USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=21 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.113) 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= -0.468 USER MOD Single : A 27 TYR OH : rot 42:sc= -0.399 USER MOD Single : A 28 SER OG : rot 31:sc= 0.388 USER MOD Single : A 29 THR OG1 : rot 144:sc= -1.1 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -22:sc= 0.215 USER MOD Single : A 34 SER OG : rot 20:sc= 0.928 USER MOD Single : A 36 THR OG1 : rot -158:sc= -0.442! USER MOD Single : A 37 SER OG : rot 180:sc= -1.27 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.882 K(o=-0.88,f=-0.081) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc=-0.00385 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 46:sc= 0.152 USER MOD Single : A 59 THR OG1 : rot -151:sc= 0.4 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -155:sc= -0.4 (180deg=-1.35) USER MOD Single : A 66 CYS SG : rot 61:sc= -11! USER MOD Single : A 68 ASN : amide:sc= -0.0858 K(o=-0.086,f=-1.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 70:sc= -3.71! USER MOD Single : A 75 TYR OH : rot 102:sc= 1.26 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 24:sc= 0.341 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 5.190 -4.839 16.163 1.00 0.00 N ATOM 2 CA GLU A 7 5.771 -4.878 14.832 1.00 0.00 C ATOM 3 C GLU A 7 6.003 -6.327 14.396 1.00 0.00 C ATOM 4 O GLU A 7 6.972 -6.621 13.698 1.00 0.00 O ATOM 5 CB GLU A 7 7.072 -4.075 14.777 1.00 0.00 C ATOM 6 CG GLU A 7 8.193 -4.794 15.530 1.00 0.00 C ATOM 7 CD GLU A 7 9.567 -4.346 15.027 1.00 0.00 C ATOM 8 OE1 GLU A 7 9.921 -4.756 13.901 1.00 0.00 O ATOM 9 OE2 GLU A 7 10.232 -3.603 15.781 1.00 0.00 O ATOM 0 HA GLU A 7 5.069 -4.417 14.137 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.366 -3.923 13.738 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.913 -3.088 15.211 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.108 -4.590 16.597 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.089 -5.871 15.402 1.00 0.00 H new ATOM 16 N LYS A 8 5.097 -7.192 14.826 1.00 0.00 N ATOM 17 CA LYS A 8 5.190 -8.603 14.489 1.00 0.00 C ATOM 18 C LYS A 8 4.598 -8.830 13.096 1.00 0.00 C ATOM 19 O LYS A 8 4.821 -9.875 12.487 1.00 0.00 O ATOM 20 CB LYS A 8 4.543 -9.458 15.580 1.00 0.00 C ATOM 21 CG LYS A 8 5.101 -10.883 15.563 1.00 0.00 C ATOM 22 CD LYS A 8 5.696 -11.255 16.922 1.00 0.00 C ATOM 23 CE LYS A 8 4.594 -11.582 17.932 1.00 0.00 C ATOM 24 NZ LYS A 8 5.109 -11.473 19.315 1.00 0.00 N ATOM 0 H LYS A 8 4.295 -6.944 15.405 1.00 0.00 H new ATOM 0 HA LYS A 8 6.233 -8.917 14.447 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.721 -9.005 16.555 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.463 -9.485 15.434 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.308 -11.585 15.305 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.866 -10.969 14.791 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.358 -12.113 16.810 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.303 -10.430 17.295 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.754 -10.901 17.796 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.219 -12.590 17.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.348 -11.698 19.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.896 -12.140 19.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.445 -10.504 19.485 1.00 0.00 H new ATOM 38 N GLU A 9 3.855 -7.835 12.634 1.00 0.00 N ATOM 39 CA GLU A 9 3.230 -7.914 11.325 1.00 0.00 C ATOM 40 C GLU A 9 4.295 -8.033 10.234 1.00 0.00 C ATOM 41 O GLU A 9 4.077 -8.691 9.218 1.00 0.00 O ATOM 42 CB GLU A 9 2.324 -6.706 11.077 1.00 0.00 C ATOM 43 CG GLU A 9 1.157 -7.076 10.159 1.00 0.00 C ATOM 44 CD GLU A 9 0.373 -8.264 10.720 1.00 0.00 C ATOM 45 OE1 GLU A 9 -0.548 -8.008 11.525 1.00 0.00 O ATOM 46 OE2 GLU A 9 0.712 -9.402 10.329 1.00 0.00 O ATOM 0 H GLU A 9 3.672 -6.970 13.143 1.00 0.00 H new ATOM 0 HA GLU A 9 2.606 -8.808 11.295 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.940 -6.333 12.027 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.903 -5.899 10.628 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.493 -6.219 10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.534 -7.321 9.166 1.00 0.00 H new ATOM 53 N GLU A 10 5.425 -7.387 10.481 1.00 0.00 N ATOM 54 CA GLU A 10 6.525 -7.413 9.532 1.00 0.00 C ATOM 55 C GLU A 10 7.034 -8.844 9.348 1.00 0.00 C ATOM 56 O GLU A 10 7.317 -9.267 8.228 1.00 0.00 O ATOM 57 CB GLU A 10 7.655 -6.483 9.978 1.00 0.00 C ATOM 58 CG GLU A 10 8.949 -6.792 9.222 1.00 0.00 C ATOM 59 CD GLU A 10 8.801 -6.484 7.731 1.00 0.00 C ATOM 60 OE1 GLU A 10 8.097 -7.267 7.057 1.00 0.00 O ATOM 61 OE2 GLU A 10 9.394 -5.472 7.299 1.00 0.00 O ATOM 0 H GLU A 10 5.603 -6.842 11.325 1.00 0.00 H new ATOM 0 HA GLU A 10 6.159 -7.052 8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.367 -5.446 9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.820 -6.593 11.050 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.767 -6.204 9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.210 -7.842 9.356 1.00 0.00 H new ATOM 68 N LYS A 11 7.134 -9.551 10.464 1.00 0.00 N ATOM 69 CA LYS A 11 7.603 -10.926 10.439 1.00 0.00 C ATOM 70 C LYS A 11 6.535 -11.814 9.798 1.00 0.00 C ATOM 71 O LYS A 11 6.856 -12.734 9.048 1.00 0.00 O ATOM 72 CB LYS A 11 8.016 -11.376 11.842 1.00 0.00 C ATOM 73 CG LYS A 11 9.389 -10.814 12.216 1.00 0.00 C ATOM 74 CD LYS A 11 9.253 -9.496 12.980 1.00 0.00 C ATOM 75 CE LYS A 11 10.179 -9.469 14.198 1.00 0.00 C ATOM 76 NZ LYS A 11 9.409 -9.704 15.440 1.00 0.00 N ATOM 0 H LYS A 11 6.898 -9.197 11.391 1.00 0.00 H new ATOM 0 HA LYS A 11 8.499 -11.012 9.824 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.273 -11.044 12.568 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.040 -12.465 11.886 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.928 -11.538 12.827 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.979 -10.656 11.313 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.491 -8.662 12.319 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.220 -9.363 13.301 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.951 -10.231 14.092 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.687 -8.506 14.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.052 -9.682 16.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.688 -8.962 15.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.944 -10.633 15.390 1.00 0.00 H new ATOM 90 N ASP A 12 5.286 -11.506 10.117 1.00 0.00 N ATOM 91 CA ASP A 12 4.169 -12.265 9.582 1.00 0.00 C ATOM 92 C ASP A 12 4.009 -11.948 8.093 1.00 0.00 C ATOM 93 O ASP A 12 3.600 -12.806 7.313 1.00 0.00 O ATOM 94 CB ASP A 12 2.863 -11.893 10.287 1.00 0.00 C ATOM 95 CG ASP A 12 1.692 -12.842 10.022 1.00 0.00 C ATOM 96 OD1 ASP A 12 1.127 -12.750 8.910 1.00 0.00 O ATOM 97 OD2 ASP A 12 1.388 -13.638 10.937 1.00 0.00 O ATOM 0 H ASP A 12 5.024 -10.741 10.739 1.00 0.00 H new ATOM 0 HA ASP A 12 4.375 -13.324 9.738 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.045 -11.856 11.361 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.574 -10.888 9.978 1.00 0.00 H new ATOM 102 N PHE A 13 4.341 -10.713 7.745 1.00 0.00 N ATOM 103 CA PHE A 13 4.239 -10.272 6.364 1.00 0.00 C ATOM 104 C PHE A 13 5.220 -11.036 5.472 1.00 0.00 C ATOM 105 O PHE A 13 4.827 -11.597 4.450 1.00 0.00 O ATOM 106 CB PHE A 13 4.599 -8.785 6.342 1.00 0.00 C ATOM 107 CG PHE A 13 4.950 -8.251 4.952 1.00 0.00 C ATOM 108 CD1 PHE A 13 3.964 -7.827 4.117 1.00 0.00 C ATOM 109 CD2 PHE A 13 6.249 -8.200 4.552 1.00 0.00 C ATOM 110 CE1 PHE A 13 4.290 -7.331 2.827 1.00 0.00 C ATOM 111 CE2 PHE A 13 6.575 -7.704 3.262 1.00 0.00 C ATOM 112 CZ PHE A 13 5.589 -7.280 2.427 1.00 0.00 C ATOM 0 H PHE A 13 4.681 -10.004 8.395 1.00 0.00 H new ATOM 0 HA PHE A 13 3.232 -10.452 5.988 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.761 -8.213 6.739 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.444 -8.616 7.009 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.933 -7.868 4.435 1.00 0.00 H new ATOM 0 HD2 PHE A 13 7.032 -8.537 5.215 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.507 -6.994 2.164 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.606 -7.663 2.944 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.837 -6.903 1.446 1.00 0.00 H new ATOM 122 N ARG A 14 6.477 -11.031 5.890 1.00 0.00 N ATOM 123 CA ARG A 14 7.517 -11.716 5.141 1.00 0.00 C ATOM 124 C ARG A 14 7.191 -13.206 5.021 1.00 0.00 C ATOM 125 O ARG A 14 7.573 -13.853 4.047 1.00 0.00 O ATOM 126 CB ARG A 14 8.881 -11.552 5.816 1.00 0.00 C ATOM 127 CG ARG A 14 9.818 -12.704 5.446 1.00 0.00 C ATOM 128 CD ARG A 14 11.264 -12.376 5.821 1.00 0.00 C ATOM 129 NE ARG A 14 11.635 -13.076 7.071 1.00 0.00 N ATOM 130 CZ ARG A 14 12.900 -13.400 7.410 1.00 0.00 C ATOM 131 NH1 ARG A 14 13.930 -13.088 6.595 1.00 0.00 N ATOM 132 NH2 ARG A 14 13.116 -14.026 8.552 1.00 0.00 N ATOM 0 H ARG A 14 6.799 -10.564 6.738 1.00 0.00 H new ATOM 0 HA ARG A 14 7.560 -11.269 4.148 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.328 -10.604 5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.753 -11.515 6.898 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.503 -13.613 5.959 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.752 -12.902 4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.934 -12.675 5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.380 -11.300 5.949 1.00 0.00 H new ATOM 0 HE ARG A 14 10.887 -13.329 7.717 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.755 -12.603 5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 14 14.883 -13.337 6.860 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.333 -14.257 9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.066 -14.278 8.824 1.00 0.00 H new ATOM 146 N LYS A 15 6.489 -13.708 6.026 1.00 0.00 N ATOM 147 CA LYS A 15 6.107 -15.110 6.046 1.00 0.00 C ATOM 148 C LYS A 15 5.377 -15.454 4.745 1.00 0.00 C ATOM 149 O LYS A 15 5.809 -16.332 4.000 1.00 0.00 O ATOM 150 CB LYS A 15 5.300 -15.429 7.306 1.00 0.00 C ATOM 151 CG LYS A 15 4.255 -16.512 7.029 1.00 0.00 C ATOM 152 CD LYS A 15 2.885 -15.892 6.746 1.00 0.00 C ATOM 153 CE LYS A 15 1.907 -16.180 7.886 1.00 0.00 C ATOM 154 NZ LYS A 15 1.549 -17.616 7.912 1.00 0.00 N ATOM 0 H LYS A 15 6.175 -13.169 6.833 1.00 0.00 H new ATOM 0 HA LYS A 15 6.992 -15.744 6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.972 -15.761 8.098 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.806 -14.526 7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.568 -17.115 6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.185 -17.182 7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.989 -14.815 6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.488 -16.290 5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.354 -15.893 8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.007 -15.577 7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.662 -17.743 8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.426 -17.961 6.