USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 641 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: A 37 ASN : amide:sc= -0.368 K(o=-1.3,f=-2.5) USER MOD Set 1.2: A 40 GLN :FLIP amide:sc= -0.972 F(o=-5.6!,f=-1.3) USER MOD Single : A 7 GLN : amide:sc= 0.63 K(o=0.63,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 13 ASN : amide:sc= 0.593 K(o=0.59,f=-5.9!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -82:sc= 1.31 USER MOD Single : A 44 HIS : no HD1:sc= -0.684 X(o=-0.68,f=-0.43) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= -3.42! (180deg=-4.58!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.25 X(o=0.25,f=0.077) USER MOD Single : A 56 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.013) USER MOD Single : A 59 TYR OH : rot -110:sc= -0.159 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.36! C(o=-3.4!,f=-9.3!) USER MOD Single : A 73 THR OG1 : rot 33:sc= -0.0357 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0.49 X(o=0.49,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -130:sc= -1.64 USER MOD Single : A 85 SER OG : rot -55:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 57 N GLU A 5 -21.604 12.082 8.110 1.00 0.00 N ATOM 58 CA GLU A 5 -22.124 10.724 8.377 1.00 0.00 C ATOM 59 C GLU A 5 -23.438 10.432 7.618 1.00 0.00 C ATOM 60 O GLU A 5 -23.756 11.139 6.666 1.00 0.00 O ATOM 61 CB GLU A 5 -22.219 10.507 9.902 1.00 0.00 C ATOM 62 CG GLU A 5 -22.894 11.596 10.751 1.00 0.00 C ATOM 63 CD GLU A 5 -24.305 11.961 10.290 1.00 0.00 C ATOM 64 OE1 GLU A 5 -24.378 12.878 9.441 1.00 0.00 O ATOM 65 OE2 GLU A 5 -25.253 11.296 10.753 1.00 0.00 O ATOM 0 HA GLU A 5 -21.424 9.988 7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.754 9.573 10.072 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.207 10.368 10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -22.937 11.259 11.787 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -22.274 12.492 10.733 1.00 0.00 H new ATOM 72 N ALA A 6 -24.146 9.361 7.994 1.00 0.00 N ATOM 73 CA ALA A 6 -25.459 8.937 7.446 1.00 0.00 C ATOM 74 C ALA A 6 -25.589 8.751 5.917 1.00 0.00 C ATOM 75 O ALA A 6 -26.686 8.522 5.412 1.00 0.00 O ATOM 76 CB ALA A 6 -26.560 9.862 7.986 1.00 0.00 C ATOM 0 H ALA A 6 -23.812 8.730 8.722 1.00 0.00 H new ATOM 0 HA ALA A 6 -25.570 7.914 7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -27.525 9.552 7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -26.584 9.803 9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -26.354 10.889 7.683 1.00 0.00 H new ATOM 82 N GLN A 7 -24.450 8.477 5.281 1.00 0.00 N ATOM 83 CA GLN A 7 -24.279 8.320 3.816 1.00 0.00 C ATOM 84 C GLN A 7 -25.305 7.444 3.058 1.00 0.00 C ATOM 85 O GLN A 7 -25.693 7.793 1.947 1.00 0.00 O ATOM 86 CB GLN A 7 -22.855 7.787 3.586 1.00 0.00 C ATOM 87 CG GLN A 7 -22.405 7.711 2.121 1.00 0.00 C ATOM 88 CD GLN A 7 -22.143 9.091 1.512 1.00 0.00 C ATOM 89 OE1 GLN A 7 -23.006 9.750 0.957 1.00 0.00 O ATOM 90 NE2 GLN A 7 -20.913 9.545 1.604 1.00 0.00 N ATOM 0 H GLN A 7 -23.573 8.350 5.787 1.00 0.00 H new ATOM 0 HA GLN A 7 -24.460 9.307 3.390 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -22.156 8.423 4.130 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -22.784 6.790 4.021 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -21.498 7.111 2.054 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -23.169 7.199 1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -20.197 8.987 2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -20.674 10.455 1.210 1.00 0.00 H new ATOM 99 N TYR A 8 -25.771 6.362 3.692 1.00 0.00 N ATOM 100 CA TYR A 8 -26.578 5.297 3.042 1.00 0.00 C ATOM 101 C TYR A 8 -26.904 4.151 4.021 1.00 0.00 C ATOM 102 O TYR A 8 -28.062 3.853 4.284 1.00 0.00 O ATOM 103 CB TYR A 8 -25.878 4.727 1.790 1.00 0.00 C ATOM 104 CG TYR A 8 -26.704 3.701 1.003 1.00 0.00 C ATOM 105 CD1 TYR A 8 -28.081 3.842 0.845 1.00 0.00 C ATOM 106 CD2 TYR A 8 -26.072 2.563 0.518 1.00 0.00 C ATOM 107 CE1 TYR A 8 -28.820 2.839 0.232 1.00 0.00 C ATOM 108 CE2 TYR A 8 -26.808 1.560 -0.099 1.00 0.00 C ATOM 109 CZ TYR A 8 -28.184 1.698 -0.235 1.00 0.00 C ATOM 110 OH TYR A 8 -28.921 0.704 -0.793 1.00 0.00 O ATOM 0 H TYR A 8 -25.602 6.190 4.683 1.00 0.00 H new ATOM 0 HA TYR A 8 -27.511 5.767 2.732 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -25.622 5.553 1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -24.941 4.261 2.095 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -28.575 4.734 1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -25.002 2.458 0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -29.889 2.947 0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -26.313 0.676 -0.472 1.00 0.00 H new ATOM 0 HH TYR A 8 -28.329 -0.026 -1.071 1.00 0.00 H new ATOM 120 N VAL A 9 -25.836 3.525 4.518 1.00 0.00 N ATOM 121 CA VAL A 9 -25.825 2.427 5.517 1.00 0.00 C ATOM 122 C VAL A 9 -26.646 1.185 5.086 1.00 0.00 C ATOM 123 O VAL A 9 -27.769 0.962 5.532 1.00 0.00 O ATOM 124 CB VAL A 9 -26.253 2.908 6.929 1.00 0.00 C ATOM 125 CG1 VAL A 9 -25.840 1.892 8.000 1.00 0.00 C ATOM 126 CG2 VAL A 9 -25.722 4.292 7.325 1.00 0.00 C ATOM 0 H VAL A 9 -24.893 3.778 4.223 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.784 2.109 5.570 1.00 0.00 H new ATOM 0 HB VAL A 9 -27.338 2.994 6.872 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.151 2.251 8.981 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -26.318 0.934 7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.757 1.768 7.985 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -26.072 4.543 8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.632 4.280 7.314 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -26.084 5.037 6.616 1.00 0.00 H new ATOM 136 N ALA A 10 -26.042 0.369 4.221 1.00 0.00 N ATOM 137 CA ALA A 10 -26.567 -0.970 3.872 1.00 0.00 C ATOM 138 C ALA A 10 -25.464 -2.051 3.957 1.00 0.00 C ATOM 139 O ALA A 10 -24.680 -2.187 3.013 1.00 0.00 O ATOM 140 CB ALA A 10 -27.226 -0.929 2.487 1.00 0.00 C ATOM 0 H ALA A 10 -25.176 0.609 3.738 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.328 -1.247 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -27.610 -1.918 2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -28.047 -0.213 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -26.489 -0.627 1.742 1.00 0.00 H new ATOM 146 N PRO A 11 -25.280 -2.674 5.135 1.00 0.00 N ATOM 147 CA PRO A 11 -24.212 -3.668 5.377 1.00 0.00 C ATOM 148 C PRO A 11 -24.436 -5.010 4.653 1.00 0.00 C ATOM 149 O PRO A 11 -24.985 -5.040 3.552 1.00 0.00 O ATOM 150 CB PRO A 11 -24.139 -3.765 6.907 1.00 0.00 C ATOM 151 CG PRO A 11 -25.579 -3.512 7.346 1.00 0.00 C ATOM 152 CD PRO A 11 -26.058 -2.438 6.369 1.00 0.00 C ATOM 0 HA PRO A 11 -23.255 -3.363 4.953 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -23.786 -4.744 7.231 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -23.456 -3.025 7.324 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -26.185 -4.416 7.280 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -25.631 -3.169 8.379 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -27.129 -2.522 6.183 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -25.880 -1.437 6.763 1.00 0.00 H new ATOM 160 N THR A 12 -23.904 -6.096 5.217 1.00 0.00 N ATOM 161 CA THR A 12 -23.996 -7.456 4.631 1.00 0.00 C ATOM 162 C THR A 12 -23.671 -8.501 5.714 1.00 0.00 C ATOM 163 O THR A 12 -24.550 -8.910 6.465 1.00 0.00 O ATOM 164 CB THR A 12 -23.067 -7.683 3.415 1.00 0.00 C ATOM 165 OG1 THR A 12 -22.803 -6.473 2.699 1.00 0.00 O ATOM 166 CG2 THR A 12 -23.665 -8.727 2.469 1.00 0.00 C ATOM 0 H THR A 12 -23.392 -6.068 6.099 1.00 0.00 H new ATOM 0 HA THR A 12 -25.017 -7.563 4.266 1.00 0.00 H new ATOM 0 HB THR A 12 -22.118 -8.048 3.806 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.212 -6.664 1.941 1.00 0.00 H new ATOM 0 HG21 THR A 12 -22.998 -8.873 1.620 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.789 -9.671 3.000 1.00 0.00 H new ATOM 0 HG23 THR A 12 -24.635 -8.382 2.112 1.00 0.00 H new ATOM 174 N ASN A 13 -22.376 -8.736 5.916 1.00 0.00 N ATOM 175 CA ASN A 13 -21.846 -9.750 6.849 1.00 0.00 C ATOM 176 C ASN A 13 -21.177 -9.113 8.083 1.00 0.00 C ATOM 177 O ASN A 13 -21.120 -7.886 8.200 1.00 0.00 O ATOM 178 CB ASN A 13 -20.866 -10.642 6.064 1.00 0.00 C ATOM 179 CG ASN A 13 -19.705 -9.869 5.423 1.00 0.00 C ATOM 180 OD1 ASN A 13 -19.056 -9.024 6.028 1.00 0.00 O ATOM 181 ND2 ASN A 13 -19.486 -10.100 4.149 1.00 0.00 N ATOM 0 H ASN A 13 -21.643 -8.220 5.429 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.666 -10.351 7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -20.460 -11.399 6.735 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.414 -11.169 5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.768 -9.573 3.651 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -20.033 -10.806 3.657 1.00 0.00 H new ATOM 188 N ALA A 14 -20.586 -9.968 8.922 1.00 0.00 N ATOM 189 CA ALA A 14 -19.825 -9.568 10.124 1.00 0.00 C ATOM 190 C ALA A 14 -18.791 -8.463 9.846 1.00 0.00 C ATOM 191 O ALA A 14 -19.043 -7.327 10.234 1.00 0.00 O ATOM 192 CB ALA A 14 -19.163 -10.800 10.752 1.00 0.00 C ATOM 0 H ALA A 14 -20.620 -10.979 8.788 1.00 0.00 H new ATOM 0 HA ALA A 14 -20.536 -9.138 10.830 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.603 -10.500 11.638 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -19.930 -11.521 11.034 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -18.485 -11.256 10.031 1.00 0.00 H new ATOM 198 N VAL A 15 -17.856 -8.721 8.927 1.00 0.00 N ATOM 199 CA VAL A 15 -16.787 -7.769 8.534 1.00 0.00 C ATOM 200 C VAL A 15 -17.379 -6.416 8.081 1.00 0.00 C ATOM 201 O VAL A 15 -17.086 -5.388 8.689 1.00 0.00 O ATOM 202 CB VAL A 15 -15.879 -8.397 7.452 1.00 0.00 C ATOM 203 CG1 VAL A 15 -14.767 -7.449 6.986 1.00 0.00 C ATOM 204 CG2 VAL A 15 -15.221 -9.684 7.961 1.00 