USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 770 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 MET CE :methyl -117:sc= -2.33 (180deg=-2.44!) USER MOD Set 1.2: A 80 CYS SG : rot -110:sc= -0.336 USER MOD Set 1.3: A 88 THR OG1 : rot 71:sc= -1.67! USER MOD Set 2.1: A 62 HIS : no HD1:sc= -0.455 X(o=-0.97,f=-1.2) USER MOD Set 2.2: A 66 ASN : amide:sc= -0.514 X(o=-0.97,f=-1.2) USER MOD Set 3.1: A 27 SER OG : rot -29:sc= 0.503 USER MOD Set 3.2: A 61 THR OG1 : rot 82:sc= 1.06 USER MOD Set 4.1: A 48 THR OG1 : rot 180:sc= 0.0939 USER MOD Set 4.2: A 49 THR OG1 : rot 97:sc= 1.29 USER MOD Set 5.1: A 37 TYR OH : rot 180:sc= -2.36! USER MOD Set 5.2: A 93 LYS NZ :NH3+ 153:sc= 0.404 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= -0.0594 (180deg=-0.335) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0056) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot 70:sc= 0.574 USER MOD Single : A 35 ASN : amide:sc= 2.12 K(o=2.1,f=-6.8!) USER MOD Single : A 39 LYS NZ :NH3+ 168:sc=-0.00104 (180deg=-0.141) USER MOD Single : A 42 CYS SG : rot 90:sc= -3.74! USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0326) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.387 USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= -0.0397 (180deg=-0.246) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -166:sc= -0.533 (180deg=-0.546) USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= -0.0327 (180deg=-0.258) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= -0.0532 (180deg=-0.218) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -173:sc= 1.28 USER MOD Single : A 73 LYS NZ :NH3+ 163:sc= -0.0946 (180deg=-0.431) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc= -5.81! C(o=-5.8!,f=-18!) USER MOD Single : A 83 ASN : amide:sc= -3.14! C(o=-3.1!,f=-5.2!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 163:sc= -0.14 (180deg=-0.445) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -152:sc= -0.927 (180deg=-2.42!) USER MOD Single : A 95 TYR OH : rot 100:sc= -0.594 USER MOD Single : A 96 MET CE :methyl 151:sc= -2.42 (180deg=-3.08!) USER MOD Single : A 97 GLN : amide:sc= 0.349 K(o=0.35,f=-0.81) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.3 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N LYS A 17 2.275 -13.564 7.256 1.00 0.00 N ATOM 104 CA LYS A 17 3.581 -13.094 6.876 1.00 0.00 C ATOM 105 C LYS A 17 3.467 -12.256 5.619 1.00 0.00 C ATOM 106 O LYS A 17 4.118 -11.222 5.493 1.00 0.00 O ATOM 107 CB LYS A 17 4.563 -14.263 6.621 1.00 0.00 C ATOM 108 CG LYS A 17 5.066 -15.008 7.866 1.00 0.00 C ATOM 109 CD LYS A 17 3.972 -15.757 8.605 1.00 0.00 C ATOM 110 CE LYS A 17 4.528 -16.536 9.785 1.00 0.00 C ATOM 111 NZ LYS A 17 5.502 -17.570 9.364 1.00 0.00 N ATOM 0 HA LYS A 17 3.974 -12.498 7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.075 -14.983 5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.427 -13.874 6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.842 -15.714 7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.529 -14.293 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.220 -15.051 8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.472 -16.441 7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.009 -15.847 10.479 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.708 -17.010 10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.649 -18.245 10.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.135 -18.074 8.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.407 -17.117 9.123 1.00 0.00 H new ATOM 125 N SER A 18 2.616 -12.696 4.695 1.00 0.00 N ATOM 126 CA SER A 18 2.409 -11.995 3.439 1.00 0.00 C ATOM 127 C SER A 18 1.904 -10.576 3.661 1.00 0.00 C ATOM 128 O SER A 18 2.251 -9.720 2.933 1.00 0.00 O ATOM 129 CB SER A 18 1.463 -12.754 2.535 1.00 0.00 C ATOM 130 OG SER A 18 1.900 -14.091 2.377 1.00 0.00 O ATOM 0 H SER A 18 2.056 -13.542 4.798 1.00 0.00 H new ATOM 0 HA SER A 18 3.380 -11.933 2.947 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.458 -12.740 2.956 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.408 -12.265 1.562 1.00 0.00 H new ATOM 0 HG SER A 18 1.278 -14.571 1.791 1.00 0.00 H new ATOM 136 N LYS A 19 1.113 -10.345 4.701 1.00 0.00 N ATOM 137 CA LYS A 19 0.610 -9.012 5.015 1.00 0.00 C ATOM 138 C LYS A 19 1.746 -8.095 5.381 1.00 0.00 C ATOM 139 O LYS A 19 1.748 -6.949 5.003 1.00 0.00 O ATOM 140 CB LYS A 19 -0.428 -9.068 6.128 1.00 0.00 C ATOM 141 CG LYS A 19 -1.629 -9.912 5.756 1.00 0.00 C ATOM 142 CD LYS A 19 -2.662 -9.964 6.836 1.00 0.00 C ATOM 143 CE LYS A 19 -3.377 -8.655 7.066 1.00 0.00 C ATOM 144 NZ LYS A 19 -4.401 -8.779 8.123 1.00 0.00 N ATOM 0 H LYS A 19 0.803 -11.071 5.347 1.00 0.00 H new ATOM 0 HA LYS A 19 0.121 -8.613 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.032 -9.473 7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.758 -8.056 6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.080 -9.512 4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.298 -10.925 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.397 -10.728 6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.185 -10.274 7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.654 -7.888 7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.847 -8.327 6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.874 -7.863 8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.103 -9.494 7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.948 -9.068 9.013 1.00 0.00 H new ATOM 158 N GLU A 20 2.737 -8.646 6.044 1.00 0.00 N ATOM 159 CA GLU A 20 3.929 -7.908 6.459 1.00 0.00 C ATOM 160 C GLU A 20 4.742 -7.587 5.233 1.00 0.00 C ATOM 161 O GLU A 20 5.108 -6.440 4.999 1.00 0.00 O ATOM 162 CB GLU A 20 4.747 -8.773 7.373 1.00 0.00 C ATOM 163 CG GLU A 20 3.965 -9.264 8.534 1.00 0.00 C ATOM 164 CD GLU A 20 3.985 -8.311 9.697 1.00 0.00 C ATOM 165 OE1 GLU A 20 3.213 -7.337 9.727 1.00 0.00 O ATOM 166 OE2 GLU A 20 4.784 -8.537 10.622 1.00 0.00 O ATOM 0 H GLU A 20 2.747 -9.629 6.318 1.00 0.00 H new ATOM 0 HA GLU A 20 3.644 -6.991 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.135 -9.624 6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.608 -8.208 7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.933 -9.432 8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.363 -10.227 8.853 1.00 0.00 H new ATOM 173 N VAL A 21 4.972 -8.617 4.431 1.00 0.00 N ATOM 174 CA VAL A 21 5.718 -8.502 3.196 1.00 0.00 C ATOM 175 C VAL A 21 5.005 -7.528 2.283 1.00 0.00 C ATOM 176 O VAL A 21 5.610 -6.626 1.743 1.00 0.00 O ATOM 177 CB VAL A 21 5.859 -9.887 2.491 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.573 -9.765 1.149 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.596 -10.872 3.388 1.00 0.00 C ATOM 0 H VAL A 21 4.641 -9.562 4.625 1.00 0.00 H new ATOM 0 HA VAL A 21 6.721 -8.140 3.422 1.00 0.00 H new ATOM 0 HB VAL A 21 4.853 -10.261 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.652 -10.750 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.007 -9.103 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.571 -9.355 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.684 -11.832 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.591 -10.487 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.041 -11.004 4.317 1.00 0.00 H new ATOM 189 N PHE A 22 3.705 -7.650 2.240 1.00 0.00 N ATOM 190 CA PHE A 22 2.871 -6.846 1.373 1.00 0.00 C ATOM 191 C PHE A 22 2.894 -5.410 1.789 1.00 0.00 C ATOM 192 O PHE A 22 3.220 -4.532 0.977 1.00 0.00 O ATOM 193 CB PHE A 22 1.424 -7.385 1.347 1.00 0.00 C ATOM 194 CG PHE A 22 0.412 -6.369 0.925 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.433 -5.829 -0.336 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.531 -5.926 1.820 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.479 -4.849 -0.689 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.434 -4.970 1.470 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.420 -4.422 0.227 1.00 0.00 C ATOM 0 H PHE A 22 3.185 -8.317 2.811 1.00 0.00 H new ATOM 0 HA PHE A 22 3.276 -6.911 0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.375 -8.237 0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.165 -7.753 2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.163 -6.169 -1.055 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.556 -6.342 2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.455 -4.419 -1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.171 -4.643 2.189 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.137 -3.661 -0.042 1.00 0.00 H new ATOM 209 N ARG A 23 2.584 -5.165 3.049 1.00 0.00 N ATOM 210 CA ARG A 23 2.566 -3.809 3.537 1.00 0.00 C ATOM 211 C ARG A 23 3.951 -3.179 3.427 1.00 0.00 C ATOM 212 O ARG A 23 4.072 -2.009 3.208 1.00 0.00 O ATOM 213 CB ARG A 23 1.977 -3.724 4.964 1.00 0.00 C ATOM 214 CG ARG A 23 2.833 -4.292 6.099 1.00 0.00 C ATOM 215 CD ARG A 23 3.866 -3.292 6.611 1.00 0.00 C ATOM 216 NE ARG A 23 3.258 -2.014 7.012 1.00 0.00 N ATOM 217 CZ ARG A 23 3.925 -0.853 7.153 1.00 0.00 C ATOM 218 NH1 ARG A 23 5.227 -0.796 6.929 1.00 0.00 N ATOM 219 NH2 ARG A 23 3.281 0.245 7.514 1.00 0.00 N ATOM 0 H ARG A 23 2.346 -5.878 3.739 1.00 0.00 H new ATOM 0 HA ARG A 23 1.899 -3.224 2.904 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.772 -2.677 5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.019 -4.244 4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.185 -4.593 6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.343 -5.190 5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.394 -3.723 7.462 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.608 -3.110 5.834 1.00 0.00 H new ATOM 0 HE ARG A 23 2.255 -2.007 7.197 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.733 -1.635 6.647 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.725 0.087 7.038 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.276 0.214 7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.789 1.123 7.620 1.00 0.00 H new ATOM 233 N LYS A 24 4.983 -3.999 3.504 1.00 0.00 N ATOM 234 CA LYS A 24 6.333 -3.515 3.473 1.00 0.00 C ATOM 235 C LYS A 24 6.686 -3.034 2.063 1.00 0.00 C ATOM 236 O LYS A 24 7.228 -1.923 1.885 1.00 0.00 O ATOM 237 CB LYS A 24 7.257 -4.606 3.919 1.00 0.00 C ATOM 238 CG LYS A 24 8.599 -4.125 4.389 1.00 0.00 C ATOM 239 CD LYS A 24 9.449 -5.291 4.823 1.00 0.00 C ATOM 240 CE LYS A 24 8.831 -6.095 5.979 1.00 0.00 C ATOM 241 NZ LYS A 24 8.718 -5.306 7.226 1.00 0.00 N ATOM 0 H LYS A 24 4.900 -5.012 3.589 1.00 0.00 H new ATOM 0 HA LYS A 24 6.438 -2.668 4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.780 -5.163 4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.402 -5.303 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.099 -3.580 3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.474 -3.429 5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.607 -5.954 3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.429 -4.924 5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.842 -6.445 5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.440 -6.980 6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.327 -5.905 7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.659 -4.964 7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.088 -4.494 7.067 1.00 0.00 H new ATOM 255 N GLU A 25 6.328 -3.847 1.053 1.00 0.00 N ATOM 256 CA GLU A 25 6.581 -3.508 -0.345 1.00 0.00 C ATOM 257 C GLU A 25 5.869 -2.260 -0.646 1.00 0.00 C ATOM 258 O GLU A 25 6.427 -1.310 -1.175 1.00 0.00 O ATOM 259 CB GLU A 25 5.931 -4.491 -1.236 1.00 0.00 C ATOM 260 CG GLU A 25 6.266 -5.880 -1.007 1.00 0.00 C ATOM 261 CD GLU A 25 7.529 -6.272 -1.696 1.00 0.00 C ATOM 262 OE1 GLU A 25 8.609 -6.141 -1.095 1.00 0.00 O ATOM 263 OE2 GLU A 25 7.481 -6.678 -2.886 1.00 0.00 O ATOM 0 H GLU A 25 5.862 -4.744 1.187 1.00 0.00 H new ATOM 0 HA GLU A 25 7.660 -3.461 -0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.851 -4.379 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.187 -4.242 -2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.368 -6.056 0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.450 -6.512 -1.358 1.00 0.00 H new ATOM 270 N MET A 26 4.605 -2.313 -0.337 1.00 0.00 N ATOM 271 CA MET A 26 3.687 -1.254 -0.607 1.00 0.00 C ATOM 272 C MET A 26 4.025 0.041 0.117 1.00 0.00 C ATOM 273 O MET A 26 3.903 1.084 -0.453 1.00 0.00 O ATOM 274 CB MET A 26 2.283 -1.720 -0.340 1.00 0.00 C ATOM 275 CG MET A 26 1.221 -0.701 -0.705 1.00 0.00 C ATOM 276 SD MET A 26 1.545 0.139 -2.285 1.00 0.00 S ATOM 277 CE MET A 26 1.198 -1.063 -3.552 1.00 0.00 C ATOM 0 H MET A 26 4.177 -3.117 0.122 1.00 0.00 H new ATOM 0 HA MET A 26 3.773 -1.002 -1.664 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.102 -2.637 -0.901 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.187 -1.968 0.717 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.253 -1.198 -0.758 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.154 0.044 0.088 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.110 -1.278 -4.109 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.829 -1.980 -3.092 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.442 -0.668 -4.231 1.00 0.00 H new ATOM 287 N SER A 27 4.476 -0.033 1.352 1.00 0.00 N ATOM 288 CA SER A 27 4.933 1.144 2.030 1.00 0.00 C ATOM 289 C SER A 27 6.087 1.715 1.281 1.00 0.00 C ATOM 290 O SER A 27 6.148 2.900 1.079 1.00 0.00 O ATOM 291 CB SER A 27 5.300 0.898 3.492 1.00 0.00 C ATOM 292 OG SER A 27 4.149 0.638 4.260 1.00 0.00 O ATOM 0 H SER A 27 4.533 -0.893 1.897 1.00 0.00 H new ATOM 0 HA SER A 27 4.107 1.855 2.052 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.987 0.055 3.562 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.821 1.768 3.892 1.00 0.00 H new ATOM 0 HG SER A 27 3.380 1.096 3.862 1.00 0.00 H new ATOM 298 N GLN A 28 6.957 0.854 0.782 1.00 0.00 N ATOM 299 CA GLN A 28 8.109 1.348 0.026 1.00 0.00 C ATOM 300 C GLN A 28 7.665 1.966 -1.292 1.00 0.00 C ATOM 301 O GLN A 28 8.149 3.038 -1.678 1.00 0.00 O ATOM 302 CB GLN A 28 9.168 0.281 -0.214 1.00 0.00 C ATOM 303 CG GLN A 28 9.850 -0.235 1.036 1.00 0.00 C ATOM 304 CD GLN A 28 10.987 -1.165 0.703 1.00 0.00 C ATOM 305 OE1 GLN A 28 12.124 -0.725 0.520 1.00 0.00 O ATOM 306 NE2 GLN A 28 10.710 -2.438 0.623 1.00 0.00 N ATOM 0 H GLN A 28 6.899 -0.160 0.878 1.00 0.00 H new ATOM 0 HA GLN A 28 8.575 2.117 0.643 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.705 -0.560 -0.731 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.927 0.687 -0.883 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.226 0.605 1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.123 -0.756 1.659 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.756 -2.763 0.781 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.447 -3.107 0.402 1.00 0.00 H new ATOM 315 N PHE A 29 6.750 1.294 -1.949 1.00 0.00 N ATOM 316 CA PHE A 29 6.169 1.726 -3.207 1.00 0.00 C ATOM 317 C PHE A 29 5.442 3.063 -3.033 1.00 0.00 C ATOM 318 O PHE A 29 5.630 3.983 -3.820 1.00 0.00 O ATOM 319 CB PHE A 29 5.218 0.635 -3.726 1.00 0.00 C ATOM 320 CG PHE A 29 4.503 0.961 -5.001 1.00 0.00 C ATOM 321 CD1 PHE A 29 5.090 0.716 -6.225 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.228 1.498 -4.971 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.416 1.002 -7.391 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.559 1.784 -6.124 1.00 0.00 C ATOM 325 CZ PHE A 29 3.146 1.540 -7.333 1.00 0.00 C ATOM 0 H PHE A 29 6.375 0.405 -1.617 1.00 0.00 H new ATOM 0 HA PHE A 29 6.960 1.879 -3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.789 -0.281 -3.874 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.476 0.427 -2.956 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.085 0.297 -6.269 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.756 1.694 -4.020 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.879 0.806 -8.347 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.565 2.204 -6.081 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.615 1.768 -8.246 1.00 0.00 H new ATOM 335 N ILE A 30 4.623 3.155 -2.012 1.00 0.00 N ATOM 336 CA ILE A 30 3.898 4.364 -1.697 1.00 0.00 C ATOM 337 C ILE A 30 4.846 5.464 -1.315 1.00 0.00 C ATOM 338 O ILE A 30 4.698 6.581 -1.777 1.00 0.00 O ATOM 339 CB ILE A 30 2.845 4.148 -0.597 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.739 3.266 -1.144 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.283 5.485 -0.111 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.784 2.767 -0.108 1.00 0.00 C ATOM 0 H ILE A 30 4.439 2.384 -1.370 1.00 0.00 H new ATOM 0 HA ILE A 30 3.360 4.658 -2.598 1.00 0.00 H new ATOM 0 HB ILE A 30 3.310 3.659 0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.182 3.825 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.188 2.411 -1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.540 5.306 0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.092 6.094 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.816 6.008 -0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.025 2.145 -0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.325 2.178 0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.304 3.614 0.382 1.00 0.00 H new ATOM 354 N VAL A 31 5.821 5.150 -0.474 1.00 0.00 N ATOM 355 CA VAL A 31 6.877 6.110 -0.140 1.00 0.00 C ATOM 356 C VAL A 31 7.501 6.669 -1.423 1.00 0.00 C ATOM 357 O VAL A 31 7.616 7.880 -1.586 1.00 0.00 O ATOM 358 CB VAL A 31 7.961 5.457 0.787 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.261 6.259 0.828 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.415 5.346 2.205 1.00 0.00 C ATOM 0 H VAL A 31 5.908 4.246 -0.010 1.00 0.00 H new ATOM 0 HA VAL A 31 6.435 6.937 0.415 1.00 0.00 H new ATOM 0 HB VAL A 31 8.186 4.474 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.975 5.761 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.678 6.327 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.058 7.261 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.167 4.892 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.168 6.340 2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.518 4.726 2.202 1.00 0.00 H new ATOM 370 N GLN A 32 7.822 5.780 -2.346 1.00 0.00 N ATOM 371 CA GLN A 32 8.395 6.127 -3.640 1.00 0.00 C ATOM 372 C GLN A 32 7.443 7.050 -4.405 1.00 0.00 C ATOM 373 O GLN A 32 7.847 8.055 -4.974 1.00 0.00 O ATOM 374 CB GLN A 32 8.586 4.841 -4.422 1.00 0.00 C ATOM 375 CG GLN A 32 9.300 4.979 -5.732 1.00 0.00 C ATOM 376 CD GLN A 32 9.323 3.669 -6.480 1.00 0.00 C ATOM 377 OE1 GLN A 32 8.432 3.380 -7.282 1.00 0.00 O ATOM 378 NE2 GLN A 32 10.296 2.850 -6.201 1.00 0.00 N ATOM 0 H GLN A 32 7.690 4.777 -2.217 1.00 0.00 H new ATOM 0 HA GLN A 32 9.345 6.643 -3.504 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.139 4.137 -3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.606 4.401 -4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.808 5.739 -6.339 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.321 5.320 -5.559 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.016 3.123 -5.532 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.338 1.936 -6.651 1.00 0.00 H new ATOM 387 N CYS A 33 6.180 6.689 -4.376 1.00 0.00 N ATOM 388 CA CYS A 33 5.127 7.430 -5.022 1.00 0.00 C ATOM 389 C CYS A 33 4.912 8.807 -4.409 1.00 0.00 C ATOM 390 O CYS A 33 4.626 9.748 -5.115 1.00 0.00 O ATOM 391 CB CYS A 33 3.840 6.624 -4.987 1.00 0.00 C ATOM 392 SG CYS A 33 3.909 5.100 -5.954 1.00 0.00 S ATOM 0 H CYS A 33 5.852 5.854 -3.891 1.00 0.00 H new ATOM 0 HA CYS A 33 5.431 7.596 -6.055 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.605 6.376 -3.952 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.024 7.243 -5.360 1.00 0.00 H new ATOM 0 HG CYS A 33 4.710 4.255 -5.376 1.00 0.00 H new ATOM 398 N LEU A 34 5.049 8.902 -3.108 1.00 0.00 N ATOM 399 CA LEU A 34 4.884 10.158 -2.384 1.00 0.00 C ATOM 400 C LEU A 34 6.124 11.038 -2.452 1.00 0.00 C ATOM 401 O LEU A 34 6.054 12.228 -2.148 1.00 0.00 O ATOM 402 CB LEU A 34 4.498 9.927 -0.932 1.00 0.00 C ATOM 403 CG LEU A 34 3.166 9.246 -0.673 1.00 0.00 C ATOM 404 CD1 LEU A 34 2.932 9.141 0.815 1.00 0.00 C ATOM 405 CD2 LEU A 34 2.031 10.002 -1.327 1.00 0.00 C ATOM 0 H LEU A 34 5.280 8.109 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 34 4.070 10.683 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.281 9.329 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.489 10.892 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 34 3.198 8.247 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.975 8.652 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.732 8.556 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.919 10.139 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.089 9.491 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.989 11.014 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.196 10.046 -2.404 1.00 0.00 H new ATOM 417 N ASN A 35 7.268 10.448 -2.774 1.00 0.00 N ATOM 418 CA ASN A 35 8.503 11.209 -3.024 1.00 0.00 C ATOM 419 C ASN A 35 8.351 12.517 -3.821 1.00 0.00 C ATOM 420 O ASN A 35 8.844 13.544 -3.377 1.00 0.00 O ATOM 421 CB ASN A 35 9.576 10.343 -3.607 1.00 0.00 C ATOM 422 CG ASN A 35 10.449 9.969 -2.513 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.507 10.550 -2.313 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.971 9.112 -1.717 1.00 0.00 N ATOM 0 H ASN A 35 7.375 9.438 -2.871 1.00 0.00 H new ATOM 0 HA ASN A 35 8.801 11.540 -2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.146 9.459 -4.079 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.130 10.879 -4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.472 8.876 -0.860 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.084 8.656 -1.931 1.00 0.00 H new ATOM 431 N PRO A 36 7.663 12.533 -4.995 1.00 0.00 N ATOM 432 CA PRO A 36 7.459 13.778 -5.753 1.00 0.00 C ATOM 433 C PRO A 36 6.481 14.743 -5.063 1.00 0.00 C ATOM 434 O PRO A 36 6.400 15.919 -5.413 1.00 0.00 O ATOM 435 CB PRO A 36 6.897 13.302 -7.096 1.00 0.00 C ATOM 436 CG PRO A 36 6.281 11.980 -6.804 1.00 0.00 C ATOM 437 CD PRO A 36 7.107 11.368 -5.716 1.00 0.00 C ATOM 0 HA PRO A 36 8.385 14.345 -5.846 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.160 14.004 -7.487 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.684 13.215 -7.845 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.244 12.095 -6.488 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.276 11.348 -7.692 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.503 10.743 -5.059 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.896 10.735 -6.121 1.00 0.00 H new ATOM 445 N TYR A 37 5.770 14.252 -4.079 1.00 0.00 N ATOM 446 CA TYR A 37 4.794 15.053 -3.367 1.00 0.00 C ATOM 447 C TYR A 37 5.433 15.790 -2.234 1.00 0.00 C ATOM 448 O TYR A 37 4.986 16.852 -1.845 1.00 0.00 O ATOM 449 CB TYR A 37 3.652 14.194 -2.843 1.00 0.00 C ATOM 450 CG TYR A 37 2.815 13.578 -3.918 1.00 0.00 C ATOM 451 CD1 TYR A 37 3.232 12.449 -4.579 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.604 14.128 -4.268 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.478 11.883 -5.562 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.834 13.572 -5.241 1.00 0.00 C ATOM 455 CZ TYR A 37 1.274 12.453 -5.893 1.00 0.00 C ATOM 456 OH TYR A 37 0.515 11.911 -6.880 1.00 0.00 O ATOM 0 H TYR A 37 5.847 13.291 -3.747 1.00 0.00 H new ATOM 0 HA TYR A 37 4.388 15.776 -4.075 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.064 13.402 -2.218 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.014 14.805 -2.205 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.178 12.000 -4.314 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.259 15.017 -3.761 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.823 10.997 -6.074 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.119 14.011 -5.497 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.306 12.435 -6.987 1.00 0.00 H new ATOM 466 N ARG A 38 6.500 15.240 -1.708 1.00 0.00 N ATOM 467 CA ARG A 38 7.175 15.869 -0.573 