USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 501 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: C 20 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: C 22 THR OG1 : rot 180:sc= 0.157 USER MOD Set 2.1: C 18 SER OG : rot 164:sc= 1.19 USER MOD Set 2.2: C 25 SER OG : rot 180:sc= 0.0495 USER MOD Single : C 9 THR OG1 : rot 2:sc= 0.905 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 72:sc= 0.0201 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : C 36 ASN : amide:sc= -0.625 X(o=-0.63,f=-0.16) USER MOD Single : C 37 ASN : amide:sc= -3.21 K(o=-3.2,f=-11!) USER MOD Single : C 38 THR OG1 : rot -33:sc= 0.0993! USER MOD Single : C 46 HIS : no HD1:sc= -3.93! K(o=-3.9!,f=-2.1) USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0 USER MOD Single : C 52 GLN : amide:sc= -0.209 K(o=-0.21,f=-3.2!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot 180:sc= 0 USER MOD Single : C 59 ASN : amide:sc= -3.54 K(o=-3.5,f=-10!) USER MOD Single : C 60 TYR OH : rot -15:sc= -2! USER MOD Single : C 64 SER OG : rot 180:sc= -2.09 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 13.120 30.359 -7.292 1.00 0.00 N ATOM 2 CA THR C 9 13.878 29.172 -6.806 1.00 0.00 C ATOM 3 C THR C 9 12.985 28.341 -5.883 1.00 0.00 C ATOM 4 O THR C 9 11.885 28.733 -5.547 1.00 0.00 O ATOM 5 CB THR C 9 15.116 29.637 -6.036 1.00 0.00 C ATOM 6 OG1 THR C 9 15.311 31.027 -6.253 1.00 0.00 O ATOM 7 CG2 THR C 9 16.343 28.865 -6.525 1.00 0.00 C ATOM 0 HA THR C 9 14.187 28.565 -7.657 1.00 0.00 H new ATOM 0 HB THR C 9 14.974 29.451 -4.971 1.00 0.00 H new ATOM 0 HG1 THR C 9 14.591 31.374 -6.821 1.00 0.00 H new ATOM 0 HG21 THR C 9 17.224 29.197 -5.976 1.00 0.00 H new ATOM 0 HG22 THR C 9 16.192 27.798 -6.358 1.00 0.00 H new ATOM 0 HG23 THR C 9 16.488 29.049 -7.590 1.00 0.00 H new ATOM 15 N PHE C 10 13.449 27.193 -5.468 1.00 0.00 N ATOM 16 CA PHE C 10 12.626 26.339 -4.567 1.00 0.00 C ATOM 17 C PHE C 10 13.117 26.496 -3.127 1.00 0.00 C ATOM 18 O PHE C 10 14.057 27.217 -2.857 1.00 0.00 O ATOM 19 CB PHE C 10 12.757 24.874 -4.993 1.00 0.00 C ATOM 20 CG PHE C 10 11.793 24.591 -6.147 1.00 0.00 C ATOM 21 CD1 PHE C 10 11.703 25.465 -7.214 1.00 0.00 C ATOM 22 CD2 PHE C 10 11.001 23.457 -6.137 1.00 0.00 C ATOM 23 CE1 PHE C 10 10.833 25.210 -8.255 1.00 0.00 C ATOM 24 CE2 PHE C 10 10.132 23.202 -7.178 1.00 0.00 C ATOM 25 CZ PHE C 10 10.049 24.079 -8.237 1.00 0.00 C ATOM 0 H PHE C 10 14.362 26.811 -5.714 1.00 0.00 H new ATOM 0 HA PHE C 10 11.582 26.645 -4.631 1.00 0.00 H new