0.00 C ATOM 0 H VAL A 15 -17.811 -9.606 8.422 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.168 -7.563 9.407 1.00 0.00 H new ATOM 0 HB VAL A 15 -16.536 -8.611 6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.162 -7.944 6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.211 -6.547 6.565 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.137 -7.182 7.835 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.588 -10.103 7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.613 -9.460 8.838 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -15.993 -10.406 8.229 1.00 0.00 H new ATOM 214 N GLU A 16 -18.359 -6.486 7.178 1.00 0.00 N ATOM 215 CA GLU A 16 -19.133 -5.326 6.685 1.00 0.00 C ATOM 216 C GLU A 16 -19.701 -4.453 7.820 1.00 0.00 C ATOM 217 O GLU A 16 -19.226 -3.339 8.041 1.00 0.00 O ATOM 218 CB GLU A 16 -20.271 -5.816 5.782 1.00 0.00 C ATOM 219 CG GLU A 16 -19.856 -6.030 4.323 1.00 0.00 C ATOM 220 CD GLU A 16 -19.817 -4.735 3.500 1.00 0.00 C ATOM 221 OE1 GLU A 16 -20.645 -3.834 3.769 1.00 0.00 O ATOM 222 OE2 GLU A 16 -18.940 -4.668 2.615 1.00 0.00 O ATOM 0 H GLU A 16 -18.650 -7.367 6.754 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.444 -4.697 6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.660 -6.753 6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.086 -5.093 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.871 -6.496 4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.550 -6.728 3.855 1.00 0.00 H new ATOM 229 N SER A 17 -20.576 -5.058 8.624 1.00 0.00 N ATOM 230 CA SER A 17 -21.295 -4.365 9.715 1.00 0.00 C ATOM 231 C SER A 17 -20.368 -3.932 10.862 1.00 0.00 C ATOM 232 O SER A 17 -20.273 -2.741 11.160 1.00 0.00 O ATOM 233 CB SER A 17 -22.419 -5.255 10.257 1.00 0.00 C ATOM 234 OG SER A 17 -23.241 -4.495 11.144 1.00 0.00 O ATOM 0 H SER A 17 -20.813 -6.047 8.544 1.00 0.00 H new ATOM 0 HA SER A 17 -21.717 -3.456 9.286 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.017 -5.645 9.434 1.00 0.00 H new ATOM 0 HB3 SER A 17 -21.998 -6.114 10.780 1.00 0.00 H new ATOM 0 HG SER A 17 -23.961 -5.063 11.490 1.00 0.00 H new ATOM 240 N LYS A 18 -19.516 -4.859 11.302 1.00 0.00 N ATOM 241 CA LYS A 18 -18.573 -4.645 12.415 1.00 0.00 C ATOM 242 C LYS A 18 -17.576 -3.521 12.103 1.00 0.00 C ATOM 243 O LYS A 18 -17.475 -2.579 12.882 1.00 0.00 O ATOM 244 CB LYS A 18 -17.824 -5.943 12.749 1.00 0.00 C ATOM 245 CG LYS A 18 -17.149 -5.900 14.125 1.00 0.00 C ATOM 246 CD LYS A 18 -18.190 -5.881 15.248 1.00 0.00 C ATOM 247 CE LYS A 18 -17.532 -5.736 16.620 1.00 0.00 C ATOM 248 NZ LYS A 18 -18.552 -5.768 17.679 1.00 0.00 N ATOM 0 H LYS A 18 -19.456 -5.792 10.895 1.00 0.00 H new ATOM 0 HA LYS A 18 -19.157 -4.342 13.284 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.523 -6.779 12.718 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.070 -6.129 11.985 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.499 -6.767 14.242 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.516 -5.015 14.196 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.885 -5.056 15.088 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.775 -6.801 15.219 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.813 -6.541 16.773 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.977 -4.799 16.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.093 -5.669 18.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.222 -4.985 17.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.063 -6.673 17.641 1.00 0.00 H new ATOM 262 N LEU A 19 -16.981 -3.540 10.911 1.00 0.00 N ATOM 263 CA LEU A 19 -16.087 -2.447 10.489 1.00 0.00 C ATOM 264 C LEU A 19 -16.786 -1.106 10.248 1.00 0.00 C ATOM 265 O LEU A 19 -16.268 -0.092 10.702 1.00 0.00 O ATOM 266 CB LEU A 19 -15.176 -2.818 9.315 1.00 0.00 C ATOM 267 CG LEU A 19 -13.857 -3.504 9.705 1.00 0.00 C ATOM 268 CD1 LEU A 19 -13.034 -2.637 10.667 1.00 0.00 C ATOM 269 CD2 LEU A 19 -14.070 -4.926 10.229 1.00 0.00 C ATOM 0 H LEU A 19 -17.095 -4.286 10.225 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.448 -2.299 11.359 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.726 -3.477 8.643 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.945 -1.912 8.754 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.269 -3.609 8.793 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.108 -3.154 10.921 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.799 -1.686 10.189 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.609 -2.455 11.575 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.107 -5.366 10.490 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.707 -4.896 11.113 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.547 -5.530 9.458 1.00 0.00 H new ATOM 281 N ALA A 20 -18.006 -1.121 9.707 1.00 0.00 N ATOM 282 CA ALA A 20 -18.846 0.097 9.631 1.00 0.00 C ATOM 283 C ALA A 20 -19.094 0.706 11.028 1.00 0.00 C ATOM 284 O ALA A 20 -18.851 1.895 11.236 1.00 0.00 O ATOM 285 CB ALA A 20 -20.173 -0.218 8.935 1.00 0.00 C ATOM 0 H ALA A 20 -18.442 -1.955 9.314 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.306 0.840 9.043 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.781 0.685 8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.978 -0.580 7.926 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.706 -0.984 9.498 1.00 0.00 H new ATOM 291 N GLU A 21 -19.382 -0.170 11.994 1.00 0.00 N ATOM 292 CA GLU A 21 -19.474 0.141 13.438 1.00 0.00 C ATOM 293 C GLU A 21 -18.155 0.726 13.984 1.00 0.00 C ATOM 294 O GLU A 21 -18.139 1.860 14.462 1.00 0.00 O ATOM 295 CB GLU A 21 -19.870 -1.149 14.172 1.00 0.00 C ATOM 296 CG GLU A 21 -20.015 -1.013 15.693 1.00 0.00 C ATOM 297 CD GLU A 21 -20.081 -2.372 16.403 1.00 0.00 C ATOM 298 OE1 GLU A 21 -20.739 -3.296 15.873 1.00 0.00 O ATOM 299 OE2 GLU A 21 -19.491 -2.455 17.502 1.00 0.00 O ATOM 0 H GLU A 21 -19.566 -1.153 11.793 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.229 0.909 13.603 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.815 -1.506 13.763 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.122 -1.913 13.961 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.173 -0.443 16.085 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.917 -0.445 15.919 1.00 0.00 H new ATOM 306 N ILE A 22 -17.053 -0.001 13.789 1.00 0.00 N ATOM 307 CA ILE A 22 -15.696 0.413 14.215 1.00 0.00 C ATOM 308 C ILE A 22 -15.335 1.794 13.634 1.00 0.00 C ATOM 309 O ILE A 22 -15.135 2.733 14.403 1.00 0.00 O ATOM 310 CB ILE A 22 -14.659 -0.683 13.864 1.00 0.00 C ATOM 311 CG1 ILE A 22 -14.955 -2.033 14.547 1.00 0.00 C ATOM 312 CG2 ILE A 22 -13.204 -0.257 14.113 1.00 0.00 C ATOM 313 CD1 ILE A 22 -15.115 -2.019 16.076 1.00 0.00 C ATOM 0 H ILE A 22 -17.068 -0.909 13.325 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.681 0.524 15.299 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.770 -0.824 12.789 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -15.869 -2.439 14.114 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.150 -2.724 14.297 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.535 -1.074 13.845 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.972 0.617 13.504 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.072 -0.011 15.167 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -15.320 -3.029 16.430 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -14.196 -1.653 16.535 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -15.942 -1.364 16.349 1.00 0.00 H new ATOM 325 N TRP A 23 -15.503 1.951 12.322 1.00 0.00 N ATOM 326 CA TRP A 23 -15.267 3.224 11.613 1.00 0.00 C ATOM 327 C TRP A 23 -16.083 4.389 12.188 1.00 0.00 C ATOM 328 O TRP A 23 -15.490 5.268 12.806 1.00 0.00 O ATOM 329 CB TRP A 23 -15.495 3.077 10.102 1.00 0.00 C ATOM 330 CG TRP A 23 -14.493 2.149 9.400 1.00 0.00 C ATOM 331 CD1 TRP A 23 -14.809 1.248 8.470 1.00 0.00 C ATOM 332 CD2 TRP A 23 -13.147 1.971 9.696 1.00 0.00 C ATOM 333 NE1 TRP A 23 -13.741 0.504 8.180 1.00 0.00 N ATOM 334 CE2 TRP A 23 -12.712 0.905 8.924 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.270 2.591 10.581 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.413 0.432 9.059 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -10.977 2.112 10.724 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.552 1.023 9.976 1.00 0.00 C ATOM 0 H TRP A 23 -15.809 1.196 11.709 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.218 3.472 11.774 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.503 2.698 9.933 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.444 4.063 9.641 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -15.784 1.137 8.019 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -13.716 -0.253 7.496 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.597 3.445 11.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -11.073 -0.394 8.