373 C LYS A 93 -12.651 11.198 -6.496 1.00 0.00 C ATOM 1374 O LYS A 93 -12.452 12.375 -6.795 1.00 0.00 O ATOM 1375 CB LYS A 93 -15.006 11.438 -7.320 1.00 0.00 C ATOM 1376 CG LYS A 93 -15.717 11.177 -8.637 1.00 0.00 C ATOM 1377 CD LYS A 93 -17.203 11.491 -8.542 1.00 0.00 C ATOM 1378 CE LYS A 93 -18.051 10.346 -9.075 1.00 0.00 C ATOM 1379 NZ LYS A 93 -19.506 10.661 -9.021 1.00 0.00 N ATOM 0 H LYS A 93 -13.936 9.547 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.591 9.950 -7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.733 11.392 -6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.602 12.450 -7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.266 11.784 -9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -15.582 10.134 -8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.468 11.689 -7.503 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -17.421 12.399 -9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.764 10.130 -10.104 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.853 9.446 -8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -20.049 9.856 -9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.786 10.842 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -19.700 11.505 -9.597 1.00 0.00 H new ATOM 1393 N TYR A 94 -11.837 10.505 -5.706 1.00 0.00 N ATOM 1394 CA TYR A 94 -10.638 11.103 -5.133 1.00 0.00 C ATOM 1395 C TYR A 94 -9.523 10.070 -5.001 1.00 0.00 C ATOM 1396 O TYR A 94 -8.394 10.301 -5.432 1.00 0.00 O ATOM 1397 CB TYR A 94 -10.949 11.711 -3.764 1.00 0.00 C ATOM 1398 CG TYR A 94 -11.927 12.863 -3.821 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -13.295 12.634 -3.909 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -11.483 14.179 -3.788 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -14.192 13.684 -3.961 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -12.375 15.234 -3.841 1.00 0.00 C ATOM 1403 CZ TYR A 94 -13.728 14.982 -3.927 1.00 0.00 C ATOM 1404 OH TYR A 94 -14.617 16.029 -3.978 1.00 0.00 O ATOM 0 H TYR A 94 -11.986 9.529 -5.449 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.300 11.892 -5.805 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.353 10.935 -3.114 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.020 12.056 -3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -13.663 11.619 -3.937 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -10.424 14.381 -3.720 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -15.252 13.489 -4.028 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -12.014 16.251 -3.815 1.00 0.00 H new ATOM 0 HH TYR A 94 -14.126 16.877 -3.943 1.00 0.00 H new ATOM 1414 N GLY A 95 -9.850 8.928 -4.404 1.00 0.00 N ATOM 1415 CA GLY A 95 -8.866 7.876 -4.227 1.00 0.00 C ATOM 1416 C GLY A 95 -8.832 6.910 -5.394 1.00 0.00 C ATOM 1417 O GLY A 95 -9.737 6.092 -5.557 1.00 0.00 O ATOM 0 H GLY A 95 -10.778 8.713 -4.040 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.880 8.323 -4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.087 7.327 -3.312 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.786 7.005 -6.209 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.638 6.132 -7.367 1.00 0.00 C ATOM 1423 C ALA A 96 -6.565 5.077 -7.125 1.00 0.00 C ATOM 1424 O ALA A 96 -5.577 5.328 -6.434 1.00 0.00 O ATOM 1425 CB ALA A 96 -7.307 6.951 -8.605 1.00 0.00 C ATOM 0 H ALA A 96 -7.029 7.678 -6.088 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.585 5.618 -7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.199 6.287 -9.463 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.110 7.663 -8.796 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.374 7.491 -8.445 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.765 3.895 -7.699 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.814 2.800 -7.546 1.00 0.00 C ATOM 1433 C PHE A 97 -4.845 2.752 -8.723 1.00 0.00 C ATOM 1434 O PHE A 97 -5.259 2.621 -9.875 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.554 1.468 -7.424 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.350 1.335 -6.157 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.728 1.409 -4.921 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.721 1.136 -6.202 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -7.457 1.287 -3.754 