USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=22 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 Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= -3.48! (180deg=-3.83!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.494 USER MOD Single : A 27 TYR OH : rot 74:sc= -1.75! USER MOD Single : A 28 SER OG : rot 44:sc= 0.452 USER MOD Single : A 29 THR OG1 : rot 148:sc= -2.88! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -54:sc= 0.844 USER MOD Single : A 36 THR OG1 : rot -117:sc= -1.28! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc=-0.00797 (180deg=-0.171) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.43) USER MOD Single : A 58 THR OG1 : rot 48:sc= 0.108 USER MOD Single : A 59 THR OG1 : rot -155:sc= 0.101! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 59:sc= -9.11! USER MOD Single : A 68 ASN : amide:sc= -9.18! C(o=-9.2!,f=-4!) USER MOD Single : A 72 LYS NZ :NH3+ -147:sc= 0.775 (180deg=-1.09!) USER MOD Single : A 73 TYR OH : rot 80:sc= -1.8 USER MOD Single : A 75 TYR OH : rot 81:sc= 1.25 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 19:sc= 0.00592 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 8.521 -5.225 16.126 1.00 0.00 N ATOM 2 CA GLU A 7 9.072 -5.358 14.788 1.00 0.00 C ATOM 3 C GLU A 7 8.787 -6.755 14.233 1.00 0.00 C ATOM 4 O GLU A 7 9.335 -7.141 13.202 1.00 0.00 O ATOM 5 CB GLU A 7 10.572 -5.061 14.781 1.00 0.00 C ATOM 6 CG GLU A 7 11.297 -5.873 15.857 1.00 0.00 C ATOM 7 CD GLU A 7 11.619 -5.005 17.075 1.00 0.00 C ATOM 8 OE1 GLU A 7 12.400 -4.046 16.898 1.00 0.00 O ATOM 9 OE2 GLU A 7 11.076 -5.321 18.156 1.00 0.00 O ATOM 0 HA GLU A 7 8.587 -4.626 14.142 1.00 0.00 H new ATOM 0 HB2 GLU A 7 10.988 -5.296 13.801 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.736 -3.997 14.951 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.677 -6.716 16.161 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.218 -6.286 15.447 1.00 0.00 H new ATOM 16 N LYS A 8 7.930 -7.475 14.942 1.00 0.00 N ATOM 17 CA LYS A 8 7.565 -8.821 14.534 1.00 0.00 C ATOM 18 C LYS A 8 6.452 -8.747 13.487 1.00 0.00 C ATOM 19 O LYS A 8 6.165 -9.734 12.810 1.00 0.00 O ATOM 20 CB LYS A 8 7.208 -9.673 15.753 1.00 0.00 C ATOM 21 CG LYS A 8 8.464 -10.260 16.399 1.00 0.00 C ATOM 22 CD LYS A 8 8.835 -9.496 17.671 1.00 0.00 C ATOM 23 CE LYS A 8 10.318 -9.673 18.004 1.00 0.00 C ATOM 24 NZ LYS A 8 10.522 -9.686 19.470 1.00 0.00 N ATOM 0 H LYS A 8 7.478 -7.151 15.797 1.00 0.00 H new ATOM 0 HA LYS A 8 8.413 -9.320 14.064 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.671 -9.065 16.481 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.538 -10.479 15.454 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.298 -11.311 16.637 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.293 -10.221 15.692 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.612 -8.437 17.542 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.227 -9.851 18.503 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.685 -10.604 17.571 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.896 -8.864 17.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.534 -9.807 19.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.190 -8.787 19.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.986 -10.473 19.888 1.00 0.00 H new ATOM 38 N GLU A 9 5.854 -7.569 13.387 1.00 0.00 N ATOM 39 CA GLU A 9 4.778 -7.354 12.434 1.00 0.00 C ATOM 40 C GLU A 9 5.284 -7.568 11.006 1.00 0.00 C ATOM 41 O GLU A 9 4.544 -8.043 10.146 1.00 0.00 O ATOM 42 CB GLU A 9 4.171 -5.960 12.598 1.00 0.00 C ATOM 43 CG GLU A 9 2.965 -5.994 13.539 1.00 0.00 C ATOM 44 CD GLU A 9 1.667 -6.213 12.759 1.00 0.00 C ATOM 45 OE1 GLU A 9 1.657 -7.144 11.925 1.00 0.00 O ATOM 46 OE2 GLU A 9 0.715 -5.446 13.015 1.00 0.00 O ATOM 0 H GLU A 9 6.094 -6.753 13.950 1.00 0.00 H new ATOM 0 HA GLU A 9 3.991 -8.082 12.633 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.923 -5.276 12.990 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.867 -5.575 11.625 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.093 -6.792 14.271 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.906 -5.058 14.095 1.00 0.00 H new ATOM 53 N GLU A 10 6.541 -7.206 10.797 1.00 0.00 N ATOM 54 CA GLU A 10 7.154 -7.352 9.487 1.00 0.00 C ATOM 55 C GLU A 10 7.246 -8.831 9.106 1.00 0.00 C ATOM 56 O GLU A 10 7.160 -9.178 7.929 1.00 0.00 O ATOM 57 CB GLU A 10 8.533 -6.690 9.451 1.00 0.00 C ATOM 58 CG GLU A 10 9.256 -7.001 8.139 1.00 0.00 C ATOM 59 CD GLU A 10 10.192 -5.857 7.744 1.00 0.00 C ATOM 60 OE1 GLU A 10 9.663 -4.825 7.278 1.00 0.00 O ATOM 61 OE2 GLU A 10 11.417 -6.041 7.917 1.00 0.00 O ATOM 0 H GLU A 10 7.152 -6.812 11.512 1.00 0.00 H new ATOM 0 HA GLU A 10 6.525 -6.847 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.426 -5.611 9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.131 -7.041 10.292 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.827 -7.923 8.244 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.525 -7.167 7.348 1.00 0.00 H new ATOM 68 N LYS A 11 7.418 -9.662 10.123 1.00 0.00 N ATOM 69 CA LYS A 11 7.521 -11.095 9.910 1.00 0.00 C ATOM 70 C LYS A 11 6.170 -11.635 9.438 1.00 0.00 C ATOM 71 O LYS A 11 6.115 -12.553 8.621 1.00 0.00 O ATOM 72 CB LYS A 11 8.056 -11.787 11.165 1.00 0.00 C ATOM 73 CG LYS A 11 9.436 -11.246 11.544 1.00 0.00 C ATOM 74 CD LYS A 11 10.544 -12.012 10.819 1.00 0.00 C ATOM 75 CE LYS A 11 11.197 -11.143 9.742 1.00 0.00 C ATOM 76 NZ LYS A 11 12.440 -11.777 9.249 1.00 0.00 N ATOM 0 H LYS A 11 7.489 -9.370 11.098 1.00 0.00 H new ATOM 0 HA LYS A 11 8.243 -11.312 9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.362 -11.635 11.992 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.117 -12.862 10.994 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.497 -10.187 11.293 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.579 -11.327 12.622 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.298 -12.335 11.537 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.131 -12.912 10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.503 -10.997 8.914 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.421 -10.157 10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.109 -11.040 8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.868 -12.341 10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.218 -12.395 8.443 1.00 0.00 H new ATOM 90 N ASP A 12 5.113 -11.043 9.973 1.00 0.00 N ATOM 91 CA ASP A 12 3.765 -11.453 9.617 1.00 0.00 C ATOM 92 C ASP A 12 3.561 -11.268 8.112 1.00 0.00 C ATOM 93 O ASP A 12 2.916 -12.090 7.463 1.00 0.00 O ATOM 94 CB ASP A 12 2.720 -10.604 10.343 1.00 0.00 C ATOM 95 CG ASP A 12 1.429 -11.339 10.708 1.00 0.00 C ATOM 96 OD1 ASP A 12 1.546 -12.413 11.337 1.00 0.00 O ATOM 97 OD2 ASP A 12 0.355 -10.810 10.350 1.00 0.00 O ATOM 0 H ASP A 12 5.162 -10.282 10.651 1.00 0.00 H new ATOM 0 HA ASP A 12 3.644 -12.497 9.905 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.166 -10.209 11.256 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.468 -9.749 9.715 1.00 0.00 H new ATOM 102 N PHE A 13 4.123 -10.182 7.600 1.00 0.00 N ATOM 103 CA PHE A 13 4.011 -9.879 6.183 1.00 0.00 C ATOM 104 C PHE A 13 5.062 -10.641 5.374 1.00 0.00 C ATOM 105 O PHE A 13 4.736 -11.288 4.380 1.00 0.00 O ATOM 106 CB PHE A 13 4.255 -8.377 6.027 1.00 0.00 C ATOM 107 CG PHE A 13 5.030 -8.000 4.763 1.00 0.00 C ATOM 108 CD1 PHE A 13 6.389 -8.064 4.754 1.00 0.00 C ATOM 109 CD2 PHE A 13 4.361 -7.602 3.648 1.00 0.00 C ATOM 110 CE1 PHE A 13 7.108 -7.714 3.580 1.00 0.00 C ATOM 111 CE2 PHE A 13 5.080 -7.253 2.474 1.00 0.00 C ATOM 112 CZ PHE A 13 6.438 -7.316 2.465 1.00 0.00 C ATOM 0 H PHE A 13 4.657 -9.502 8.141 1.00 0.00 H new ATOM 0 HA PHE A 13 3.027 -10.172 5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.294 -7.862 6.019 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.802 -8.016 6.898 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.921 -8.381 5.639 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.282 -7.551 3.655 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.187 -7.764 3.573 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.548 -6.938 1.589 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.985 -7.050 1.573 1.00 0.00 H new ATOM 122 N ARG A 14 6.302 -10.540 5.831 1.00 0.00 N ATOM 123 CA ARG A 14 7.403 -11.213 5.162 1.00 0.00 C ATOM 124 C ARG A 14 7.155 -12.722 5.117 1.00 0.00 C ATOM 125 O ARG A 14 7.511 -13.384 4.144 1.00 0.00 O ATOM 126 CB ARG A 14 8.729 -10.941 5.875 1.00 0.00 C ATOM 127 CG ARG A 14 9.746 -12.044 5.579 1.00 0.00 C ATOM 128 CD ARG A 14 11.160 -11.470 5.462 1.00 0.00 C ATOM 129 NE ARG A 14 11.542 -10.804 6.727 1.00 0.00 N ATOM 130 CZ ARG A 14 11.466 -9.472 6.934 1.00 0.00 C ATOM 131 NH1 ARG A 14 11.022 -8.651 5.959 1.00 0.00 N ATOM 132 NH2 ARG A 14 11.834 -8.984 8.104 1.00 0.00 N ATOM 0 H ARG A 14 6.568 -10.003 6.656 1.00 0.00 H new ATOM 0 HA ARG A 14 7.463 -10.822 4.146 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.128 -9.978 5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.561 -10.875 6.950 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.718 -12.792 6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.478 -12.551 4.652 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.867 -12.267 5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.205 -10.758 4.638 1.00 0.00 H new ATOM 0 HE ARG A 14 11.884 -11.388 7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.741 -9.036 5.057 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.968 -7.646 6.124 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.170 -9.611 8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.783 -7.980 8.277 1.00 0.00 H new ATOM 146 N LYS A 15 6.546 -13.221 6.183 1.00 0.00 N ATOM 147 CA LYS A 15 6.247 -14.639 