ATOM 0 HB2 PHE C 10 13.781 24.664 -5.301 1.00 0.00 H new ATOM 0 HB3 PHE C 10 12.536 24.218 -4.151 1.00 0.00 H new ATOM 0 HD1 PHE C 10 12.317 26.353 -7.233 1.00 0.00 H new ATOM 0 HD2 PHE C 10 11.063 22.767 -5.309 1.00 0.00 H new ATOM 0 HE1 PHE C 10 10.768 25.899 -9.084 1.00 0.00 H new ATOM 0 HE2 PHE C 10 9.517 22.315 -7.163 1.00 0.00 H new ATOM 0 HZ PHE C 10 9.369 23.879 -9.052 1.00 0.00 H new ATOM 35 N VAL C 11 12.488 25.828 -2.198 1.00 0.00 N ATOM 36 CA VAL C 11 12.921 25.941 -0.777 1.00 0.00 C ATOM 37 C VAL C 11 12.853 24.564 -0.111 1.00 0.00 C ATOM 38 O VAL C 11 11.963 23.781 -0.375 1.00 0.00 O ATOM 39 CB VAL C 11 11.996 26.911 -0.037 1.00 0.00 C ATOM 40 CG1 VAL C 11 12.593 27.240 1.333 1.00 0.00 C ATOM 41 CG2 VAL C 11 11.849 28.197 -0.853 1.00 0.00 C ATOM 0 H VAL C 11 11.694 25.210 -2.362 1.00 0.00 H new ATOM 0 HA VAL C 11 13.945 26.313 -0.738 1.00 0.00 H new ATOM 0 HB VAL C 11 11.017 26.451 0.095 1.00 0.00 H new ATOM 0 HG11 VAL C 11 11.935 27.931 1.860 1.00 0.00 H new ATOM 0 HG12 VAL C 11 12.698 26.324 1.914 1.00 0.00 H new ATOM 0 HG13 VAL C 11 13.572 27.701 1.202 1.00 0.00 H new ATOM 0 HG21 VAL C 11 11.191 28.888 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL C 11 12.828 28.658 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL C 11 11.424 27.962 -1.829 1.00 0.00 H new ATOM 51 N ALA C 12 13.786 24.266 0.752 1.00 0.00 N ATOM 52 CA ALA C 12 13.774 22.941 1.432 1.00 0.00 C ATOM 53 C ALA C 12 12.658 22.910 2.478 1.00 0.00 C ATOM 54 O ALA C 12 12.849 23.289 3.616 1.00 0.00 O ATOM 55 CB ALA C 12 15.122 22.709 2.119 1.00 0.00 C ATOM 0 H ALA C 12 14.555 24.883 1.015 1.00 0.00 H new ATOM 0 HA ALA C 12 13.600 22.158 0.694 1.00 0.00 H new ATOM 0 HB1 ALA C 12 15.114 21.739 2.617 1.00 0.00 H new ATOM 0 HB2 ALA C 12 15.918 22.728 1.374 1.00 0.00 H new ATOM 0 HB3 ALA C 12 15.295 23.494 2.855 1.00 0.00 H new ATOM 61 N LEU C 13 11.492 22.461 2.102 1.00 0.00 N ATOM 62 CA LEU C 13 10.363 22.405 3.072 1.00 0.00 C ATOM 63 C LEU C 13 10.830 21.721 4.358 1.00 0.00 C ATOM 64 O LEU C 13 10.259 21.911 5.414 1.00 0.00 O ATOM 65 CB LEU C 13 9.206 21.613 2.461 1.00 0.00 C ATOM 66 CG LEU C 13 8.671 22.359 1.238 1.00 0.00 C ATOM 67 CD1 LEU C 13 7.449 21.622 0.684 1.00 0.00 C ATOM 68 CD2 LEU C 13 8.270 23.779 1.644 1.00 0.00 C ATOM 0 H LEU C 13 11.272 22.130 1.163 1.00 0.00 H new ATOM 0 HA LEU C 13 10.028 23.417 3.301 1.00 0.00 H new ATOM 0 HB2 LEU C 13 9.544 20.617 2.174 1.00 0.00 H new ATOM 0 HB3 LEU C 13 8.412 21.481 3.196 1.00 0.00 H new ATOM 0 