1.00 0.00 C ATOM 468 C ARG A 38 8.145 16.933 -1.038 1.00 0.00 C ATOM 469 O ARG A 38 8.832 17.569 -0.236 1.00 0.00 O ATOM 470 CB ARG A 38 7.890 14.846 0.286 1.00 0.00 C ATOM 471 CG ARG A 38 8.997 14.123 -0.432 1.00 0.00 C ATOM 472 CD ARG A 38 9.713 13.189 0.506 1.00 0.00 C ATOM 473 NE ARG A 38 10.832 12.475 -0.117 1.00 0.00 N ATOM 474 CZ ARG A 38 11.947 12.107 0.535 1.00 0.00 C ATOM 475 NH1 ARG A 38 12.171 12.529 1.774 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.838 11.345 -0.066 1.00 0.00 N ATOM 0 H ARG A 38 6.923 14.371 -2.034 1.00 0.00 H new ATOM 0 HA ARG A 38 6.406 16.343 0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.303 15.345 1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.165 14.116 0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.588 13.561 -1.271 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.702 14.844 -0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.085 13.758 1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.000 12.462 0.895 1.00 0.00 H new ATOM 0 HE ARG A 38 10.759 12.243 -1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.494 13.136 2.236 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.020 12.246 2.264 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.680 11.035 -1.025 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.685 11.065 0.428 1.00 0.00 H new ATOM 490 N LYS A 39 8.217 17.103 -2.322 1.00 0.00 N ATOM 491 CA LYS A 39 9.027 18.140 -2.903 1.00 0.00 C ATOM 492 C LYS A 39 8.303 19.462 -2.712 1.00 0.00 C ATOM 493 O LYS A 39 7.092 19.513 -2.852 1.00 0.00 O ATOM 494 CB LYS A 39 9.243 17.891 -4.400 1.00 0.00 C ATOM 495 CG LYS A 39 9.820 16.532 -4.728 1.00 0.00 C ATOM 496 CD LYS A 39 11.065 16.251 -3.922 1.00 0.00 C ATOM 497 CE LYS A 39 11.660 14.915 -4.277 1.00 0.00 C ATOM 498 NZ LYS A 39 12.224 14.907 -5.646 1.00 0.00 N ATOM 0 H LYS A 39 7.717 16.529 -3.001 1.00 0.00 H new ATOM 0 HA LYS A 39 10.003 18.154 -2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.289 18.002 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.909 18.660 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.075 15.762 -4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.055 16.482 -5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.800 17.037 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.825 16.273 -2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.442 14.664 -3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.894 14.144 -4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.798 14.050 -5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.450 14.917 -6.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.821 15.748 -5.780 1.00 0.00 H new ATOM 512 N PRO A 40 9.022 20.543 -2.403 1.00 0.00 N ATOM 513 CA PRO A 40 8.417 21.874 -2.173 1.00 0.00 C ATOM 514 C PRO A 40 7.737 22.435 -3.426 1.00 0.00 C ATOM 515 O PRO A 40 6.935 23.363 -3.350 1.00 0.00 O ATOM 516 CB PRO A 40 9.618 22.749 -1.800 1.00 0.00 C ATOM 517 CG PRO A 40 10.788 22.037 -2.376 1.00 0.00 C ATOM 518 CD PRO A 40 10.480 20.583 -2.237 1.00 0.00 C ATOM 0 HA PRO A 40 7.637 21.834 -1.413 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.521 23.753 -2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.711 22.856 -0.719 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.936 22.308 -3.421 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.705 22.296 -1.846 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.990 19.987 -2.994 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.787 20.195 -1.266 1.00 0.00 H new ATOM 526 N ASP A 41 8.036 21.838 -4.562 1.00 0.00 N ATOM 527 CA ASP A 41 7.530 22.243 -5.820 1.00 0.00 C ATOM 528 C ASP A 41 6.385 21.337 -6.264 1.00 0.00 C ATOM 529 O ASP A 41 6.001 21.328 -7.431 1.00 0.00 O ATOM 530 CB ASP A 41 8.661 22.228 -6.843 1.00 0.00 C ATOM 531 CG ASP A 41 9.427 20.917 -6.929 1.00 0.00 C ATOM 532 OD1 ASP A 41 10.303 20.669 -6.061 1.00 0.00 O ATOM 533 OD2 ASP A 41 9.237 20.149 -7.901 1.00 0.00 O ATOM 0 H ASP A 41 8.660 21.033 -4.617 1.00 0.00 H new ATOM 0 HA ASP A 41 7.133 23.255 -5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.246 22.455 -7.825 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.362 23.027 -6.600 1.00 0.00 H new ATOM 538 N CYS A 42 5.862 20.553 -5.345 1.00 0.00 N ATOM 539 CA CYS A 42 4.705 19.739 -5.655 1.00 0.00 C ATOM 540 C CYS A 42 3.482 20.639 -5.781 1.00 0.00 C ATOM 541 O CYS A 42 3.137 21.367 -4.847 1.00 0.00 O ATOM 542 CB CYS A 42 4.490 18.665 -4.607 1.00 0.00 C ATOM 543 SG CYS A 42 3.114 17.556 -4.935 1.00 0.00 S ATOM 0 H CYS A 42 6.212 20.462 -4.391 1.00 0.00 H new ATOM 0 HA CYS A 42 4.873 19.227 -6.603 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.402 18.074 -4.520 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.329 19.146 -3.642 1.00 0.00 H new ATOM 0 HG CYS A 42 3.532 16.540 -5.630 1.00 0.00 H new ATOM 549 N LYS A 43 2.863 20.623 -6.942 1.00 0.00 N ATOM 550 CA LYS A 43 1.717 21.463 -7.207 1.00 0.00 C ATOM 551 C LYS A 43 0.480 20.955 -6.498 1.00 0.00 C ATOM 552 O LYS A 43 -0.327 21.753 -6.003 1.00 0.00 O ATOM 553 CB LYS A 43 1.425 21.565 -8.710 1.00 0.00 C ATOM 554 CG LYS A 43 2.470 22.293 -9.549 1.00 0.00 C ATOM 555 CD LYS A 43 2.626 23.745 -9.119 1.00 0.00 C ATOM 556 CE LYS A 43 3.441 24.546 -10.123 1.00 0.00 C ATOM 557 NZ LYS A 43 4.790 23.993 -10.341 1.00 0.00 N ATOM 0 H LYS A 43 3.139 20.030 -7.725 1.00 0.00 H new ATOM 0 HA LYS A 43 1.967 22.453 -6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.309 20.556 -9.106 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.468 22.070 -8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.429 21.782 -9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.185 22.254 -10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.641 24.198 -9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.110 23.785 -8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.909 24.576 -11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.528 25.575 -9.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.339 24.642 -10.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.270 23.878 -9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.714 23.068 -10.811 1.00 0.00 H new ATOM 571 N VAL A 44 0.332 19.652 -6.436 1.00 0.00 N ATOM 572 CA VAL A 44 -0.866 19.052 -5.880 1.00 0.00 C ATOM 573 C VAL A 44 -0.500 17.997 -4.865 1.00 0.00 C ATOM 574 O VAL A 44 0.164 17.012 -5.192 1.00 0.00 O ATOM 575 CB VAL A 44 -1.789 18.428 -6.974 1.00 0.00 C ATOM 576 CG1 VAL A 44 -3.028 17.793 -6.355 1.00 0.00 C ATOM 577 CG2 VAL A 44 -2.205 19.466 -8.004 1.00 0.00 C ATOM 0 H VAL A 44 1.027 18.982 -6.764 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.425 19.854 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.211 17.652 -7.475 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.651 17.367 -7.142 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.727 17.005 -5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.594 18.552 -5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.847 19.000 -8.752 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.749 20.271 -7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.318 19.872 -8.490 1.00 0.00 H new ATOM 587 N GLY A 45 -0.950 18.208 -3.653 1.00 0.00 N ATOM 588 CA GLY A 45 -0.658 17.313 -2.575 1.00 0.00 C ATOM 589 C GLY A 45 0.784 17.440 -2.122 1.00 0.00 C ATOM 590 O GLY A 45 1.495 16.457 -2.031 1.00 0.00 O ATOM 0 H GLY A 45 -1.528 19.007 -3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.323 17.522 -1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.853 16.288 -2.889 1.00 0.00 H new ATOM 594 N ARG A 46 1.234 18.650 -1.868 1.00 0.00 N ATOM 595 CA ARG A 46 2.597 18.862 -1.424 1.00 0.00 C ATOM 596 C ARG A 46 2.701 18.509 0.049 1.00 0.00 C ATOM 597 O ARG A 46 2.022 19.102 0.893 1.00 0.00 O ATOM 598 CB ARG A 46 3.014 20.326 -1.690 1.00 0.00 C ATOM 599 CG ARG A 46 4.517 20.626 -1.599 1.00 0.00 C ATOM 600 CD ARG A 46 5.036 20.799 -0.203 1.00 0.00 C ATOM 601 NE ARG A 46 4.443 21.966 0.445 1.00 0.00 N ATOM 602 CZ ARG A 46 4.667 22.359 1.697 1.00 0.00 C ATOM 603 NH1 ARG A 46 5.488 21.669 2.485 1.00 0.00 N ATOM 604 NH2 ARG A 46 4.073 23.458 2.149 1.00 0.00 N ATOM 0 H ARG A 46 0.679 19.501 -1.961 1.00 0.00 H new ATOM 0 HA ARG A 46 3.279 18.219 -1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.668 20.606 -2.685 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.492 20.966 -0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.066 19.815 -2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.728 21.533 -2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.817 19.906 0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.120 20.906 -0.227 1.00 0.00 H new ATOM 0 HE ARG A 46 3.800 22.530 -0.111 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.951 20.832 2.131 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.654 21.977 3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.453 23.991 1.539 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.237 23.769 3.106 1.00 0.00 H new ATOM 618 N ILE A 47 3.517 17.541 0.347 1.00 0.00 N ATOM 619 CA ILE A 47 3.698 17.093 1.698 1.00 0.00 C ATOM 620 C ILE A 47 4.523 18.079 2.490 1.00 0.00 C ATOM 621 O ILE A 47 5.629 18.472 2.097 1.00 0.00 O ATOM 622 CB ILE A 47 4.270 15.653 1.789 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.345 14.693 1.017 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.413 15.239 3.245 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.842 13.275 0.911 1.00 0.00 C ATOM 0 H ILE A 47 4.078 17.038 -0.341 1.00 0.00 H new ATOM 0 HA ILE A 47 2.707 17.046 2.149 1.00 0.00 H new ATOM 0 HB ILE A 47 5.262 15.616 1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.369 14.684 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.197 15.086 0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.815 14.227 3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.090 15.925 3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.437 15.267 3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.122 12.678 0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.802 13.264 0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.962 12.856 1.910 1.00 0.00 H new ATOM 637 N THR A 48 3.934 18.503 3.558 1.00 0.00 N ATOM 638 CA THR A 48 4.473 19.455 4.471 1.00 0.00 C ATOM 639 C THR A 48 5.761 18.991 5.150 1.00 0.00 C ATOM 640 O THR A 48 6.821 19.631 5.032 1.00 0.00 O ATOM 641 CB THR A 48 3.419 19.706 5.538 1.00 0.00 C ATOM 642 OG1 THR A 48 2.856 18.437 5.910 1.00 0.00 O ATOM 643 CG2 THR A 48 2.333 20.547 4.996 1.00 0.00 C ATOM 0 H THR A 48 3.008 18.174 3.833 1.00 0.00 H new ATOM 0 HA THR A 48 4.727 20.353 3.908 1.00 0.00 H new ATOM 0 HB THR A 48 3.876 20.209 6.390 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.173 18.572 6.600 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.585 20.719 5.770 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.742 21.503 4.668 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.869 20.041 4.149 1.00 0.00 H new ATOM 651 N THR A 49 5.667 17.892 5.844 1.00 0.00 N ATOM 652 CA THR A 49 6.757 17.449 6.648 1.00 0.00 C ATOM 653 C THR A 49 6.970 15.952 6.537 1.00 0.00 C ATOM 654 O THR A 49 6.110 15.229 6.038 1.00 0.00 O ATOM 655 CB THR A 49 6.559 17.883 8.123 1.00 0.00 C ATOM 656 OG1 THR A 49 5.312 18.627 8.269 1.00 0.00 O ATOM 657 CG2 THR A 49 7.720 18.764 8.576 1.00 0.00 C ATOM 0 H THR A 49 4.844 17.290 5.865 1.00 0.00 H new ATOM 0 HA THR A 49 7.661 17.926 6.270 1.00 0.00 H new ATOM 0 HB THR A 49 6.521 16.985 8.740 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.606 18.024 8.581 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.568 19.061 9.614 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.654 18.208 8.491 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.769 19.653 7.947 1.00 0.00 H new ATOM 665 N THR A 50 8.101 15.502 7.014 1.00 0.00 N ATOM 666 CA THR A 50 8.505 14.123 6.941 1.00 0.00 C ATOM 667 C THR A 50 7.564 13.209 7.696 1.00 0.00 C ATOM 668 O