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.300 2.587 11.418 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.553 0.635 10.106 1.00 0.00 H new ATOM 349 N GLU A 24 -17.407 4.234 12.249 1.00 0.00 N ATOM 350 CA GLU A 24 -18.309 5.279 12.786 1.00 0.00 C ATOM 351 C GLU A 24 -18.084 5.668 14.261 1.00 0.00 C ATOM 352 O GLU A 24 -18.538 6.732 14.688 1.00 0.00 O ATOM 353 CB GLU A 24 -19.779 4.924 12.524 1.00 0.00 C ATOM 354 CG GLU A 24 -20.316 3.694 13.267 1.00 0.00 C ATOM 355 CD GLU A 24 -21.639 3.161 12.704 1.00 0.00 C ATOM 356 OE1 GLU A 24 -21.902 3.400 11.501 1.00 0.00 O ATOM 357 OE2 GLU A 24 -22.348 2.496 13.486 1.00 0.00 O ATOM 0 H GLU A 24 -17.890 3.393 11.933 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.043 6.178 12.230 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.393 5.783 12.793 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.908 4.762 11.454 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.569 2.901 13.226 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.455 3.948 14.318 1.00 0.00 H new ATOM 364 N ARG A 25 -17.573 4.711 15.037 1.00 0.00 N ATOM 365 CA ARG A 25 -17.141 4.914 16.431 1.00 0.00 C ATOM 366 C ARG A 25 -15.778 5.635 16.504 1.00 0.00 C ATOM 367 O ARG A 25 -15.714 6.798 16.904 1.00 0.00 O ATOM 368 CB ARG A 25 -17.081 3.542 17.117 1.00 0.00 C ATOM 369 CG ARG A 25 -17.254 3.619 18.636 1.00 0.00 C ATOM 370 CD ARG A 25 -18.712 3.912 19.001 1.00 0.00 C ATOM 371 NE ARG A 25 -18.864 3.961 20.465 1.00 0.00 N ATOM 372 CZ ARG A 25 -20.003 4.139 21.139 1.00 0.00 C ATOM 373 NH1 ARG A 25 -21.182 4.239 20.538 1.00 0.00 N ATOM 374 NH2 ARG A 25 -19.984 4.177 22.462 1.00 0.00 N ATOM 0 H ARG A 25 -17.443 3.753 14.713 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.856 5.556 16.945 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -17.858 2.901 16.701 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -16.124 3.071 16.890 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -16.942 2.679 19.091 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -16.609 4.398 19.041 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -19.022 4.861 18.563 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -19.362 3.142 18.585 1.00 0.00 H new ATOM 0 HE ARG A 25 -18.015 3.848 21.019 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -21.243 4.180 19.522 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -22.027 4.375 21.093 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -19.102 4.071 22.963 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -20.852 4.313 22.981 1.00 0.00 H new ATOM 388 N VAL A 26 -14.749 5.001 15.936 1.00 0.00 N ATOM 389 CA VAL A 26 -13.337 5.455 15.957 1.00 0.00 C ATOM 390 C VAL A 26 -13.146 6.832 15.288 1.00 0.00 C ATOM 391 O VAL A 26 -12.452 7.688 15.831 1.00 0.00 O ATOM 392 CB VAL A 26 -12.431 4.356 15.349 1.00 0.00 C ATOM 393 CG1 VAL A 26 -10.957 4.764 15.224 1.00 0.00 C ATOM 394 CG2 VAL A 26 -12.476 3.084 16.202 1.00 0.00 C ATOM 0 H VAL A 26 -14.870 4.125 15.428 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.037 5.607 16.994 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.830 4.188 14.349 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.387 3.942 14.790 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.875 5.641 14.582 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.560 4.999 16.211 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.833 2.325 15.757 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.128 3.309 17.210 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.499 2.712 16.246 1.00 0.00 H new ATOM 404 N LEU A 27 -13.836 7.050 14.169 1.00 0.00 N ATOM 405 CA LEU A 27 -13.850 8.324 13.415 1.00 0.00 C ATOM 406 C LEU A 27 -14.392 9.528 14.215 1.00 0.00 C ATOM 407 O LEU A 27 -14.086 10.677 13.899 1.00 0.00 O ATOM 408 CB LEU A 27 -14.691 8.098 12.153 1.00 0.00 C ATOM 409 CG LEU A 27 -14.617 9.192 11.085 1.00 0.00 C ATOM 410 CD1 LEU A 27 -13.226 9.258 10.446 1.00 0.00 C ATOM 411 CD2 LEU A 27 -15.689 8.915 10.030 1.00 0.00 C ATOM 0 H LEU A 27 -14.420 6.331 13.742 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.819 8.588 13.178 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.382 7.156 11.700 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.733 7.981 12.452 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.797 10.161 11.550 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.209 10.045 9.692 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.483 9.474 11.214 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.995 8.302 9.977 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.650 9.686 9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.510 7.940 9.576 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.672 8.921 10.500 1.00 0.00 H new ATOM 423 N GLY A 28 -15.131 9.213 15.286 1.00 0.00 N ATOM 424 CA GLY A 28 -15.870 10.197 16.097 1.00 0.00 C ATOM 425 C GLY A 28 -17.356 9.832 16.079 1.00 0.00 C ATOM 426 O GLY A 28 -18.020 10.055 15.067 1.00 0.00 O ATOM 0 H GLY A 28 -15.236 8.255 15.621 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.495 10.201 17.120 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.723 11.201 15.699 1.00 0.00 H new ATOM 430 N VAL A 29 -17.688 8.952 17.027 1.00 0.00 N ATOM 431 CA VAL A 29 -19.047 8.470 17.373 1.00 0.00 C ATOM 432 C VAL A 29 -20.214 9.288 16.780 1.00 0.00 C ATOM 433 O VAL A 29 -20.609 10.339 17.284 1.00 0.00 O ATOM 434 CB VAL A 29 -19.132 8.207 18.895 1.00 0.00 C ATOM 435 CG1 VAL A 29 -18.920 9.454 19.765 1.00 0.00 C ATOM 436 CG2 VAL A 29 -20.422 7.474 19.277 1.00 0.00 C ATOM 0 H VAL A 29 -16.975 8.523 17.617 1.00 0.00 H new ATOM 0 HA VAL A 29 -19.194 7.518 16.864 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.288 7.552 19.113 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.996 9.181 20.817 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.932 9.871 19.569 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -19.681 10.197 19.527 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.441 7.309 20.354 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -21.283 8.077 18.986 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -20.461 6.514 18.762 1.00 0.00 H new ATOM 446 N SER A 30 -20.608 8.838 15.593 1.00 0.00 N ATOM 447 CA SER A 30 -21.628 9.512 14.760 1.00 0.00 C ATOM 448 C SER A 30 -22.574 8.558 14.015 1.00 0.00 C ATOM 449 O SER A 30 -23.775 8.564 14.271 1.00 0.00 O ATOM 450 CB SER A 30 -20.968 10.508 13.792 1.00 0.00 C ATOM 451 OG SER A 30 -19.881 9.884 13.095 1.00 0.00 O ATOM 0 H SER A 30 -20.232 7.990 15.169 1.00 0.00 H new ATOM 0 HA SER A 30 -22.265 10.055 15.458 1.00 0.00 H new ATOM 0 HB2 SER A 30 -21.705 10.872 13.077 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.604 11.375 14.344 1.00 0.00 H new ATOM 0 HG SER A 30 -19.079 9.901 13.658 1.00 0.00 H new ATOM 457 N GLY A 31 -22.024 7.846 13.021 1.00 0.00 N ATOM 458 CA GLY A 31 -22.781 6.835 12.249 1.00 0.00 C ATOM 459 C GLY A 31 -22.696 7.065 10.736 1.00 0.00 C ATOM 460 O GLY A 31 -23.528 7.755 10.150 1.00 0.00 O ATOM 0 H GLY A 31 -21.053 7.949 12.727 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -22.398 5.842 12.484 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -23.826 6.855 12.558 1.00 0.00 H new ATOM 464 N ILE A 32 -21.746 6.379 10.109 1.00 0.00 N ATOM 465 CA ILE A 32 -21.453 6.555 8.667 1.00 0.00 C ATOM 466 C ILE A 32 -22.058 5.421 7.817 1.00 0.00 C ATOM 467 O ILE A 32 -22.631 4.470 8.346 1.00 0.00 O ATOM 468 CB ILE A 32 -19.941 6.706 8.384 1.00 0.00 C ATOM 469 CG1 ILE A 32 -19.121 5.505 8.887 1.00 0.00 C ATOM 470 CG2 ILE A 32 -19.434 8.052 8.919 1.00 0.00 C ATOM 471 CD1 ILE A 32 -17.741 5.398 8.231 1.00 0.00 C ATOM 0 H ILE A 32 -21.155 5.688 10.570 1.00 0.00 H new ATOM 0 HA ILE A 32 -21.932 7.489 8.373 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.796 6.707 7.304 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -18.997 5.585 9.967 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.678 4.588 8.697 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.368 8.147 8.714 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -19.971 8.864 8.429 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.602 8.103 9.995 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -17.215 4.531 8.630 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.858 5.287 7.153 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -17.167 6.300 8.443 1.00 0.00 H new ATOM 483 N GLY A 33 -21.794 5.490 6.507 1.00 0.00 N ATOM 484 CA GLY A 33 -22.307 4.505 5.534 1.00 0.00 C ATOM 485 C GLY A 33 -21.197 3.551 5.076 1.00 0.00 C ATOM 486 O GLY A 33 -20.017 3.782 5.317 1.00 0.00 O ATOM 0 H GLY A 33 -21.223 6.224 6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.119 3.934 5.984 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.723 5.025 4.671 1.00 0.00 H new ATOM 490 N ILE A 34 -21.611 2.530 4.336 1.00 0.00 N ATOM 491 CA ILE A 34 -20.712 1.519 3.726 1.00 0.00 C ATOM 492 C ILE A 34 -19.660 2.167 2.805 1.00 0.00 C ATOM 493 O ILE A 34 -18.464 1.995 3.021 1.00 0.00 O ATOM 494 CB ILE A 34 -21.590 0.467 3.013 1.00 0.00 C ATOM 495 CG1 ILE A 34 -22.596 -0.177 3.983 1.00 0.00 C ATOM 496 CG2 ILE A 34 -20.804 -0.590 2.223 1.00 0.00 C ATOM 497 CD1 ILE A 34 -22.039 -0.788 5.279 1.00 0.00 C ATOM 0 H ILE A 34 -22.596 2.365 4.131 1.00 0.00 H new ATOM 0 HA ILE A 34 -20.127 1.018 4.497 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.147 1.023 2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -23.331 0.580 4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -23.129 -0.960 3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -21.500 -1.287 1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -20.209 -0.100 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -20.145 -1.134 2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.857 -1.205 5.866 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -21.329 -1.578 5.033 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.535 -0.015 5.858 1.00 0.00 H new ATOM 509 N LEU A 35 -20.151 3.045 1.928 1.00 0.00 N ATOM 510 CA LEU A 35 -19.355 3.959 1.076 1.00 0.00 C ATOM 511 C LEU A 35 -18.482 4.964 1.860 1.00 0.00 C ATOM 512 O LEU A 35 -17.723 5.743 1.285 1.00 0.00 O ATOM 513 CB LEU A 35 -20.293 4.748 0.149 1.00 0.00 C ATOM 514 CG LEU A 35 -20.946 3.946 -0.987 1.00 0.00 C ATOM 515 CD1 LEU A 35 -22.130 3.092 -0.517 1.00 0.00 C ATOM 516 CD2 LEU A 35 -21.396 4.907 -2.087 1.00 0.00 C ATOM 0 H LEU A 35 -21.154 3.150 1.779 1.00 0.00 H new ATOM 0 HA LEU A 35 -18.674 3.319 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -21.083 5.191 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.730 5.571 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 35 -20.197 3.252 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -22.547 2.550 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -21.790 