HG LEU C 13 9.445 22.404 0.472 1.00 0.00 H new ATOM 0 HD11 LEU C 13 7.068 22.154 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU C 13 7.734 20.610 0.396 1.00 0.00 H new ATOM 0 HD13 LEU C 13 6.674 21.577 1.449 1.00 0.00 H new ATOM 0 HD21 LEU C 13 7.888 24.312 0.773 1.00 0.00 H new ATOM 0 HD22 LEU C 13 7.496 23.734 2.410 1.00 0.00 H new ATOM 0 HD23 LEU C 13 9.140 24.304 2.038 1.00 0.00 H new ATOM 80 N TYR C 14 11.863 20.926 4.281 1.00 0.00 N ATOM 81 CA TYR C 14 12.360 20.233 5.503 1.00 0.00 C ATOM 82 C TYR C 14 13.861 19.967 5.371 1.00 0.00 C ATOM 83 O TYR C 14 14.443 20.147 4.320 1.00 0.00 O ATOM 84 CB TYR C 14 11.616 18.910 5.668 1.00 0.00 C ATOM 85 CG TYR C 14 10.112 19.169 5.571 1.00 0.00 C ATOM 86 CD1 TYR C 14 9.485 19.197 4.343 1.00 0.00 C ATOM 87 CD2 TYR C 14 9.366 19.388 6.709 1.00 0.00 C ATOM 88 CE1 TYR C 14 8.130 19.442 4.254 1.00 0.00 C ATOM 89 CE2 TYR C 14 8.011 19.632 6.621 1.00 0.00 C ATOM 90 CZ TYR C 14 7.382 19.660 5.392 1.00 0.00 C ATOM 91 OH TYR C 14 6.026 19.901 5.305 1.00 0.00 O ATOM 0 H TYR C 14 12.383 20.727 3.426 1.00 0.00 H new ATOM 0 HA TYR C 14 12.185 20.862 6.376 1.00 0.00 H new ATOM 0 HB2 TYR C 14 11.927 18.205 4.897 1.00 0.00 H new ATOM 0 HB3 TYR C 14 11.859 18.459 6.630 1.00 0.00 H new ATOM 0 HD1 TYR C 14 10.059 19.026 3.444 1.00 0.00 H new ATOM 0 HD2 TYR C 14 9.846 19.368 7.676 1.00 0.00 H new ATOM 0 HE1 TYR C 14 7.652 19.463 3.286 1.00 0.00 H new ATOM 0 HE2 TYR C 14 7.438 19.802 7.520 1.00 0.00 H new ATOM 0 HH TYR C 14 5.659 20.031 6.204 1.00 0.00 H new ATOM 101 N ASP C 15 14.490 19.538 6.431 1.00 0.00 N ATOM 102 CA ASP C 15 15.953 19.259 6.369 1.00 0.00 C ATOM 103 C ASP C 15 16.191 17.895 5.719 1.00 0.00 C ATOM 104 O ASP C 15 15.796 16.871 6.242 1.00 0.00 O ATOM 105 CB ASP C 15 16.530 19.255 7.785 1.00 0.00 C ATOM 106 CG ASP C 15 16.094 20.525 8.519 1.00 0.00 C ATOM 107 OD1 ASP C 15 14.897 20.728 8.648 1.00 0.00 O ATOM 108 OD2 ASP C 15 16.962 21.271 8.938 1.00 0.00 O ATOM 0 H ASP C 15 14.054 19.369 7.337 1.00 0.00 H new ATOM 0 HA ASP C 15 16.443 20.031 5.776 1.00 0.00 H new ATOM 0 HB2 ASP C 15 16.186 18.374 8.326 1.00 0.00 H new ATOM 0 HB3 ASP C 15 17.618 19.201 7.745 1.00 0.00 H new ATOM 113 N TYR C 16 16.836 17.872 4.584 1.00 0.00 N ATOM 114 CA TYR C 16 17.100 16.573 3.902 1.00 0.00 C ATOM 115 C TYR C 16 18.486 16.061 4.300 1.00 0.00 C ATOM 116 O TYR C 16 19.496 16.626 3.931 1.00 0.00 O ATOM 117 CB TYR C 16 17.049 16.772 2.386 1.00 0.00 C ATOM 118 CG TYR C 16 17.561 15.510 1.688 1.00 0.00 C ATOM 