6.278 1.00 0.00 C ATOM 148 C LYS A 15 5.507 -15.086 5.016 1.00 0.00 C ATOM 149 O LYS A 15 5.960 -15.988 4.313 1.00 0.00 O ATOM 150 CB LYS A 15 5.490 -14.942 7.574 1.00 0.00 C ATOM 151 CG LYS A 15 4.208 -14.113 7.666 1.00 0.00 C ATOM 152 CD LYS A 15 2.996 -14.924 7.204 1.00 0.00 C ATOM 153 CE LYS A 15 2.410 -15.740 8.358 1.00 0.00 C ATOM 154 NZ LYS A 15 2.512 -17.189 8.073 1.00 0.00 N ATOM 0 H LYS A 15 6.252 -12.668 6.988 1.00 0.00 H new ATOM 0 HA LYS A 15 7.168 -15.219 6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.245 -16.003 7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.128 -14.727 8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.058 -13.782 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.305 -13.217 7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.235 -14.253 6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.288 -15.592 6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.940 -15.507 9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.366 -15.466 8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.110 -17.728 8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.987 -17.409 7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.511 -17.449 7.949 1.00 0.00 H new ATOM 168 N LYS A 16 4.381 -14.433 4.766 1.00 0.00 N ATOM 169 CA LYS A 16 3.575 -14.751 3.600 1.00 0.00 C ATOM 170 C LYS A 16 4.138 -14.021 2.380 1.00 0.00 C ATOM 171 O LYS A 16 4.087 -14.536 1.265 1.00 0.00 O ATOM 172 CB LYS A 16 2.099 -14.449 3.871 1.00 0.00 C ATOM 173 CG LYS A 16 1.193 -15.290 2.970 1.00 0.00 C ATOM 174 CD LYS A 16 1.178 -16.753 3.420 1.00 0.00 C ATOM 175 CE LYS A 16 1.320 -17.696 2.223 1.00 0.00 C ATOM 176 NZ LYS A 16 2.556 -18.500 2.341 1.00 0.00 N ATOM 0 H LYS A 16 4.008 -13.685 5.351 1.00 0.00 H new ATOM 0 HA LYS A 16 3.624 -15.818 3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.868 -14.653 4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.904 -13.390 3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.180 -14.889 2.991 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.540 -15.227 1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.991 -16.929 4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.248 -16.966 3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.454 -18.356 2.167 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.341 -17.119 1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.637 -19.134 1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.380 -17.867 2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.521 -19.065 3.213 1.00 0.00 H new ATOM 190 N PHE A 17 4.664 -12.831 2.633 1.00 0.00 N ATOM 191 CA PHE A 17 5.236 -12.024 1.569 1.00 0.00 C ATOM 192 C PHE A 17 6.709 -12.374 1.348 1.00 0.00 C ATOM 193 O PHE A 17 7.499 -11.523 0.940 1.00 0.00 O ATOM 194 CB PHE A 17 5.132 -10.563 2.011 1.00 0.00 C ATOM 195 CG PHE A 17 3.713 -9.993 1.949 1.00 0.00 C ATOM 196 CD1 PHE A 17 2.717 -10.570 2.674 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.448 -8.911 1.170 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.401 -10.042 2.617 1.00 0.00 C ATOM 199 CE2 PHE A 17 2.131 -8.382 1.113 1.00 0.00 C ATOM 200 CZ PHE A 17 1.135 -8.959 1.838 1.00 0.00 C ATOM 0 H PHE A 17 4.706 -12.407 3.560 1.00 0.00 H new ATOM 0 HA PHE A 17 4.703 -12.206 0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.503 -10.476 3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.784 -9.957 1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.928 -11.430 3.293 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.239 -8.453 0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.610 -10.500 3.192 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.920 -7.522 0.494 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.133 -8.557 1.795 1.00 0.00 H new ATOM 210 N LYS A 18 7.035 -13.627 1.627 1.00 0.00 N ATOM 211 CA LYS A 18 8.399 -14.100 1.464 1.00 0.00 C ATOM 212 C LYS A 18 9.031 -13.412 0.253 1.00 0.00 C ATOM 213 O LYS A 18 10.137 -13.761 -0.157 1.00 0.00 O ATOM 214 CB LYS A 18 8.431 -15.628 1.389 1.00 0.00 C ATOM 215 CG LYS A 18 9.444 -16.205 2.380 1.00 0.00 C ATOM 216 CD LYS A 18 10.875 -16.014 1.875 1.00 0.00 C ATOM 217 CE LYS A 18 11.578 -14.886 2.634 1.00 0.00 C ATOM 218 NZ LYS A 18 13.026 -15.168 2.758 1.00 0.00 N ATOM 0 H LYS A 18 6.378 -14.330 1.965 1.00 0.00 H new ATOM 0 HA LYS A 18 9.001 -13.834 2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.440 -16.027 1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.688 -15.941 0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.328 -15.718 3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.246 -17.266 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.434 -16.942 1.996 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.861 -15.787 0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.429 -13.941 2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.137 -14.776 3.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.488 -14.393 3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.163 -16.060 3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.446 -15.250 1.810 1.00 0.00 H new ATOM 232 N TYR A 19 8.302 -12.445 -0.286 1.00 0.00 N ATOM 233 CA TYR A 19 8.778 -11.704 -1.442 1.00 0.00 C ATOM 234 C TYR A 19 10.037 -10.905 -1.100 1.00 0.00 C ATOM 235 O TYR A 19 10.021 -10.070 -0.197 1.00 0.00 O ATOM 236 CB TYR A 19 7.656 -10.732 -1.811 1.00 0.00 C ATOM 237 CG TYR A 19 8.149 -9.371 -2.305 1.00 0.00 C ATOM 238 CD1 TYR A 19 8.979 -9.296 -3.405 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.764 -8.218 -1.651 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.444 -8.015 -3.871 1.00 0.00 C ATOM 241 CE2 TYR A 19 8.229 -6.937 -2.117 1.00 0.00 C ATOM 242 CZ TYR A 19 9.046 -6.899 -3.203 1.00 0.00 C ATOM 243 OH TYR A 19 9.484 -5.689 -3.643 1.00 0.00 O ATOM 0 H TYR A 19 7.385 -12.158 0.057 1.00 0.00 H new ATOM 0 HA TYR A 19 9.028 -12.383 -2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.037 -11.185 -2.585 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.018 -10.582 -0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.280 -10.198 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.114 -8.276 -0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.094 -7.942 -4.731 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.935 -6.027 -1.615 1.00 0.00 H new ATOM 0 HH TYR A 19 9.119 -4.981 -3.071 1.00 0.00 H new ATOM 253 N ASP A 20 11.099 -11.189 -1.841 1.00 0.00 N ATOM 254 CA ASP A 20 12.364 -10.508 -1.628 1.00 0.00 C ATOM 255 C ASP A 20 12.519 -9.394 -2.666 1.00 0.00 C ATOM 256 O ASP A 20 12.926 -9.649 -3.798 1.00 0.00 O ATOM 257 CB ASP A 20 13.542 -11.470 -1.788 1.00 0.00 C ATOM 258 CG ASP A 20 13.892 -12.278 -0.536 1.00 0.00 C ATOM 259 OD1 ASP A 20 12.938 -12.696 0.155 1.00 0.00 O ATOM 260 OD2 ASP A 20 15.106 -12.458 -0.298 1.00 0.00 O ATOM 0 H ASP A 20 11.108 -11.882 -2.590 1.00 0.00 H new ATOM 0 HA ASP A 20 12.363 -10.105 -0.615 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.318 -12.163 -2.599 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.420 -10.899 -2.091 1.00 0.00 H new ATOM 265 N GLY A 21 12.187 -8.184 -2.242 1.00 0.00 N ATOM 266 CA GLY A 21 12.284 -7.030 -3.121 1.00 0.00 C ATOM 267 C GLY A 21 12.613 -5.764 -2.328 1.00 0.00 C ATOM 268 O GLY A 21 12.943 -5.835 -1.145 1.00 0.00 O ATOM 0 H GLY A 21 11.850 -7.977 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.055 -7.204 -3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.343 -6.895 -3.655 1.00 0.00 H new ATOM 272 N GLU A 22 12.511 -4.633 -3.012 1.00 0.00 N ATOM 273 CA GLU A 22 12.793 -3.352 -2.386 1.00 0.00 C ATOM 274 C GLU A 22 11.488 -2.633 -2.038 1.00 0.00 C ATOM 275 O GLU A 22 10.932 -1.913 -2.866 1.00 0.00 O ATOM 276 CB GLU A 22 13.674 -2.485 -3.287 1.00 0.00 C ATOM 277 CG GLU A 22 14.014 -1.157 -2.607 1.00 0.00 C ATOM 278 CD GLU A 22 14.155 -0.034 -3.637 1.00 0.00 C ATOM 279 OE1 GLU A 22 13.501 -0.149 -4.695 1.00 0.00 O ATOM 280 OE2 GLU A 22 14.914 0.914 -3.342 1.00 0.00 O ATOM 0 H GLU A 22 12.237 -4.577 -3.993 1.00 0.00 H new ATOM 0 HA GLU A 22 13.342 -3.533 -1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.593 -3.020 -3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.160 -2.294 -4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.234 -0.902 -1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.943 -1.259 -2.045 1.00 0.00 H new ATOM 287 N ILE A 23 11.039 -2.852 -0.811 1.00 0.00 N ATOM 288 CA ILE A 23 9.810 -2.233 -0.343 1.00 0.00 C ATOM 289 C ILE A 23 10.022 -0.724 -0.212 1.00 0.00 C ATOM 290 O ILE A 23 10.725 -0.268 0.688 1.00 0.00 O ATOM 291 CB ILE A 23 9.332 -2.901 0.948 1.00 0.00 C ATOM 292 CG1 ILE A 23 8.001 -3.624 0.731 1.00 0.00 C ATOM 293 CG2 ILE A 23 9.255 -1.889 2.093 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.842 -4.787 1.712 1.00 0.00 C ATOM 0 H ILE A 23 11.504 -3.449 -0.127 1.00 0.00 H new ATOM 0 HA ILE A 23 9.009 -2.381 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 23 10.065 -3.655 1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.177 -2.922 0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.948 -3.997 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.913 -2.390 2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.242 -1.460 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.555 -1.095 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.888 -5.284 1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.654 -5.499 1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.871 -4.408 2.734 1.00 0.00 H new ATOM 306 N ARG A 24 9.400 0.010 -1.123 1.00 0.00 N ATOM 307 CA ARG A 24 9.512 1.459 -1.121 1.00 0.00 C ATOM 308 C ARG A 24 8.284 2.087 -1.783 1.00 0.00 C ATOM 309 O ARG A 24 8.044 1.885 -2.973 1.00 0.00 O ATOM 310 CB ARG A 24 10.771 1.915 -1.861 1.00 