2.381 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -22.896 3.737 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -21.860 4.343 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -22.117 5.616 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -20.532 5.449 -2.472 1.00 0.00 H new ATOM 528 N ASP A 36 -18.660 4.970 3.183 1.00 0.00 N ATOM 529 CA ASP A 36 -18.014 5.872 4.156 1.00 0.00 C ATOM 530 C ASP A 36 -18.254 7.342 3.755 1.00 0.00 C ATOM 531 O ASP A 36 -19.315 7.676 3.229 1.00 0.00 O ATOM 532 CB ASP A 36 -16.530 5.467 4.293 1.00 0.00 C ATOM 533 CG ASP A 36 -16.316 4.006 4.730 1.00 0.00 C ATOM 534 OD1 ASP A 36 -17.148 3.502 5.515 1.00 0.00 O ATOM 535 OD2 ASP A 36 -15.314 3.414 4.277 1.00 0.00 O ATOM 0 H ASP A 36 -19.293 4.311 3.636 1.00 0.00 H new ATOM 0 HA ASP A 36 -18.453 5.777 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -16.031 5.626 3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -16.050 6.126 5.017 1.00 0.00 H new ATOM 540 N ASN A 37 -17.357 8.229 4.165 1.00 0.00 N ATOM 541 CA ASN A 37 -17.297 9.594 3.610 1.00 0.00 C ATOM 542 C ASN A 37 -16.162 9.728 2.570 1.00 0.00 C ATOM 543 O ASN A 37 -15.884 10.829 2.104 1.00 0.00 O ATOM 544 CB ASN A 37 -17.129 10.524 4.820 1.00 0.00 C ATOM 545 CG ASN A 37 -16.978 12.012 4.497 1.00 0.00 C ATOM 546 OD1 ASN A 37 -15.880 12.551 4.531 1.00 0.00 O ATOM 547 ND2 ASN A 37 -18.079 12.729 4.459 1.00 0.00 N ATOM 0 H ASN A 37 -16.656 8.037 4.880 1.00 0.00 H new ATOM 0 HA ASN A 37 -18.200 9.856 3.058 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -17.992 10.399 5.474 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.253 10.203 5.383 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.025 13.748 4.458 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -18.988 12.267 4.431 1.00 0.00 H new ATOM 554 N PHE A 38 -15.623 8.585 2.128 1.00 0.00 N ATOM 555 CA PHE A 38 -14.441 8.413 1.245 1.00 0.00 C ATOM 556 C PHE A 38 -13.209 9.341 1.373 1.00 0.00 C ATOM 557 O PHE A 38 -12.265 9.262 0.589 1.00 0.00 O ATOM 558 CB PHE A 38 -14.892 8.241 -0.215 1.00 0.00 C ATOM 559 CG PHE A 38 -15.719 9.405 -0.761 1.00 0.00 C ATOM 560 CD1 PHE A 38 -15.079 10.500 -1.324 1.00 0.00 C ATOM 561 CD2 PHE A 38 -17.107 9.358 -0.696 1.00 0.00 C ATOM 562 CE1 PHE A 38 -15.829 11.556 -1.825 1.00 0.00 C ATOM 563 CE2 PHE A 38 -17.857 10.416 -1.195 1.00 0.00 C ATOM 564 CZ PHE A 38 -17.218 11.514 -1.759 1.00 0.00 C ATOM 0 H PHE A 38 -16.024 7.685 2.392 1.00 0.00 H new ATOM 0 HA PHE A 38 -14.000 7.504 1.655 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.010 8.112 -0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -15.478 7.325 -0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -14.001 10.531 -1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -17.600 8.502 -0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -15.334 12.409 -2.265 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -18.935 10.385 -1.145 1.00 0.00 H new ATOM 0 HZ PHE A 38 -17.801 12.336 -2.147 1.00 0.00 H new ATOM 574 N PHE A 39 -13.240 10.208 2.382 1.00 0.00 N ATOM 575 CA PHE A 39 -12.140 11.122 2.739 1.00 0.00 C ATOM 576 C PHE A 39 -11.573 10.814 4.141 1.00 0.00 C ATOM 577 O PHE A 39 -10.657 10.003 4.294 1.00 0.00 O ATOM 578 CB PHE A 39 -12.721 12.541 2.606 1.00 0.00 C ATOM 579 CG PHE A 39 -11.720 13.675 2.841 1.00 0.00 C ATOM 580 CD1 PHE A 39 -11.010 14.188 1.764 1.00 0.00 C ATOM 581 CD2 PHE A 39 -11.652 14.306 4.080 1.00 0.00 C ATOM 582 CE1 PHE A 39 -10.244 15.337 1.918 1.00 0.00 C ATOM 583 CE2 PHE A 39 -10.876 15.448 4.237 1.00 0.00 C ATOM 584 CZ PHE A 39 -10.177 15.967 3.155 1.00 0.00 C ATOM 0 H PHE A 39 -14.050 10.303 2.995 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.280 11.006 2.080 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.145 12.652 1.608 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.542 12.649 3.315 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.053 13.693 0.805 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.203 13.908 4.920 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -9.701 15.741 1.076 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.816 15.932 5.201 1.00 0.00 H new ATOM 0 HZ PHE A 39 -9.581 16.860 3.275 1.00 0.00 H new ATOM 594 N GLN A 40 -12.289 11.282 5.165 1.00 0.00 N ATOM 595 CA GLN A 40 -11.868 11.264 6.583 1.00 0.00 C ATOM 596 C GLN A 40 -11.429 9.924 7.205 1.00 0.00 C ATOM 597 O GLN A 40 -10.472 9.912 7.975 1.00 0.00 O ATOM 598 CB GLN A 40 -12.933 11.956 7.447 1.00 0.00 C ATOM 599 CG GLN A 40 -14.321 11.318 7.316 1.00 0.00 C ATOM 600 CD GLN A 40 -15.382 12.041 8.146 1.00 0.00 C ATOM 601 OE1 GLN A 40 -16.361 12.602 7.480 1.00 0.00 O flip ATOM 602 NE2 GLN A 40 -15.325 12.138 9.363 1.00 0.00 N flip ATOM 0 H GLN A 40 -13.210 11.700 5.034 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.928 11.816 6.573 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.622 11.924 8.491 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.995 13.007 7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.621 11.321 6.268 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.268 10.275 7.629 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.560 11.698 9.874 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.043 12.658 9.867 1.00 0.00 H new ATOM 611 N ILE A 41 -12.007 8.810 6.748 1.00 0.00 N ATOM 612 CA ILE A 41 -11.683 7.453 7.256 1.00 0.00 C ATOM 613 C ILE A 41 -10.203 7.056 7.083 1.00 0.00 C ATOM 614 O ILE A 41 -9.669 6.293 7.888 1.00 0.00 O ATOM 615 CB ILE A 41 -12.611 6.332 6.724 1.00 0.00 C ATOM 616 CG1 ILE A 41 -12.489 5.977 5.228 1.00 0.00 C ATOM 617 CG2 ILE A 41 -14.055 6.547 7.192 1.00 0.00 C ATOM 618 CD1 ILE A 41 -12.807 7.074 4.205 1.00 0.00 C ATOM 0 H ILE A 41 -12.715 8.812 6.014 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.874 7.543 8.325 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.231 5.421 7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.470 5.635 5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -13.149 5.132 5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.686 5.747 6.805 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.089 6.541 8.281 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.418 7.506 6.823 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.678 6.680 3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -13.837 7.406 4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.132 7.917 4.354 1.00 0.00 H new ATOM 630 N GLY A 42 -9.588 7.556 5.997 1.00 0.00 N ATOM 631 CA GLY A 42 -8.140 7.421 5.745 1.00 0.00 C ATOM 632 C GLY A 42 -7.287 8.204 6.757 1.00 0.00 C ATOM 633 O GLY A 42 -6.326 7.676 7.316 1.00 0.00 O ATOM 0 H GLY A 42 -10.082 8.067 5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.865 6.367 5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.916 7.773 4.738 1.00 0.00 H new ATOM 637 N GLY A 43 -7.621 9.498 6.871 1.00 0.00 N ATOM 638 CA GLY A 43 -7.015 10.437 7.838 1.00 0.00 C ATOM 639 C GLY A 43 -5.486 10.580 7.762 1.00 0.00 C ATOM 640 O GLY A 43 -4.736 9.787 8.333 1.00 0.00 O ATOM 0 H GLY A 43 -8.333 9.933 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.461 11.420 7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.282 10.115 8.845 1.00 0.00 H new ATOM 644 N HIS A 44 -5.091 11.725 7.212 1.00 0.00 N ATOM 645 CA HIS A 44 -3.682 12.146 7.017 1.00 0.00 C ATOM 646 C HIS A 44 -2.974 12.608 8.315 1.00 0.00 C ATOM 647 O HIS A 44 -2.399 13.692 8.411 1.00 0.00 O ATOM 648 CB HIS A 44 -3.625 13.196 5.892 1.00 0.00 C ATOM 649 CG HIS A 44 -4.419 14.476 6.188 1.00 0.00 C ATOM 650 ND1 HIS A 44 -3.943 15.560 6.797 1.00 0.00 N ATOM 651 CD2 HIS A 44 -5.719 14.663 5.980 1.00 0.00 C ATOM 652 CE1 HIS A 44 -4.952 16.406 6.981 1.00 0.00 C ATOM 653 NE2 HIS A 44 -6.052 15.847 6.482 1.00 0.00 N ATOM 0 H HIS A 44 -5.757 12.419 6.873 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.108 11.269 6.716 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.584 13.461 5.710 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.006 12.750 4.973 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -6.388 13.972 5.488 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.890 17.376 7.452 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.986 16.256 6.485 1.00 0.00 H new ATOM 662 N SER A 45 -3.028 11.722 9.304 1.00 0.00 N ATOM 663 CA SER A 45 -2.505 11.899 10.679 1.00 0.00 C ATOM 664 C SER A 45 -2.402 10.514 11.361 1.00 0.00 C ATOM 665 O SER A 45 -2.214 9.508 10.674 1.00 0.00 O ATOM 666 CB SER A 45 -3.417 12.876 11.447 1.00 0.00 C ATOM 667 OG SER A 45 -4.711 12.306 11.685 1.00 0.00 O ATOM 0 H SER A 45 -3.459 10.807 9.174 1.00 0.00 H new ATOM 0 HA SER A 45 -1.505 12.333 10.666 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.953 13.138 12.398 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.524 13.800 10.879 1.00 0.00 H new ATOM 0 HG SER A 45 -5.266 12.948 12.175 1.00 0.00 H new ATOM 673 N LEU A 46 -2.615 10.444 12.678 1.00 0.00 N ATOM 674 CA LEU A 46 -2.623 9.186 13.461 1.00 0.00 C ATOM 675 C LEU A 46 -3.593 8.110 12.930 1.00 0.00 C ATOM 676 O LEU A 46 -3.351 6.918 13.114 1.00 0.00 O ATOM 677 CB LEU A 46 -2.898 9.442 14.952 1.00 0.00 C ATOM 678 CG LEU A 46 -4.298 9.977 15.291 1.00 0.00 C ATOM 679 CD1 LEU A 46 -4.680 9.529 16.702 1.00 0.00 C ATOM 680 CD2 LEU A 46 -4.346 11.506 15.228 1.00 0.00 C ATOM 0 H LEU A 46 -2.791 11.271 13.249 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.616 8.787 13.339 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.744 8.510 15.496 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.159 10.152 15.322 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.998 9.580 14.556 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.673 9.906 16.947 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.684 8.440 16.750 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.956 9.921 17.417 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.351 11.849 15.473 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.636 11.922 15.943 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.085 11.837 14.223 1.00 0.00 H new ATOM 692 N LYS A 47 -4.640 8.548 12.225 1.00 0.00 N ATOM 693 CA LYS A 47 -5.636 7.669 11.579 1.00 0.00 C ATOM 694 C LYS A 47 -5.015 6.562 10.716 1.00 0.00 C ATOM 695 O LYS A 47 -5.151 5.395 11.074 1.00 0.00 O ATOM 696 CB LYS A 47 -6.607 8.501 10.739 1.00 0.00 C ATOM 697 CG LYS A 47 -7.687 9.179 11.581 1.00 0.00 C ATOM 698 CD LYS A 47 -8.710 8.140 12.040 1.00 0.00 C ATOM 699 CE LYS A 47 -9.745 8.764 12.971 1.00 0.00 C ATOM 700 NZ LYS A 47 -10.715 7.738 13.366 1.00 0.00 N ATOM 0 H LYS A 47 -4.828 9.540 12.081 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.169 7.168 12.387 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.048 9.261 10.192 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.081 7.858 9.997 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.236 9.666 12.446 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.181 9.957 10.999 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.210 7.709 11.172 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.200 7.324 12.552 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.256 9.179 13.853 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.253 9.589 12.