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -9.456 1.014 -5.038 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.823 1.090 -3.813 1.00 0.00 C ATOM 0 H PHE A 97 -7.577 3.671 -8.274 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.241 2.974 -6.635 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.223 1.354 -8.277 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.831 0.654 -7.476 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.660 1.564 -4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.221 1.076 -7.158 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.960 1.346 -2.797 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -10.524 0.859 -5.086 1.00 0.00 H new ATOM 0 HZ PHE A 97 -9.395 0.996 -2.902 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.554 2.857 -8.426 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.526 2.824 -9.459 1.00 0.00 C ATOM 1453 C VAL A 98 -1.486 1.747 -9.165 1.00 0.00 C ATOM 1454 O VAL A 98 -1.538 1.089 -8.125 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.817 4.184 -9.592 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.712 5.187 -10.302 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.400 4.705 -8.225 1.00 0.00 C ATOM 0 H VAL A 98 -3.195 2.966 -7.478 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.029 2.593 -10.398 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.918 4.046 -10.193 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.193 6.142 -10.386 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.955 4.817 -11.298 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.631 5.322 -9.731 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.900 5.667 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.283 4.827 -7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.718 3.995 -7.758 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.543 1.575 -10.086 1.00 0.00 N ATOM 1468 CA LYS A 99 0.508 0.577 -9.924 1.00 0.00 C ATOM 1469 C LYS A 99 1.794 1.215 -9.404 1.00 0.00 C ATOM 1470 O LYS A 99 2.083 2.375 -9.698 1.00 0.00 O ATOM 1471 CB LYS A 99 0.779 -0.129 -11.254 1.00 0.00 C ATOM 1472 CG LYS A 99 -0.484 -0.540 -11.992 1.00 0.00 C ATOM 1473 CD LYS A 99 -1.305 -1.530 -11.183 1.00 0.00 C ATOM 1474 CE LYS A 99 -0.811 -2.956 -11.373 1.00 0.00 C ATOM 1475 NZ LYS A 99 -1.890 -3.857 -11.862 1.00 0.00 N ATOM 0 H LYS A 99 -0.485 2.113 -10.951 1.00 0.00 H new ATOM 0 HA LYS A 99 0.167 -0.155 -9.193 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.365 0.531 -11.893 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.386 -1.015 -11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.085 0.344 -12.206 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.218 -0.984 -12.951 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -1.257 -1.266 -10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.352 -1.464 -11.481 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.016 -2.962 -12.083 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.423 -3.335 -10.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.684 -4.834 -11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.800 -3.560 -11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.940 -3.807 -12.900 1.00 0.00 H new ATOM 1489 N PRO A 100 2.586 0.460 -8.617 1.00 0.00 N ATOM 1490 CA PRO A 100 3.845 0.958 -8.060 1.00 0.00 C ATOM 1491 C PRO A 100 4.674 1.665 -9.121 1.00 0.00 C ATOM 1492 O PRO A 100 5.107 2.802 -8.934 1.00 0.00 O ATOM 1493 CB PRO A 100 4.544 -0.314 -7.584 1.00 0.00 C ATOM 1494 CG PRO A 100 3.434 -1.253 -7.258 1.00 0.00 C ATOM 1495 CD PRO A 100 2.316 -0.935 -8.216 1.00 0.00 C ATOM 0 HA PRO A 100 3.697 1.691 -7.267 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.194 -0.722 -8.358 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.169 -0.121 -6.712 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.756 -2.289 -7.367 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.109 -1.127 -6.225 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.321 -1.607 -9.074 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.340 -1.033 -7.740 1.00 0.00 H new ATOM 1503 N SER A 101 4.867 0.987 -10.249 1.00 0.00 N ATOM 1504 CA SER A 101 5.616 1.557 -11.358 1.00 0.00 C ATOM 1505 C SER A 101 4.986 2.882 -11.771 1.00 0.00 