0.00 C ATOM 311 CG ARG A 24 11.083 3.382 -1.559 1.00 0.00 C ATOM 312 CD ARG A 24 10.608 4.289 -2.696 1.00 0.00 C ATOM 313 NE ARG A 24 10.217 5.612 -2.159 1.00 0.00 N ATOM 314 CZ ARG A 24 11.095 6.551 -1.747 1.00 0.00 C ATOM 315 NH1 ARG A 24 12.424 6.320 -1.807 1.00 0.00 N ATOM 316 NH2 ARG A 24 10.634 7.698 -1.284 1.00 0.00 N ATOM 0 H ARG A 24 8.817 -0.372 -1.868 1.00 0.00 H new ATOM 0 HA ARG A 24 9.576 1.785 -0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.616 1.292 -1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.635 1.782 -2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.599 3.676 -0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.156 3.507 -1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.402 4.407 -3.434 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.762 3.831 -3.208 1.00 0.00 H new ATOM 0 HE ARG A 24 9.222 5.828 -2.096 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.771 5.431 -2.166 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.081 7.035 -1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.628 7.864 -1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.283 8.419 -0.968 1.00 0.00 H new ATOM 330 N VAL A 25 7.538 2.835 -0.983 1.00 0.00 N ATOM 331 CA VAL A 25 6.340 3.494 -1.477 1.00 0.00 C ATOM 332 C VAL A 25 6.735 4.556 -2.505 1.00 0.00 C ATOM 333 O VAL A 25 7.151 5.654 -2.139 1.00 0.00 O ATOM 334 CB VAL A 25 5.537 4.064 -0.306 1.00 0.00 C ATOM 335 CG1 VAL A 25 4.267 4.760 -0.801 1.00 0.00 C ATOM 336 CG2 VAL A 25 5.202 2.972 0.712 1.00 0.00 C ATOM 0 H VAL A 25 7.740 2.999 0.003 1.00 0.00 H new ATOM 0 HA VAL A 25 5.690 2.779 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 25 6.155 4.809 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.714 5.156 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.537 5.577 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.644 4.043 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.631 3.404 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.611 2.194 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.125 2.540 1.099 1.00 0.00 H new ATOM 346 N LEU A 26 6.589 4.192 -3.770 1.00 0.00 N ATOM 347 CA LEU A 26 6.925 5.100 -4.854 1.00 0.00 C ATOM 348 C LEU A 26 5.687 5.915 -5.232 1.00 0.00 C ATOM 349 O LEU A 26 5.754 7.139 -5.340 1.00 0.00 O ATOM 350 CB LEU A 26 7.537 4.331 -6.027 1.00 0.00 C ATOM 351 CG LEU A 26 8.526 5.111 -6.896 1.00 0.00 C ATOM 352 CD1 LEU A 26 8.549 4.565 -8.325 1.00 0.00 C ATOM 353 CD2 LEU A 26 8.224 6.610 -6.860 1.00 0.00 C ATOM 0 H LEU A 26 6.242 3.281 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 26 7.689 5.809 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.045 3.451 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.728 3.974 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 26 9.525 4.974 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.260 5.137 -8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.849 3.517 -8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.555 4.652 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.941 7.141 -7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.216 6.787 -7.234 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.299 6.972 -5.835 1.00 0.00 H new ATOM 365 N TYR A 27 4.585 5.205 -5.424 1.00 0.00 N ATOM 366 CA TYR A 27 3.334 5.847 -5.788 1.00 0.00 C ATOM 367 C TYR A 27 2.209 5.435 -4.836 1.00 0.00 C ATOM 368 O TYR A 27 1.492 4.470 -5.097 1.00 0.00 O ATOM 369 CB TYR A 27 3.000 5.353 -7.197 1.00 0.00 C ATOM 370 CG TYR A 27 2.646 3.866 -7.267 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.647 2.917 -7.239 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.326 3.475 -7.359 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.314 1.517 -7.306 1.00 0.00 C ATOM 374 CE2 TYR A 27 0.993 2.075 -7.425 1.00 0.00 C ATOM 375 CZ TYR A 27 2.003 1.166 -7.395 1.00 0.00 C ATOM 376 OH TYR A 27 1.689 -0.156 -7.458 1.00 0.00 O ATOM 0 H TYR A 27 4.533 4.190 -5.334 1.00 0.00 H new ATOM 0 HA TYR A 27 3.431 6.932 -5.737 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.164 5.934 -7.586 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.852 5.544 -7.850 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.680 3.224 -7.167 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.543 4.218 -7.382 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.088 0.764 -7.286 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.036 1.755 -7.497 1.00 0.00 H new ATOM 0 HH TYR A 27 1.810 -0.563 -6.575 1.00 0.00 H new ATOM 386 N SER A 28 2.089 6.187 -3.752 1.00 0.00 N ATOM 387 CA SER A 28 1.063 5.912 -2.760 1.00 0.00 C ATOM 388 C SER A 28 -0.313 6.285 -3.314 1.00 0.00 C ATOM 389 O SER A 28 -0.612 7.463 -3.502 1.00 0.00 O ATOM 390 CB SER A 28 1.336 6.672 -1.460 1.00 0.00 C ATOM 391 OG SER A 28 1.418 8.079 -1.671 1.00 0.00 O ATOM 0 H SER A 28 2.685 6.987 -3.539 1.00 0.00 H new ATOM 0 HA SER A 28 1.081 4.845 -2.536 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.544 6.459 -0.742 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.268 6.316 -1.021 1.00 0.00 H new ATOM 0 HG SER A 28 0.696 8.363 -2.270 1.00 0.00 H new ATOM 397 N THR A 29 -1.115 5.258 -3.558 1.00 0.00 N ATOM 398 CA THR A 29 -2.453 5.463 -4.087 1.00 0.00 C ATOM 399 C THR A 29 -3.436 5.754 -2.951 1.00 0.00 C ATOM 400 O THR A 29 -3.163 5.439 -1.793 1.00 0.00 O ATOM 401 CB THR A 29 -2.828 4.233 -4.915 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.857 4.699 -5.783 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.509 3.148 -4.078 1.00 0.00 C ATOM 0 H THR A 29 -0.864 4.282 -3.399 1.00 0.00 H new ATOM 0 HA THR A 29 -2.491 6.335 -4.740 1.00 0.00 H new ATOM 0 HB THR A 29 -1.932 3.823 -5.381 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.815 4.210 -6.632 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.754 2.298 -4.714 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.836 2.825 -3.284 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.423 3.548 -3.639 1.00 0.00 H new ATOM 411 N LYS A 30 -4.560 6.350 -3.322 1.00 0.00 N ATOM 412 CA LYS A 30 -5.585 6.686 -2.348 1.00 0.00 C ATOM 413 C LYS A 30 -6.711 5.653 -2.423 1.00 0.00 C ATOM 414 O LYS A 30 -7.153 5.290 -3.512 1.00 0.00 O ATOM 415 CB LYS A 30 -6.058 8.128 -2.545 1.00 0.00 C ATOM 416 CG LYS A 30 -6.958 8.572 -1.390 1.00 0.00 C ATOM 417 CD LYS A 30 -8.434 8.495 -1.785 1.00 0.00 C ATOM 418 CE LYS A 30 -9.339 8.735 -0.574 1.00 0.00 C ATOM 419 NZ LYS A 30 -9.624 10.178 -0.418 1.00 0.00 N ATOM 0 H LYS A 30 -4.783 6.609 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.180 6.643 -1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.196 8.791 -2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.601 8.211 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.777 7.941 -0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.708 9.593 -1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.647 9.236 -2.555 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.648 7.517 -2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.272 8.185 -0.695 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.859 8.354 0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.239 10.323 0.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.732 10.695 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.101 10.532 -1.271 1.00 0.00 H new ATOM 433 N VAL A 31 -7.143 5.210 -1.252 1.00 0.00 N ATOM 434 CA VAL A 31 -8.209 4.226 -1.170 1.00 0.00 C ATOM 435 C VAL A 31 -9.538 4.890 -1.537 1.00 0.00 C ATOM 436 O VAL A 31 -9.956 5.849 -0.891 1.00 0.00 O ATOM 437 CB VAL A 31 -8.224 3.584 0.218 1.00 0.00 C ATOM 438 CG1 VAL A 31 -8.832 2.181 0.167 1.00 0.00 C ATOM 439 CG2 VAL A 31 -6.819 3.552 0.823 1.00 0.00 C ATOM 0 H VAL A 31 -6.774 5.515 -0.351 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.040 3.419 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.852 4.197 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.831 1.747 1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.856 2.241 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.243 1.553 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.858 3.091 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.158 2.973 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.438 4.569 0.913 1.00 0.00 H new ATOM 449 N THR A 32 -10.166 4.352 -2.572 1.00 0.00 N ATOM 450 CA THR A 32 -11.439 4.880 -3.032 1.00 0.00 C ATOM 451 C THR A 32 -12.566 4.448 -2.092 1.00 0.00 C ATOM 452 O THR A 32 -12.329 3.732 -1.120 1.00 0.00 O ATOM 453 CB THR A 32 -11.645 4.424 -4.478 1.00 0.00 C ATOM 454 OG1 THR A 32 -12.725 5.227 -4.945 1.00 0.00 O ATOM 455 CG2 THR A 32 -12.178 2.993 -4.570 1.00 0.00 C ATOM 0 H THR A 32 -9.817 3.556 -3.105 1.00 0.00 H new ATOM 0 HA THR A 32 -11.445 5.970 -3.016 1.00 0.00 H new ATOM 0 HB THR A 32 -10.701 4.496 -5.019 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.924 4.998 -5.877 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.306 2.719 -5.617 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.470 2.310 -4.100 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.138 2.929 -4.058 1.00 0.00 H new ATOM 463 N THR A 33 -13.769 4.901 -2.415 1.00 0.00 N ATOM 464 CA THR A 33 -14.933 4.570 -1.612 1.00 0.00 C ATOM 465 C THR A 33 -15.449 3.175 -1.969 1.00 0.00 C ATOM 466 O THR A 33 -16.233 2.589 -1.223 1.00 0.00 O ATOM 467 CB THR A 33 -15.975 5.673 -1.813 1.00 0.00 C ATOM 468 OG1 THR A 33 -16.874 5.505 -0.720 1.00 0.00 O ATOM 469 CG2 THR A 33 -16.845 5.437 -3.050 1.00 0.00 C ATOM 0 H THR A 33 -13.962 5.494 -3.222 1.00 0.00 H new ATOM 0 HA THR A 33 -14.683 4.528 -0.552 1.00 0.00 H new ATOM 0 HB THR A 33 -15.472 6.636 -1.900 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.581 6.181 -0.771 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.567 6.248 -3.147 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.214 5.405 -3.938 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.374 4.490 -2.947 1.00 0.00 H new ATOM 477 N SER A 34 -14.987 2.682 -3.108 1.00 0.00 N ATOM 478 CA SER A 34 -15.391 1.366 -3.573 1.00 0.00 C ATOM 479 C SER A 34 -14.351 0.323 -3.160 1.00 0.00 C ATOM 480 O SER A 34 -14.366 -0.804 -3.655 1.00 0.00 O ATOM 481 CB SER A 34 -15.583 1.353 -5.091 1.00 0.00 C ATOM 482 OG SER A 34 -15.647 0.027 -5.609 1.00 0.00 O ATOM 0 H SER A 34 -14.336 3.170 -3.723 1.00 0.00 H new ATOM 0 HA SER A 34 -16.347 1.119 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.499 1.886 -5.345 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.760 1.888 -5.565 1.00 0.00 H new ATOM 0 HG SER A 34 -14.853 -0.473 -5.327 1.00 0.00 H new ATOM 488 N ILE A 35 -13.472 0.734 -2.258 1.00 0.00 N ATOM 489 CA ILE A 35 -12.427 -0.151 -1.773 1.00 0.00 C ATOM 490 C ILE A 35 -13.051 -1.236 -0.895 1.00 0.00 C ATOM 491 O ILE A 35 -14.235 -1.171 -0.567 1.00 0.00 O ATOM 492 CB ILE A 35 -11.329 0.651 -1.072 1.00 0.00 C ATOM 493 CG1 ILE A 35 -9.956 0.341 -1.672 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.360 0.419 0.439 1.00 0.00 C ATOM 495 CD1 ILE A 35 -9.146 -0.569 -0.746 1.00 0.00 C ATOM 0 H ILE A 35 -13.462 1.669 -1.850 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.938 -0.656 -2.606 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.521 1.711 -1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.079 -0.139 -2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.412 1.270 -1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.569 1.001 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.327 0.730 0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.206 -0.640 0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.175 -0.774 -1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.004 -0.076 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.682 -1.506 -0.597 1.00 0.00 H new ATOM 507 N THR A 36 -12.227 -2.210 -0.538 1.00 0.00 N ATOM 508 CA THR A 36 -12.683 -3.309 0.297 1.00 0.00 C ATOM 509 C THR A 36 -12.945 -2.822 1.723 1.00 0.00 C ATOM 510 O THR A 36 -12.028 -2.370 2.407 1.00 0.00 O ATOM 511 CB THR A 36 -11.642 -4.427 0.218 1.00 0.00 C ATOM 512 OG1 THR A 36 -12.012 -5.321 1.264 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.242 -3.952 0.612 1.00 0.00 C ATOM 0 H THR A 36 -11.246 -2.261 -0.812 1.00 0.00 H new ATOM 0 HA THR A 36 -13.634 -3.706 -0.057 1.00 0.00 H new ATOM 0 HB THR A 36 -11.618 -4.829 -0.795 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.294 -5.360 1.930 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.542 -4.784 0.539 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.927 -3.152 -0.058 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.259 -3.581 1.637 1.00 0.00 H new ATOM 521 N SER A 37 -14.201 -2.931 2.130 1.00 0.00 N ATOM 522 CA SER A 37 -14.596 -2.508 3.463 1.00 0.00 C ATOM 523 C SER A 37 -15.148 -3.699 4.248 1.00 0.00 C ATOM 524 O SER A 37 -15.073 -3.726 5.476 1.00 0.00 O ATOM 525 CB SER A 37 -15.634 -1.386 3.400 1.00 0.00 C ATOM 526 OG SER A 37 -16.848 -1.744 4.055 1.00 0.00 O ATOM 0 H SER A 37 -14.959 -3.306 1.560 1.00 0.00 H new ATOM 0 HA SER A 37 -13.714 -2.122 3.974 1.00 0.00 H new ATOM 0 HB2 SER A 37 -15.225 -0.487 3.861 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.842 -1.143 2.358 1.00 0.00 H new ATOM 0 HG SER A 37 -17.484 -1.001 3.994 1.00 0.00 H new ATOM 532 N LYS A 38 -15.692 -4.654 3.508 1.00 0.00 N ATOM 533 CA LYS A 38 -16.257 -5.844 4.120 1.00 0.00 C ATOM 534 C LYS A 38 -15.301 -7.021 3.916 1.00 0.00 C ATOM 535 O LYS A 38 -14.984 -7.739 4.862 1.00 0.00 O ATOM 536 CB LYS A 38 -17.669 -6.100 3.590 1.00 0.00 C ATOM 537 CG LYS A 38 -17.635 -6.991 2.346 1.00 0.00 C ATOM 538 CD LYS A 38 -19.049 -7.375 1.906 1.00 0.00 C ATOM 539 CE LYS A 38 -19.509 -6.515 0.728 1.00 0.00 C ATOM 540 NZ LYS A 38 -20.983 -6.375 0.732 1.00 0.00 N ATOM 0 H LYS A 38 -15.753 -4.628 2.490 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.365 -5.704 5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.272 -6.574 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.148 -5.151 3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.127 -6.469 1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.059 -7.892 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.073 -8.428 1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.739 -7.254 2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.044 -5.531 0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.183 -6.967 -0.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.278 -5.788 -0.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -21.421 -7.315 0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -21.286 -5.923 1.618 1.00 0.00 H new ATOM 554 N LYS A 39 -14.867 -7.181 2.674 1.00 0.00 N ATOM 555 CA LYS A 39 -13.953 -8.257 2.333 1.00 0.00 C ATOM 556 C LYS A 39 -12.596 -7.995 2.988 1.00 0.00 C ATOM 557 O LYS A 39 -12.008 -6.931 2.800 1.00 0.00 O ATOM 558 CB LYS A 39 -13.880 -8.438 0.816 1.00 0.00 C ATOM 559 CG LYS A 39 -14.051 -9.908 0.429 1.00 0.00 C ATOM 560 CD LYS A 39 -15.515 -10.338 0.540 1.00 0.00 C ATOM 561 CE LYS A 39 -16.312 -9.891 -0.687 1.00 0.00 C ATOM 562 NZ LYS A 39 -15.971 -10.729 -1.859 1.00 0.00 N ATOM 0 H LYS A 39 -15.132 -6.583 1.892 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.318 -9.206 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.655 -7.840 0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.922 -8.071 0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.699 -10.062 -0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.435 -10.532 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.573 -11.422 0.641 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.956 -9.910 1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.380 -9.962 -0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.098 -8.845 -0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.702 -10.618 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.051 -10.432 -2.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.920 -11.727 -1.569 1.00 0.00 H new ATOM 576 N TRP A 40 -12.137 -8.982 3.743 1.00 0.00 N ATOM 577 CA TRP A 40 -10.860 -8.871 4.427 1.00 0.00 C ATOM 578 C TRP A 40 -10.201 -10.252 4.426 1.00 0.00 C ATOM 579 O TRP A 40 -10.833 -11.245 4.783 1.00 0.00 O ATOM 580 CB TRP A 40 -11.039 -8.295 5.833 1.00 0.00 C ATOM 581 CG TRP A 40 -11.509 -6.839 5.853 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.452 -6.288 6.629 1.00 0.00 C ATOM 583 CD2 TRP A 40 -11.016 -5.764 5.026 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.603 -4.942 6.363 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.701 -4.613 5.358 1.00 0.00 C ATOM 586 CE3 TRP A 40 -10.023 -5.764 4.031 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.468 -3.378 4.742 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.802 -4.522 3.425 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.484 -3.354 3.747 1.00 0.00 C ATOM 0 H TRP A 40 -12.627 -9.863 3.896 1.00 0.00 H new ATOM 0 HA TRP A 40 -10.204 -8.172 3.908 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.760 -8.906 6.376 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -10.092 -8.368 6.368 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.022 -6.829 7.370 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -13.256 -4.306 6.820 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.474 -6.652 3.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -12.018 -2.491 5.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.049 -4.467 2.653 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.256 -2.433 3.232 1.00 0.00 H new ATOM 600 N GLY A 41 -8.940 -10.270 4.020 1.00 0.00 N ATOM 601 CA GLY A 41 -8.189 -11.513 3.968 1.00 0.00 C ATOM 602 C GLY A 41 -6.976 -11.460 4.899 1.00 0.00 C ATOM 603 O GLY A 41 -6.523 -10.379 5.273 1.00 0.00 O ATOM 0 H GLY A 41 -8.420 -9.444 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.834 -12.344 4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.860 -11.701 2.946 1.00 0.00 H new ATOM 607 N THR A 42 -6.484 -12.640 5.246 1.00 0.00 N ATOM 608 CA THR A 42 -5.332 -12.742 6.126 1.00 0.00 C ATOM 609 C THR A 42 -4.149 -11.963 5.547 1.00 0.00 C ATOM 610 O THR A 42 -3.371 -11.367 6.290 1.00 0.00 O ATOM 611 CB THR A 42 -5.034 -14.227 6.345 1.00 0.00 C ATOM 612 OG1 THR A 42 -3.969 -14.231 7.291 1.00 0.00 O ATOM 613 CG2 THR A 42 -4.434 -14.892 5.105 1.00 0.00 C ATOM 0 H THR A 42 -6.862 -13.534 4.934 1.00 0.00 H new ATOM 0 HA THR A 42 -5.534 -12.290 7.097 1.00 0.00 H new ATOM 0 HB THR A 42 -5.951 -14.744 6.626 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.713 -15.155 7.492 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.241 -15.944 5.314 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.134 -14.809 4.273 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.499 -14.397 4.843 1.00 0.00 H new ATOM 621 N ARG A 43 -4.051 -11.995 4.226 1.00 0.00 N ATOM 622 CA ARG A 43 -2.975 -11.299 3.540 1.00 0.00 C ATOM 623 C ARG A 43 -3.452 -9.926 3.061 1.00 0.00 C ATOM 624 O ARG A 43 -2.735 -9.233 2.342 1.00 0.00 O ATOM 625 CB ARG A 43 -2.477 -12.106 2.339 1.00 0.00 C ATOM 626 CG ARG A 43 -1.154 -12.805 2.659 1.00 0.00 C ATOM 627 CD ARG A 43 -0.441 -13.242 1.378 1.00 0.00 C ATOM 628 NE ARG A 43 -1.080 -14.461 0.833 1.00 0.00 N ATOM 629 CZ ARG A 43 -2.090 -14.450 -0.062 1.00 0.00 C ATOM 630 NH1 ARG A 43 -2.586 -13.282 -0.522 1.00 0.00 N ATOM 631 NH2 ARG A 43 -2.586 -15.600 -0.481 1.00 0.00 N ATOM 0 H ARG A 43 -4.698 -12.491 3.613 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.154 -11.176 4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.226 -12.847 2.059 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.346 -11.446 1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.511 -12.132 3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.341 -13.674 3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.479 -12.441 0.640 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.611 -13.435 1.586 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.735 -15.366 1.154 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.197 -12.398 -0.193 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.349 -13.283 -1.198 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.206 -16.478 -0.128 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.350 -15.610 -1.157 1.00 0.00 H new ATOM 645 N ASP A 44 -4.659 -9.575 3.479 1.00 0.00 N ATOM 646 CA ASP A 44 -5.239 -8.298 3.102 1.00 0.00 C ATOM 647 C ASP A 44 -5.182 -7.344 4.297 1.00 0.00 C ATOM 648 O ASP A 44 -5.006 -7.778 5.435 1.00 0.00 O ATOM 649 CB ASP A 44 -6.706 -8.458 2.696 1.00 0.00 C ATOM 650 CG ASP A 44 -7.078 -7.820 1.355 1.00 0.00 C ATOM 651 OD1 ASP A 44 -6.833 -8.484 0.324 1.00 0.00 O ATOM 652 OD2 ASP A 44 -7.599 -6.685 1.392 1.00 0.00 O ATOM 0 H ASP A 44 -5.251 -10.153 4.075 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.671 -7.906 2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.942 -9.521 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.333 -8.023 3.475 1.00 0.00 H new ATOM 657 N LEU A 45 -5.332 -6.062 3.998 1.00 0.00 N ATOM 658 CA LEU A 45 -5.299 -5.043 5.033 1.00 0.00 C ATOM 659 C LEU A 45 -6.732 -4.672 5.423 1.00 0.00 C ATOM 660 O LEU A 45 -7.656 -4.829 4.627 1.00 0.00 O ATOM 661 CB LEU A 45 -4.455 -3.849 4.583 1.00 0.00 C ATOM 662 CG LEU A 45 -3.535 -3.241 5.643 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.504 -4.263 6.126 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.874 -1.961 5.127 1.00 0.00 C ATOM 0 H LEU A 45 -5.477 -5.706 3.053 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.813 -5.427 5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.844 -4.160 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.127 -3.070 4.223 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.143 -2.965 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.863 -3.805 6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.018 -5.121 6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.896 -4.592 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.225 -1.549 5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.282 -2.189 4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.643 -1.232 4.872 1.00 0.00 H new ATOM 676 N GLN A 46 -6.870 -4.186 6.648 1.00 0.00 N ATOM 677 CA GLN A 46 -8.174 -3.791 7.153 1.00 0.00 C ATOM 678 C GLN A 46 -8.453 -2.325 6.815 1.00 0.00 C ATOM 679 O GLN A 46 -9.152 -1.635 7.556 1.00 0.00 O ATOM 680 CB GLN A 46 -8.276 -4.035 8.660 1.00 0.00 C ATOM 681 CG GLN A 46 -9.568 -3.443 9.225 1.00 0.00 C ATOM 682 CD GLN A 46 -10.060 -4.249 10.430 1.00 0.00 C ATOM 683 OE1 GLN A 46 -9.967 -3.828 11.571 1.00 0.00 O ATOM 684 NE2 GLN A 46 -10.585 -5.429 10.112 1.00 0.00 N ATOM 0 H GLN A 46 -6.101 -4.057 7.305 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.931 -4.406 6.667 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.244 -5.106 8.862 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.417 -3.590 9.163 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.399 -2.407 9.520 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.336 -3.433 8.452 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.632 -5.720 9.135 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.941 -6.043 10.845 1.00 0.00 H new ATOM 693 N VAL A 47 -7.891 -1.891 5.696 1.00 0.00 N ATOM 694 CA VAL A 47 -8.070 -0.520 5.251 1.00 0.00 C ATOM 695 C VAL A 47 -9.548 -0.277 4.941 1.00 0.00 C ATOM 696 O VAL A 47 -10.304 -1.223 4.726 1.00 0.00 O ATOM 697 CB VAL A 47 -7.154 -0.233 4.059 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.693 -0.524 4.407 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.593 -1.027 2.827 1.00 0.00 C ATOM 0 H VAL A 47 -7.311 -2.465 5.084 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.785 0.177 6.039 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.236 0.828 3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.064 -0.312 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.386 0.105 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.587 -1.573 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.926 -0.805 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.554 -2.094 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.612 -0.749 2.559 1.00 0.00 H new ATOM 709 N LYS A 48 -9.916 0.995 4.929 1.00 0.00 N ATOM 710 CA LYS A 48 -11.291 1.374 4.649 1.00 0.00 C ATOM 711 C LYS A 48 -11.343 2.156 3.335 1.00 0.00 C ATOM 712 O LYS A 48 -10.350 2.757 2.927 1.00 0.00 O ATOM 713 CB LYS A 48 -11.892 2.128 5.837 1.00 0.00 C ATOM 714 CG LYS A 48 -12.095 1.194 7.033 1.00 0.00 C ATOM 715 CD LYS A 48 -10.958 1.346 8.046 1.00 0.00 C ATOM 716 CE LYS A 48 -11.390 0.861 9.431 1.00 0.00 C ATOM 717 NZ LYS A 48 -10.211 0.679 10.307 1.00 0.00 N ATOM 0 H LYS A 48 -9.286 1.777 5.109 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.911 0.487 4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.235 2.950 6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.847 2.568 5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.048 1.415 7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.144 0.161 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.090 0.778 7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.653 2.391 8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.075 1.582 9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.932 -0.080 9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.522 0.350 11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.572 -0.025 9.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.710 1.585 10.407 1.00 0.00 H new ATOM 731 N PRO A 49 -12.541 2.122 2.692 1.00 0.00 N ATOM 732 CA PRO A 49 -12.735 2.820 1.433 1.00 0.00 C ATOM 733 C PRO A 49 -12.858 4.329 1.656 1.00 0.00 C ATOM 734 O PRO A 49 -13.676 4.777 2.458 1.00 0.00 O ATOM 735 CB PRO A 49 -13.987 2.205 0.831 1.00 0.00 C ATOM 736 CG PRO A 49 -14.707 1.516 1.979 1.00 0.00 C ATOM 737 CD PRO A 49 -13.738 1.420 3.146 1.00 0.00 C ATOM 0 HA PRO A 49 -11.888 2.709 0.756 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.618 2.969 0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.733 1.493 0.046 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.595 2.079 2.266 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.042 0.523 1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.151 1.881 4.043 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.518 0.382 3.394 1.00 0.00 H new ATOM 745 N GLY A 50 -12.034 5.071 0.932 1.00 0.00 N ATOM 746 CA GLY A 50 -12.040 6.520 1.040 1.00 0.00 C ATOM 747 C GLY A 50 -10.883 7.010 1.913 1.00 0.00 C ATOM 748 O GLY A 50 -10.841 8.178 2.296 1.00 0.00 O ATOM 0 H GLY A 50 -11.357 4.696 0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.963 6.962 0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.987 6.853 1.465 1.00 0.00 H new ATOM 752 N GLU A 51 -9.973 6.092 2.204 1.00 0.00 N ATOM 753 CA GLU A 51 -8.819 6.415 3.025 1.00 0.00 C ATOM 754 C GLU A 51 -7.557 6.483 2.163 1.00 0.00 C ATOM 755 O GLU A 51 -7.587 6.136 0.983 1.00 0.00 O ATOM 756 CB GLU A 51 -8.653 5.404 4.161 1.00 0.00 C ATOM 757 CG GLU A 51 -9.161 5.979 5.485 1.00 0.00 C ATOM 758 CD GLU A 51 -10.687 5.900 5.568 1.00 0.00 C ATOM 759 OE1 GLU A 51 -11.266 5.201 4.709 1.00 0.00 O ATOM 760 OE2 GLU A 51 -11.239 6.541 6.488 1.00 0.00 O ATOM 0 H GLU A 51 -10.012 5.124 1.885 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.981 7.394 3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.199 4.491 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.602 5.130 4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.719 5.431 6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.841 7.017 5.581 1.00 0.00 H new ATOM 767 N SER A 52 -6.477 6.932 2.785 1.00 0.00 N ATOM 768 CA SER A 52 -5.206 7.049 2.090 1.00 0.00 C ATOM 769 C SER A 52 -4.199 6.053 2.668 1.00 0.00 C ATOM 770 O SER A 52 -4.034 5.967 3.884 1.00 0.00 O ATOM 771 CB SER A 52 -4.657 8.474 2.183 1.00 0.00 C ATOM 772 OG SER A 52 -3.755 8.628 3.275 1.00 0.00 O ATOM 0 H SER A 52 -6.456 7.219 3.763 1.00 0.00 H new ATOM 0 HA SER A 52 -5.370 6.820 1.037 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.148 8.728 1.253 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.484 9.175 2.295 1.00 0.00 H new ATOM 0 HG SER A 52 -3.425 9.551 3.299 1.00 0.00 H new ATOM 778 N LEU A 53 -3.552 5.326 1.770 1.00 0.00 N ATOM 779 CA LEU A 53 -2.565 4.339 2.175 1.00 0.00 C ATOM 780 C LEU A 53 -1.384 4.377 1.204 1.00 0.00 C ATOM 781 O LEU A 53 -1.525 4.822 0.066 1.00 0.00 O ATOM 782 CB LEU A 53 -3.211 2.958 2.306 1.00 0.00 C ATOM 783 CG LEU A 53 -2.876 1.954 1.201 1.00 0.00 C ATOM 784 CD1 LEU A 53 -3.861 0.783 1.207 1.00 0.00 C ATOM 785 CD2 LEU A 53 -2.813 2.642 -0.164 1.00 0.00 C ATOM 0 H LEU A 53 -3.692 5.400 0.762 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.172 4.576 3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.913 2.529 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.293 3.086 2.337 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.886 1.544 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.600 0.084 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.813 0.272 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.872 1.157 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.573 1.906 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.778 3.098 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.043 3.413 -0.148 1.00 0.00 H new ATOM 797 N GLU A 54 -0.245 3.903 1.689 1.00 0.00 N ATOM 798 CA GLU A 54 0.960 3.876 0.878 1.00 0.00 C ATOM 799 C GLU A 54 0.948 2.661 -0.052 1.00 0.00 C ATOM 800 O GLU A 54 0.618 1.554 0.372 1.00 0.00 O ATOM 801 CB GLU A 54 2.212 3.882 1.756 1.00 0.00 C ATOM 802 CG GLU A 54 2.866 5.266 1.770 1.00 0.00 C ATOM 803 CD GLU A 54 2.386 6.087 2.969 1.00 0.00 C ATOM 804 OE1 GLU A 54 2.494 5.560 4.097 1.00 0.00 O ATOM 805 OE2 GLU A 54 1.923 7.223 2.730 1.00 0.00 O ATOM 0 H GLU A 54 -0.132 3.535 2.633 1.00 0.00 H new ATOM 0 HA GLU A 54 0.982 4.777 0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.949 3.590 2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.923 3.143 1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.950 5.160 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.630 5.793 0.846 1.00 0.00 H new ATOM 812 N VAL A 55 1.312 2.908 -1.301 1.00 0.00 N ATOM 813 CA VAL A 55 1.347 1.847 -2.294 1.00 0.00 C ATOM 814 C VAL A 55 2.801 1.454 -2.563 1.00 0.00 C ATOM 815 O VAL A 55 3.637 2.310 -2.850 1.00 0.00 O ATOM 816 CB VAL A 55 0.604 2.288 -3.557 1.00 0.00 C ATOM 817 CG1 VAL A 55 1.190 1.617 -4.800 1.00 0.00 C ATOM 818 CG2 VAL A 55 -0.895 2.006 -3.437 1.00 0.00 C ATOM 0 H VAL A 55 1.585 3.827 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 55 0.833 0.960 -1.923 1.00 0.00 H new ATOM 0 HB VAL A 55 0.735 3.365 -3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.644 1.948 -5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.241 1.890 -4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.104 0.535 -4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.400 2.329 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.054 0.937 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.301 2.551 -2.585 1.00 0.00 H new ATOM 828 N ILE A 56 3.059 0.159 -2.460 1.00 0.00 N ATOM 829 CA ILE A 56 4.398 -0.358 -2.688 1.00 0.00 C ATOM 830 C ILE A 56 4.532 -0.784 -4.152 1.00 0.00 C ATOM 831 O ILE A 56 4.080 -0.078 -5.052 1.00 0.00 O ATOM 832 CB ILE A 56 4.719 -1.473 -1.691 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.350 -1.057 -0.266 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.183 -1.903 -1.802 1.00 0.00 C ATOM 835 CD1 ILE A 56 4.980 -2.000 0.761 1.00 0.00 C ATOM 0 H ILE A 56 2.364 -0.548 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 56 5.142 0.419 -2.512 1.00 0.00 H new ATOM 0 HB ILE A 56 4.109 -2.341 -1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.687 -0.037 -0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.266 -1.061 -0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.385 -2.697 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.379 -2.269 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.829 -1.051 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.702 -1.682 1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.623 -3.015 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.065 -1.975 0.660 1.00 0.00 H new ATOM 847 N GLN A 57 5.157 -1.937 -4.344 1.00 0.00 N ATOM 848 CA GLN A 57 5.357 -2.466 -5.683 1.00 0.00 C ATOM 849 C GLN A 57 4.223 -3.425 -6.049 1.00 0.00 C ATOM 850 O GLN A 57 3.588 -4.006 -5.171 1.00 0.00 O ATOM 851 CB GLN A 57 6.718 -3.154 -5.803 1.00 0.00 C ATOM 852 CG GLN A 57 7.851 -2.126 -5.826 1.00 0.00 C ATOM 853 CD GLN A 57 7.704 -1.175 -7.016 1.00 0.00 C ATOM 854 OE1 GLN A 57 7.475 0.014 -6.868 1.00 0.00 O ATOM 855 NE2 GLN A 57 7.849 -1.763 -8.200 1.00 0.00 N ATOM 0 H GLN A 57 5.531 -2.519 -3.595 1.00 0.00 H new ATOM 0 HA GLN A 57 5.344 -1.634 -6.387 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.859 -3.838 -4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.748 -3.754 -6.713 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.848 -1.555 -4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.811 -2.639 -5.882 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.040 -2.764 -8.253 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.770 -1.213 -9.056 1.00 0.00 H new ATOM 864 N THR A 58 4.003 -3.562 -7.349 1.00 0.00 N ATOM 865 CA THR A 58 2.957 -4.441 -7.842 1.00 0.00 C ATOM 866 C THR A 58 3.302 -5.901 -7.543 1.00 0.00 C ATOM 867 O THR A 58 4.340 -6.398 -7.976 1.00 0.00 O ATOM 868 CB THR A 58 2.763 -4.156 -9.333 1.00 0.00 C ATOM 869 OG1 THR A 58 4.087 -3.964 -9.824 1.00 0.00 O ATOM 870 CG2 THR A 58 2.074 -2.814 -9.588 1.00 0.00 C ATOM 0 H THR A 58 4.532 -3.079 -8.075 1.00 0.00 H new ATOM 0 HA THR A 58 2.011 -4.253 -7.334 1.00 0.00 H new ATOM 0 HB THR A 58 2.176 -4.957 -9.782 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.663 -4.689 -9.504 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.961 -2.661 -10.661 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.092 -2.814 -9.116 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.678 -2.009 -9.169 1.00 0.00 H new ATOM 878 N THR A 59 2.411 -6.547 -6.805 1.00 0.00 N ATOM 879 CA THR A 59 2.609 -7.940 -6.443 1.00 0.00 C ATOM 880 C THR A 59 2.841 -8.789 -7.695 1.00 0.00 C ATOM 881 O THR A 59 3.966 -9.202 -7.969 1.00 0.00 O ATOM 882 CB THR A 59 1.401 -8.391 -5.619 1.00 0.00 C ATOM 883 OG1 THR A 59 1.725 -8.002 -4.287 1.00 0.00 O ATOM 884 CG2 THR A 59 1.278 -9.914 -5.544 1.00 0.00 C ATOM 0 H THR A 59 1.551 -6.131 -6.448 1.00 0.00 H new ATOM 0 HA THR A 59 3.503 -8.066 -5.832 1.00 0.00 H new ATOM 0 HB THR A 59 0.491 -7.975 -6.052 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.240 -8.571 -3.653 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.405 -10.180 -4.948 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.168 -10.320 -6.550 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.173 -10.329 -5.081 1.00 0.00 H new ATOM 892 N ASP A 60 1.758 -9.024 -8.421 1.00 0.00 N ATOM 893 CA ASP A 60 1.829 -9.816 -9.637 1.00 0.00 C ATOM 894 C ASP A 60 1.719 -8.891 -10.850 1.00 0.00 C ATOM 895 O ASP A 60 2.727 -8.386 -11.344 1.00 0.00 O ATOM 896 CB ASP A 60 0.680 -10.824 -9.706 1.00 0.00 C ATOM 897 CG ASP A 60 0.431 -11.427 -11.090 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.357 -12.103 -11.589 1.00 0.00 O ATOM 899 OD2 ASP A 60 -0.679 -11.199 -11.617 1.00 0.00 O ATOM 0 H ASP A 60 0.826 -8.680 -8.190 1.00 0.00 H new ATOM 0 HA ASP A 60 2.779 -10.351 -9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.884 -11.633 -9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.234 -10.334 -9.370 1.00 0.00 H new ATOM 904 N ASP A 61 0.487 -8.696 -11.296 1.00 0.00 N ATOM 905 CA ASP A 61 0.232 -7.840 -12.442 1.00 0.00 C ATOM 906 C ASP A 61 -0.640 -6.660 -12.009 1.00 0.00 C ATOM 907 O ASP A 61 -0.256 -5.504 -12.178 1.00 0.00 O ATOM 908 CB ASP A 61 -0.512 -8.599 -13.542 1.00 0.00 C ATOM 909 CG ASP A 61 0.288 -9.719 -14.210 1.00 0.00 C ATOM 910 OD1 ASP A 61 1.170 -10.276 -13.520 1.00 0.00 O ATOM 911 OD2 ASP A 61 0.001 -9.993 -15.395 1.00 0.00 O ATOM 0 H ASP A 61 -0.346 -9.116 -10.884 1.00 0.00 H new ATOM 0 HA ASP A 61 1.193 -7.498 -12.827 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.421 -9.026 -13.117 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.822 -7.888 -14.308 1.00 0.00 H new ATOM 916 N THR A 62 -1.798 -6.993 -11.458 1.00 0.00 N ATOM 917 CA THR A 62 -2.728 -5.976 -10.999 1.00 0.00 C ATOM 918 C THR A 62 -2.952 -6.099 -9.491 1.00 0.00 C ATOM 919 O THR A 62 -4.039 -6.469 -9.049 1.00 0.00 O ATOM 920 CB THR A 62 -4.015 -6.107 -11.817 1.00 0.00 C ATOM 921 OG1 THR A 62 -3.593 -6.727 -13.029 1.00 0.00 O ATOM 922 CG2 THR A 62 -4.566 -4.751 -12.264 1.00 0.00 C ATOM 0 H THR A 62 -2.113 -7.953 -11.319 1.00 0.00 H new ATOM 0 HA THR A 62 -2.327 -4.975 -11.156 1.00 0.00 H new ATOM 0 HB THR A 62 -4.769 -6.628 -11.227 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.366 -6.852 -13.619 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.479 -4.901 -12.840 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.786 -4.141 -11.388 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.826 -4.244 -12.883 1.00 0.00 H new ATOM 930 N LYS A 63 -1.906 -5.782 -8.741 1.00 0.00 N ATOM 931 CA LYS A 63 -1.975 -5.854 -7.292 1.00 0.00 C ATOM 932 C LYS A 63 -0.944 -4.897 -6.689 1.00 0.00 C ATOM 933 O LYS A 63 0.221 -4.905 -7.084 1.00 0.00 O ATOM 934 CB LYS A 63 -1.823 -7.300 -6.818 1.00 0.00 C ATOM 935 CG LYS A 63 -1.727 -7.371 -5.293 1.00 0.00 C ATOM 936 CD LYS A 63 -1.677 -8.823 -4.813 1.00 0.00 C ATOM 937 CE LYS A 63 -3.032 -9.262 -4.253 1.00 0.00 C ATOM 938 NZ LYS A 63 -3.611 -10.341 -5.085 1.00 0.00 N ATOM 0 H LYS A 63 -1.006 -5.475 -9.110 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.955 -5.531 -6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.674 -7.890 -7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.931 -7.740 -7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.835 -6.842 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.584 -6.866 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.393 -9.474 -5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.910 -8.930 -4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.913 -9.610 -3.227 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.713 -8.412 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.530 -10.627 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.743 -9.997 -6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.967 -11.158 -5.091 1.00 0.00 H new ATOM 952 N VAL A 64 -1.410 -4.096 -5.742 1.00 0.00 N ATOM 953 CA VAL A 64 -0.543 -3.136 -5.081 1.00 0.00 C ATOM 954 C VAL A 64 -0.509 -3.434 -3.581 1.00 0.00 C ATOM 955 O VAL A 64 -1.554 -3.575 -2.949 1.00 0.00 O ATOM 956 CB VAL A 64 -1.003 -1.711 -5.397 1.00 0.00 C ATOM 957 CG1 VAL A 64 -0.921 -1.429 -6.899 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.416 -1.461 -4.868 1.00 0.00 C ATOM 0 H VAL A 64 -2.377 -4.092 -5.417 1.00 0.00 H new ATOM 0 HA VAL A 64 0.478 -3.224 -5.453 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.329 -1.021 -4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.253 -0.410 -7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.109 -1.546 -7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.560 -2.130 -7.436 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.718 -0.441 -5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.108 -2.163 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.430 -1.601 -3.787 1.00 0.00 H new ATOM 968 N LEU A 65 0.704 -3.521 -3.055 1.00 0.00 N ATOM 969 CA LEU A 65 0.888 -3.801 -1.641 1.00 0.00 C ATOM 970 C LEU A 65 0.880 -2.485 -0.860 1.00 0.00 C ATOM 971 O LEU A 65 1.601 -1.549 -1.206 1.00 0.00 O ATOM 972 CB LEU A 65 2.149 -4.639 -1.420 1.00 0.00 C ATOM 973 CG LEU A 65 3.022 -4.237 -0.229 1.00 0.00 C ATOM 974 CD1 LEU A 65 2.315 -4.537 1.094 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.397 -4.902 -0.308 1.00 0.00 C ATOM 0 H LEU A 65 1.569 -3.403 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 65 0.062 -4.403 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.852 -5.680 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.757 -4.590 -2.323 1.00 0.00 H new ATOM 0 HG LEU A 65 3.183 -3.160 -0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.957 -4.242 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.380 -3.979 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.104 -5.604 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.997 -4.600 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.278 -5.985 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.897 -4.596 -1.227 1.00 0.00 H new ATOM 987 N CYS A 66 0.058 -2.454 0.178 1.00 0.00 N ATOM 988 CA CYS A 66 -0.053 -1.269 1.010 1.00 0.00 C ATOM 989 C CYS A 66 0.966 -1.381 2.146 1.00 0.00 C ATOM 990 O CYS A 66 1.374 -2.483 2.511 1.00 0.00 O ATOM 991 CB CYS A 66 -1.477 -1.079 1.538 1.00 0.00 C ATOM 992 SG CYS A 66 -1.438 -0.202 3.143 1.00 0.00 S ATOM 0 H CYS A 66 -0.538 -3.232 0.462 1.00 0.00 H new ATOM 0 HA CYS A 66 0.165 -0.383 0.414 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.068 -0.512 0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.962 -2.048 1.655 1.00 0.00 H new ATOM 0 HG CYS A 66 -0.860 0.953 2.993 1.00 0.00 H new ATOM 998 N ARG A 67 1.347 -0.227 2.673 1.00 0.00 N ATOM 999 CA ARG A 67 2.310 -0.182 3.760 1.00 0.00 C ATOM 1000 C ARG A 67 1.877 0.841 4.811 1.00 0.00 C ATOM 1001 O ARG A 67 1.477 1.953 4.472 1.00 0.00 O ATOM 1002 CB ARG A 67 3.704 0.184 3.245 1.00 0.00 C ATOM 1003 CG ARG A 67 4.787 -0.602 3.988 1.00 0.00 C ATOM 1004 CD ARG A 67 6.184 -0.142 3.568 1.00 0.00 C ATOM 1005 NE ARG A 67 6.519 1.135 4.237 1.00 0.00 N ATOM 1006 CZ ARG A 67 6.904 1.235 5.527 1.00 0.00 C ATOM 1007 NH1 ARG A 67 7.006 0.133 6.299 1.00 0.00 N ATOM 1008 NH2 ARG A 67 7.178 2.428 6.022 1.00 0.00 N ATOM 0 H ARG A 67 1.006 0.684 2.367 1.00 0.00 H new ATOM 0 HA ARG A 67 2.350 -1.174 4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.767 -0.024 2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.874 1.253 3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.665 -0.470 5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.674 -1.667 3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.920 -0.903 3.829 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.225 -0.017 2.486 1.00 0.00 H new ATOM 0 HE ARG A 67 6.455 1.993 3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.791 -0.785 5.909 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.298 0.218 7.273 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.097 3.256 5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.470 2.522 6.995 1.00 0.00 H new ATOM 1022 N ASN A 68 1.973 0.428 6.067 1.00 0.00 N ATOM 1023 CA ASN A 68 1.596 1.295 7.170 1.00 0.00 C ATOM 1024 C ASN A 68 2.793 1.472 8.106 1.00 0.00 C ATOM 1025 O ASN A 68 3.509 0.514 8.392 1.00 0.00 O ATOM 1026 CB ASN A 68 0.448 0.688 7.980 1.00 0.00 C ATOM 1027 CG ASN A 68 0.506 -0.841 7.953 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -0.014 -1.492 7.062 1.00 0.00 O ATOM 1029 ND2 ASN A 68 1.166 -1.375 8.976 1.00 0.00 N ATOM 0 H ASN A 68 2.306 -0.495 6.345 1.00 0.00 H new ATOM 0 HA ASN A 68 1.278 2.251 6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 68 0.500 1.039 9.011 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.506 1.026 7.576 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.261 -2.388 9.049 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.578 -0.772 9.688 1.00 0.00 H new ATOM 1036 N GLU A 69 2.974 2.705 8.557 1.00 0.00 N ATOM 1037 CA GLU A 69 4.072 3.020 9.454 1.00 0.00 C ATOM 1038 C GLU A 69 4.016 2.127 10.695 1.00 0.00 C ATOM 1039 O GLU A 69 4.960 2.093 11.483 1.00 0.00 O ATOM 1040 CB GLU A 69 4.056 4.500 9.842 1.00 0.00 C ATOM 1041 CG GLU A 69 5.407 5.157 9.554 1.00 0.00 C ATOM 1042 CD GLU A 69 6.537 4.434 10.291 1.00 0.00 C ATOM 1043 OE1 GLU A 69 6.465 4.392 11.538 1.00 0.00 O ATOM 1044 OE2 GLU A 69 7.446 3.941 9.590 1.00 0.00 O ATOM 0 H GLU A 69 2.378 3.498 8.318 1.00 0.00 H new ATOM 0 HA GLU A 69 5.009 2.826 8.932 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.271 5.016 9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.818 4.599 10.901 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.601 5.144 8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.379 6.203 9.860 1.00 0.00 H new ATOM 1051 N GLU A 70 2.901 1.425 10.831 1.00 0.00 N ATOM 1052 CA GLU A 70 2.709 0.534 11.962 1.00 0.00 C ATOM 1053 C GLU A 70 3.749 -0.588 11.936 1.00 0.00 C ATOM 1054 O GLU A 70 3.853 -1.365 12.884 1.00 0.00 O ATOM 1055 CB GLU A 70 1.289 -0.035 11.979 1.00 0.00 C ATOM 1056 CG GLU A 70 0.730 -0.072 13.402 1.00 0.00 C ATOM 1057 CD GLU A 70 0.564 1.342 13.964 1.00 0.00 C ATOM 1058 OE1 GLU A 70 -0.267 2.084 13.397 1.00 0.00 O ATOM 1059 OE2 GLU A 70 1.272 1.648 14.947 1.00 0.00 O ATOM 0 H GLU A 70 2.120 1.455 10.175 1.00 0.00 H new ATOM 0 HA GLU A 70 2.845 1.108 12.878 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.642 0.573 11.346 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.291 -1.041 11.559 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.233 -0.584 13.405 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.398 -0.646 14.044 1.00 0.00 H new ATOM 1066 N GLY A 71 4.493 -0.637 10.841 1.00 0.00 N ATOM 1067 CA GLY A 71 5.521 -1.651 10.679 1.00 0.00 C ATOM 1068 C GLY A 71 4.935 -2.937 10.094 1.00 0.00 C ATOM 1069 O GLY A 71 5.603 -3.970 10.062 1.00 0.00 O ATOM 0 H GLY A 71 4.404 0.009 10.057 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.308 -1.275 10.025 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.983 -1.863 11.643 1.00 0.00 H new ATOM 1073 N LYS A 72 3.692 -2.833 9.646 1.00 0.00 N ATOM 1074 CA LYS A 72 3.008 -3.976 9.064 1.00 0.00 C ATOM 1075 C LYS A 72 2.616 -3.649 7.622 1.00 0.00 C ATOM 1076 O LYS A 72 2.487 -2.481 7.259 1.00 0.00 O ATOM 1077 CB LYS A 72 1.829 -4.398 9.942 1.00 0.00 C ATOM 1078 CG LYS A 72 0.673 -4.927 9.090 1.00 0.00 C ATOM 1079 CD LYS A 72 -0.455 -5.467 9.971 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.444 -4.359 10.337 1.00 0.00 C ATOM 1081 NZ LYS A 72 -0.953 -3.589 11.502 1.00 0.00 N ATOM 0 H LYS A 72 3.141 -1.975 9.674 1.00 0.00 H new ATOM 0 HA LYS A 72 3.672 -4.840 9.026 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.151 -5.168 10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.490 -3.548 10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.291 -4.129 8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.034 -5.716 8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.978 -6.268 9.448 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.036 -5.900 10.879 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.584 -3.692 9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.417 -4.793 10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.762 -3.268 12.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.338 -4.193 12.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.414 -2.764 11.170 1.00 0.00 H new ATOM 1095 N TYR A 73 2.436 -4.702 6.839 1.00 0.00 N ATOM 1096 CA TYR A 73 2.060 -4.542 5.444 1.00 0.00 C ATOM 1097 C TYR A 73 0.765 -5.296 5.135 1.00 0.00 C ATOM 1098 O TYR A 73 0.307 -6.105 5.940 1.00 0.00 O ATOM 1099 CB TYR A 73 3.200 -5.155 4.628 1.00 0.00 C ATOM 1100 CG TYR A 73 4.522 -4.391 4.733 1.00 0.00 C ATOM 1101 CD1 TYR A 73 5.133 -4.236 5.960 1.00 0.00 C ATOM 1102 CD2 TYR A 73 5.102 -3.858 3.600 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.377 -3.517 6.059 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.346 -3.139 3.699 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.922 -3.004 4.923 1.00 0.00 C ATOM 1106 OH TYR A 73 8.097 -2.325 5.017 1.00 0.00 O ATOM 0 H TYR A 73 2.543 -5.670 7.144 1.00 0.00 H new ATOM 0 HA TYR A 73 1.895 -3.491 5.209 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.358 -6.182 4.958 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.900 -5.200 3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.679 -4.654 6.846 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.623 -3.980 2.640 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.866 -3.388 7.013 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.811 -2.717 2.820 1.00 0.00 H new ATOM 0 HH TYR A 73 8.840 -2.962 5.069 1.00 0.00 H new ATOM 1116 N GLY A 74 0.212 -5.002 3.968 1.00 0.00 N ATOM 1117 CA GLY A 74 -1.022 -5.642 3.542 1.00 0.00 C ATOM 1118 C GLY A 74 -1.165 -5.598 2.020 1.00 0.00 C ATOM 1119 O GLY A 74 -0.556 -4.759 1.359 1.00 0.00 O ATOM 0 H GLY A 74 0.595 -4.329 3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.035 -6.677 3.882 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.873 -5.143 4.005 1.00 0.00 H new ATOM 1123 N TYR A 75 -1.975 -6.513 1.507 1.00 0.00 N ATOM 1124 CA TYR A 75 -2.207 -6.590 0.075 1.00 0.00 C ATOM 1125 C TYR A 75 -3.581 -6.025 -0.289 1.00 0.00 C ATOM 1126 