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.156 8.006 14.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.449 7.654 12.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.229 6.825 13.476 1.00 0.00 H new ATOM 714 N ALA A 48 -4.172 6.943 9.753 1.00 0.00 N ATOM 715 CA ALA A 48 -3.402 5.985 8.929 1.00 0.00 C ATOM 716 C ALA A 48 -2.666 4.903 9.747 1.00 0.00 C ATOM 717 O ALA A 48 -2.862 3.718 9.489 1.00 0.00 O ATOM 718 CB ALA A 48 -2.415 6.753 8.046 1.00 0.00 C ATOM 0 H ALA A 48 -3.999 7.920 9.517 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.125 5.447 8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.847 6.049 7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.963 7.434 7.395 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.732 7.323 8.675 1.00 0.00 H new ATOM 724 N MET A 49 -2.044 5.317 10.854 1.00 0.00 N ATOM 725 CA MET A 49 -1.357 4.422 11.814 1.00 0.00 C ATOM 726 C MET A 49 -2.324 3.481 12.557 1.00 0.00 C ATOM 727 O MET A 49 -2.188 2.258 12.498 1.00 0.00 O ATOM 728 CB MET A 49 -0.563 5.243 12.840 1.00 0.00 C ATOM 729 CG MET A 49 0.582 6.058 12.231 1.00 0.00 C ATOM 730 SD MET A 49 1.906 5.027 11.504 1.00 0.00 S ATOM 731 CE MET A 49 3.074 6.300 11.076 1.00 0.00 C ATOM 0 H MET A 49 -1.998 6.300 11.121 1.00 0.00 H new ATOM 0 HA MET A 49 -0.682 3.802 11.224 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.245 5.921 13.354 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.155 4.569 13.593 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.180 6.715 11.460 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.012 6.697 13.002 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.953 5.848 10.616 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.614 6.995 10.373 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.372 6.838 11.976 1.00 0.00 H new ATOM 741 N ALA A 50 -3.355 4.067 13.168 1.00 0.00 N ATOM 742 CA ALA A 50 -4.411 3.336 13.899 1.00 0.00 C ATOM 743 C ALA A 50 -5.178 2.343 13.008 1.00 0.00 C ATOM 744 O ALA A 50 -5.418 1.198 13.398 1.00 0.00 O ATOM 745 CB ALA A 50 -5.381 4.344 14.524 1.00 0.00 C ATOM 0 H ALA A 50 -3.489 5.078 13.173 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.925 2.745 14.675 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.162 3.810 15.065 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.839 4.991 15.214 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.833 4.950 13.738 1.00 0.00 H new ATOM 751 N VAL A 51 -5.509 2.781 11.795 1.00 0.00 N ATOM 752 CA VAL A 51 -6.149 1.936 10.766 1.00 0.00 C ATOM 753 C VAL A 51 -5.180 0.828 10.310 1.00 0.00 C ATOM 754 O VAL A 51 -5.568 -0.336 10.335 1.00 0.00 O ATOM 755 CB VAL A 51 -6.699 2.769 9.588 1.00 0.00 C ATOM 756 CG1 VAL A 51 -7.434 1.887 8.574 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.691 3.841 10.055 1.00 0.00 C ATOM 0 H VAL A 51 -5.343 3.739 11.487 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.018 1.453 11.212 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.829 3.239 9.130 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.808 2.505 7.758 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.747 1.139 8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.270 1.388 9.064 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.052 4.403 9.193 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.533 3.364 10.556 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.194 4.520 10.748 1.00 0.00 H new ATOM 767 N ALA A 52 -3.903 1.158 10.097 1.00 0.00 N ATOM 768 CA ALA A 52 -2.849 0.166 9.779 1.00 0.00 C ATOM 769 C ALA A 52 -2.747 -0.960 10.821 1.00 0.00 C ATOM 770 O ALA A 52 -2.745 -2.130 10.445 1.00 0.00 O ATOM 771 CB ALA A 52 -1.483 0.843 9.649 1.00 0.00 C ATOM 0 H ALA A 52 -3.562 2.118 10.138 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.141 -0.281 8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.726 0.094 9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.519 1.584 8.850 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.229 1.334 10.588 1.00 0.00 H new ATOM 777 N ALA A 53 -2.832 -0.603 12.105 1.00 0.00 N ATOM 778 CA ALA A 53 -2.892 -1.579 13.214 1.00 0.00 C ATOM 779 C ALA A 53 -4.065 -2.570 13.075 1.00 0.00 C ATOM 780 O ALA A 53 -3.858 -3.782 13.109 1.00 0.00 O ATOM 781 CB ALA A 53 -2.969 -0.834 14.550 1.00 0.00 C ATOM 0 H ALA A 53 -2.862 0.369 12.413 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.980 -2.175 13.176 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.013 -1.555 15.366 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.086 -0.206 14.668 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.863 -0.210 14.568 1.00 0.00 H new ATOM 787 N GLN A 54 -5.252 -2.041 12.772 1.00 0.00 N ATOM 788 CA GLN A 54 -6.473 -2.826 12.476 1.00 0.00 C ATOM 789 C GLN A 54 -6.332 -3.682 11.201 1.00 0.00 C ATOM 790 O GLN A 54 -6.569 -4.890 11.219 1.00 0.00 O ATOM 791 CB GLN A 54 -7.665 -1.875 12.320 1.00 0.00 C ATOM 792 CG GLN A 54 -8.044 -1.189 13.635 1.00 0.00 C ATOM 793 CD GLN A 54 -8.939 0.025 13.383 1.00 0.00 C ATOM 794 OE1 GLN A 54 -10.125 -0.064 13.109 1.00 0.00 O ATOM 795 NE2 GLN A 54 -8.345 1.197 13.385 1.00 0.00 N ATOM 0 H GLN A 54 -5.405 -1.034 12.722 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.631 -3.508 13.311 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.426 -1.117 11.574 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.523 -2.432 11.944 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.560 -1.897 14.283 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.141 -0.877 14.160 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.354 1.266 13.615 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.875 2.038 13.157 1.00 0.00 H new ATOM 804 N VAL A 55 -5.827 -3.056 10.140 1.00 0.00 N ATOM 805 CA VAL A 55 -5.538 -3.690 8.833 1.00 0.00 C ATOM 806 C VAL A 55 -4.483 -4.818 8.947 1.00 0.00 C ATOM 807 O VAL A 55 -4.428 -5.722 8.114 1.00 0.00 O ATOM 808 CB VAL A 55 -5.211 -2.606 7.779 1.00 0.00 C ATOM 809 CG1 VAL A 55 -4.906 -3.179 6.393 1.00 0.00 C ATOM 810 CG2 VAL A 55 -6.402 -1.660 7.591 1.00 0.00 C ATOM 0 H VAL A 55 -5.597 -2.062 10.155 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.433 -4.204 8.481 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.330 -2.095 8.166 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.685 -2.365 5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.045 -3.845 6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.770 -3.737 6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.153 -0.905 6.846 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.269 -2.229 7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.633 -1.173 8.538 1.00 0.00 H new ATOM 820 N HIS A 56 -3.599 -4.697 9.932 1.00 0.00 N ATOM 821 CA HIS A 56 -2.713 -5.788 10.371 1.00 0.00 C ATOM 822 C HIS A 56 -3.523 -6.903 11.068 1.00 0.00 C ATOM 823 O HIS A 56 -4.060 -7.761 10.375 1.00 0.00 O ATOM 824 CB HIS A 56 -1.596 -5.177 11.232 1.00 0.00 C ATOM 825 CG HIS A 56 -0.334 -6.034 11.396 1.00 0.00 C ATOM 826 ND1 HIS A 56 0.620 -5.806 12.296 1.00 0.00 N ATOM 827 CD2 HIS A 56 0.116 -6.978 10.570 1.00 0.00 C ATOM 828 CE1 HIS A 56 1.658 -6.587 12.015 1.00 0.00 C ATOM 829 NE2 HIS A 56 1.345 -7.310 10.946 1.00 0.00 N ATOM 0 H HIS A 56 -3.470 -3.833 10.458 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.238 -6.283 9.524 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.308 -4.221 10.795 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.000 -4.966 12.222 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.426 -7.401 9.737 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.590 -6.627 12.559 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.944 -8.000 10.493 1.00 0.00 H new ATOM 838 N ARG A 57 -3.905 -6.686 12.327 1.00 0.00 N ATOM 839 CA ARG A 57 -4.548 -7.713 13.185 1.00 0.00 C ATOM 840 C ARG A 57 -5.884 -8.330 12.718 1.00 0.00 C ATOM 841 O ARG A 57 -6.109 -9.523 12.901 1.00 0.00 O ATOM 842 CB ARG A 57 -4.682 -7.191 14.624 1.00 0.00 C ATOM 843 CG ARG A 57 -5.486 -5.892 14.728 1.00 0.00 C ATOM 844 CD ARG A 57 -5.357 -5.266 16.114 1.00 0.00 C ATOM 845 NE ARG A 57 -5.444 -3.805 15.956 1.00 0.00 N ATOM 846 CZ ARG A 57 -5.999 -2.934 16.798 1.00 0.00 C ATOM 847 NH1 ARG A 57 -6.675 -3.316 17.874 1.00 0.00 N ATOM 848 NH2 ARG A 57 -5.934 -1.637 16.539 1.00 0.00 N ATOM 0 H ARG A 57 -3.781 -5.788 12.795 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.857 -8.553 13.110 