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.308 -18.155 8.376 1.00 0.00 H new ATOM 168 N LYS A 16 4.283 -14.743 4.513 1.00 0.00 N ATOM 169 CA LYS A 16 3.490 -14.962 3.315 1.00 0.00 C ATOM 170 C LYS A 16 4.084 -14.154 2.160 1.00 0.00 C ATOM 171 O LYS A 16 4.038 -14.584 1.009 1.00 0.00 O ATOM 172 CB LYS A 16 2.015 -14.655 3.587 1.00 0.00 C ATOM 173 CG LYS A 16 1.108 -15.441 2.637 1.00 0.00 C ATOM 174 CD LYS A 16 1.166 -16.939 2.939 1.00 0.00 C ATOM 175 CE LYS A 16 -0.096 -17.400 3.671 1.00 0.00 C ATOM 176 NZ LYS A 16 -1.036 -18.046 2.728 1.00 0.00 N ATOM 0 H LYS A 16 3.927 -14.016 5.133 1.00 0.00 H new ATOM 0 HA LYS A 16 3.525 -16.011 3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.772 -14.906 4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.834 -13.587 3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.082 -15.087 2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.413 -15.262 1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.276 -17.497 2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.044 -17.157 3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.171 -18.099 4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.579 -16.547 4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.887 -18.353 3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.305 -17.368 1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.578 -18.872 2.292 1.00 0.00 H new ATOM 190 N PHE A 17 4.628 -12.997 2.508 1.00 0.00 N ATOM 191 CA PHE A 17 5.230 -12.125 1.514 1.00 0.00 C ATOM 192 C PHE A 17 6.704 -12.476 1.297 1.00 0.00 C ATOM 193 O PHE A 17 7.501 -11.618 0.920 1.00 0.00 O ATOM 194 CB PHE A 17 5.133 -10.697 2.055 1.00 0.00 C ATOM 195 CG PHE A 17 3.725 -10.101 1.989 1.00 0.00 C ATOM 196 CD1 PHE A 17 2.738 -10.599 2.782 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.460 -9.074 1.137 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.432 -10.046 2.720 1.00 0.00 C ATOM 199 CE2 PHE A 17 2.154 -8.521 1.076 1.00 0.00 C ATOM 200 CZ PHE A 17 1.167 -9.019 1.869 1.00 0.00 C ATOM 0 H PHE A 17 4.664 -12.643 3.464 1.00 0.00 H new ATOM 0 HA PHE A 17 4.714 -12.235 0.560 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.472 -10.688 3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.813 -10.059 1.491 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.948 -11.415 3.458 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.243 -8.679 0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.648 -10.441 3.349 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.944 -7.705 0.400 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.173 -8.599 1.823 1.00 0.00 H new ATOM 210 N LYS A 18 7.021 -13.738 1.546 1.00 0.00 N ATOM 211 CA LYS A 18 8.384 -14.213 1.383 1.00 0.00 C ATOM 212 C LYS A 18 9.029 -13.499 0.193 1.00 0.00 C ATOM 213 O LYS A 18 10.136 -13.846 -0.218 1.00 0.00 O ATOM 214 CB LYS A 18 8.410 -15.739 1.272 1.00 0.00 C ATOM 215 CG LYS A 18 9.603 -16.323 2.032 1.00 0.00 C ATOM 216 CD LYS A 18 10.760 -16.635 1.081 1.00 0.00 C ATOM 217 CE LYS A 18 12.056 -15.979 1.560 1.00 0.00 C ATOM 218 NZ LYS A 18 13.079 -16.011 0.491 1.00 0.00 N ATOM 0 H LYS A 18 6.357 -14.446 1.859 1.00 0.00 H new ATOM 0 HA LYS A 18 8.980 -13.970 2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.483 -16.152 1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.464 -16.030 0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.934 -15.617 2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.299 -17.232 2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.898 -17.714 1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.518 -16.281 0.079 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.861 -14.948 1.854 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.428 -16.498 2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.952 -15.562 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.277 -16.998 0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.728 -15.496 -0.341 1.00 0.00 H new ATOM 232 N TYR A 19 8.310 -12.516 -0.327 1.00 0.00 N ATOM 233 CA TYR A 19 8.799 -11.750 -1.462 1.00 0.00 C ATOM 234 C TYR A 19 10.052 -10.956 -1.088 1.00 0.00 C ATOM 235 O TYR A 19 10.027 -10.151 -0.159 1.00 0.00 O ATOM 236 CB TYR A 19 7.679 -10.773 -1.824 1.00 0.00 C ATOM 237 CG TYR A 19 8.176 -9.397 -2.273 1.00 0.00 C ATOM 238 CD1 TYR A 19 8.994 -9.286 -3.379 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.805 -8.267 -1.572 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.461 -7.991 -3.802 1.00 0.00 C ATOM 241 CE2 TYR A 19 8.273 -6.972 -1.995 1.00 0.00 C ATOM 242 CZ TYR A 19 9.077 -6.898 -3.089 1.00 0.00 C ATOM 243 OH TYR A 19 9.519 -5.675 -3.488 1.00 0.00 O ATOM 0 H TYR A 19 7.392 -12.232 0.016 1.00 0.00 H new ATOM 0 HA TYR A 19 9.060 -12.411 -2.288 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.075 -11.208 -2.620 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.026 -10.648 -0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.284 -10.170 -3.927 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.164 -8.354 -0.707 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.102 -7.890 -4.666 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.992 -6.080 -1.455 1.00 0.00 H new ATOM 0 HH TYR A 19 9.165 -4.987 -2.887 1.00 0.00 H new ATOM 253 N ASP A 20 11.118 -11.211 -1.832 1.00 0.00 N ATOM 254 CA ASP A 20 12.379 -10.530 -1.591 1.00 0.00 C ATOM 255 C ASP A 20 12.550 -9.405 -2.614 1.00 0.00 C ATOM 256 O ASP A 20 12.977 -9.647 -3.742 1.00 0.00 O ATOM 257 CB ASP A 20 13.561 -11.489 -1.742 1.00 0.00 C ATOM 258 CG ASP A 20 14.931 -10.816 -1.844 1.00 0.00 C ATOM 259 OD1 ASP A 20 15.278 -10.404 -2.972 1.00 0.00 O ATOM 260 OD2 ASP A 20 15.601 -10.729 -0.792 1.00 0.00 O ATOM 0 H ASP A 20 11.135 -11.880 -2.602 1.00 0.00 H new ATOM 0 HA ASP A 20 12.361 -10.137 -0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.569 -12.168 -0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.404 -12.097 -2.633 1.00 0.00 H new ATOM 265 N GLY A 21 12.208 -8.200 -2.183 1.00 0.00 N ATOM 266 CA GLY A 21 12.318 -7.037 -3.048 1.00 0.00 C ATOM 267 C GLY A 21 12.636 -5.779 -2.237 1.00 0.00 C ATOM 268 O GLY A 21 12.948 -5.864 -1.050 1.00 0.00 O ATOM 0 H GLY A 21 11.855 -8.003 -1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.100 -7.203 -3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.385 -6.896 -3.594 1.00 0.00 H new ATOM 272 N GLU A 22 12.547 -4.641 -2.910 1.00 0.00 N ATOM 273 CA GLU A 22 12.821 -3.368 -2.267 1.00 0.00 C ATOM 274 C GLU A 22 11.513 -2.649 -1.931 1.00 0.00 C ATOM 275 O GLU A 22 10.970 -1.921 -2.761 1.00 0.00 O ATOM 276 CB GLU A 22 13.718 -2.492 -3.144 1.00 0.00 C ATOM 277 CG GLU A 22 14.024 -1.160 -2.458 1.00 0.00 C ATOM 278 CD GLU A 22 14.909 -0.278 -3.342 1.00 0.00 C ATOM 279 OE1 GLU A 22 14.684 -0.301 -4.572 1.00 0.00 O ATOM 280 OE2 GLU A 22 15.789 0.399 -2.769 1.00 0.00 O ATOM 0 H GLU A 22 12.289 -4.575 -3.895 1.00 0.00 H new ATOM 0 HA GLU A 22 13.355 -3.562 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.649 -3.017 -3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.229 -2.308 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.093 -0.639 -2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.522 -1.343 -1.506 1.00 0.00 H new ATOM 287 N ILE A 23 11.044 -2.879 -0.714 1.00 0.00 N ATOM 288 CA ILE A 23 9.809 -2.263 -0.258 1.00 0.00 C ATOM 289 C ILE A 23 10.013 -0.752 -0.136 1.00 0.00 C ATOM 290 O ILE A 23 10.712 -0.287 0.763 1.00 0.00 O ATOM 291 CB ILE A 23 9.325 -2.924 1.033 1.00 0.00 C ATOM 292 CG1 ILE A 23 8.018 -3.686 0.803 1.00 0.00 C ATOM 293 CG2 ILE A 23 9.199 -1.898 2.161 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.804 -4.748 1.884 1.00 0.00 C ATOM 0 H ILE A 23 11.497 -3.484 -0.029 1.00 0.00 H new ATOM 0 HA ILE A 23 9.014 -2.420 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 23 10.073 -3.654 1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.181 -2.988 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.037 -4.160 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.853 -2.395 3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.171 -1.440 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.483 -1.128 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.868 -5.275 1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.630 -5.459 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.761 -4.268 2.862 1.00 0.00 H new ATOM 306 N ARG A 24 9.391 -0.026 -1.054 1.00 0.00 N ATOM 307 CA ARG A 24 9.495 1.423 -1.060 1.00 0.00 C ATOM 308 C ARG A 24 8.273 2.040 -1.743 1.00 0.00 C ATOM 309 O ARG A 24 8.039 1.812 -2.929 1.00 0.00 O ATOM 310 CB ARG A 24 10.762 1.880 -1.786 1.00 0.00 C ATOM 311 CG ARG A 24 10.874 3.406 -1.784 1.00 0.00 C ATOM 312 CD ARG A 24 11.324 3.921 -0.415 1.00 0.00 C ATOM 313 NE ARG A 24 10.866 5.316 -0.224 1.00 0.00 N ATOM 314 CZ ARG A 24 10.919 5.975 0.953 1.00 0.00 C ATOM 315 NH1 ARG A 24 11.411 5.370 2.056 1.00 0.00 N ATOM 316 NH2 ARG A 24 10.483 7.219 1.010 1.00 0.00 N ATOM 0 H ARG A 24 8.813 -0.415 -1.799 1.00 0.00 H new ATOM 0 HA ARG A 24 9.543 1.757 -0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.638 1.447 -1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.749 1.514 -2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.585 3.723 -2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.911 3.845 -2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.920 3.286 0.373 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.410 3.872 -0.338 1.00 0.00 H new ATOM 0 HE ARG A 24 10.487 5.810 -1.032 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.746 4.408 2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.447 5.875 2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.113 7.669 0.173 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.516 7.731 1.892 1.00 0.00 H new ATOM 330 N VAL A 25 7.526 2.810 -0.965 1.00 0.00 N ATOM 331 CA VAL A 25 6.334 3.462 -1.481 1.00 0.00 C ATOM 332 C VAL A 25 6.739 4.507 -2.522 1.00 0.00 C ATOM 333 O VAL A 25 7.158 5.609 -2.169 1.00 0.00 O ATOM 334 CB VAL A 25 5.520 4.051 -0.327 1.00 0.00 C ATOM 335 CG1 VAL A 25 6.369 5.010 0.509 1.00 0.00 C ATOM 336 CG2 VAL A 25 4.258 4.744 -0.845 1.00 0.00 C ATOM 0 H VAL A 25 7.723 2.997 0.018 1.00 0.00 H new ATOM 0 HA VAL A 25 5.689 2.739 -1.981 1.00 0.00 H new ATOM 0 HB VAL A 25 5.210 3.229 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.767 5.415 1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.223 4.474 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.723 5.826 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.697 5.154 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.538 5.551 -1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.639 4.022 -1.377 1.00 0.00 H new ATOM 346 N LEU A 26 6.601 4.125 -3.783 1.00 0.00 N ATOM 347 CA LEU A 26 6.947 5.016 -4.877 1.00 0.00 C ATOM 348 C LEU A 26 5.719 5.841 -5.265 1.00 0.00 C ATOM 349 O LEU A 26 5.800 7.063 -5.383 1.00 0.00 O ATOM 350 CB LEU A 26 7.550 4.226 -6.040 1.00 0.00 C ATOM 351 CG LEU A 26 8.575 4.972 -6.898 1.00 0.00 C ATOM 352 CD1 LEU A 26 8.582 4.438 -8.332 1.00 0.00 C ATOM 353 CD2 LEU A 26 8.334 6.482 -6.850 1.00 0.00 C ATOM 0 H LEU A 26 6.254 3.210 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 26 7.719 5.720 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.025 3.331 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.738 3.893 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 26 9.566 4.790 -6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.319 4.985 -8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.838 3.378 -8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.594 4.570 -8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.076 6.989 -7.468 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.335 6.703 -7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.419 6.831 -5.821 1.00 0.00 H new ATOM 365 N TYR A 27 4.610 5.141 -5.453 1.00 0.00 N ATOM 366 CA TYR A 27 3.367 5.794 -5.826 1.00 0.00 C ATOM 367 C TYR A 27 2.235 5.403 -4.872 1.00 0.00 C ATOM 368 O TYR A 27 1.491 4.460 -5.139 1.00 0.00 O ATOM 369 CB TYR A 27 3.030 5.290 -7.231 1.00 0.00 C ATOM 370 CG TYR A 27 2.666 3.805 -7.289 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.660 2.849 -7.240 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.344 3.422 -7.390 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.317 1.451 -7.295 1.00 0.00 C ATOM 374 CE2 TYR A 27 1.002 2.025 -7.445 1.00 0.00 C ATOM 375 CZ TYR A 27 2.005 1.108 -7.395 1.00 0.00 C ATOM 376 OH TYR A 27 1.681 -0.212 -7.447 1.00 0.00 O ATOM 0 H TYR A 27 4.546 4.128 -5.354 1.00 0.00 H new ATOM 0 HA TYR A 27 3.476 6.878 -5.786 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.198 5.873 -7.625 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.883 5.470 -7.885 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.695 3.149 -7.160 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.566 4.170 -7.428 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.085 0.692 -7.258 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.029 1.712 -7.524 1.00 0.00 H new ATOM 0 HH TYR A 27 2.228 -0.709 -6.804 1.00 0.00 H new ATOM 386 N SER A 28 2.141 6.147 -3.780 1.00 0.00 N ATOM 387 CA SER A 28 1.113 5.891 -2.786 1.00 0.00 C ATOM 388 C SER A 28 -0.254 6.314 -3.326 1.00 0.00 C ATOM 389 O SER A 28 -0.523 7.504 -3.482 1.00 0.00 O ATOM 390 CB SER A 28 1.417 6.623 -1.478 1.00 0.00 C ATOM 391 OG SER A 28 1.594 8.023 -1.678 1.00 0.00 O ATOM 0 H SER A 28 2.760 6.928 -3.562 1.00 0.00 H new ATOM 0 HA SER A 28 1.098 4.821 -2.577 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.603 6.458 -0.772 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.318 6.204 -1.029 1.00 0.00 H new ATOM 0 HG SER A 28 1.046 8.317 -2.435 1.00 0.00 H new ATOM 397 N THR A 29 -1.083 5.316 -3.597 1.00 0.00 N ATOM 398 CA THR A 29 -2.416 5.570 -4.116 1.00 0.00 C ATOM 399 C THR A 29 -3.400 5.804 -2.968 1.00 0.00 C ATOM 400 O THR A 29 -3.126 5.436 -1.826 1.00 0.00 O ATOM 401 CB THR A 29 -2.803 4.398 -5.019 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.810 4.935 -5.873 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.519 3.282 -4.255 1.00 0.00 C ATOM 0 H THR A 29 -0.857 4.330 -3.467 1.00 0.00 H new ATOM 0 HA THR A 29 -2.441 6.481 -4.714 1.00 0.00 H new ATOM 0 HB THR A 29 -1.909 3.996 -5.495 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.719 4.549 -6.769 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.772 2.475 -4.942 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.865 2.900 -3.471 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.431 3.675 -3.806 1.00 0.00 H new ATOM 411 N LYS A 30 -4.525 6.413 -3.310 1.00 0.00 N ATOM 412 CA LYS A 30 -5.552 6.699 -2.322 1.00 0.00 C ATOM 413 C LYS A 30 -6.641 5.627 -2.398 1.00 0.00 C ATOM 414 O LYS A 30 -7.059 5.239 -3.488 1.00 0.00 O ATOM 415 CB LYS A 30 -6.079 8.125 -2.496 1.00 0.00 C ATOM 416 CG LYS A 30 -7.159 8.441 -1.458 1.00 0.00 C ATOM 417 CD LYS A 30 -8.207 9.396 -2.031 1.00 0.00 C ATOM 418 CE LYS A 30 -9.490 9.365 -1.198 1.00 0.00 C ATOM 419 NZ LYS A 30 -10.626 8.882 -2.015 1.00 0.00 N ATOM 0 H LYS A 30 -4.749 6.717 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.135 6.658 -1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.257 8.835 -2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.487 8.246 -3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.641 7.518 -1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.701 8.886 -0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.807 10.410 -2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.431 9.120 -3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.354 8.715 -0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.707 10.363 -0.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.489 8.867 -1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.765 9.518 -2.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.423 7.922 -2.359 1.00 0.00 H new ATOM 433 N VAL A 31 -7.069 5.180 -1.227 1.00 0.00 N ATOM 434 CA VAL A 31 -8.101 4.160 -1.148 1.00 0.00 C ATOM 435 C VAL A 31 -9.439 4.760 -1.584 1.00 0.00 C ATOM 436 O VAL A 31 -9.935 5.698 -0.963 1.00 0.00 O ATOM 437 CB VAL A 31 -8.143 3.567 0.262 1.00 0.00 C ATOM 438 CG1 VAL A 31 -8.730 2.154 0.246 1.00 0.00 C ATOM 439 CG2 VAL A 31 -6.753 3.576 0.903 1.00 0.00 C ATOM 0 H VAL A 31 -6.720 5.505 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.877 3.337 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.796 4.194 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.748 1.756 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.745 2.186 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.115 1.512 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.811 3.149 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.068 2.984 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.388 4.601 0.966 1.00 0.00 H new ATOM 449 N THR A 32 -9.985 4.193 -2.650 1.00 0.00 N ATOM 450 CA THR A 32 -11.256 4.660 -3.177 1.00 0.00 C ATOM 451 C THR A 32 -12.407 4.202 -2.278 1.00 0.00 C ATOM 452 O THR A 32 -12.431 3.057 -1.830 1.00 0.00 O ATOM 453 CB THR A 32 -11.379 4.168 -4.620 1.00 0.00 C ATOM 454 OG1 THR A 32 -10.255 4.745 -5.280 1.00 0.00 O ATOM 455 CG2 THR A 32 -12.585 4.771 -5.343 1.00 0.00 C ATOM 0 H THR A 32 -9.571 3.415 -3.163 1.00 0.00 H new ATOM 0 HA THR A 32 -11.305 5.749 -3.185 1.00 0.00 H new ATOM 0 HB THR A 32 -11.457 3.081 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.255 4.476 -6.222 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.626 4.389 -6.363 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.499 4.498 -4.816 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.490 5.857 -5.366 1.00 0.00 H new ATOM 463 N THR A 33 -13.333 5.120 -2.042 1.00 0.00 N ATOM 464 CA THR A 33 -14.483 4.824 -1.205 1.00 0.00 C ATOM 465 C THR A 33 -15.103 3.484 -1.605 1.00 0.00 C ATOM 466 O THR A 33 -15.907 2.921 -0.863 1.00 0.00 O ATOM 467 CB THR A 33 -15.458 5.999 -1.309 1.00 0.00 C ATOM 468 OG1 THR A 33 -16.509 5.658 -0.410 1.00 0.00 O ATOM 469 CG2 THR A 33 -16.144 6.072 -2.675 1.00 0.00 C ATOM 0 H THR A 33 -13.310 6.069 -2.416 1.00 0.00 H new ATOM 0 HA THR A 33 -14.194 4.714 -0.160 1.00 0.00 H new ATOM 0 HB THR A 33 -14.925 6.931 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.512 4.689 -0.262 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.825 6.923 -2.695 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.391 6.191 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.705 5.154 -2.850 1.00 0.00 H new ATOM 477 N SER A 34 -14.705 3.010 -2.777 1.00 0.00 N ATOM 478 CA SER A 34 -15.212 1.746 -3.285 1.00 0.00 C ATOM 479 C SER A 34 -14.238 0.617 -2.942 1.00 0.00 C ATOM 480 O SER A 34 -14.338 -0.481 -3.489 1.00 0.00 O ATOM 481 CB SER A 34 -15.439 1.811 -4.796 1.00 0.00 C ATOM 482 OG SER A 34 -15.312 0.532 -5.411 1.00 0.00 O ATOM 0 H SER A 34 -14.037 3.479 -3.389 1.00 0.00 H new ATOM 0 HA SER A 34 -16.172 1.546 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.432 2.212 -4.996 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.721 2.500 -5.241 1.00 0.00 H new ATOM 0 HG SER A 34 -15.427 -0.169 -4.736 1.00 0.00 H new ATOM 488 N ILE A 35 -13.317 0.925 -2.040 1.00 0.00 N ATOM 489 CA ILE A 35 -12.326 -0.050 -1.619 1.00 0.00 C ATOM 490 C ILE A 35 -13.005 -1.127 -0.771 1.00 0.00 C ATOM 491 O ILE A 35 -14.186 -1.013 -0.445 1.00 0.00 O ATOM 492 CB ILE A 35 -11.159 0.643 -0.913 1.00 0.00 C ATOM 493 CG1 ILE A 35 -9.820 0.207 -1.511 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.216 0.411 0.598 1.00 0.00 C ATOM 495 CD1 ILE A 35 -9.048 -0.683 -0.534 1.00 0.00 C ATOM 0 H ILE A 35 -13.237 1.836 -1.589 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.893 -0.551 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.250 1.717 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.992 -0.333 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.224 1.086 -1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.375 0.914 1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.150 0.811 0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.164 -0.658 0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.100 -0.979 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.857 -0.132 0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.637 -1.572 -0.309 1.00 0.00 H new ATOM 507 N THR A 36 -12.230 -2.149 -0.439 1.00 0.00 N ATOM 508 CA THR A 36 -12.742 -3.246 0.365 1.00 0.00 C ATOM 509 C THR A 36 -12.986 -2.785 1.803 1.00 0.00 C ATOM 510 O THR A 36 -12.061 -2.337 2.480 1.00 0.00 O ATOM 511 CB THR A 36 -11.756 -4.411 0.259 1.00 0.00 C ATOM 512 OG1 THR A 36 -12.206 -5.338 1.242 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.348 -4.030 0.723 1.00 0.00 C ATOM 0 H THR A 36 -11.251 -2.241 -0.712 1.00 0.00 H new ATOM 0 HA THR A 36 -13.710 -3.587 -0.002 1.00 0.00 H new ATOM 0 HB THR A 36 -11.717 -4.760 -0.773 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.467 -5.929 1.497 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.688 -4.892 0.627 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.970 -3.214 0.107 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.382 -3.713 1.765 1.00 0.00 H new ATOM 521 N SER A 37 -14.234 -2.911 2.228 1.00 0.00 N ATOM 522 CA SER A 37 -14.611 -2.512 3.574 1.00 0.00 C ATOM 523 C SER A 37 -15.135 -3.722 4.350 1.00 0.00 C ATOM 524 O SER A 37 -15.035 -3.769 5.575 1.00 0.00 O ATOM 525 CB SER A 37 -15.664 -1.403 3.545 1.00 0.00 C ATOM 526 OG SER A 37 -16.224 -1.231 2.246 1.00 0.00 O ATOM 0 H SER A 37 -14.998 -3.284 1.664 1.00 0.00 H new ATOM 0 HA SER A 37 -13.726 -2.122 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.458 -1.639 4.254 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.213 -0.466 3.872 1.00 0.00 H new ATOM 0 HG SER A 37 -16.893 -0.515 2.270 1.00 0.00 H new ATOM 532 N LYS A 38 -15.684 -4.671 3.605 1.00 0.00 N ATOM 533 CA LYS A 38 -16.225 -5.877 4.208 1.00 0.00 C ATOM 534 C LYS A 38 -15.256 -7.037 3.973 1.00 0.00 C ATOM 535 O LYS A 38 -14.935 -7.780 4.899 1.00 0.00 O ATOM 536 CB LYS A 38 -17.641 -6.145 3.694 1.00 0.00 C ATOM 537 CG LYS A 38 -17.612 -7.015 2.436 1.00 0.00 C ATOM 538 CD LYS A 38 -19.022 -7.218 1.877 1.00 0.00 C ATOM 539 CE LYS A 38 -18.983 -7.482 0.371 1.00 0.00 C ATOM 540 NZ LYS A 38 -20.059 -6.734 -0.315 1.00 0.00 N ATOM 0 H LYS A 38 -15.766 -4.629 2.589 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.321 -5.754 5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.226 -6.640 4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.137 -5.200 3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.981 -6.547 1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.166 -7.982 2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.501 -8.056 2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.628 -6.335 2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.014 -7.187 -0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.095 -8.549 0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -20.018 -6.925 -1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.982 -7.035 0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.934 -5.715 -0.148 1.00 0.00 H new ATOM 554 N LYS A 39 -14.817 -7.157 2.728 1.00 0.00 N ATOM 555 CA LYS A 39 -13.891 -8.215 2.360 1.00 0.00 C ATOM 556 C LYS A 39 -12.543 -7.966 3.039 1.00 0.00 C ATOM 557 O LYS A 39 -11.948 -6.901 2.875 1.00 0.00 O ATOM 558 CB LYS A 39 -13.799 -8.340 0.838 1.00 0.00 C ATOM 559 CG LYS A 39 -13.975 -9.794 0.396 1.00 0.00 C ATOM 560 CD LYS A 39 -12.788 -10.651 0.843 1.00 0.00 C ATOM 561 CE LYS A 39 -11.650 -10.587 -0.178 1.00 0.00 C ATOM 562 NZ LYS A 39 -10.341 -10.527 0.509 1.00 0.00 N ATOM 0 H LYS A 39 -15.085 -6.539 1.962 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.254 -9.180 2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.564 -7.719 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.834 -7.967 0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.897 -10.196 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.072 -9.839 -0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.431 -10.306 1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.109 -11.685 0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.687 -11.461 -0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.774 -9.711 -0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.580 -10.484 -0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.303 -9.679 1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.219 -11.375 1.098 1.00 0.00 H new ATOM 576 N TRP A 40 -12.099 -8.966 3.787 1.00 0.00 N ATOM 577 CA TRP A 40 -10.832 -8.869 4.491 1.00 0.00 C ATOM 578 C TRP A 40 -10.174 -10.250 4.473 1.00 0.00 C ATOM 579 O TRP A 40 -10.806 -11.247 4.821 1.00 0.00 O ATOM 580 CB TRP A 40 -11.032 -8.320 5.905 1.00 0.00 C ATOM 581 CG TRP A 40 -11.496 -6.862 5.947 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.427 -6.316 6.741 1.00 0.00 C ATOM 583 CD2 TRP A 40 -11.011 -5.781 5.124 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.576 -4.967 6.491 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.688 -4.631 5.477 1.00 0.00 C ATOM 586 CE3 TRP A 40 -10.031 -5.774 4.115 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.459 -3.390 4.870 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.815 -4.526 3.519 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.488 -3.360 3.862 1.00 0.00 C ATOM 0 H TRP A 40 -12.595 -9.847 3.921 1.00 0.00 H new ATOM 0 HA TRP A 40 -10.168 -8.161 3.995 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.764 -8.939 6.424 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -10.094 -8.408 6.454 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -12.990 -6.863 7.483 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -13.220 -4.333 6.964 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.488 -6.661 3.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -12.002 -2.504 5.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.073 -4.465 2.737 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.263 -2.434 3.353 1.00 0.00 H new ATOM 600 N GLY A 41 -8.914 -10.264 4.065 1.00 0.00 N ATOM 601 CA GLY A 41 -8.163 -11.507 3.998 1.00 0.00 C ATOM 602 C GLY A 41 -6.955 -11.469 4.936 1.00 0.00 C ATOM 603 O GLY A 41 -6.506 -10.395 5.333 1.00 0.00 O ATOM 0 H GLY A 41 -8.394 -9.435 3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.810 -12.342 4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.828 -11.679 2.975 1.00 0.00 H new ATOM 607 N THR A 42 -6.463 -12.655 5.262 1.00 0.00 N ATOM 608 CA THR A 42 -5.315 -12.772 6.146 1.00 0.00 C ATOM 609 C THR A 42 -4.126 -11.991 5.582 1.00 0.00 C ATOM 610 O THR A 42 -3.361 -11.389 6.333 1.00 0.00 O ATOM 611 CB THR A 42 -5.024 -14.260 6.349 1.00 0.00 C ATOM 612 OG1 THR A 42 -4.074 -14.286 7.411 1.00 0.00 O ATOM 613 CG2 THR A 42 -4.277 -14.878 5.166 1.00 0.00 C ATOM 0 H THR A 42 -6.838 -13.544 4.930 1.00 0.00 H new ATOM 0 HA THR A 42 -5.520 -12.331 7.121 1.00 0.00 H new ATOM 0 HB THR A 42 -5.961 -14.795 6.505 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.830 -15.214 7.609 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.096 -15.935 5.362 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.877 -14.774 4.262 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.325 -14.366 5.030 1.00 0.00 H new ATOM 621 N ARG A 43 -4.008 -12.028 4.262 1.00 0.00 N ATOM 622 CA ARG A 43 -2.925 -11.332 3.588 1.00 0.00 C ATOM 623 C ARG A 43 -3.399 -9.963 3.097 1.00 0.00 C ATOM 624 O ARG A 43 -2.672 -9.268 2.388 1.00 0.00 O ATOM 625 CB ARG A 43 -2.406 -12.141 2.399 1.00 0.00 C ATOM 626 CG ARG A 43 -1.060 -12.792 2.724 1.00 0.00 C ATOM 627 CD ARG A 43 -0.268 -13.082 1.447 1.00 0.00 C ATOM 628 NE ARG A 43 -0.791 -14.302 0.793 1.00 0.00 N ATOM 629 CZ ARG A 43 -0.261 -14.849 -0.322 1.00 0.00 C ATOM 630 NH1 ARG A 43 0.812 -14.288 -0.917 1.00 0.00 N ATOM 631 NH2 ARG A 43 -0.809 -15.941 -0.821 1.00 0.00 N ATOM 0 H ARG A 43 -4.644 -12.529 3.642 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.115 -11.204 4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.131 -12.910 2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.299 -11.491 1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.482 -12.135 3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.224 -13.719 3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.339 -12.235 0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.788 -13.211 1.685 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.602 -14.758 1.210 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.229 -13.444 -0.525 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.206 -14.708 -1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.620 -16.359 -0.365 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.421 -16.367 -1.663 1.00 0.00 H new ATOM 645 N ASP A 44 -4.615 -9.615 3.493 1.00 0.00 N ATOM 646 CA ASP A 44 -5.194 -8.342 3.101 1.00 0.00 C ATOM 647 C ASP A 44 -5.142 -7.377 4.288 1.00 0.00 C ATOM 648 O ASP A 44 -4.965 -7.799 5.429 1.00 0.00 O ATOM 649 CB ASP A 44 -6.658 -8.506 2.689 1.00 0.00 C ATOM 650 CG ASP A 44 -7.013 -7.929 1.317 1.00 0.00 C ATOM 651 OD1 ASP A 44 -6.603 -8.555 0.316 1.00 0.00 O ATOM 652 OD2 ASP A 44 -7.685 -6.875 1.301 1.00 0.00 O ATOM 0 H ASP A 44 -5.215 -10.193 4.081 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.623 -7.957 2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.904 -9.568 2.695 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.287 -8.029 3.441 1.00 0.00 H new ATOM 657 N LEU A 45 -5.300 -6.098 3.977 1.00 0.00 N ATOM 658 CA LEU A 45 -5.273 -5.070 5.003 1.00 0.00 C ATOM 659 C LEU A 45 -6.708 -4.708 5.394 1.00 0.00 C ATOM 660 O LEU A 45 -7.620 -4.798 4.573 1.00 0.00 O ATOM 661 CB LEU A 45 -4.442 -3.872 4.540 1.00 0.00 C ATOM 662 CG LEU A 45 -3.703 -3.104 5.637 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.594 -3.959 6.254 1.00 0.00 C ATOM 664 CD2 LEU A 45 -3.171 -1.769 5.110 1.00 0.00 C ATOM 0 H LEU A 45 -5.447 -5.751 3.029 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.781 -5.442 5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.709 -4.223 3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.101 -3.178 4.019 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.414 -2.876 6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.085 -3.389 7.031 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.028 -4.859 6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.878 -4.239 5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.650 -1.244 5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.481 -1.952 4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.003 -1.160 4.757 1.00 0.00 H new ATOM 676 N GLN A 46 -6.862 -4.307 6.647 1.00 0.00 N ATOM 677 CA GLN A 46 -8.170 -3.932 7.157 1.00 0.00 C ATOM 678 C GLN A 46 -8.435 -2.447 6.897 1.00 0.00 C ATOM 679 O GLN A 46 -9.130 -1.792 7.672 1.00 0.00 O ATOM 680 CB GLN A 46 -8.292 -4.258 8.646 1.00 0.00 C ATOM 681 CG GLN A 46 -9.638 -3.788 9.202 1.00 0.00 C ATOM 682 CD GLN A 46 -10.267 -4.859 10.095 1.00 0.00 C ATOM 683 OE1 GLN A 46 -11.472 -5.043 10.134 1.00 0.00 O ATOM 684 NE2 GLN A 46 -9.385 -5.554 10.809 1.00 0.00 N ATOM 0 H GLN A 46 -6.103 -4.234 7.324 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.925 -4.514 6.629 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.188 -5.333 8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.481 -3.779 9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.499 -2.870 9.772 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.313 -3.553 8.379 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.389 -5.349 10.729 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.705 -6.292 11.436 1.00 0.00 H new ATOM 693 N VAL A 47 -7.867 -1.960 5.804 1.00 0.00 N ATOM 694 CA VAL A 47 -8.032 -0.565 5.432 1.00 0.00 C ATOM 695 C VAL A 47 -9.507 -0.295 5.125 1.00 0.00 C ATOM 696 O VAL A 47 -10.272 -1.225 4.873 1.00 0.00 O ATOM 697 CB VAL A 47 -7.106 -0.221 4.264 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.643 -0.479 4.631 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.500 -0.995 3.005 1.00 0.00 C ATOM 0 H VAL A 47 -7.292 -2.507 5.163 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.747 0.087 6.258 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.216 0.842 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.005 -0.227 3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.369 0.137 5.488 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.511 -1.531 4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.826 -0.732 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.433 -2.065 3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.523 -0.740 2.726 1.00 0.00 H new ATOM 709 N LYS A 48 -9.861 0.981 5.156 1.00 0.00 N ATOM 710 CA LYS A 48 -11.230 1.385 4.884 1.00 0.00 C ATOM 711 C LYS A 48 -11.278 2.148 3.559 1.00 0.00 C ATOM 712 O LYS A 48 -10.280 2.732 3.138 1.00 0.00 O ATOM 713 CB LYS A 48 -11.802 2.168 6.066 1.00 0.00 C ATOM 714 CG LYS A 48 -12.714 1.284 6.920 1.00 0.00 C ATOM 715 CD LYS A 48 -11.901 0.242 7.691 1.00 0.00 C ATOM 716 CE LYS A 48 -11.221 0.869 8.910 1.00 0.00 C ATOM 717 NZ LYS A 48 -12.152 0.908 10.060 1.00 0.00 N ATOM 0 H LYS A 48 -9.223 1.749 5.365 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.871 0.510 4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.988 2.555 6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.362 3.028 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.275 1.903 7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.442 0.783 6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.554 -0.569 8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.148 -0.195 7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.332 0.295 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.889 1.879 8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.675 1.336 10.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.988 1.475 9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.449 -0.060 10.299 1.00 0.00 H new ATOM 731 N PRO A 49 -12.479 2.119 2.922 1.00 0.00 N ATOM 732 CA PRO A 49 -12.671 2.801 1.653 1.00 0.00 C ATOM 733 C PRO A 49 -12.776 4.314 1.855 1.00 0.00 C ATOM 734 O PRO A 49 -13.564 4.782 2.675 1.00 0.00 O ATOM 735 CB PRO A 49 -13.933 2.192 1.065 1.00 0.00 C ATOM 736 CG PRO A 49 -14.656 1.529 2.227 1.00 0.00 C ATOM 737 CD PRO A 49 -13.683 1.438 3.391 1.00 0.00 C ATOM 0 HA PRO A 49 -11.828 2.670 0.974 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.557 2.957 0.602 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.691 1.465 0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.536 2.108 2.509 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.005 0.536 1.943 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.087 1.917 4.283 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.475 0.401 3.653 1.00 0.00 H new ATOM 745 N GLY A 50 -11.969 5.038 1.093 1.00 0.00 N ATOM 746 CA GLY A 50 -11.961 6.489 1.178 1.00 0.00 C ATOM 747 C GLY A 50 -10.800 6.981 2.044 1.00 0.00 C ATOM 748 O GLY A 50 -10.757 8.150 2.425 1.00 0.00 O ATOM 0 H GLY A 50 -11.316 4.647 0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.879 6.915 0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.905 6.838 1.597 1.00 0.00 H new ATOM 752 N GLU A 51 -9.887 6.064 2.330 1.00 0.00 N ATOM 753 CA GLU A 51 -8.728 6.391 3.144 1.00 0.00 C ATOM 754 C GLU A 51 -7.469 6.448 2.277 1.00 0.00 C ATOM 755 O GLU A 51 -7.508 6.104 1.097 1.00 0.00 O ATOM 756 CB GLU A 51 -8.561 5.387 4.287 1.00 0.00 C ATOM 757 CG GLU A 51 -8.970 6.007 5.625 1.00 0.00 C ATOM 758 CD GLU A 51 -10.491 6.142 5.724 1.00 0.00 C ATOM 759 OE1 GLU A 51 -11.170 5.581 4.837 1.00 0.00 O ATOM 760 OE2 GLU A 51 -10.940 6.804 6.684 1.00 0.00 O ATOM 0 H GLU A 51 -9.926 5.095 2.013 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.885 7.374 3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.168 4.503 4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.523 5.057 4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.602 5.389 6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.506 6.988 5.732 1.00 0.00 H new ATOM 767 N SER A 52 -6.383 6.887 2.895 1.00 0.00 N ATOM 768 CA SER A 52 -5.114 6.994 2.195 1.00 0.00 C ATOM 769 C SER A 52 -4.129 5.955 2.734 1.00 0.00 C ATOM 770 O SER A 52 -3.954 5.830 3.945 1.00 0.00 O ATOM 771 CB SER A 52 -4.528 8.401 2.329 1.00 0.00 C ATOM 772 OG SER A 52 -3.777 8.554 3.530 1.00 0.00 O ATOM 0 H SER A 52 -6.355 7.173 3.874 1.00 0.00 H new ATOM 0 HA SER A 52 -5.290 6.802 1.137 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.888 8.610 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.335 9.133 2.310 1.00 0.00 H new ATOM 0 HG SER A 52 -3.418 9.465 3.578 1.00 0.00 H new ATOM 778 N LEU A 53 -3.511 5.236 1.808 1.00 0.00 N ATOM 779 CA LEU A 53 -2.548 4.212 2.175 1.00 0.00 C ATOM 780 C LEU A 53 -1.362 4.265 1.210 1.00 0.00 C ATOM 781 O LEU A 53 -1.491 4.752 0.088 1.00 0.00 O ATOM 782 CB LEU A 53 -3.224 2.841 2.245 1.00 0.00 C ATOM 783 CG LEU A 53 -2.899 1.874 1.105 1.00 0.00 C ATOM 784 CD1 LEU A 53 -3.908 0.725 1.056 1.00 0.00 C ATOM 785 CD2 LEU A 53 -2.807 2.614 -0.232 1.00 0.00 C ATOM 0 H LEU A 53 -3.659 5.343 0.804 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.155 4.399 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.945 2.368 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.303 2.991 2.271 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.920 1.435 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.654 0.052 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.881 0.177 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.909 1.126 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.575 1.904 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.760 3.099 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.021 3.367 -0.178 1.00 0.00 H new ATOM 797 N GLU A 54 -0.233 3.756 1.683 1.00 0.00 N ATOM 798 CA GLU A 54 0.975 3.739 0.876 1.00 0.00 C ATOM 799 C GLU A 54 0.955 2.548 -0.085 1.00 0.00 C ATOM 800 O GLU A 54 0.652 1.426 0.319 1.00 0.00 O ATOM 801 CB GLU A 54 2.224 3.710 1.759 1.00 0.00 C ATOM 802 CG GLU A 54 2.914 5.075 1.778 1.00 0.00 C ATOM 803 CD GLU A 54 2.583 5.839 3.062 1.00 0.00 C ATOM 804 OE1 GLU A 54 2.625 5.195 4.132 1.00 0.00 O ATOM 805 OE2 GLU A 54 2.296 7.050 2.944 1.00 0.00 O ATOM 0 H GLU A 54 -0.130 3.353 2.614 1.00 0.00 H new ATOM 0 HA GLU A 54 1.008 4.656 0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.949 3.423 2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.917 2.953 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.993 4.942 1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.599 5.658 0.912 1.00 0.00 H new ATOM 812 N VAL A 55 1.282 2.832 -1.337 1.00 0.00 N ATOM 813 CA VAL A 55 1.305 1.799 -2.357 1.00 0.00 C ATOM 814 C VAL A 55 2.755 1.407 -2.648 1.00 0.00 C ATOM 815 O VAL A 55 3.586 2.265 -2.942 1.00 0.00 O ATOM 816 CB VAL A 55 0.554 2.276 -3.602 1.00 0.00 C ATOM 817 CG1 VAL A 55 1.110 1.614 -4.865 1.00 0.00 C ATOM 818 CG2 VAL A 55 -0.949 2.022 -3.467 1.00 0.00 C ATOM 0 H VAL A 55 1.533 3.764 -1.668 1.00 0.00 H new ATOM 0 HA VAL A 55 0.791 0.905 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 55 0.705 3.352 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.559 1.970 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.164 1.867 -4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.003 0.532 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.459 2.370 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.128 0.954 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.333 2.560 -2.600 1.00 0.00 H new ATOM 828 N ILE A 56 3.015 0.111 -2.554 1.00 0.00 N ATOM 829 CA ILE A 56 4.350 -0.404 -2.803 1.00 0.00 C ATOM 830 C ILE A 56 4.473 -0.800 -4.275 1.00 0.00 C ATOM 831 O ILE A 56 4.016 -0.075 -5.157 1.00 0.00 O ATOM 832 CB ILE A 56 4.676 -1.541 -1.831 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.337 -1.146 -0.392 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.132 -1.985 -1.975 1.00 0.00 C ATOM 835 CD1 ILE A 56 4.998 -2.096 0.608 1.00 0.00 C ATOM 0 H ILE A 56 2.323 -0.597 -2.309 1.00 0.00 H new ATOM 0 HA ILE A 56 5.097 0.368 -2.617 1.00 0.00 H new ATOM 0 HB ILE A 56 4.052 -2.397 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.669 -0.125 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.256 -1.160 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.337 -2.793 -1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.307 -2.335 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.792 -1.144 -1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.741 -1.793 1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.645 -3.112 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.080 -2.061 0.482 1.00 0.00 H new ATOM 847 N GLN A 57 5.093 -1.950 -4.496 1.00 0.00 N ATOM 848 CA GLN A 57 5.282 -2.452 -5.847 1.00 0.00 C ATOM 849 C GLN A 57 4.155 -3.417 -6.217 1.00 0.00 C ATOM 850 O GLN A 57 3.539 -4.023 -5.342 1.00 0.00 O ATOM 851 CB GLN A 57 6.649 -3.122 -5.997 1.00 0.00 C ATOM 852 CG GLN A 57 7.766 -2.079 -6.067 1.00 0.00 C ATOM 853 CD GLN A 57 7.954 -1.573 -7.499 1.00 0.00 C ATOM 854 OE1 GLN A 57 8.498 -2.248 -8.357 1.00 0.00 O ATOM 855 NE2 GLN A 57 7.475 -0.349 -7.707 1.00 0.00 N ATOM 0 H GLN A 57 5.471 -2.549 -3.762 1.00 0.00 H new ATOM 0 HA GLN A 57 5.251 -1.607 -6.535 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.824 -3.792 -5.155 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.661 -3.734 -6.899 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.529 -1.242 -5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.698 -2.514 -5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.031 0.161 -6.944 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.552 0.079 -8.630 1.00 0.00 H new ATOM 864 N THR A 58 3.918 -3.530 -7.516 1.00 0.00 N ATOM 865 CA THR A 58 2.876 -4.412 -8.013 1.00 0.00 C ATOM 866 C THR A 58 3.246 -5.874 -7.755 1.00 0.00 C ATOM 867 O THR A 58 4.293 -6.341 -8.201 1.00 0.00 O ATOM 868 CB THR A 58 2.653 -4.093 -9.493 1.00 0.00 C ATOM 869 OG1 THR A 58 3.968 -3.934 -10.016 1.00 0.00 O ATOM 870 CG2 THR A 58 1.999 -2.726 -9.705 1.00 0.00 C ATOM 0 H THR A 58 4.430 -3.025 -8.239 1.00 0.00 H new ATOM 0 HA THR A 58 1.936 -4.250 -7.486 1.00 0.00 H new ATOM 0 HB THR A 58 2.030 -4.867 -9.941 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.539 -4.662 -9.692 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.863 -2.549 -10.772 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.029 -2.705 -9.208 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.638 -1.948 -9.287 1.00 0.00 H new ATOM 878 N THR A 59 2.366 -6.556 -7.037 1.00 0.00 N ATOM 879 CA THR A 59 2.587 -7.955 -6.714 1.00 0.00 C ATOM 880 C THR A 59 2.814 -8.767 -7.991 1.00 0.00 C ATOM 881 O THR A 59 3.944 -9.143 -8.299 1.00 0.00 O ATOM 882 CB THR A 59 1.396 -8.444 -5.887 1.00 0.00 C ATOM 883 OG1 THR A 59 1.717 -8.056 -4.554 1.00 0.00 O ATOM 884 CG2 THR A 59 1.316 -9.971 -5.822 1.00 0.00 C ATOM 0 H THR A 59 1.498 -6.165 -6.670 1.00 0.00 H new ATOM 0 HA THR A 59 3.490 -8.085 -6.118 1.00 0.00 H new ATOM 0 HB THR A 59 0.473 -8.050 -6.312 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.301 -8.679 -3.923 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.454 -10.265 -5.224 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.212 -10.373 -6.830 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.225 -10.364 -5.366 1.00 0.00 H new ATOM 892 N ASP A 60 1.722 -9.014 -8.700 1.00 0.00 N ATOM 893 CA ASP A 60 1.788 -9.774 -9.936 1.00 0.00 C ATOM 894 C ASP A 60 1.621 -8.824 -11.124 1.00 0.00 C ATOM 895 O ASP A 60 2.600 -8.275 -11.626 1.00 0.00 O ATOM 896 CB ASP A 60 0.669 -10.815 -10.003 1.00 0.00 C ATOM 897 CG ASP A 60 0.404 -11.392 -11.395 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.365 -11.948 -11.971 1.00 0.00 O ATOM 899 OD2 ASP A 60 -0.752 -11.265 -11.851 1.00 0.00 O ATOM 0 H ASP A 60 0.786 -8.701 -8.441 1.00 0.00 H new ATOM 0 HA ASP A 60 2.753 -10.279 -9.970 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.915 -11.634 -9.327 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.251 -10.362 -9.633 1.00 0.00 H new ATOM 904 N ASP A 61 0.373 -8.659 -11.537 1.00 0.00 N ATOM 905 CA ASP A 61 0.065 -7.785 -12.656 1.00 0.00 C ATOM 906 C ASP A 61 -0.833 -6.644 -12.175 1.00 0.00 C ATOM 907 O ASP A 61 -0.490 -5.472 -12.327 1.00 0.00 O ATOM 908 CB ASP A 61 -0.681 -8.541 -13.757 1.00 0.00 C ATOM 909 CG ASP A 61 -0.080 -9.897 -14.132 1.00 0.00 C ATOM 910 OD1 ASP A 61 1.127 -10.078 -13.859 1.00 0.00 O ATOM 911 OD2 ASP A 61 -0.840 -10.722 -14.683 1.00 0.00 O ATOM 0 H ASP A 61 -0.437 -9.116 -11.117 1.00 0.00 H new ATOM 0 HA ASP A 61 1.005 -7.404 -13.054 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.712 -8.693 -13.438 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.713 -7.915 -14.649 1.00 0.00 H new ATOM 916 N THR A 62 -1.965 -7.026 -11.602 1.00 0.00 N ATOM 917 CA THR A 62 -2.915 -6.050 -11.097 1.00 0.00 C ATOM 918 C THR A 62 -3.084 -6.203 -9.584 1.00 0.00 C ATOM 919 O THR A 62 -4.145 -6.610 -9.113 1.00 0.00 O ATOM 920 CB THR A 62 -4.222 -6.215 -11.875 1.00 0.00 C ATOM 921 OG1 THR A 62 -3.826 -6.847 -13.089 1.00 0.00 O ATOM 922 CG2 THR A 62 -4.809 -4.876 -12.326 1.00 0.00 C ATOM 0 H THR A 62 -2.245 -7.999 -11.476 1.00 0.00 H new ATOM 0 HA THR A 62 -2.556 -5.032 -11.250 1.00 0.00 H new ATOM 0 HB THR A 62 -4.949 -6.739 -11.255 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.614 -6.993 -13.654 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.735 -5.051 -12.873 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.015 -4.256 -11.453 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.096 -4.366 -12.973 1.00 0.00 H new ATOM 930 N LYS A 63 -2.023 -5.870 -8.865 1.00 0.00 N ATOM 931 CA LYS A 63 -2.040 -5.967 -7.415 1.00 0.00 C ATOM 932 C LYS A 63 -1.008 -5.000 -6.832 1.00 0.00 C ATOM 933 O LYS A 63 0.139 -4.969 -7.275 1.00 0.00 O ATOM 934 CB LYS A 63 -1.843 -7.418 -6.972 1.00 0.00 C ATOM 935 CG LYS A 63 -1.680 -7.510 -5.454 1.00 0.00 C ATOM 936 CD LYS A 63 -3.034 -7.400 -4.749 1.00 0.00 C ATOM 937 CE LYS A 63 -3.549 -8.779 -4.334 1.00 0.00 C ATOM 938 NZ LYS A 63 -4.215 -9.449 -5.473 1.00 0.00 N ATOM 0 H LYS A 63 -1.145 -5.532 -9.259 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.013 -5.669 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.697 -8.017 -7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.963 -7.835 -7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.206 -8.456 -5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.020 -6.715 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.939 -6.763 -3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.756 -6.923 -5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.720 -9.391 -3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.249 -8.678 -3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.902 -10.142 -5.