O TYR A 75 -4.497 -6.033 0.532 1.00 0.00 O ATOM 1127 CB TYR A 75 -2.170 -8.077 -0.279 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.770 -8.608 -0.592 1.00 0.00 C ATOM 1129 CD1 TYR A 75 0.107 -7.845 -1.338 1.00 0.00 C ATOM 1130 CD2 TYR A 75 -0.383 -9.849 -0.130 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.425 -8.345 -1.633 1.00 0.00 C ATOM 1132 CE2 TYR A 75 0.936 -10.349 -0.425 1.00 0.00 C ATOM 1133 CZ TYR A 75 1.774 -9.572 -1.161 1.00 0.00 C ATOM 1134 OH TYR A 75 3.019 -10.044 -1.440 1.00 0.00 O ATOM 0 H TYR A 75 -2.479 -7.208 2.058 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.458 -6.013 -0.467 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.587 -8.648 0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.814 -8.251 -1.141 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.196 -6.874 -1.700 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.069 -10.446 0.453 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.120 -7.759 -2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.251 -11.319 -0.069 1.00 0.00 H new ATOM 0 HH TYR A 75 3.666 -9.648 -0.819 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.682 -5.547 -1.521 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.929 -4.980 -2.004 1.00 0.00 C ATOM 1146 C VAL A 76 -5.119 -5.354 -3.476 1.00 0.00 C ATOM 1147 O VAL A 76 -4.241 -5.106 -4.301 1.00 0.00 O ATOM 1148 CB VAL A 76 -4.943 -3.468 -1.765 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -6.372 -2.922 -1.794 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -4.248 -3.115 -0.449 1.00 0.00 C ATOM 0 H VAL A 76 -2.920 -5.541 -2.199 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.774 -5.391 -1.453 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.387 -2.995 -2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.354 -1.846 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.820 -3.126 -2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.962 -3.404 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.272 -2.035 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.764 -3.604 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.213 -3.454 -0.482 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.270 -5.945 -3.759 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.586 -6.357 -5.116 1.00 0.00 C ATOM 1162 C LEU A 77 -7.015 -5.133 -5.928 1.00 0.00 C ATOM 1163 O LEU A 77 -7.724 -4.265 -5.422 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.621 -7.483 -5.108 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.427 -8.580 -6.156 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -8.740 -9.317 -6.428 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -6.812 -8.013 -7.437 1.00 0.00 C ATOM 0 H LEU A 77 -6.996 -6.149 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.704 -6.771 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.617 -7.946 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.608 -7.043 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.724 -9.311 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.574 -10.092 -7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.098 -9.774 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.484 -8.611 -6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.685 -8.814 -8.165 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.471 -7.249 -7.850 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.842 -7.572 -7.210 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.568 -5.103 -7.175 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.897 -4.000 -8.062 1.00 0.00 C ATOM 1181 C ARG A 78 -8.415 -3.856 -8.189 1.00 0.00 C ATOM 1182 O ARG A 78 -8.911 -2.798 -8.574 1.00 0.00 O ATOM 1183 CB ARG A 78 -6.293 -4.212 -9.452 1.00 0.00 C ATOM 1184 CG ARG A 78 -7.132 -5.196 -10.269 1.00 0.00 C ATOM 1185 CD ARG A 78 -7.804 -4.495 -11.452 1.00 0.00 C ATOM 1186 NE ARG A 78 -8.517 -3.286 -10.984 1.00 0.00 N ATOM 1187 CZ ARG A 78 -8.028 -2.031 -11.084 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -6.816 -1.811 -11.637 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -8.752 -1.024 -10.633 1.00 0.00 N ATOM 0 H ARG A 78 -5.981 -5.825 -7.592 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.477 -3.091 -7.631 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.232 -3.258 -9.976 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.275 -4.589 -9.357 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.498 -6.004 -10.633 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.891 -5.649 -9.631 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.056 -4.221 -12.196 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.504 -5.175 -11.939 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.436 -3.408 -10.559 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.263 -2.595 -11.983 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.453 -0.860 -11.709 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.666 -1.200 -10.216 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.397 -0.070 -10.701 1.00 0.00 H new ATOM 1203 N SER A 79 -9.109 -4.934 -7.857 1.00 0.00 N ATOM 1204 CA SER A 79 -10.561 -4.941 -7.929 1.00 0.00 C ATOM 1205 C SER A 79 -11.126 -3.715 -7.208 1.00 0.00 C ATOM 1206 O SER A 79 -11.821 -2.901 -7.814 1.00 0.00 O ATOM 1207 CB SER A 79 -11.136 -6.223 -7.326 1.00 0.00 C ATOM 1208 OG SER A 79 -12.543 -6.132 -7.119 1.00 0.00 O ATOM 0 H SER A 79 -8.694 -5.809 -7.537 1.00 0.00 H new ATOM 0 HA SER A 79 -10.852 -4.904 -8.979 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.920 -7.063 -7.987 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.643 -6.430 -6.376 1.00 0.00 H new ATOM 0 HG SER A 79 -12.872 -6.971 -6.734 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.806 -3.623 -5.926 1.00 0.00 N ATOM 1215 CA TYR A 80 -11.274 -2.510 -5.116 1.00 0.00 C ATOM 1216 C TYR A 80 -10.100 -1.674 -4.603 1.00 0.00 C ATOM 1217 O TYR A 80 -9.637 -1.871 -3.480 1.00 0.00 O ATOM 1218 CB TYR A 80 -12.001 -3.133 -3.923 1.00 0.00 C ATOM 1219 CG TYR A 80 -11.237 -4.279 -3.258 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -10.250 -4.005 -2.332 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.533 -5.587 -3.583 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.531 -5.084 -1.706 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.814 -6.666 -2.957 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.848 -6.361 -2.049 1.00 0.00 C ATOM 1225 OH TYR A 80 -9.168 -7.380 -1.458 1.00 0.00 O ATOM 0 H TYR A 80 -10.229 -4.300 -5.428 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.918 -1.853 -5.701 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -12.191 -2.358 -3.181 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -12.972 -3.501 -4.254 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.017 -2.982 -2.077 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.305 -5.802 -4.308 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.757 -4.883 -0.980 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.036 -7.694 -3.203 1.00 0.00 H new ATOM 0 HH TYR A 80 -8.736 -7.054 -0.641 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.651 -0.760 -5.450 1.00 0.00 N ATOM 1236 CA LEU A 81 -8.540 0.107 -5.096 1.00 0.00 C ATOM 1237 C LEU A 81 -8.450 1.253 -6.106 1.00 0.00 C ATOM 1238 O LEU A 81 -9.195 1.282 -7.084 1.00 0.00 O ATOM 1239 CB LEU A 81 -7.248 -0.703 -4.969 1.00 0.00 C ATOM 1240 CG LEU A 81 -6.010 -0.101 -5.638 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -5.286 0.856 -4.690 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -5.083 -1.199 -6.164 1.00 0.00 C ATOM 0 H LEU A 81 -10.036 -0.601 -6.381 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.705 0.557 -4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.033 -0.842 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.420 -1.693 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.336 0.484 -6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.410 1.270 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.959 1.666 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.972 0.316 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.211 -0.745 -6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.761 -1.830 -5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.616 -1.805 -6.896 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.532 2.169 -5.834 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.336 3.314 -6.707 1.00 0.00 C ATOM 1256 C ALA A 82 -6.515 2.886 -7.925 1.00 0.00 C ATOM 1257 O ALA A 82 -6.017 1.763 -7.979 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.669 4.445 -5.922 1.00 0.00 C ATOM 0 H ALA A 82 -6.916 2.142 -5.022 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.293 3.689 -7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.522 5.304 -6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.305 4.731 -5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.704 4.106 -5.545 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.400 3.805 -8.873 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.649 3.537 -10.087 1.00 0.00 C ATOM 1266 C ASP A 83 -4.207 3.178 -9.721 1.00 0.00 C ATOM 1267 O ASP A 83 -3.805 3.310 -8.566 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.613 4.767 -10.996 1.00 0.00 C ATOM 1269 CG ASP A 83 -5.469 6.105 -10.267 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -6.366 6.406 -9.451 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -4.464 6.796 -10.543 1.00 0.00 O ATOM 0 H ASP A 83 -6.814 4.736 -8.824 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.138 2.716 -10.611 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.783 4.660 -11.695 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.528 4.790 -11.588 1.00 0.00 H new TER 1276 ASP A 83