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.160 -7.955 15.237 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.687 -7.028 15.037 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.138 -5.186 13.974 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.536 -6.094 14.515 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.148 -5.627 16.772 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.408 -5.545 16.573 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.034 -3.416 15.107 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.785 -4.309 18.081 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.085 -2.617 18.494 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.460 -1.308 15.698 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.358 -0.967 17.181 1.00 0.00 H new ATOM 862 N GLU A 58 -6.747 -7.512 12.119 1.00 0.00 N ATOM 863 CA GLU A 58 -8.112 -7.913 11.716 1.00 0.00 C ATOM 864 C GLU A 58 -8.269 -8.124 10.196 1.00 0.00 C ATOM 865 O GLU A 58 -9.182 -8.823 9.761 1.00 0.00 O ATOM 866 CB GLU A 58 -9.081 -6.839 12.226 1.00 0.00 C ATOM 867 CG GLU A 58 -10.557 -7.253 12.144 1.00 0.00 C ATOM 868 CD GLU A 58 -11.516 -6.114 12.505 1.00 0.00 C ATOM 869 OE1 GLU A 58 -11.245 -4.967 12.081 1.00 0.00 O ATOM 870 OE2 GLU A 58 -12.562 -6.428 13.113 1.00 0.00 O ATOM 0 H GLU A 58 -6.526 -6.542 11.894 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.333 -8.884 12.159 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.836 -6.603 13.261 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.936 -5.927 11.648 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.776 -7.600 11.134 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.731 -8.094 12.815 1.00 0.00 H new ATOM 877 N TYR A 59 -7.493 -7.381 9.408 1.00 0.00 N ATOM 878 CA TYR A 59 -7.516 -7.493 7.934 1.00 0.00 C ATOM 879 C TYR A 59 -6.467 -8.449 7.337 1.00 0.00 C ATOM 880 O TYR A 59 -6.603 -8.861 6.188 1.00 0.00 O ATOM 881 CB TYR A 59 -7.359 -6.111 7.286 1.00 0.00 C ATOM 882 CG TYR A 59 -8.573 -5.171 7.296 1.00 0.00 C ATOM 883 CD1 TYR A 59 -9.487 -5.127 8.342 1.00 0.00 C ATOM 884 CD2 TYR A 59 -8.735 -4.306 6.219 1.00 0.00 C ATOM 885 CE1 TYR A 59 -10.547 -4.236 8.308 1.00 0.00 C ATOM 886 CE2 TYR A 59 -9.802 -3.417 6.177 1.00 0.00 C ATOM 887 CZ TYR A 59 -10.713 -3.384 7.222 1.00 0.00 C ATOM 888 OH TYR A 59 -11.791 -2.559 7.168 1.00 0.00 O ATOM 0 H TYR A 59 -6.833 -6.688 9.761 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.490 -7.926 7.706 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.536 -5.599 7.785 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.060 -6.260 6.248 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.370 -5.791 9.186 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.024 -4.326 5.407 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.248 -4.203 9.129 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.922 -2.754 5.333 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.400 -2.862 6.463 1.00 0.00 H new ATOM 898 N GLN A 60 -5.349 -8.618 8.047 1.00 0.00 N ATOM 899 CA GLN A 60 -4.168 -9.445 7.701 1.00 0.00 C ATOM 900 C GLN A 60 -3.401 -9.057 6.415 1.00 0.00 C ATOM 901 O GLN A 60 -2.381 -9.659 6.083 1.00 0.00 O ATOM 902 CB GLN A 60 -4.551 -10.931 7.707 1.00 0.00 C ATOM 903 CG GLN A 60 -3.373 -11.799 8.160 1.00 0.00 C ATOM 904 CD GLN A 60 -3.632 -13.280 7.889 1.00 0.00 C ATOM 905 OE1 GLN A 60 -4.110 -14.040 8.718 1.00 0.00 O ATOM 906 NE2 GLN A 60 -3.285 -13.713 6.697 1.00 0.00 N ATOM 0 H GLN A 60 -5.227 -8.151 8.945 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.441 -9.234 8.486 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.400 -11.089 8.372 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.867 -11.233 6.708 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.468 -11.486 7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.197 -11.648 9.225 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.887 -13.067 6.015 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.414 -14.695 6.454 1.00 0.00 H new ATOM 915 N VAL A 61 -3.844 -7.990 5.751 1.00 0.00 N ATOM 916 CA VAL A 61 -3.187 -7.479 4.521 1.00 0.00 C ATOM 917 C VAL A 61 -2.288 -6.243 4.797 1.00 0.00 C ATOM 918 O VAL A 61 -1.561 -5.778 3.922 1.00 0.00 O ATOM 919 CB VAL A 61 -4.211 -7.244 3.381 1.00 0.00 C ATOM 920 CG1 VAL A 61 -3.516 -7.171 2.017 1.00 0.00 C ATOM 921 CG2 VAL A 61 -5.288 -8.332 3.271 1.00 0.00 C ATOM 0 H VAL A 61 -4.661 -7.450 6.037 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.510 -8.258 4.171 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.690 -6.301 3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.260 -7.006 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.801 -6.348 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.992 -8.107 1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.964 -8.093 2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.814 -9.295 3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.852 -8.381 4.203 1.00 0.00 H new ATOM 931 N GLU A 62 -2.413 -5.653 5.990 1.00 0.00 N ATOM 932 CA GLU A 62 -1.520 -4.614 6.568 1.00 0.00 C ATOM 933 C GLU A 62 -1.032 -3.433 5.690 1.00 0.00 C ATOM 934 O GLU A 62 0.072 -2.922 5.878 1.00 0.00 O ATOM 935 CB GLU A 62 -0.363 -5.290 7.331 1.00 0.00 C ATOM 936 CG GLU A 62 0.634 -6.061 6.455 1.00 0.00 C ATOM 937 CD GLU A 62 1.754 -6.697 7.283 1.00 0.00 C ATOM 938 OE1 GLU A 62 2.716 -5.961 7.596 1.00 0.00 O ATOM 939 OE2 GLU A 62 1.660 -7.922 7.506 1.00 0.00 O ATOM 0 H GLU A 62 -3.178 -5.892 6.621 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.192 -4.071 7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.181 -4.526 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.785 -5.977 8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.106 -6.838 5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.067 -5.385 5.718 1.00 0.00 H new ATOM 946 N LEU A 63 -1.929 -2.880 4.874 1.00 0.00 N ATOM 947 CA LEU A 63 -1.588 -1.778 3.944 1.00 0.00 C ATOM 948 C LEU A 63 -2.183 -0.389 4.293 1.00 0.00 C ATOM 949 O LEU A 63 -3.301 -0.062 3.880 1.00 0.00 O ATOM 950 CB LEU A 63 -1.834 -2.191 2.477 1.00 0.00 C ATOM 951 CG LEU A 63 -3.282 -2.381 1.991 1.00 0.00 C ATOM 952 CD1 LEU A 63 -3.287 -2.569 0.474 1.00 0.00 C ATOM 953 CD2 LEU A 63 -3.988 -3.578 2.628 1.00 0.00 C ATOM 0 H LEU A 63 -2.905 -3.172 4.831 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.518 -1.618 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.369 -1.439 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.303 -3.127 2.305 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.827 -1.485 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.312 -2.704 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.855 -1.689 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.698 -3.448 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.004 -3.651 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.442 -4.491 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.022 -3.447 3.710 1.00 0.00 H new ATOM 965 N PRO A 64 -1.429 0.446 5.034 1.00 0.00 N ATOM 966 CA PRO A 64 -1.848 1.816 5.400 1.00 0.00 C ATOM 967 C PRO A 64 -1.944 2.733 4.175 1.00 0.00 C ATOM 968 O PRO A 64 -1.212 2.560 3.201 1.00 0.00 O ATOM 969 CB PRO A 64 -0.786 2.315 6.381 1.00 0.00 C ATOM 970 CG PRO A 64 0.470 1.554 5.962 1.00 0.00 C ATOM 971 CD PRO A 64 -0.066 0.186 5.538 1.00 0.00 C ATOM 0 HA PRO A 64 -2.845 1.818 5.841 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.646 3.393 6.307 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.060 2.100 7.414 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.988 2.054 5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.181 1.469 6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.561 -0.261 4.767 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.082 -0.509 6.378 1.00 0.00 H new ATOM 979 N LEU A 65 -2.858 3.698 4.274 1.00 0.00 N ATOM 980 CA LEU A 65 -3.268 4.658 3.220 1.00 0.00 C ATOM 981 C LEU A 65 -3.870 4.015 1.954 1.00 0.00 C ATOM 982 O LEU A 65 -4.992 4.347 1.587 1.00 0.00 O ATOM 983 CB LEU A 65 -2.138 5.651 2.895 1.00 0.00 C ATOM 984 CG LEU A 65 -2.583 6.816 2.001 1.00 0.00 C ATOM 985 CD1 LEU A 65 -1.898 8.105 2.457 1.00 0.00 C ATOM 986 CD2 LEU A 65 -2.230 6.554 0.534 1.00 0.00 C ATOM 0 H LEU A 65 -3.371 3.849 5.143 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.098 5.218 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.738 6.051 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.326 5.116 2.403 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.665 6.914 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.216 8.931 1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.173 8.317 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.817 7.987 2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.558 7.397 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.151 6.433 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.730 5.646 0.196 1.00 0.00 H new ATOM 998 N LYS A 66 -3.220 2.981 1.431 1.00 0.00 N ATOM 999 CA LYS A 66 -3.613 2.280 0.194 1.00 0.00 C ATOM 1000 C LYS A 66 -5.060 1.753 0.251 1.00 0.00 C ATOM 1001 O LYS A 66 -5.940 2.410 -0.299 1.00 0.00 O ATOM 1002 CB LYS A 66 -2.575 1.194 -0.094 1.00 0.00 C ATOM 1003 CG LYS A 66 -2.494 0.895 -1.592 1.00 0.00 C ATOM 1004 CD LYS A 66 -1.201 0.142 -1.909 1.00 0.00 C ATOM 1005 CE LYS A 66 -0.987 0.042 -3.419 1.00 0.00 C ATOM 1006 NZ LYS A 66 0.339 -0.513 -3.722 1.00 0.00 N ATOM 0 H LYS A 66 -2.382 2.590 1.860 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.620 2.981 -0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.599 1.514 0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.835 0.285 0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.355 0.301 -1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.530 1.825 -2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.355 0.654 -1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.241 -0.857 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.759 -0.588 -3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.085 1.029 -3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.463 -0.572 -4.