THR A 50 7.183 12.162 7.189 1.00 0.00 O ATOM 669 CB THR A 50 9.953 13.974 7.467 1.00 0.00 C ATOM 670 OG1 THR A 50 10.419 12.616 7.393 1.00 0.00 O ATOM 671 CG2 THR A 50 10.110 14.499 8.876 1.00 0.00 C ATOM 0 H THR A 50 8.785 16.101 7.476 1.00 0.00 H new ATOM 0 HA THR A 50 8.466 13.819 5.895 1.00 0.00 H new ATOM 0 HB THR A 50 10.571 14.584 6.809 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.337 12.566 7.733 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.143 14.372 9.199 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.850 15.557 8.901 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.450 13.947 9.546 1.00 0.00 H new ATOM 679 N GLU A 51 7.168 13.619 8.880 1.00 0.00 N ATOM 680 CA GLU A 51 6.266 12.848 9.689 1.00 0.00 C ATOM 681 C GLU A 51 4.924 12.719 8.999 1.00 0.00 C ATOM 682 O GLU A 51 4.252 11.688 9.115 1.00 0.00 O ATOM 683 CB GLU A 51 6.106 13.429 11.107 1.00 0.00 C ATOM 684 CG GLU A 51 5.592 14.865 11.168 1.00 0.00 C ATOM 685 CD GLU A 51 6.660 15.931 11.076 1.00 0.00 C ATOM 686 OE1 GLU A 51 7.527 15.871 10.191 1.00 0.00 O ATOM 687 OE2 GLU A 51 6.617 16.885 11.884 1.00 0.00 O ATOM 0 H GLU A 51 7.465 14.497 9.305 1.00 0.00 H new ATOM 0 HA GLU A 51 6.700 11.855 9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.423 12.792 11.668 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.071 13.384 11.612 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.880 15.015 10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.045 15.000 12.101 1.00 0.00 H new ATOM 694 N ASP A 52 4.567 13.737 8.235 1.00 0.00 N ATOM 695 CA ASP A 52 3.339 13.750 7.475 1.00 0.00 C ATOM 696 C ASP A 52 3.445 12.830 6.313 1.00 0.00 C ATOM 697 O ASP A 52 2.526 12.060 6.031 1.00 0.00 O ATOM 698 CB ASP A 52 3.033 15.155 6.982 1.00 0.00 C ATOM 699 CG ASP A 52 2.551 16.065 8.073 1.00 0.00 C ATOM 700 OD1 ASP A 52 1.364 15.995 8.436 1.00 0.00 O ATOM 701 OD2 ASP A 52 3.355 16.879 8.603 1.00 0.00 O ATOM 0 H ASP A 52 5.129 14.582 8.127 1.00 0.00 H new ATOM 0 HA ASP A 52 2.530 13.418 8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.930 15.580 6.531 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.277 15.103 6.199 1.00 0.00 H new ATOM 706 N PHE A 53 4.587 12.886 5.659 1.00 0.00 N ATOM 707 CA PHE A 53 4.913 12.010 4.566 1.00 0.00 C ATOM 708 C PHE A 53 4.776 10.539 5.027 1.00 0.00 C ATOM 709 O PHE A 53 4.107 9.729 4.387 1.00 0.00 O ATOM 710 CB PHE A 53 6.346 12.312 4.084 1.00 0.00 C ATOM 711 CG PHE A 53 6.915 11.305 3.147 1.00 0.00 C ATOM 712 CD1 PHE A 53 6.749 11.429 1.794 1.00 0.00 C ATOM 713 CD2 PHE A 53 7.617 10.221 3.639 1.00 0.00 C ATOM 714 CE1 PHE A 53 7.268 10.495 0.940 1.00 0.00 C ATOM 715 CE2 PHE A 53 8.133 9.286 2.802 1.00 0.00 C ATOM 716 CZ PHE A 53 7.958 9.422 1.437 1.00 0.00 C ATOM 0 H PHE A 53 5.324 13.556 5.881 1.00 0.00 H new ATOM 0 HA PHE A 53 4.227 12.172 3.734 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.352 13.286 3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.998 12.388 4.954 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.203 12.272 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.757 10.117 4.705 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.134 10.604 -0.126 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.677 8.441 3.199 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.365 8.682 0.764 1.00 0.00 H new ATOM 726 N LYS A 54 5.382 10.249 6.156 1.00 0.00 N ATOM 727 CA LYS A 54 5.375 8.925 6.756 1.00 0.00 C ATOM 728 C LYS A 54 3.980 8.495 7.158 1.00 0.00 C ATOM 729 O LYS A 54 3.584 7.349 6.923 1.00 0.00 O ATOM 730 CB LYS A 54 6.282 8.935 7.979 1.00 0.00 C ATOM 731 CG LYS A 54 7.746 9.138 7.635 1.00 0.00 C ATOM 732 CD LYS A 54 8.576 9.294 8.880 1.00 0.00 C ATOM 733 CE LYS A 54 10.050 9.451 8.565 1.00 0.00 C ATOM 734 NZ LYS A 54 10.604 8.265 7.884 1.00 0.00 N ATOM 0 H LYS A 54 5.905 10.937 6.697 1.00 0.00 H new ATOM 0 HA LYS A 54 5.737 8.211 6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.961 9.727 8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.169 7.993 8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.108 8.288 7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.856 10.022 7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.230 10.163 9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.433 8.425 9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.194 10.329 7.936 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.600 9.627 9.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.643 8.309 7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.287 7.404 8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.273 8.245 6.898 1.00 0.00 H new ATOM 748 N HIS A 55 3.217 9.433 7.701 1.00 0.00 N ATOM 749 CA HIS A 55 1.853 9.174 8.170 1.00 0.00 C ATOM 750 C HIS A 55 0.991 8.791 7.012 1.00 0.00 C ATOM 751 O HIS A 55 0.257 7.789 7.065 1.00 0.00 O ATOM 752 CB HIS A 55 1.277 10.422 8.870 1.00 0.00 C ATOM 753 CG HIS A 55 -0.155 10.298 9.342 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.498 9.737 10.547 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.336 10.657 8.750 1.00 0.00 C ATOM 756 CE1 HIS A 55 -1.800 9.743 10.684 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.336 10.292 9.611 1.00 0.00 N ATOM 0 H HIS A 55 3.522 10.398 7.831 1.00 0.00 H new ATOM 0 HA HIS A 55 1.875 8.356 8.890 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.906 10.659 9.728 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.344 11.266 8.184 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.456 11.136 7.789 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.345 9.362 11.535 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.334 10.423 9.449 1.00 0.00 H new ATOM 765 N LEU A 56 1.079 9.567 5.984 1.00 0.00 N ATOM 766 CA LEU A 56 0.312 9.326 4.827 1.00 0.00 C ATOM 767 C LEU A 56 0.730 8.027 4.183 1.00 0.00 C ATOM 768 O LEU A 56 -0.127 7.188 3.916 1.00 0.00 O ATOM 769 CB LEU A 56 0.422 10.463 3.826 1.00 0.00 C ATOM 770 CG LEU A 56 -0.885 11.053 3.289 1.00 0.00 C ATOM 771 CD1 LEU A 56 -0.690 11.649 1.908 1.00 0.00 C ATOM 772 CD2 LEU A 56 -2.073 10.092 3.373 1.00 0.00 C ATOM 0 H LEU A 56 1.687 10.384 5.931 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.731 9.257 5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.990 11.269 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.007 10.110 2.977 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.157 11.872 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.635 12.060 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.056 12.442 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.351 10.873 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.963 10.579 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.858 9.196 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.245 9.816 4.413 1.00 0.00 H new ATOM 784 N ALA A 57 2.045 7.816 4.000 1.00 0.00 N ATOM 785 CA ALA A 57 2.542 6.599 3.365 1.00 0.00 C ATOM 786 C ALA A 57 2.010 5.363 4.075 1.00 0.00 C ATOM 787 O ALA A 57 1.517 4.419 3.428 1.00 0.00 O ATOM 788 CB ALA A 57 4.061 6.578 3.305 1.00 0.00 C ATOM 0 H ALA A 57 2.773 8.472 4.283 1.00 0.00 H new ATOM 0 HA ALA A 57 2.174 6.590 2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.394 5.657 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.414 7.434 2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.466 6.628 4.316 1.00 0.00 H new ATOM 794 N ARG A 58 2.015 5.408 5.391 1.00 0.00 N ATOM 795 CA ARG A 58 1.585 4.250 6.168 1.00 0.00 C ATOM 796 C ARG A 58 0.069 4.043 6.078 1.00 0.00 C ATOM 797 O ARG A 58 -0.424 2.895 5.898 1.00 0.00 O ATOM 798 CB ARG A 58 2.158 4.258 7.635 1.00 0.00 C ATOM 799 CG ARG A 58 1.647 5.308 8.647 1.00 0.00 C ATOM 800 CD ARG A 58 0.304 4.938 9.271 1.00 0.00 C ATOM 801 NE ARG A 58 -0.036 5.810 10.414 1.00 0.00 N ATOM 802 CZ ARG A 58 -1.160 5.722 11.150 1.00 0.00 C ATOM 803 NH1 ARG A 58 -2.128 4.893 10.788 1.00 0.00 N ATOM 804 NH2 ARG A 58 -1.307 6.468 12.247 1.00 0.00 N ATOM 0 H ARG A 58 2.305 6.215 5.943 1.00 0.00 H new ATOM 0 HA ARG A 58 2.027 3.363 5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.971 3.273 8.064 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.239 4.374 7.562 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.387 5.430 9.438 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.554 6.271 8.146 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.478 5.010 8.515 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.332 3.900 9.603 1.00 0.00 H new ATOM 0 HE ARG A 58 0.634 6.537 10.666 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.022 4.320 9.951 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.979 4.828 11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.566 7.109 12.531 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.161 6.398 12.801 1.00 0.00 H new ATOM 818 N LYS A 59 -0.669 5.147 6.108 1.00 0.00 N ATOM 819 CA LYS A 59 -2.108 5.084 6.035 1.00 0.00 C ATOM 820 C LYS A 59 -2.561 4.570 4.675 1.00 0.00 C ATOM 821 O LYS A 59 -3.457 3.739 4.581 1.00 0.00 O ATOM 822 CB LYS A 59 -2.736 6.450 6.313 1.00 0.00 C ATOM 823 CG LYS A 59 -4.244 6.415 6.221 1.00 0.00 C ATOM 824 CD LYS A 59 -4.882 7.732 6.560 1.00 0.00 C ATOM 825 CE LYS A 59 -6.378 7.592 6.466 1.00 0.00 C ATOM 826 NZ LYS A 59 -7.085 8.760 6.977 1.00 0.00 N ATOM 0 H LYS A 59 -0.288 6.090 6.182 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.444 4.387 6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.442 6.787 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.347 7.178 5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.535 6.126 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.626 5.648 6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.595 8.041 7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.533 8.506 5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.659 7.429 5.426 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.692 6.710 7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.111 8.611 6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.841 8.903 7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.809 9.600 6.430 1.00 0.00 H new ATOM 840 N LEU A 60 -1.927 5.056 3.630 1.00 0.00 N ATOM 841 CA LEU A 60 -2.267 4.673 2.266 1.00 0.00 C ATOM 842 C LEU A 60 -1.962 3.224 2.044 1.00 0.00 C ATOM 843 O LEU A 60 -2.749 2.511 1.404 1.00 0.00 O ATOM 844 CB LEU A 60 -1.521 5.557 1.305 1.00 0.00 C ATOM 845 CG LEU A 60 -1.872 7.013 1.484 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.821 7.931 0.887 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.246 7.303 0.921 1.00 0.00 C ATOM 0 H LEU A 60 -1.162 5.727 3.696 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.335 4.807 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.449 5.423 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.747 5.253 0.283 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.893 7.217 2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.116 8.969 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.138 7.751 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.729 7.733 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.481 8.358 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.261 7.065 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.987 6.695 1.440 1.00 0.00 H new ATOM 859 N THR A 61 -0.829 2.782 2.612 1.00 0.00 N ATOM 860 CA THR A 61 -0.451 1.380 2.569 1.00 0.00 C ATOM 861 C THR A 61 -1.570 0.566 3.151 1.00 0.00 C ATOM 862 O THR A 61 -2.010 -0.431 2.582 1.00 0.00 O ATOM 863 CB THR A 61 0.840 1.102 3.399 1.00 0.00 C ATOM 864 OG1 THR A 61 1.951 1.861 2.894 1.00 0.00 O ATOM 865 CG2 THR A 61 1.194 -0.378 3.365 1.00 0.00 C ATOM 0 H THR A 61 -0.167 3.382 3.103 1.00 0.00 H new ATOM 0 HA THR A 61 -0.256 1.112 1.530 1.00 0.00 H new ATOM 0 HB THR A 61 0.638 1.404 4.427 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.916 2.771 3.255 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.097 -0.550 3.950 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.373 -0.958 3.786 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.365 -0.688 2.334 1.00 0.00 H new ATOM 873 N HIS A 62 -2.090 1.057 4.239 1.00 0.00 N ATOM 874 CA HIS A 62 -3.089 0.320 4.952 1.00 0.00 C ATOM 875 C HIS A 62 -4.476 0.404 4.276 1.00 0.00 C ATOM 876 O HIS A 62 -5.241 -0.544 4.339 1.00 0.00 O ATOM 877 CB HIS A 62 -3.119 0.742 6.418 1.00 0.00 C ATOM 878 CG HIS A 62 -4.012 -0.080 7.297 1.00 0.00 C ATOM 879 ND1 HIS A 62 -3.780 -1.409 7.581 1.00 0.00 N ATOM 880 CD2 HIS A 62 -5.138 0.248 7.947 1.00 0.00 C ATOM 881 CE1 HIS A 62 -4.728 -1.863 8.361 1.00 0.00 C ATOM 882 NE2 HIS A 62 -5.572 -0.873 8.603 1.00 0.00 N ATOM 0 H HIS A 62 -1.841 1.957 4.648 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.815 -0.735 4.920 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.104 0.698 6.814 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.438 1.783 6.474 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -5.615 1.217 7.952 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.808 -2.871 8.741 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.409 -0.935 9.183 1.00 0.00 H new ATOM 890 N GLY A 63 -4.779 1.500 3.610 1.00 0.00 N ATOM 891 CA GLY A 63 -6.083 1.627 2.970 1.00 0.00 C ATOM 892 C GLY A 63 -6.188 0.819 1.694 1.00 0.00 C ATOM 893 O GLY A 63 -7.258 0.306 1.370 1.00 0.00 O ATOM 0 H GLY A 63 -4.159 2.302 3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.858 1.303 3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.273 2.677 2.747 1.00 0.00 H new ATOM 897 N VAL A 64 -5.082 0.691 0.955 1.00 0.00 N ATOM 898 CA VAL A 64 -5.067 -0.179 -0.243 1.00 0.00 C ATOM 899 C VAL A 64 -5.210 -1.613 0.229 1.00 0.00 C ATOM 900 O VAL A 64 -5.975 -2.402 -0.335 1.00 0.00 O ATOM 901 CB VAL A 64 -3.755 -0.029 -1.084 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.699 -1.059 -2.237 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.650 1.380 -1.647 1.00 0.00 C ATOM 0 H VAL A 64 -4.200 1.164 1.152 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.889 0.115 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.912 -0.219 -0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.775 -0.926 -2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.731 -2.068 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.552 -0.910 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.733 1.472 -2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.509 1.581 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.632 2.099 -0.828 1.00 0.00 H new ATOM 913 N MET A 65 -4.572 -1.854 1.356 1.00 0.00 N ATOM 914 CA MET A 65 -4.528 -3.144 2.016 1.00 0.00 C ATOM 915 C MET A 65 -5.920 -3.554 2.442 1.00 0.00 C ATOM 916 O MET A 65 -6.373 -4.646 2.139 1.00 0.00 O ATOM 917 CB MET A 65 -3.598 -3.057 3.214 1.00 0.00 C ATOM 918 CG MET A 65 -3.558 -4.248 4.109 1.00 0.00 C ATOM 919 SD MET A 65 -2.334 -4.002 5.396 1.00 0.00 S ATOM 920 CE MET A 65 -2.639 -5.430 6.366 1.00 0.00 C ATOM 0 H MET A 65 -4.052 -1.133 1.855 1.00 0.00 H new ATOM 0 HA MET A 65 -4.149 -3.900 1.328 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.588 -2.869 2.850 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.888 -2.191 3.810 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.539 -4.412 4.555 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.317 -5.140 3.531 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.149 -5.324 7.334 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.713 -5.547 6.513 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.245 -6.308 5.855 1.00 0.00 H new ATOM 930 N ASN A 66 -6.599 -2.654 3.112 1.00 0.00 N ATOM 931 CA ASN A 66 -7.943 -2.879 3.577 1.00 0.00 C ATOM 932 C ASN A 66 -8.896 -3.068 2.427 1.00 0.00 C ATOM 933 O ASN A 66 -9.731 -3.967 2.463 1.00 0.00 O ATOM 934 CB ASN A 66 -8.403 -1.722 4.432 1.00 0.00 C ATOM 935 CG ASN A 66 -7.798 -1.688 5.789 1.00 0.00 C ATOM 936 OD1 ASN A 66 -7.434 -2.713 6.361 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.706 -0.525 6.330 1.00 0.00 N ATOM 0 H ASN A 66 -6.228 -1.735 3.351 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.938 -3.791 4.173 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.168 -0.790 3.918 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.488 -1.767 4.531 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.319 -0.428 7.269 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.020 0.301 5.820 1.00 0.00 H new ATOM 944 N LYS A 67 -8.751 -2.243 1.406 1.00 0.00 N ATOM 945 CA LYS A 67 -9.612 -2.257 0.233 1.00 0.00 C ATOM 946 C LYS A 67 -9.566 -3.648 -0.407 1.00 0.00 C ATOM 947 O LYS A 67 -10.627 -4.308 -0.643 1.00 0.00 O ATOM 948 CB LYS A 67 -9.108 -1.171 -0.745 1.00 0.00 C ATOM 949 CG LYS A 67 -10.166 -0.471 -1.603 1.00 0.00 C ATOM 950 CD LYS A 67 -10.824 -1.372 -2.625 1.00 0.00 C ATOM 951 CE LYS A 67 -11.846 -0.595 -3.445 1.00 0.00 C ATOM 952 NZ LYS A 67 -11.236 0.515 -4.222 1.00 0.00 N ATOM 0 H LYS A 67 -8.020 -1.532 1.366 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.647 -2.043 0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.582 -0.411 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.377 -1.627 -1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.934 -0.058 -0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.702 0.369 -2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.067 -1.796 -3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.312 -2.206 -2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.351 -1.277 -4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.608 -0.190 -2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.908 0.844 -4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.004 1.301 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.368 0.178 -4.685 1.00 0.00 H new ATOM 966 N GLU A 68 -8.365 -4.141 -0.615 1.00 0.00 N ATOM 967 CA GLU A 68 -8.226 -5.400 -1.215 1.00 0.00 C ATOM 968 C GLU A 68 -8.561 -6.512 -0.296 1.00 0.00 C ATOM 969 O GLU A 68 -9.083 -7.456 -0.723 1.00 0.00 O ATOM 970 CB GLU A 68 -6.937 -5.562 -1.938 1.00 0.00 C ATOM 971 CG GLU A 68 -5.675 -5.313 -1.163 1.00 0.00 C ATOM 972 CD GLU A 68 -4.524 -5.289 -2.109 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.580 -4.480 -3.078 1.00 0.00 O ATOM 974 OE2 GLU A 68 -3.615 -6.127 -1.975 1.00 0.00 O ATOM 0 H GLU A 68 -7.491 -3.675 -0.371 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.981 -5.454 -1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.896 -6.578 -2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.944 -4.889 -2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.742 -4.366 -0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.532 -6.093 -0.415 1.00 0.00 H new ATOM 981 N LEU A 69 -8.282 -6.377 0.967 1.00 0.00 N ATOM 982 CA LEU A 69 -8.759 -7.350 1.959 1.00 0.00 C ATOM 983 C LEU A 69 -10.289 -7.423 2.018 1.00 0.00 C ATOM 984 O LEU A 69 -10.851 -8.423 2.451 1.00 0.00 O ATOM 985 CB LEU A 69 -8.166 -7.093 3.344 1.00 0.00 C ATOM 986 CG LEU A 69 -6.686 -7.432 3.501 1.00 0.00 C ATOM 987 CD1 LEU A 69 -6.168 -6.954 4.838 1.00 0.00 C ATOM 988 CD2 LEU A 69 -6.472 -8.934 3.364 1.00 0.00 C ATOM 0 H LEU A 69 -7.730 -5.612 1.353 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.404 -8.324 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.307 -6.041 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.732 -7.670 4.075 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.132 -6.922 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.111 -7.205 4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.292 -5.873 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.727 -7.438 5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.412 -9.162 3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.040 -9.454 4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.810 -9.262 2.381 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.972 -6.358 1.618 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.428 -6.402 1.548 1.00 0.00 C ATOM 1002 C LYS A 70 -12.859 -7.179 0.339 1.00 0.00 C ATOM 1003 O LYS A 70 -13.819 -7.945 0.381 1.00 0.00 O ATOM 1004 CB LYS A 70 -13.035 -5.011 1.440 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.709 -4.132 2.570 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.412 -2.811 2.473 1.00 0.00 C ATOM 1007 CE LYS A 70 -12.924 -1.878 3.564 1.00 0.00 C ATOM 1008 NZ LYS A 70 -13.099 -2.446 4.921 1.00 0.00 N ATOM 0 H LYS A 70 -10.553 -5.470 1.342 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.774 -6.875 2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.689 -4.545 0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.118 -5.103 1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.986 -4.623 3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.632 -3.968 2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.231 -2.365 1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.489 -2.956 2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.870 -1.655 3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.464 -0.933 3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.944 -1.702 5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.064 -2.822 5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.412 -3.213 5.067 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.182 -6.940 -0.751 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.534 -7.600 -2.029 1.00 0.00 C ATOM 1024 C TYR A 71 -11.926 -8.992 -2.118 1.00 0.00 C ATOM 1025 O TYR A 71 -12.451 -9.892 -2.774 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.117 -6.720 -3.224 1.00 0.00 C ATOM 1027 CG TYR A 71 -12.897 -5.406 -3.325 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -13.404 -4.787 -2.191 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -13.131 -4.800 -4.550 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -14.103 -3.623 -2.259 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -13.842 -3.616 -4.629 1.00 0.00 C ATOM 1032 CZ TYR A 71 -14.323 -3.035 -3.470 1.00 0.00 C ATOM 1033 OH TYR A 71 -15.021 -1.858 -3.521 1.00 0.00 O ATOM 0 H TYR A 71 -11.387 -6.303 -0.805 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.617 -7.721 -2.064 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.053 -6.495 -3.144 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.255 -7.286 -4.146 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.238 -5.243 -1.226 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.754 -5.258 -5.453 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.483 -3.165 -1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.020 -3.150 -5.587 1.00 0.00 H new ATOM 0 HH TYR A 71 -15.095 -1.562 -4.452 1.00 0.00 H new ATOM 1043 N CYS A 72 -10.848 -9.141 -1.450 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.126 -10.353 -1.317 1.00 0.00 C ATOM 1045 C CYS A 72 -9.995 -10.645 0.147 1.00 0.00 C ATOM 1046 O CYS A 72 -9.025 -10.257 0.789 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.741 -10.228 -1.938 1.00 0.00 C ATOM 1048 SG CYS A 72 -8.757 -9.950 -3.719 1.00 0.00 S ATOM 0 H CYS A 72 -10.414 -8.368 -0.945 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.653 -11.156 -1.831 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.212 -9.405 -1.457 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.177 -11.136 -1.728 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.543 -10.013 -4.179 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.997 -11.289 0.674 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.070 -11.632 2.083 1.00 0.00 C ATOM 1056 C LYS A 73 -10.043 -12.688 2.412 1.00 0.00 C ATOM 1057 O LYS A 73 -9.712 -12.937 3.583 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.468 -12.133 2.386 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.555 -11.052 2.232 1.00 0.00 C ATOM 1060 CD LYS A 73 -13.494 -10.033 3.360 1.00 0.00 C ATOM 1061 CE LYS A 73 -14.609 -9.004 3.250 1.00 0.00 C ATOM 1062 NZ LYS A 73 -15.943 -9.635 3.227 1.00 0.00 N ATOM 0 H LYS A 73 -11.805 -11.600 0.135 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.858 -10.754 2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.699 -12.966 1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.494 -12.520 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.432 -10.545 1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.538 -11.523 2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.566 -10.547 4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.529 -9.527 3.341 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.549 -8.313 4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.471 -8.415 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.668 -8.921 3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.120 -10.038 2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.982 -10.391 3.940 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.549 -13.298 1.374 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.553 -14.290 1.472 1.00 0.00 C ATOM 1078 C ASN A 74 -7.250 -13.667 1.022 1.00 0.00 C ATOM 1079 O ASN A 74 -7.077 -13.361 -0.157 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.913 -15.495 0.603 1.00 0.00 C ATOM 1081 CG ASN A 74 -10.316 -16.003 0.890 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -11.287 -15.626 0.214 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -10.458 -16.764 1.924 1.00 0.00 N ATOM 0 H ASN A 74 -9.845 -13.104 0.417 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.464 -14.649 2.497 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.835 -15.220 -0.449 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.194 -16.296 0.777 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.388 -17.073 2.206 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.640 -17.056 2.458 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.314 -13.445 1.953 1.00 0.00 N ATOM 1091 CA PRO A 75 -5.033 -12.772 1.670 1.00 0.00 C ATOM 1092 C PRO A 75 -4.052 -13.572 0.845 1.00 0.00 C ATOM 1093 O PRO A 75 -2.910 -13.190 0.666 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.426 -12.563 2.995 1.00 0.00 C ATOM 1095 CG PRO A 75 -5.101 -13.511 3.940 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.446 -13.803 3.376 1.00 0.00 C ATOM 0 HA PRO A 75 -5.238 -11.873 1.089 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.353 -12.750 2.962 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.559 -11.532 3.322 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.521 -14.427 4.047 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.187 -13.070 4.933 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.714 -14.852 3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.222 -13.215 3.866 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.511 -14.637 0.317 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.754 -15.476 -0.570 1.00 0.00 C ATOM 1106 C GLU A 76 -3.657 -14.764 -1.939 1.00 0.00 C ATOM 1107 O GLU A 76 -3.009 -15.227 -2.891 1.00 0.00 O ATOM 1108 CB GLU A 76 -4.456 -16.825 -0.679 1.00 0.00 C ATOM 1109 CG GLU A 76 -3.652 -17.926 -1.331 1.00 0.00 C ATOM 1110 CD GLU A 76 -4.429 -19.204 -1.384 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -4.691 -19.796 -0.334 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -4.848 -19.618 -2.484 1.00 0.00 O ATOM 0 H GLU A 76 -5.458 -14.976 0.486 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.744 -15.650 -0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.739 -17.150 0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.379 -16.690 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.371 -17.626 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.727 -18.082 -0.776 1.00 0.00 H new ATOM 1119 N ASP A 77 -4.309 -13.622 -2.002 1.00 0.00 N ATOM 1120 CA ASP A 77 -4.314 -12.771 -3.175 1.00 0.00 C ATOM 1121 C ASP A 77 -3.711 -11.430 -2.793 1.00 0.00 C ATOM 1122 O ASP A 77 -3.525 -10.560 -3.609 1.00 0.00 O ATOM 1123 CB ASP A 77 -5.745 -12.579 -3.710 1.00 0.00 C ATOM 1124 CG ASP A 77 -5.793 -11.827 -5.039 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -5.431 -12.423 -6.087 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.214 -10.644 -5.076 1.00 0.00 O ATOM 0 H ASP A 77 -4.860 -13.252 -1.227 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.727 -13.237 -3.966 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.214 -13.555 -3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.333 -12.035 -2.970 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.341 -11.312 -1.542 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.824 -10.112 -1.009 1.00 0.00 C ATOM 1133 C LEU A 78 -1.327 -10.113 -1.245 1.00 0.00 C ATOM 1134 O LEU A 78 -0.548 -10.765 -0.539 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.135 -10.057 0.465 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.735 -8.817 1.170 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.636 -7.658 0.809 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.651 -9.022 2.650 1.00 0.00 C ATOM 0 H LEU A 78 -3.399 -12.073 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.269 -9.239 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.209 -10.194 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.645 -10.901 0.951 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.732 -8.560 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.313 -6.765 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.583 -7.476 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.663 -7.896 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.355 -8.089 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.624 -9.333 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.913 -9.793 2.869 1.00 0.00 H new ATOM 1150 N GLU A 79 -0.964 -9.460 -2.267 1.00 0.00 N ATOM 1151 CA GLU A 79 0.349 -9.386 -2.735 1.00 0.00 C ATOM 1152 C GLU A 79 0.509 -8.013 -3.279 1.00 0.00 C ATOM 1153 O GLU A 79 -0.398 -7.517 -3.907 1.00 0.00 O ATOM 1154 CB GLU A 79 0.453 -10.350 -3.882 1.00 0.00 C ATOM 1155 CG GLU A 79 1.795 -10.454 -4.510 1.00 0.00 C ATOM 1156 CD GLU A 79 2.800 -11.144 -3.633 1.00 0.00 C ATOM 1157 OE1 GLU A 79 3.338 -10.504 -2.728 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.044 -12.344 -3.810 1.00 0.00 O ATOM 0 H GLU A 79 -1.621 -8.927 -2.837 1.00 0.00 H new ATOM 0 HA GLU A 79 1.088 -9.608 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.158 -11.339 -3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.265 -10.056 -4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.709 -10.997 -5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.156 -9.454 -4.751 1.00 0.00 H new ATOM 1165 N CYS A 80 1.645 -7.425 -3.091 1.00 0.00 N ATOM 1166 CA CYS A 80 1.909 -6.121 -3.637 1.00 0.00 C ATOM 1167 C CYS A 80 2.374 -6.331 -5.040 1.00 0.00 C ATOM 1168 O CYS A 80 3.572 -6.315 -5.353 1.00 0.00 O ATOM 1169 CB CYS A 80 2.923 -5.302 -2.794 1.00 0.00 C ATOM 1170 SG CYS A 80 3.421 -3.721 -3.522 1.00 0.00 S ATOM 0 H CYS A 80 2.417 -7.827 -2.559 1.00 0.00 H new ATOM 0 HA CYS A 80 1.002 -5.517 -3.617 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.488 -5.112 -1.813 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.814 -5.909 -2.635 1.00 0.00 H new ATOM 0 HG CYS A 80 4.661 -3.791 -3.905 1.00 0.00 H new ATOM 1176 N ASN A 81 1.431 -6.669 -5.861 1.00 0.00 N ATOM 1177 CA ASN A 81 1.717 -7.017 -7.214 1.00 0.00 C ATOM 1178 C ASN A 81 1.402 -5.837 -8.101 1.00 0.00 C ATOM 1179 O ASN A 81 1.074 -4.770 -7.622 1.00 0.00 O ATOM 1180 CB ASN A 81 0.900 -8.215 -7.664 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.589 -7.874 -7.717 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.042 -7.322 -8.614 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.294 -8.173 -6.759 1.00 0.00 N ATOM 0 H ASN A 81 0.443 -6.711 -5.612 1.00 0.00 H new ATOM 0 HA ASN A 81 2.772 -7.281 -7.286 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.237 -8.541 -8.648 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.062 -9.048 -6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.285 -7.931 -6.760 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.890 -8.664 -5.962 1.00 0.00 H new ATOM 1190 N GLU A 82 1.425 -6.094 -9.371 1.00 0.00 N ATOM 1191 CA GLU A 82 1.173 -5.145 -10.438 1.00 0.00 C ATOM 1192 C GLU A 82 -0.190 -4.475 -10.288 1.00 0.00 C ATOM 1193 O GLU A 82 -0.292 -3.253 -10.283 1.00 0.00 O ATOM 1194 CB GLU A 82 1.133 -5.940 -11.678 1.00 0.00 C ATOM 1195 CG GLU A 82 2.378 -6.715 -11.980 1.00 0.00 C ATOM 1196 CD GLU A 82 2.146 -7.689 -13.087 1.00 0.00 C ATOM 1197 OE1 GLU A 82 1.514 -8.739 -12.846 1.00 0.00 O ATOM 1198 OE2 GLU A 82 2.572 -7.428 -14.225 1.00 0.00 O ATOM 0 H GLU A 82 1.632 -7.028 -9.725 1.00 0.00 H new ATOM 0 HA GLU A 82 1.939 -4.370 -10.430 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.297 -6.636 -11.617 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.930 -5.270 -12.514 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.179 -6.030 -12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.706 -7.246 -11.086 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.204 -5.316 -10.201 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.605 -4.970 -9.990 1.00 0.00 C ATOM 1207 C ASN A 83 -2.694 -4.056 -8.806 1.00 0.00 C ATOM 1208 O ASN A 83 -3.243 -2.932 -8.893 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.397 -6.285 -9.686 1.00 0.00 C ATOM 1210 CG ASN A 83 -4.861 -6.095 -9.356 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -5.499 -5.165 -9.826 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -5.404 -6.993 -8.558 1.00 0.00 N ATOM 0 H ASN A 83 -1.066 -6.324 -10.280 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.019 -4.480 -10.871 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.319 -6.945 -10.550 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.916 -6.795 -8.851 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.392 -6.926 -8.312 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.836 -7.755 -8.186 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.076 -4.490 -7.714 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.130 -3.709 -6.491 1.00 0.00 C ATOM 1221 C VAL A 84 -1.437 -2.374 -6.663 1.00 0.00 C ATOM 1222 O VAL A 84 -2.000 -1.331 -6.322 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.537 -4.463 -5.330 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.463 -3.599 -4.097 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.385 -5.642 -5.061 1.00 0.00 C ATOM 0 H VAL A 84 -1.544 -5.358 -7.652 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.182 -3.524 -6.272 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.522 -4.768 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.031 -4.172 -3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.839 -2.728 -4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.465 -3.271 -3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.973 -6.203 -4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.396 -5.315 -4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.413 -6.279 -5.945 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.235 -2.413 -7.228 1.00 0.00 N ATOM 1236 CA LYS A 85 0.550 -1.205 -7.471 1.00 0.00 C ATOM 1237 C LYS A 85 -0.230 -0.232 -8.266 1.00 0.00 C ATOM 1238 O LYS A 85 -0.362 0.907 -7.878 1.00 0.00 O ATOM 1239 CB LYS A 85 1.831 -1.518 -8.204 1.00 0.00 C ATOM 1240 CG LYS A 85 2.773 -2.325 -7.397 1.00 0.00 C ATOM 1241 CD LYS A 85 3.979 -2.724 -8.181 1.00 0.00 C ATOM 1242 CE LYS A 85 4.703 -3.773 -7.422 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.981 -4.152 -8.053 1.00 0.00 N ATOM 0 H LYS A 85 0.221 -3.274 -7.529 1.00 0.00 H new ATOM 0 HA LYS A 85 0.795 -0.778 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.596 -2.054 -9.123 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.315 -0.585 -8.494 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.082 -1.754 -6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.266 -3.218 -7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.687 -3.099 -9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.625 -1.862 -8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.894 -3.417 -6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.069 -4.656 -7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.445 -4.887 -7.