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.708 -8.740 -6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.503 -9.936 -6.054 1.00 0.00 H new ATOM 952 N VAL A 64 -1.453 -4.234 -5.846 1.00 0.00 N ATOM 953 CA VAL A 64 -0.582 -3.268 -5.198 1.00 0.00 C ATOM 954 C VAL A 64 -0.508 -3.580 -3.701 1.00 0.00 C ATOM 955 O VAL A 64 -1.536 -3.760 -3.050 1.00 0.00 O ATOM 956 CB VAL A 64 -1.068 -1.847 -5.489 1.00 0.00 C ATOM 957 CG1 VAL A 64 -1.133 -1.588 -6.996 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.423 -1.584 -4.828 1.00 0.00 C ATOM 0 H VAL A 64 -2.405 -4.263 -5.480 1.00 0.00 H new ATOM 0 HA VAL A 64 0.430 -3.338 -5.596 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.346 -1.152 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.481 -0.571 -7.176 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.141 -1.714 -7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.823 -2.295 -7.457 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.745 -0.567 -5.051 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.159 -2.290 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.331 -1.707 -3.749 1.00 0.00 H new ATOM 968 N LEU A 65 0.717 -3.633 -3.201 1.00 0.00 N ATOM 969 CA LEU A 65 0.939 -3.919 -1.793 1.00 0.00 C ATOM 970 C LEU A 65 0.902 -2.612 -0.999 1.00 0.00 C ATOM 971 O LEU A 65 1.645 -1.679 -1.298 1.00 0.00 O ATOM 972 CB LEU A 65 2.231 -4.716 -1.606 1.00 0.00 C ATOM 973 CG LEU A 65 3.059 -4.370 -0.367 1.00 0.00 C ATOM 974 CD1 LEU A 65 2.306 -4.732 0.915 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.439 -5.029 -0.427 1.00 0.00 C ATOM 0 H LEU A 65 1.567 -3.483 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 65 0.142 -4.552 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.978 -5.776 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.855 -4.571 -2.488 1.00 0.00 H new ATOM 0 HG LEU A 65 3.218 -3.292 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.917 -4.476 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.369 -4.177 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.095 -5.801 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.007 -4.767 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.323 -6.112 -0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.971 -4.679 -1.311 1.00 0.00 H new ATOM 987 N CYS A 66 0.029 -2.587 -0.003 1.00 0.00 N ATOM 988 CA CYS A 66 -0.115 -1.409 0.836 1.00 0.00 C ATOM 989 C CYS A 66 0.858 -1.535 2.011 1.00 0.00 C ATOM 990 O CYS A 66 1.277 -2.637 2.360 1.00 0.00 O ATOM 991 CB CYS A 66 -1.558 -1.224 1.309 1.00 0.00 C ATOM 992 SG CYS A 66 -1.580 -0.446 2.965 1.00 0.00 S ATOM 0 H CYS A 66 -0.586 -3.363 0.242 1.00 0.00 H new ATOM 0 HA CYS A 66 0.126 -0.517 0.258 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.105 -0.603 0.599 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.064 -2.189 1.345 1.00 0.00 H new ATOM 0 HG CYS A 66 -1.015 0.723 2.903 1.00 0.00 H new ATOM 998 N ARG A 67 1.190 -0.389 2.587 1.00 0.00 N ATOM 999 CA ARG A 67 2.106 -0.357 3.715 1.00 0.00 C ATOM 1000 C ARG A 67 1.567 0.564 4.811 1.00 0.00 C ATOM 1001 O ARG A 67 0.929 1.575 4.519 1.00 0.00 O ATOM 1002 CB ARG A 67 3.491 0.131 3.285 1.00 0.00 C ATOM 1003 CG ARG A 67 4.591 -0.564 4.090 1.00 0.00 C ATOM 1004 CD ARG A 67 5.975 -0.052 3.684 1.00 0.00 C ATOM 1005 NE ARG A 67 6.804 0.173 4.889 1.00 0.00 N ATOM 1006 CZ ARG A 67 7.902 0.959 4.916 1.00 0.00 C ATOM 1007 NH1 ARG A 67 8.313 1.601 3.802 1.00 0.00 N ATOM 1008 NH2 ARG A 67 8.569 1.088 6.048 1.00 0.00 N ATOM 0 H ARG A 67 0.841 0.524 2.294 1.00 0.00 H new ATOM 0 HA ARG A 67 2.194 -1.373 4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.635 -0.063 2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.560 1.210 3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.433 -0.390 5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.537 -1.641 3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.461 -0.774 3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.878 0.876 3.121 1.00 0.00 H new ATOM 0 HE ARG A 67 6.529 -0.295 5.753 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.793 1.494 2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.143 2.193 3.831 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.253 0.598 6.885 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.400 1.678 6.086 1.00 0.00 H new ATOM 1022 N ASN A 68 1.842 0.182 6.049 1.00 0.00 N ATOM 1023 CA ASN A 68 1.392 0.961 7.191 1.00 0.00 C ATOM 1024 C ASN A 68 2.607 1.445 7.983 1.00 0.00 C ATOM 1025 O ASN A 68 3.498 0.659 8.302 1.00 0.00 O ATOM 1026 CB ASN A 68 0.523 0.116 8.125 1.00 0.00 C ATOM 1027 CG ASN A 68 -0.365 1.004 8.999 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -0.604 2.165 8.709 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -0.839 0.396 10.083 1.00 0.00 N ATOM 0 H ASN A 68 2.371 -0.657 6.287 1.00 0.00 H new ATOM 0 HA ASN A 68 0.808 1.802 6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.098 -0.560 7.537 1.00 0.00 H new ATOM 0 HB3 ASN A 68 1.159 -0.504 8.757 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.441 0.904 10.730 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.600 -0.578 10.267 1.00 0.00 H new ATOM 1036 N GLU A 69 2.605 2.736 8.279 1.00 0.00 N ATOM 1037 CA GLU A 69 3.697 3.335 9.028 1.00 0.00 C ATOM 1038 C GLU A 69 3.919 2.577 10.339 1.00 0.00 C ATOM 1039 O GLU A 69 4.979 2.689 10.952 1.00 0.00 O ATOM 1040 CB GLU A 69 3.433 4.819 9.291 1.00 0.00 C ATOM 1041 CG GLU A 69 4.627 5.473 9.988 1.00 0.00 C ATOM 1042 CD GLU A 69 4.861 6.890 9.460 1.00 0.00 C ATOM 1043 OE1 GLU A 69 4.807 7.051 8.222 1.00 0.00 O ATOM 1044 OE2 GLU A 69 5.088 7.781 10.308 1.00 0.00 O ATOM 0 H GLU A 69 1.864 3.385 8.014 1.00 0.00 H new ATOM 0 HA GLU A 69 4.605 3.262 8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.233 5.329 8.349 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.542 4.930 9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.452 5.506 11.063 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.521 4.870 9.829 1.00 0.00 H new ATOM 1051 N GLU A 70 2.902 1.823 10.728 1.00 0.00 N ATOM 1052 CA GLU A 70 2.972 1.046 11.955 1.00 0.00 C ATOM 1053 C GLU A 70 3.899 -0.157 11.769 1.00 0.00 C ATOM 1054 O GLU A 70 4.164 -0.893 12.718 1.00 0.00 O ATOM 1055 CB GLU A 70 1.579 0.601 12.403 1.00 0.00 C ATOM 1056 CG GLU A 70 1.541 0.357 13.913 1.00 0.00 C ATOM 1057 CD GLU A 70 1.315 1.664 14.674 1.00 0.00 C ATOM 1058 OE1 GLU A 70 0.402 2.411 14.260 1.00 0.00 O ATOM 1059 OE2 GLU A 70 2.059 1.887 15.653 1.00 0.00 O ATOM 0 H GLU A 70 2.025 1.733 10.216 1.00 0.00 H new ATOM 0 HA GLU A 70 3.384 1.680 12.740 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.846 1.362 12.135 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.298 -0.311 11.876 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.745 -0.349 14.151 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.478 -0.098 14.235 1.00 0.00 H new ATOM 1066 N GLY A 71 4.367 -0.318 10.540 1.00 0.00 N ATOM 1067 CA GLY A 71 5.259 -1.419 10.217 1.00 0.00 C ATOM 1068 C GLY A 71 4.468 -2.666 9.816 1.00 0.00 C ATOM 1069 O GLY A 71 5.004 -3.773 9.819 1.00 0.00 O ATOM 0 H GLY A 71 4.145 0.296 9.756 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.922 -1.127 9.403 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.890 -1.645 11.077 1.00 0.00 H new ATOM 1073 N LYS A 72 3.205 -2.444 9.482 1.00 0.00 N ATOM 1074 CA LYS A 72 2.335 -3.536 9.079 1.00 0.00 C ATOM 1075 C LYS A 72 1.961 -3.368 7.605 1.00 0.00 C ATOM 1076 O LYS A 72 1.434 -2.329 7.209 1.00 0.00 O ATOM 1077 CB LYS A 72 1.127 -3.631 10.013 1.00 0.00 C ATOM 1078 CG LYS A 72 -0.130 -4.040 9.243 1.00 0.00 C ATOM 1079 CD LYS A 72 -1.253 -4.444 10.202 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.956 -3.210 10.772 1.00 0.00 C ATOM 1081 NZ LYS A 72 -2.784 -3.581 11.942 1.00 0.00 N ATOM 0 H LYS A 72 2.764 -1.524 9.482 1.00 0.00 H new ATOM 0 HA LYS A 72 2.855 -4.490 9.169 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.328 -4.357 10.801 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.963 -2.670 10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.462 -3.213 8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.101 -4.871 8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.976 -5.070 9.679 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.844 -5.042 11.016 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.216 -2.465 11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.582 -2.754 10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.254 -2.733 12.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.502 -4.276 11.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.178 -3.995 12.679 1.00 0.00 H new ATOM 1095 N TYR A 73 2.248 -4.405 6.832 1.00 0.00 N ATOM 1096 CA TYR A 73 1.949 -4.385 5.411 1.00 0.00 C ATOM 1097 C TYR A 73 0.682 -5.187 5.106 1.00 0.00 C ATOM 1098 O TYR A 73 0.259 -6.015 5.911 1.00 0.00 O ATOM 1099 CB TYR A 73 3.140 -5.052 4.719 1.00 0.00 C ATOM 1100 CG TYR A 73 4.432 -4.235 4.780 1.00 0.00 C ATOM 1101 CD1 TYR A 73 4.997 -3.927 6.001 1.00 0.00 C ATOM 1102 CD2 TYR A 73 5.033 -3.806 3.614 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.213 -3.158 6.058 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.249 -3.038 3.671 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.779 -2.752 4.890 1.00 0.00 C ATOM 1106 OH TYR A 73 7.928 -2.026 4.944 1.00 0.00 O ATOM 0 H TYR A 73 2.685 -5.265 7.164 1.00 0.00 H new ATOM 0 HA TYR A 73 1.785 -3.363 5.068 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.315 -6.025 5.178 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.886 -5.233 3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.527 -4.263 6.914 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.591 -4.047 2.659 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.665 -2.909 7.007 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.730 -2.697 2.766 1.00 0.00 H new ATOM 0 HH TYR A 73 8.664 -2.600 5.244 1.00 0.00 H new ATOM 1116 N GLY A 74 0.113 -4.913 3.941 1.00 0.00 N ATOM 1117 CA GLY A 74 -1.097 -5.599 3.520 1.00 0.00 C ATOM 1118 C GLY A 74 -1.240 -5.572 1.997 1.00 0.00 C ATOM 1119 O GLY A 74 -0.638 -4.734 1.328 1.00 0.00 O ATOM 0 H GLY A 74 0.467 -4.226 3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.074 -6.632 3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.966 -5.127 3.979 1.00 0.00 H new ATOM 1123 N TYR A 75 -2.042 -6.499 1.494 1.00 0.00 N ATOM 1124 CA TYR A 75 -2.272 -6.592 0.062 1.00 0.00 C ATOM 1125 C