C ATOM 1506 O SER A 101 5.652 3.753 -12.330 1.00 0.00 O ATOM 1507 CB SER A 101 5.638 0.591 -12.543 1.00 0.00 C ATOM 1508 OG SER A 101 5.982 1.262 -13.743 1.00 0.00 O ATOM 0 H SER A 101 4.515 0.044 -10.416 1.00 0.00 H new ATOM 0 HA SER A 101 6.644 1.731 -11.039 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.354 -0.208 -12.351 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.660 0.123 -12.652 1.00 0.00 H new ATOM 0 HG SER A 101 5.990 0.622 -14.485 1.00 0.00 H new ATOM 1514 N ALA A 102 3.697 3.030 -11.468 1.00 0.00 N ATOM 1515 CA ALA A 102 2.977 4.253 -11.786 1.00 0.00 C ATOM 1516 C ALA A 102 3.113 5.265 -10.651 1.00 0.00 C ATOM 1517 O ALA A 102 2.817 6.448 -10.824 1.00 0.00 O ATOM 1518 CB ALA A 102 1.511 3.950 -12.056 1.00 0.00 C ATOM 0 H ALA A 102 3.134 2.317 -11.004 1.00 0.00 H new ATOM 0 HA ALA A 102 3.413 4.686 -12.686 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.986 4.875 -12.292 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.431 3.262 -12.898 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.065 3.495 -11.172 1.00 0.00 H new ATOM 1524 N VAL A 103 3.564 4.793 -9.487 1.00 0.00 N ATOM 1525 CA VAL A 103 3.740 5.662 -8.330 1.00 0.00 C ATOM 1526 C VAL A 103 5.181 6.151 -8.228 1.00 0.00 C ATOM 1527 O VAL A 103 6.123 5.384 -8.432 1.00 0.00 O ATOM 1528 CB VAL A 103 3.360 4.941 -7.021 1.00 0.00 C ATOM 1529 CG1 VAL A 103 3.409 5.905 -5.845 1.00 0.00 C ATOM 1530 CG2 VAL A 103 1.981 4.308 -7.141 1.00 0.00 C ATOM 0 H VAL A 103 3.812 3.817 -9.324 1.00 0.00 H new ATOM 0 HA VAL A 103 3.077 6.515 -8.470 1.00 0.00 H new ATOM 0 HB VAL A 103 4.086 4.148 -6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.138 5.377 -4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.417 6.308 -5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.707 6.722 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.730 3.804 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.242 5.082 -7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.983 3.584 -7.956 1.00 0.00 H new ATOM 1540 N THR A 104 5.347 7.431 -7.914 1.00 0.00 N ATOM 1541 CA THR A 104 6.675 8.021 -7.789 1.00 0.00 C ATOM 1542 C THR A 104 6.815 8.776 -6.470 1.00 0.00 C ATOM 1543 O THR A 104 6.152 9.788 -6.249 1.00 0.00 O ATOM 1544 CB THR A 104 6.948 8.965 -8.961 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.562 8.369 -10.186 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.403 9.363 -9.082 1.00 0.00 C ATOM 0 H THR A 104 4.579 8.080 -7.741 1.00 0.00 H new ATOM 0 HA THR A 104 7.406 7.213 -7.803 1.00 0.00 H new ATOM 0 HB THR A 104 6.359 9.859 -8.755 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.743 8.989 -10.923 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.527 10.033 -9.933 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.718 9.871 -8.171 1.00 0.00 H new ATOM 0 HG23 THR A 104 9.013 8.472 -9.230 1.00 0.00 H new ATOM 1554 N VAL A 105 7.685 8.275 -5.599 1.00 0.00 N ATOM 1555 CA VAL A 105 7.915 8.902 -4.303 1.00 0.00 C ATOM 1556 C VAL A 105 8.971 9.998 -4.405 1.00 0.00 C ATOM 1557 O VAL A 105 10.063 9.774 -4.928 1.00 0.00 O ATOM 1558 CB VAL A 105 8.362 7.868 -3.250 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.444 8.508 -1.872 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.418 6.675 -3.235 1.00 0.00 C ATOM 0 H VAL A 105 8.242 7.437 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 105 6.968 9.341 -3.989 1.00 0.00 H new ATOM 0 HB VAL A 105 9.356 7.512 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.761 7.762 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 105 9.165 9.325 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.465 8.896 -1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 105 7.751 5.957 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.410 7.012 -2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.416 6.200 -4.216 1.00 0.00 H new ATOM 1570 N GLY A 106 8.638 11.181 -3.901 1.00 0.00 N ATOM 1571 CA GLY A 106 9.569 12.294 -3.945 1.00 0.00 C ATOM 1572 C GLY A 106 10.340 12.457 -2.650 1.00 0.00 C ATOM 1573 O GLY A 106 11.483 12.914 -2.654 1.00 0.00 O ATOM 0 H GLY A 106 7.741 11.389 -3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.271 12.144 -4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.022 13.213 -4.157 1.00 0.00 H new