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.801 -4.518 -9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.600 -3.318 -8.113 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.814 -0.734 -9.327 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.618 0.043 -10.264 1.00 0.00 C ATOM 1259 C HIS A 86 -2.685 0.816 -9.499 1.00 0.00 C ATOM 1260 O HIS A 86 -2.765 2.063 -9.566 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.270 -0.911 -11.283 1.00 0.00 C ATOM 1262 CG HIS A 86 -3.060 -0.245 -12.371 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -4.233 -0.758 -12.869 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -2.801 0.856 -13.092 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -4.662 -0.004 -13.850 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -3.808 0.992 -14.013 1.00 0.00 N ATOM 0 H HIS A 86 -0.747 -1.721 -9.577 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.987 0.754 -10.797 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.488 -1.515 -11.743 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.927 -1.595 -10.746 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.954 1.515 -12.970 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.560 -0.168 -14.427 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -3.885 1.736 -14.707 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.420 0.085 -8.700 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.519 0.658 -7.931 1.00 0.00 C ATOM 1276 C LYS A 87 -4.005 1.638 -6.925 1.00 0.00 C ATOM 1277 O LYS A 87 -4.612 2.665 -6.698 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.325 -0.400 -7.218 1.00 0.00 C ATOM 1279 CG LYS A 87 -5.967 -1.419 -8.110 1.00 0.00 C ATOM 1280 CD LYS A 87 -6.708 -2.417 -7.277 1.00 0.00 C ATOM 1281 CE LYS A 87 -7.336 -3.485 -8.125 1.00 0.00 C ATOM 1282 NZ LYS A 87 -8.006 -4.499 -7.306 1.00 0.00 N ATOM 0 H LYS A 87 -3.284 -0.916 -8.558 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.169 1.164 -8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.674 -0.916 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.103 0.091 -6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.650 -0.931 -8.805 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.208 -1.922 -8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.024 -2.874 -6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.480 -1.909 -6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.056 -3.033 -8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.571 -3.960 -8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.428 -5.221 -7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.313 -4.947 -6.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.753 -4.049 -6.739 1.00 0.00 H new ATOM 1296 N THR A 88 -2.864 1.354 -6.411 1.00 0.00 N ATOM 1297 CA THR A 88 -2.304 2.077 -5.372 1.00 0.00 C ATOM 1298 C THR A 88 -1.888 3.413 -5.825 1.00 0.00 C ATOM 1299 O THR A 88 -2.402 4.394 -5.354 1.00 0.00 O ATOM 1300 CB THR A 88 -1.125 1.330 -4.823 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.575 0.173 -4.140 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.299 2.216 -3.945 1.00 0.00 C ATOM 0 H THR A 88 -2.286 0.576 -6.729 1.00 0.00 H new ATOM 0 HA THR A 88 -3.053 2.203 -4.591 1.00 0.00 H new ATOM 0 HB THR A 88 -0.482 1.011 -5.643 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.913 -0.479 -4.789 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.551 1.654 -3.557 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.062 3.067 -4.523 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.907 2.574 -3.114 1.00 0.00 H new ATOM 1310 N LYS A 89 -1.007 3.453 -6.771 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.506 4.688 -7.215 1.00 0.00 C ATOM 1312 C LYS A 89 -1.573 5.552 -7.866 1.00 0.00 C ATOM 1313 O LYS A 89 -1.562 6.762 -7.705 1.00 0.00 O ATOM 1314 CB LYS A 89 0.774 4.521 -8.031 1.00 0.00 C ATOM 1315 CG LYS A 89 0.792 3.328 -8.965 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.089 3.461 -10.128 1.00 0.00 C ATOM 1317 CE LYS A 89 0.397 4.561 -11.057 1.00 0.00 C ATOM 1318 NZ LYS A 89 1.760 4.291 -11.603 1.00 0.00 N ATOM 0 H LYS A 89 -0.626 2.635 -7.245 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.206 5.259 -6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.932 5.425 -8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.616 4.437 -7.344 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.813 3.169 -9.313 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.504 2.438 -8.405 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.129 2.515 -10.668 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.104 3.682 -9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.306 4.671 -11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.407 5.509 -10.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.929 4.897 -12.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.473 4.495 -10.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.829 3.292 -11.885 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.539 4.916 -8.554 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.678 5.689 -9.100 1.00 0.00 C ATOM 1334 C GLU A 90 -4.562 6.229 -7.978 1.00 0.00 C ATOM 1335 O GLU A 90 -5.091 7.371 -8.061 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.536 4.896 -10.057 1.00 0.00 C ATOM 1337 CG GLU A 90 -3.841 4.458 -11.318 1.00 0.00 C ATOM 1338 CD GLU A 90 -4.827 3.986 -12.340 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -5.612 3.066 -12.047 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -4.880 4.576 -13.440 1.00 0.00 O ATOM 0 H GLU A 90 -2.561 3.914 -8.742 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.230 6.512 -9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.910 4.012 -9.540 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.404 5.498 -10.328 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.260 5.287 -11.724 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.137 3.657 -11.090 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.665 5.452 -6.900 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.452 5.842 -5.750 1.00 0.00 C ATOM 1349 C TYR A 91 -4.776 6.992 -5.108 1.00 0.00 C ATOM 1350 O TYR A 91 -5.394 7.970 -4.829 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.594 4.684 -4.751 1.00 0.00 C ATOM 1352 CG TYR A 91 -6.004 5.080 -3.351 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.256 5.612 -3.073 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -5.115 4.915 -2.306 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.605 5.964 -1.783 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.445 5.253 -1.026 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.698 5.779 -0.760 1.00 0.00 C ATOM 1358 OH TYR A 91 -7.050 6.113 0.539 1.00 0.00 O ATOM 0 H TYR A 91 -4.207 4.545 -6.808 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.457 6.115 -6.070 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.329 3.979 -5.140 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.642 4.155 -4.696 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.966 5.752 -3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.135 4.509 -2.507 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.580 6.381 -1.577 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.734 5.111 -0.226 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.301 5.921 1.141 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.482 6.842 -4.909 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.617 7.884 -4.359 1.00 0.00 C ATOM 1370 C ILE A 92 -2.792 9.184 -5.093 1.00 0.00 C ATOM 1371 O ILE A 92 -3.020 10.212 -4.454 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.137 7.463 -4.446 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.858 6.255 -3.546 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.205 8.643 -4.132 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.525 6.584 -2.151 1.00 0.00 C ATOM 0 H ILE A 92 -2.986 5.978 -5.127 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.902 8.021 -3.316 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.930 7.157 -5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.734 5.606 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.035 5.683 -3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.832 8.316 -4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.381 9.446 -4.848 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.404 9.006 -3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.344 5.665 -1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.371 7.205 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.354 7.127 -1.697 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.680 9.136 -6.423 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.851 10.317 -7.244 1.00 0.00 C ATOM 1389 C LYS A 93 -4.155 10.965 -6.882 1.00 0.00 C ATOM 1390 O LYS A 93 -4.192 12.063 -6.306 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.867 9.966 -8.757 1.00 0.00 C ATOM 1392 CG LYS A 93 -1.590 9.339 -9.289 1.00 0.00 C ATOM 1393 CD LYS A 93 -0.438 10.291 -9.165 1.00 0.00 C ATOM 1394 CE LYS A 93 0.887 9.627 -9.437 1.00 0.00 C ATOM 1395 NZ LYS A 93 1.994 10.549 -9.147 1.00 0.00 N ATOM 0 H LYS A 93 -2.471 8.286 -6.946 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.012 10.989 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.695 9.282 -8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.069 10.876 -9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.372 8.424 -8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.725 9.058 -10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.577 11.118 -9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.429 10.717 -8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.983 8.730 -8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.934 9.309 -10.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.842 10.004 -8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.194 11.127 -9.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.730 11.170 -8.356 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.192 10.187 -7.007 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.525 10.699 -6.902 1.00 0.00 C ATOM 1411 C LYS A 94 -6.788 11.176 -5.488 1.00 0.00 C ATOM 1412 O LYS A 94 -7.516 12.151 -5.268 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.535 9.636 -7.353 1.00 0.00 C ATOM 1414 CG LYS A 94 -8.986 10.096 -7.406 1.00 0.00 C ATOM 1415 CD LYS A 94 -9.930 9.013 -7.957 1.00 0.00 C ATOM 1416 CE LYS A 94 -10.313 7.910 -6.950 1.00 0.00 C ATOM 1417 NZ LYS A 94 -9.169 7.107 -6.454 1.00 0.00 N ATOM 0 H LYS A 94 -5.136 9.184 -7.184 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.641 11.558 -7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.247 9.282 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.466 8.783 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.310 10.380 -6.405 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.058 10.987 -8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.842 9.493 -8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.458 8.547 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.814 8.371 -6.098 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.034 7.241 -7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.499 6.155 -6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.448 7.033 -7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.757 7.569 -5.618 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.166 10.513 -4.550 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.287 10.863 -3.208 1.00 0.00 C ATOM 1433 C TYR A 95 -5.641 12.213 -2.929 1.00 0.00 C ATOM 1434 O TYR A 95 -6.252 13.072 -2.380 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.695 9.772 -2.343 