TYR A 75 -3.646 -6.030 -0.310 1.00 0.00 C ATOM 1126 O TYR A 75 -4.580 -6.086 0.488 1.00 0.00 O ATOM 1127 CB TYR A 75 -2.237 -8.084 -0.275 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.845 -8.609 -0.632 1.00 0.00 C ATOM 1129 CD1 TYR A 75 -0.030 -7.884 -1.478 1.00 0.00 C ATOM 1130 CD2 TYR A 75 -0.403 -9.807 -0.108 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.280 -8.377 -1.814 1.00 0.00 C ATOM 1132 CE2 TYR A 75 0.907 -10.300 -0.444 1.00 0.00 C ATOM 1133 CZ TYR A 75 1.684 -9.561 -1.281 1.00 0.00 C ATOM 1134 OH TYR A 75 2.922 -10.027 -1.598 1.00 0.00 O ATOM 0 H TYR A 75 -2.540 -7.192 2.052 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.521 -6.022 -0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.619 -8.647 0.576 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.911 -8.273 -1.111 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.375 -6.946 -1.888 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.040 -10.375 0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.927 -7.819 -2.474 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.265 -11.236 -0.041 1.00 0.00 H new ATOM 0 HH TYR A 75 3.536 -9.858 -0.853 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.725 -5.501 -1.522 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.969 -4.929 -2.009 1.00 0.00 C ATOM 1146 C VAL A 76 -5.171 -5.331 -3.472 1.00 0.00 C ATOM 1147 O VAL A 76 -4.302 -5.096 -4.310 1.00 0.00 O ATOM 1148 CB VAL A 76 -4.965 -3.413 -1.801 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -4.281 -2.701 -2.969 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -6.385 -2.885 -1.592 1.00 0.00 C ATOM 0 H VAL A 76 -2.948 -5.456 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.816 -5.319 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.392 -3.200 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.292 -1.625 -2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.250 -3.045 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.813 -2.925 -3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.354 -1.805 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.992 -3.116 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.823 -3.357 -0.713 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.323 -5.930 -3.734 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.651 -6.366 -5.080 1.00 0.00 C ATOM 1162 C LEU A 77 -7.086 -5.157 -5.912 1.00 0.00 C ATOM 1163 O LEU A 77 -7.767 -4.266 -5.408 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.687 -7.491 -5.042 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.495 -8.616 -6.061 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -8.796 -9.391 -6.274 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -6.928 -8.074 -7.375 1.00 0.00 C ATOM 0 H LEU A 77 -7.041 -6.124 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.773 -6.789 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.683 -7.928 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.674 -7.054 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.764 -9.319 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.632 -10.185 -7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.118 -9.827 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.567 -8.714 -6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.801 -8.894 -8.082 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.616 -7.338 -7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.963 -7.603 -7.188 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.674 -5.167 -7.171 1.00 0.00 N ATOM 1180 CA ARG A 78 -7.012 -4.083 -8.077 1.00 0.00 C ATOM 1181 C ARG A 78 -8.530 -3.912 -8.157 1.00 0.00 C ATOM 1182 O ARG A 78 -9.020 -2.848 -8.533 1.00 0.00 O ATOM 1183 CB ARG A 78 -6.461 -4.345 -9.480 1.00 0.00 C ATOM 1184 CG ARG A 78 -7.309 -5.384 -10.217 1.00 0.00 C ATOM 1185 CD ARG A 78 -8.035 -4.754 -11.407 1.00 0.00 C ATOM 1186 NE ARG A 78 -9.494 -4.968 -11.280 1.00 0.00 N ATOM 1187 CZ ARG A 78 -10.415 -4.412 -12.096 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -10.034 -3.602 -13.107 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -11.693 -4.671 -11.890 1.00 0.00 N ATOM 0 H ARG A 78 -6.109 -5.909 -7.585 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.560 -3.171 -7.686 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.445 -3.415 -10.048 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.431 -4.694 -9.411 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.673 -6.198 -10.564 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.036 -5.818 -9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.818 -3.687 -11.452 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.674 -5.193 -12.337 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.825 -5.574 -10.529 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.044 -3.406 -13.259 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.736 -3.186 -13.719 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.972 -5.283 -11.123 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.401 -4.259 -12.497 1.00 0.00 H new ATOM 1203 N SER A 79 -9.233 -4.975 -7.797 1.00 0.00 N ATOM 1204 CA SER A 79 -10.686 -4.957 -7.823 1.00 0.00 C ATOM 1205 C SER A 79 -11.206 -3.719 -7.088 1.00 0.00 C ATOM 1206 O SER A 79 -11.901 -2.892 -7.675 1.00 0.00 O ATOM 1207 CB SER A 79 -11.265 -6.228 -7.198 1.00 0.00 C ATOM 1208 OG SER A 79 -12.683 -6.287 -7.324 1.00 0.00 O ATOM 0 H SER A 79 -8.823 -5.856 -7.485 1.00 0.00 H new ATOM 0 HA SER A 79 -11.009 -4.918 -8.863 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.822 -7.101 -7.676 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.993 -6.270 -6.143 1.00 0.00 H new ATOM 0 HG SER A 79 -13.014 -7.114 -6.914 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.850 -3.633 -5.815 1.00 0.00 N ATOM 1215 CA TYR A 80 -11.272 -2.511 -4.995 1.00 0.00 C ATOM 1216 C TYR A 80 -10.069 -1.691 -4.525 1.00 0.00 C ATOM 1217 O TYR A 80 -9.569 -1.893 -3.419 1.00 0.00 O ATOM 1218 CB TYR A 80 -11.968 -3.119 -3.775 1.00 0.00 C ATOM 1219 CG TYR A 80 -11.189 -4.261 -3.119 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -10.197 -3.982 -2.201 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.478 -5.570 -3.447 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.464 -5.057 -1.584 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.744 -6.645 -2.830 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.774 -6.335 -1.929 1.00 0.00 C ATOM 1225 OH TYR A 80 -9.081 -7.350 -1.346 1.00 0.00 O ATOM 0 H TYR A 80 -10.274 -4.322 -5.331 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.925 -1.846 -5.561 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -12.134 -2.335 -3.036 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -12.949 -3.487 -4.075 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.970 -2.957 -1.945 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.254 -5.788 -4.166 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.686 -4.853 -0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.959 -7.674 -3.077 1.00 0.00 H new ATOM 0 HH TYR A 80 -8.717 -7.047 -0.488 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.638 -0.784 -5.389 1.00 0.00 N ATOM 1236 CA LEU A 81 -8.502 0.067 -5.076 1.00 0.00 C ATOM 1237 C LEU A 81 -8.448 1.225 -6.075 1.00 0.00 C ATOM 1238 O LEU A 81 -9.227 1.266 -7.026 1.00 0.00 O ATOM 1239 CB LEU A 81 -7.214 -0.757 -5.020 1.00 0.00 C ATOM 1240 CG LEU A 81 -6.004 -0.162 -5.742 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -5.247 0.809 -4.834 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -5.094 -1.264 -6.288 1.00 0.00 C ATOM 0 H LEU A 81 -10.055 -0.620 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.616 0.505 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.949 -0.909 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.417 -1.741 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.364 0.410 -6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.391 1.218 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.910 1.621 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.899 0.281 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.242 -0.813 -6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.739 -1.884 -5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.652 -1.881 -6.992 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.520 2.137 -5.825 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.354 3.292 -6.690 1.00 0.00 C ATOM 1256 C ALA A 82 -6.488 2.904 -7.891 1.00 0.00 C ATOM 1257 O ALA A 82 -5.958 1.796 -7.946 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.754 4.449 -5.889 1.00 0.00 C ATOM 0 H ALA A 82 -6.875 2.099 -5.036 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.318 3.626 -7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.630 5.315 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.420 4.706 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.784 4.152 -5.491 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.371 3.839 -8.823 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.579 3.609 -10.019 1.00 0.00 C ATOM 1266 C ASP A 83 -4.159 3.208 -9.615 1.00 0.00 C ATOM 1267 O ASP A 83 -3.593 3.773 -8.681 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.489 4.876 -10.872 1.00 0.00 C ATOM 1269 CG ASP A 83 -5.708 6.185 -10.111 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -5.670 6.129 -8.862 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -5.909 7.212 -10.794 1.00 0.00 O ATOM 0 H ASP A 83 -6.812 4.758 -8.774 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.060 2.820 -10.596 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.508 4.908 -11.345 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.227 4.811 -11.672 1.00 0.00 H new TER 1276 ASP A 83