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.074 0.103 -3.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.420 -1.464 -3.308 1.00 0.00 H new ATOM 1020 N VAL A 67 -5.329 0.796 1.143 1.00 0.00 N ATOM 1021 CA VAL A 67 -6.700 0.269 1.346 1.00 0.00 C ATOM 1022 C VAL A 67 -7.708 1.332 1.853 1.00 0.00 C ATOM 1023 O VAL A 67 -8.878 1.315 1.487 1.00 0.00 O ATOM 1024 CB VAL A 67 -6.643 -1.026 2.185 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -6.598 -0.830 3.703 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -7.735 -2.013 1.771 1.00 0.00 C ATOM 0 H VAL A 67 -4.623 0.365 1.740 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.113 0.001 0.374 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.671 -1.458 1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.560 -1.802 4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.712 -0.254 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.490 -0.294 4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.664 -2.912 2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.713 -1.554 1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.607 -2.277 0.721 1.00 0.00 H new ATOM 1036 N LEU A 68 -7.171 2.354 2.517 1.00 0.00 N ATOM 1037 CA LEU A 68 -7.913 3.475 3.133 1.00 0.00 C ATOM 1038 C LEU A 68 -8.498 4.466 2.106 1.00 0.00 C ATOM 1039 O LEU A 68 -9.611 4.958 2.282 1.00 0.00 O ATOM 1040 CB LEU A 68 -6.984 4.247 4.085 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.586 3.576 5.411 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -5.702 2.337 5.247 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -5.830 4.589 6.269 1.00 0.00 C ATOM 0 H LEU A 68 -6.163 2.436 2.651 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.752 3.029 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.069 4.480 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.464 5.196 4.323 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.515 3.245 5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.467 1.925 6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.230 1.589 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.778 2.614 4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.543 4.124 7.212 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.936 4.919 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.471 5.448 6.468 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.700 4.773 1.083 1.00 0.00 N ATOM 1056 CA PHE A 69 -8.029 5.738 0.014 1.00 0.00 C ATOM 1057 C PHE A 69 -8.433 5.099 -1.326 1.00 0.00 C ATOM 1058 O PHE A 69 -9.315 5.616 -2.007 1.00 0.00 O ATOM 1059 CB PHE A 69 -6.836 6.677 -0.207 1.00 0.00 C ATOM 1060 CG PHE A 69 -6.723 7.769 0.863 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -6.116 7.514 2.089 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -7.187 9.048 0.578 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -5.969 8.532 3.022 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -7.038 10.068 1.510 1.00 0.00 C ATOM 1065 CZ PHE A 69 -6.428 9.811 2.732 1.00 0.00 C ATOM 0 H PHE A 69 -6.780 4.350 0.965 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.908 6.282 0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.917 6.091 -0.218 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.927 7.145 -1.187 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.758 6.521 2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.664 9.249 -0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.498 8.330 3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.397 11.061 1.284 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.311 10.604 3.455 1.00 0.00 H new ATOM 1075 N ALA A 70 -7.756 4.016 -1.714 1.00 0.00 N ATOM 1076 CA ALA A 70 -8.103 3.230 -2.918 1.00 0.00 C ATOM 1077 C ALA A 70 -9.358 2.361 -2.720 1.00 0.00 C ATOM 1078 O ALA A 70 -10.096 2.099 -3.668 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.911 2.374 -3.356 1.00 0.00 C ATOM 0 H ALA A 70 -6.949 3.652 -1.207 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.341 3.942 -3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.181 1.801 -4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.064 3.020 -3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.639 1.691 -2.552 1.00 0.00 H new ATOM 1085 N GLN A 71 -9.558 1.884 -1.488 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.803 1.199 -1.084 1.00 0.00 C ATOM 1087 C GLN A 71 -11.518 1.946 0.076 1.00 0.00 C ATOM 1088 O GLN A 71 -11.849 1.321 1.090 1.00 0.00 O ATOM 1089 CB GLN A 71 -10.497 -0.266 -0.711 1.00 0.00 C ATOM 1090 CG GLN A 71 -9.838 -1.115 -1.806 1.00 0.00 C ATOM 1091 CD GLN A 71 -8.314 -1.202 -1.659 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -7.582 -0.232 -1.528 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -7.800 -2.409 -1.674 1.00 0.00 N ATOM 0 H GLN A 71 -8.868 1.958 -0.740 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.490 1.205 -1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.847 -0.269 0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.430 -0.748 -0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.258 -2.120 -1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.080 -0.692 -2.781 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.408 -3.221 -1.783 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.793 -2.536 -1.577 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.952 3.208 -0.128 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.506 4.081 0.936 1.00 0.00 C ATOM 1104 C PRO A 72 -13.983 3.789 1.286 1.00 0.00 C ATOM 1105 O PRO A 72 -14.761 4.663 1.670 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.310 5.481 0.353 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.619 5.280 -1.129 1.00 0.00 C ATOM 1108 CD PRO A 72 -12.025 3.904 -1.431 1.00 0.00 C ATOM 0 HA PRO A 72 -12.008 3.929 1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.982 6.207 0.811 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.294 5.845 0.508 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.691 5.306 -1.323 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.165 6.057 -1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.649 3.354 -2.135 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.037 3.994 -1.883 1.00 0.00 H new ATOM 1116 N THR A 73 -14.291 2.497 1.274 1.00 0.00 N ATOM 1117 CA THR A 73 -15.635 1.900 1.400 1.00 0.00 C ATOM 1118 C THR A 73 -15.492 0.459 1.900 1.00 0.00 C ATOM 1119 O THR A 73 -14.775 -0.352 1.307 1.00 0.00 O ATOM 1120 CB THR A 73 -16.439 1.946 0.079 1.00 0.00 C ATOM 1121 OG1 THR A 73 -17.636 1.163 0.183 1.00 0.00 O ATOM 1122 CG2 THR A 73 -15.653 1.531 -1.174 1.00 0.00 C ATOM 0 H THR A 73 -13.569 1.784 1.170 1.00 0.00 H new ATOM 0 HA THR A 73 -16.202 2.493 2.118 1.00 0.00 H new ATOM 0 HB THR A 73 -16.684 2.999 -0.059 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.969 1.196 1.104 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.301 1.596 -2.048 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.799 2.196 -1.305 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.300 0.506 -1.059 1.00 0.00 H new ATOM 1130 N ILE A 74 -16.287 0.139 2.916 1.00 0.00 N ATOM 1131 CA ILE A 74 -16.289 -1.205 3.528 1.00 0.00 C ATOM 1132 C ILE A 74 -16.712 -2.321 2.547 1.00 0.00 C ATOM 1133 O ILE A 74 -16.217 -3.436 2.655 1.00 0.00 O ATOM 1134 CB ILE A 74 -16.987 -1.176 4.906 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -16.201 -1.960 5.972 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -18.474 -1.541 4.897 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -15.995 -3.468 5.757 1.00 0.00 C ATOM 0 H ILE A 74 -16.946 0.790 3.342 1.00 0.00 H new ATOM 0 HA ILE A 74 -15.263 -1.498 3.751 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.975 -0.123 5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.218 -1.499 6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.709 -1.826 6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.867 -1.490 5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.017 -0.841 4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.598 -2.552 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.425 -3.880 6.590 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.964 -3.963 5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.449 -3.632 4.828 1.00 0.00 H new ATOM 1149 N LYS A 75 -17.423 -1.946 1.481 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.758 -2.858 0.365 1.00 0.00 C ATOM 1151 C LYS A 75 -16.475 -3.425 -0.280 1.00 0.00 C ATOM 1152 O LYS A 75 -16.252 -4.635 -0.273 1.00 0.00 O ATOM 1153 CB LYS A 75 -18.646 -2.090 -0.624 1.00 0.00 C ATOM 1154 CG LYS A 75 -19.179 -2.919 -1.803 1.00 0.00 C ATOM 1155 CD LYS A 75 -18.304 -2.851 -3.062 1.00 0.00 C ATOM 1156 CE LYS A 75 -18.342 -1.467 -3.721 1.00 0.00 C ATOM 1157 NZ LYS A 75 -17.576 -1.448 -4.976 1.00 0.00 N ATOM 0 H LYS A 75 -17.787 -1.001 1.359 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.313 -3.726 0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.494 -1.675 -0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.078 -1.248 -1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -19.268 -3.960 -1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.183 -2.574 -2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.275 -3.099 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -18.641 -3.601 -3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.376 -1.186 -3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.936 -0.724 -3.