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.635 10.176 -0.905 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.789 10.215 -0.125 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.451 10.599 -0.344 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.750 10.664 1.164 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.413 11.034 0.945 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.561 11.074 1.694 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.503 11.530 2.975 1.00 0.00 O ATOM 0 H TYR A 95 -5.561 9.711 -4.724 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.344 10.963 -2.963 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.292 8.866 -2.441 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.692 9.533 -2.696 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.727 9.885 -0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.545 10.586 -0.932 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.651 10.694 1.758 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.476 11.349 1.379 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.171 10.818 3.561 1.00 0.00 H new ATOM 1452 N MET A 96 -4.420 12.400 -3.335 1.00 0.00 N ATOM 1453 CA MET A 96 -3.740 13.622 -3.051 1.00 0.00 C ATOM 1454 C MET A 96 -4.340 14.805 -3.781 1.00 0.00 C ATOM 1455 O MET A 96 -4.161 15.958 -3.369 1.00 0.00 O ATOM 1456 CB MET A 96 -2.272 13.485 -3.301 1.00 0.00 C ATOM 1457 CG MET A 96 -1.671 12.329 -2.506 1.00 0.00 C ATOM 1458 SD MET A 96 -0.009 12.611 -1.947 1.00 0.00 S ATOM 1459 CE MET A 96 -0.284 14.055 -0.964 1.00 0.00 C ATOM 0 H MET A 96 -3.876 11.719 -3.865 1.00 0.00 H new ATOM 0 HA MET A 96 -3.876 13.830 -1.990 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.097 13.325 -4.365 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.768 14.413 -3.031 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.304 12.131 -1.641 1.00 0.00 H new ATOM 0 HG3 MET A 96 -1.686 11.432 -3.124 1.00 0.00 H new ATOM 0 HE1 MET A 96 0.449 14.091 -0.158 1.00 0.00 H new ATOM 0 HE2 MET A 96 -0.183 14.944 -1.587 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.288 14.021 -0.541 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.113 14.515 -4.830 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.783 15.573 -5.579 1.00 0.00 C ATOM 1471 C GLN A 97 -6.840 16.259 -4.720 1.00 0.00 C ATOM 1472 O GLN A 97 -7.232 17.394 -4.994 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.431 15.077 -6.880 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.541 14.220 -7.763 1.00 0.00 C ATOM 1475 CD GLN A 97 -4.147 14.774 -7.972 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -3.894 15.538 -8.898 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.226 14.333 -7.135 1.00 0.00 N ATOM 0 H GLN A 97 -5.287 13.571 -5.174 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.003 16.284 -5.852 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.323 14.504 -6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.760 15.942 -7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.462 13.226 -7.322 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.021 14.100 -8.734 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.485 13.698 -6.380 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.255 14.627 -7.244 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.278 15.588 -3.665 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.325 16.137 -2.828 1.00 0.00 C ATOM 1488 C LYS A 98 -7.792 17.214 -1.894 1.00 0.00 C ATOM 1489 O LYS A 98 -8.542 18.072 -1.451 1.00 0.00 O ATOM 1490 CB LYS A 98 -9.044 15.068 -1.999 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.189 14.452 -0.886 1.00 0.00 C ATOM 1492 CD LYS A 98 -9.010 13.879 0.227 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.795 14.948 0.959 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.815 14.362 1.836 1.00 0.00 N ATOM 0 H LYS A 98 -6.928 14.675 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.046 16.578 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.936 15.509 -1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.380 14.273 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.561 13.668 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.521 15.214 -0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.698 13.135 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.357 13.362 0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.114 15.560 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.272 15.610 0.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.333 15.122 2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.479 13.798 1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.357 13.750 2.541 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.503 17.163 -1.589 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.918 18.128 -0.666 1.00 0.00 C ATOM 1510 C PHE A 99 -5.789 19.488 -1.322 1.00 0.00 C ATOM 1511 O PHE A 99 -6.055 20.526 -0.707 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.546 17.674 -0.154 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.545 16.466 0.741 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.215 16.489 1.956 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.838 15.324 0.394 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.186 15.400 2.800 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.810 14.236 1.241 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.488 14.287 2.442 1.00 0.00 C ATOM 0 H PHE A 99 -5.849 16.474 -1.961 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.593 18.199 0.187 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.910 17.465 -1.014 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.089 18.503 0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.766 17.372 2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.306 15.287 -0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.715 15.429 3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.260 13.348 0.966 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.465 13.435 3.105 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.396 19.474 -2.561 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.202 20.672 -3.275 1.00 0.00 C ATOM 1530 C GLY A 100 -3.751 20.897 -3.453 1.00 0.00 C ATOM 1531 O GLY A 100 -3.043 20.010 -3.898 1.00 0.00 O ATOM 0 H GLY A 100 -5.205 18.625 -3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.696 20.616 -4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.649 21.508 -2.737 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.295 22.025 -3.045 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.908 22.369 -3.178 1.00 0.00 C ATOM 1537 C ALA A 101 -1.063 21.666 -2.128 1.00 0.00 C ATOM 1538 O ALA A 101 -0.049 21.058 -2.450 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.729 23.873 -3.093 1.00 0.00 C ATOM 0 H ALA A 101 -3.868 22.746 -2.606 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.567 22.032 -4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.672 24.120 -3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.293 24.352 -3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.093 24.229 -2.129 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.502 21.689 -0.889 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.684 21.147 0.186 1.00 0.00 C ATOM 1547 C VAL A 102 -1.426 19.996 0.835 1.00 0.00 C ATOM 1548 O VAL A 102 -2.657 19.947 0.817 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.353 22.198 1.271 1.00 0.00 C ATOM 1550 CG1 VAL A 102 0.904 21.859 2.032 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -0.323 23.611 0.732 1.00 0.00 C ATOM 0 H VAL A 102 -2.403 22.069 -0.599 1.00 0.00 H new ATOM 0 HA VAL A 102 0.258 20.818 -0.254 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.177 22.160 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.094 22.627 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.783 20.894 2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.746 21.811 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.086 24.304 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.436 23.687 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.298 23.862 0.314 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.675 19.101 1.402 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.188 17.962 2.081 1.00 0.00 C ATOM 1563 C TYR A 103 -1.619 18.375 3.466 1.00 0.00 C ATOM 1564 O TYR A 103 -0.805 18.591 4.359 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.149 16.810 2.079 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.368 15.693 3.096 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.620 15.282 3.463 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.703 15.076 3.694 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.812 14.308 4.402 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.527 14.083 4.629 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.733 13.709 4.986 1.00 0.00 C ATOM 1572 OH TYR A 103 -0.914 12.744 5.955 1.00 0.00 O ATOM 0 H TYR A 103 0.344 19.150 1.402 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.064 17.571 1.564 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.133 16.367 1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.838 17.240 2.252 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.480 15.740 2.998 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.705 15.377 3.424 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.813 14.013 4.681 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.384 13.602 5.078 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.041 12.422 6.263 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.889 18.547 3.593 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.512 18.901 4.831 1.00 0.00 C ATOM 1584 C LYS A 104 -4.388 17.740 5.292 1.00 0.00 C ATOM 1585 O LYS A 104 -5.533 17.651 4.887 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.368 20.138 4.614 1.00 0.00 C ATOM 1587 CG LYS A 104 -3.592 21.349 4.110 1.00 0.00 C ATOM 1588 CD LYS A 104 -4.515 22.506 3.766 1.00 0.00 C ATOM 1589 CE LYS A 104 -5.453 22.168 2.604 1.00 0.00 C ATOM 1590 NZ LYS A 104 -6.345 23.295 2.276 1.00 0.00 N ATOM 0 H LYS A 104 -3.546 18.443 2.819 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.758 19.110 5.590 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.156 19.901 3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.857 20.398 5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.879 21.666 4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.015 21.070 3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.106 22.771 4.643 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.918 23.381 3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.864 21.903 1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.051 21.294 2.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.965 23.028 1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.925 23.531 3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.775 24.122 2.006 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.853 16.818 6.110 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.591 15.614 6.567 1.00 0.00 C ATOM 1606 C PRO A 105 -5.863 15.954 7.364 1.00 0.00 C ATOM 1607 O PRO A 105 -6.730 15.129 7.539 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.590 14.845 7.407 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.514 15.817 7.713 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.489 16.843 6.627 1.00 0.00 C ATOM 0 HA PRO A 105 -4.958 15.033 5.721 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.050 14.466 8.320 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.200 13.983 6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.692 16.290 8.679 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.551 15.310 7.779 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.222 17.828 7.010 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.761 16.594 5.855 1.00 0.00 H new