119 CD1 TYR C 16 17.197 14.260 2.145 1.00 0.00 C ATOM 120 CD2 TYR C 16 18.396 15.604 0.594 1.00 0.00 C ATOM 121 CE1 TYR C 16 17.662 13.122 1.519 1.00 0.00 C ATOM 122 CE2 TYR C 16 18.862 14.466 -0.033 1.00 0.00 C ATOM 123 CZ TYR C 16 18.498 13.216 0.424 1.00 0.00 C ATOM 124 OH TYR C 16 18.964 12.078 -0.202 1.00 0.00 O ATOM 0 H TYR C 16 17.191 18.696 4.100 1.00 0.00 H new ATOM 0 HA TYR C 16 16.343 15.847 4.200 1.00 0.00 H new ATOM 0 HB2 TYR C 16 16.028 16.986 2.071 1.00 0.00 H new ATOM 0 HB3 TYR C 16 17.657 17.630 2.101 1.00 0.00 H new ATOM 0 HD1 TYR C 16 16.543 14.172 3.000 1.00 0.00 H new ATOM 0 HD2 TYR C 16 18.688 16.576 0.225 1.00 0.00 H new ATOM 0 HE1 TYR C 16 17.370 12.150 1.888 1.00 0.00 H new ATOM 0 HE2 TYR C 16 19.516 14.555 -0.888 1.00 0.00 H new ATOM 0 HH TYR C 16 18.231 11.652 -0.693 1.00 0.00 H new ATOM 134 N GLU C 17 18.540 14.995 5.051 1.00 0.00 N ATOM 135 CA GLU C 17 19.859 14.445 5.475 1.00 0.00 C ATOM 136 C GLU C 17 20.255 13.294 4.546 1.00 0.00 C ATOM 137 O GLU C 17 20.268 12.145 4.939 1.00 0.00 O ATOM 138 CB GLU C 17 19.757 13.928 6.911 1.00 0.00 C ATOM 139 CG GLU C 17 21.155 13.596 7.436 1.00 0.00 C ATOM 140 CD GLU C 17 21.459 14.462 8.660 1.00 0.00 C ATOM 141 OE1 GLU C 17 21.109 15.631 8.635 1.00 0.00 O ATOM 142 OE2 GLU C 17 22.036 13.943 9.601 1.00 0.00 O ATOM 0 H GLU C 17 17.727 14.481 5.390 1.00 0.00 H new ATOM 0 HA GLU C 17 20.614 15.230 5.423 1.00 0.00 H new ATOM 0 HB2 GLU C 17 19.288 14.679 7.546 1.00 0.00 H new ATOM 0 HB3 GLU C 17 19.124 13.041 6.945 1.00 0.00 H new ATOM 0 HG2 GLU C 17 21.215 12.540 7.700 1.00 0.00 H new ATOM 0 HG3 GLU C 17 21.898 13.772 6.659 1.00 0.00 H new ATOM 149 N SER C 18 20.577 13.593 3.318 1.00 0.00 N ATOM 150 CA SER C 18 20.971 12.515 2.368 1.00 0.00 C ATOM 151 C SER C 18 21.944 11.555 3.056 1.00 0.00 C ATOM 152 O SER C 18 22.827 11.967 3.782 1.00 0.00 O ATOM 153 CB SER C 18 21.648 13.137 1.144 1.00 0.00 C ATOM 154 OG SER C 18 23.054 13.172 1.349 1.00 0.00 O ATOM 0 H SER C 18 20.584 14.537 2.931 1.00 0.00 H new ATOM 0 HA SER C 18 20.083 11.967 2.054 1.00 0.00 H new ATOM 0 HB2 SER C 18 21.414 12.557 0.251 1.00 0.00 H new ATOM 0 HB3 SER C 18 21.268 14.145 0.978 1.00 0.00 H new ATOM 0 HG SER C 18 23.506 13.316 0.492 1.00 0.00 H new ATOM 160 N ARG C 19 21.790 10.278 2.834 1.00 0.00 N ATOM 161 CA ARG C 19 22.708 9.294 3.478 1.00 0.00 C ATOM 162 C ARG C 19 23.849 8.958 2.516 1.00 0.00 C ATOM 163 O ARG C 19 24.883 8.460 2.915 1.00 0.00 O ATOM 164 CB ARG C 19 21.934 8.019 3.816 1.00 0.00 C