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.622 -0.498 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.584 -1.693 -4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.979 -2.140 -5.639 1.00 0.00 H new ATOM 1171 N ALA A 76 -15.577 -2.527 -0.676 1.00 0.00 N ATOM 1172 CA ALA A 76 -14.260 -2.901 -1.228 1.00 0.00 C ATOM 1173 C ALA A 76 -13.313 -3.496 -0.167 1.00 0.00 C ATOM 1174 O ALA A 76 -12.729 -4.553 -0.402 1.00 0.00 O ATOM 1175 CB ALA A 76 -13.640 -1.689 -1.922 1.00 0.00 C ATOM 0 H ALA A 76 -15.732 -1.520 -0.627 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.414 -3.695 -1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.667 -1.962 -2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.293 -1.359 -2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.517 -0.881 -1.201 1.00 0.00 H new ATOM 1181 N LEU A 77 -13.330 -2.925 1.042 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.561 -3.439 2.201 1.00 0.00 C ATOM 1183 C LEU A 77 -12.873 -4.918 2.510 1.00 0.00 C ATOM 1184 O LEU A 77 -11.976 -5.757 2.472 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.815 -2.587 3.455 1.00 0.00 C ATOM 1186 CG LEU A 77 -12.398 -1.114 3.340 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.887 -0.332 4.559 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -10.880 -0.959 3.249 1.00 0.00 C ATOM 0 H LEU A 77 -13.876 -2.090 1.254 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.509 -3.370 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.878 -2.630 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.281 -3.035 4.293 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.849 -0.725 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.586 0.711 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.974 -0.392 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.451 -0.757 5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.626 0.098 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.417 -1.376 4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.512 -1.488 2.370 1.00 0.00 H new ATOM 1200 N ALA A 78 -14.166 -5.245 2.583 1.00 0.00 N ATOM 1201 CA ALA A 78 -14.660 -6.623 2.793 1.00 0.00 C ATOM 1202 C ALA A 78 -14.219 -7.588 1.680 1.00 0.00 C ATOM 1203 O ALA A 78 -13.608 -8.604 1.986 1.00 0.00 O ATOM 1204 CB ALA A 78 -16.184 -6.637 2.923 1.00 0.00 C ATOM 0 H ALA A 78 -14.914 -4.557 2.498 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.213 -6.974 3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.527 -7.660 3.077 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.482 -6.023 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.631 -6.238 2.012 1.00 0.00 H new ATOM 1210 N GLN A 79 -14.342 -7.161 0.425 1.00 0.00 N ATOM 1211 CA GLN A 79 -13.873 -7.938 -0.745 1.00 0.00 C ATOM 1212 C GLN A 79 -12.350 -8.174 -0.819 1.00 0.00 C ATOM 1213 O GLN A 79 -11.885 -9.107 -1.470 1.00 0.00 O ATOM 1214 CB GLN A 79 -14.433 -7.302 -2.019 1.00 0.00 C ATOM 1215 CG GLN A 79 -15.718 -7.997 -2.500 1.00 0.00 C ATOM 1216 CD GLN A 79 -16.819 -8.200 -1.446 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -17.189 -9.306 -1.086 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -17.377 -7.138 -0.911 1.00 0.00 N ATOM 0 H GLN A 79 -14.768 -6.268 0.179 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.264 -8.949 -0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.639 -6.247 -1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -13.681 -7.348 -2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -16.135 -7.415 -3.322 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -15.448 -8.972 -2.905 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -17.080 -6.206 -1.200 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -18.107 -7.246 -0.207 1.00 0.00 H new ATOM 1227 N TYR A 80 -11.590 -7.261 -0.219 1.00 0.00 N ATOM 1228 CA TYR A 80 -10.141 -7.429 0.012 1.00 0.00 C ATOM 1229 C TYR A 80 -9.739 -8.342 1.185 1.00 0.00 C ATOM 1230 O TYR A 80 -8.650 -8.915 1.180 1.00 0.00 O ATOM 1231 CB TYR A 80 -9.478 -6.056 0.150 1.00 0.00 C ATOM 1232 CG TYR A 80 -8.963 -5.563 -1.204 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -9.828 -5.012 -2.143 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -7.622 -5.743 -1.522 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -9.353 -4.632 -3.391 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -7.144 -5.361 -2.767 1.00 0.00 C ATOM 1237 CZ TYR A 80 -8.007 -4.797 -3.698 1.00 0.00 C ATOM 1238 OH TYR A 80 -7.497 -4.274 -4.841 1.00 0.00 O ATOM 0 H TYR A 80 -11.957 -6.374 0.126 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.777 -7.958 -0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -10.194 -5.340 0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.652 -6.116 0.859 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.872 -4.879 -1.901 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.951 -6.181 -0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.027 -4.209 -4.121 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.102 -5.502 -3.012 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.541 -4.482 -4.898 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.599 -8.458 2.197 1.00 0.00 N ATOM 1249 CA VAL A 81 -10.245 -9.208 3.428 1.00 0.00 C ATOM 1250 C VAL A 81 -11.056 -10.469 3.768 1.00 0.00 C ATOM 1251 O VAL A 81 -10.512 -11.423 4.320 1.00 0.00 O ATOM 1252 CB VAL A 81 -10.101 -8.278 4.648 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -9.004 -7.246 4.381 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -11.404 -7.581 5.062 1.00 0.00 C ATOM 0 H VAL A 81 -11.535 -8.053 2.202 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.273 -9.625 3.163 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.828 -8.913 5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.904 -6.589 5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.058 -7.758 4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.267 -6.654 3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -11.217 -6.945 5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.769 -6.971 4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -12.153 -8.331 5.318 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.324 -10.494 3.371 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.251 -11.624 3.572 1.00 0.00 C ATOM 1266 C ALA A 82 -13.682 -12.199 2.206 1.00 0.00 C ATOM 1267 O ALA A 82 -14.859 -12.291 1.847 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.439 -11.123 4.403 1.00 0.00 C ATOM 0 H ALA A 82 -12.757 -9.709 2.885 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.770 -12.438 4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.140 -11.942 4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.081 -10.755 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.941 -10.316 3.870 1.00 0.00 H new ATOM 1274 N THR A 83 -12.658 -12.575 1.441 1.00 0.00 N ATOM 1275 CA THR A 83 -12.777 -13.047 0.041 1.00 0.00 C ATOM 1276 C THR A 83 -11.487 -13.791 -0.348 1.00 0.00 C ATOM 1277 O THR A 83 -11.543 -14.980 -0.651 1.00 0.00 O ATOM 1278 CB THR A 83 -13.066 -11.902 -0.955 1.00 0.00 C ATOM 1279 OG1 THR A 83 -14.169 -11.113 -0.501 1.00 0.00 O ATOM 1280 CG2 THR A 83 -13.382 -12.414 -2.364 1.00 0.00 C ATOM 0 H THR A 83 -11.694 -12.564 1.776 1.00 0.00 H new ATOM 0 HA THR A 83 -13.632 -13.721 -0.014 1.00 0.00 H new ATOM 0 HB THR A 83 -12.158 -11.301 -1.004 1.00 0.00 H new ATOM 0 HG1 THR A 83 -14.815 -11.004 -1.230 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.577 -11.568 -3.023 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.533 -12.982 -2.744 1.00 0.00 H new ATOM 0 HG23 THR A 83 -14.261 -13.057 -2.329 1.00 0.00 H new ATOM 1288 N ARG A 84 -10.367 -13.066 -0.401 1.00 0.00 N ATOM 1289 CA ARG A 84 -9.037 -13.692 -0.583 1.00 0.00 C ATOM 1290 C ARG A 84 -8.209 -13.817 0.713 1.00 0.00 C ATOM 1291 O ARG A 84 -7.379 -14.715 0.833 1.00 0.00 O ATOM 1292 CB ARG A 84 -8.227 -13.019 -1.709 1.00 0.00 C ATOM 1293 CG ARG A 84 -7.689 -11.608 -1.427 1.00 0.00 C ATOM 1294 CD ARG A 84 -8.759 -10.510 -1.435 1.00 0.00 C ATOM 1295 NE ARG A 84 -9.230 -10.163 -2.789 1.00 0.00 N ATOM 1296 CZ ARG A 84 -8.531 -9.540 -3.742 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -7.381 -8.926 -3.493 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -9.072 -9.364 -4.937 1.00 0.00 N ATOM 0 H ARG A 84 -10.345 -12.049 -0.322 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.253 -14.716 -0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.381 -13.663 -1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.856 -12.971 -2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.193 -11.608 -0.456 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.931 -11.366 -2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.609 -10.836 -0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.356 -9.617 -0.958 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.188 -10.426 -3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.001 -8.919 -2.546 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.877 -8.461 -4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.016 -9.703 -5.125 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.545 -8.889 -5.670 1.00 0.00 H new ATOM 1312 N SER A 85 -8.367 -12.850 1.623 1.00 0.00 N ATOM 1313 CA SER A 85 -7.785 -12.872 2.992 1.00 0.00 C ATOM 1314 C SER A 85 -6.240 -12.907 3.040 1.00 0.00 C ATOM 1315 O SER A 85 -5.677 -13.313 4.083 1.00 0.00 O ATOM 1316 CB SER A 85 -8.378 -14.029 3.818 1.00 0.00 C ATOM 1317 OG SER A 85 -9.802 -13.904 3.885 1.00 0.00 O ATOM 1318 OXT SER A 85 -5.644 -12.361 2.084 1.00 99.99 O ATOM 0 H SER A 85 -8.912 -12.008 1.436 1.00 0.00 H new ATOM 0 HA SER A 85 -8.066 -11.917 3.436 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.110 -14.984 3.366 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.957 -14.022 4.823 1.00 0.00 H new ATOM 0 HG SER A 85 -10.037 -13.019 4.235 1.00 0.00 H new