ATOM 165 CG ARG C 19 20.676 8.380 4.608 1.00 0.00 C ATOM 166 CD ARG C 19 19.905 7.103 4.948 1.00 0.00 C ATOM 167 NE ARG C 19 18.569 7.139 4.286 1.00 0.00 N ATOM 168 CZ ARG C 19 17.822 6.068 4.259 1.00 0.00 C ATOM 169 NH1 ARG C 19 18.240 4.962 4.814 1.00 0.00 N ATOM 170 NH2 ARG C 19 16.654 6.105 3.678 1.00 0.00 N ATOM 0 H ARG C 19 21.070 9.873 2.236 1.00 0.00 H new ATOM 0 HA ARG C 19 23.117 9.723 4.393 1.00 0.00 H new ATOM 0 HB2 ARG C 19 21.662 7.493 2.901 1.00 0.00 H new ATOM 0 HB3 ARG C 19 22.561 7.344 4.398 1.00 0.00 H new ATOM 0 HG2 ARG C 19 20.948 8.908 5.522 1.00 0.00 H new ATOM 0 HG3 ARG C 19 20.047 9.053 4.026 1.00 0.00 H new ATOM 0 HD2 ARG C 19 20.464 6.228 4.616 1.00 0.00 H new ATOM 0 HD3 ARG C 19 19.786 7.014 6.028 1.00 0.00 H new ATOM 0 HE ARG C 19 18.238 8.002 3.854 1.00 0.00 H new ATOM 0 HH11 ARG C 19 19.152 4.933 5.270 1.00 0.00 H new ATOM 0 HH12 ARG C 19 17.654 4.127 4.791 1.00 0.00 H new ATOM 0 HH21 ARG C 19 16.326 6.969 3.246 1.00 0.00 H new ATOM 0 HH22 ARG C 19 16.069 5.270 3.656 1.00 0.00 H new ATOM 184 N THR C 20 23.670 9.227 1.253 1.00 0.00 N ATOM 185 CA THR C 20 24.746 8.923 0.267 1.00 0.00 C ATOM 186 C THR C 20 25.378 10.232 -0.214 1.00 0.00 C ATOM 187 O THR C 20 24.842 11.303 -0.007 1.00 0.00 O ATOM 188 CB THR C 20 24.147 8.176 -0.927 1.00 0.00 C ATOM 189 OG1 THR C 20 23.047 8.913 -1.440 1.00 0.00 O ATOM 190 CG2 THR C 20 23.674 6.792 -0.481 1.00 0.00 C ATOM 0 H THR C 20 22.826 9.644 0.860 1.00 0.00 H new ATOM 0 HA THR C 20 25.508 8.302 0.738 1.00 0.00 H new ATOM 0 HB THR C 20 24.904 8.065 -1.703 1.00 0.00 H new ATOM 0 HG1 THR C 20 22.663 8.437 -2.206 1.00 0.00 H new ATOM 0 HG21 THR C 20 23.248 6.261 -1.332 1.00 0.00 H new ATOM 0 HG22 THR C 20 24.520 6.228 -0.088 1.00 0.00 H new ATOM 0 HG23 THR C 20 22.917 6.899 0.296 1.00 0.00 H new ATOM 198 N GLU C 21 26.513 10.155 -0.853 1.00 0.00 N ATOM 199 CA GLU C 21 27.176 11.396 -1.344 1.00 0.00 C ATOM 200 C GLU C 21 26.534 11.831 -2.664 1.00 0.00 C ATOM 201 O GLU C 21 26.563 12.989 -3.027 1.00 0.00 O ATOM 202 CB GLU C 21 28.665 11.124 -1.567 1.00 0.00 C ATOM 203 CG GLU C 21 29.442 11.470 -0.296 1.00 0.00 C ATOM 204 CD GLU C 21 29.653 10.201 0.534 1.00 0.00 C ATOM 205 OE1 GLU C 21 28.667 9.560 0.858 1.00 0.00 O ATOM 206 OE2 GLU C 21 30.796 9.893 0.828 1.00 0.00 O ATOM 0 H GLU C 21 27.009 9.287 -1.056 1.00 0.00 H new ATOM 0 HA GLU C 21 27.057 12.188 -0.604 1.00 0.00 H new ATOM 0 HB2 GLU C 21 28.819 10.077 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU C 21 29.033 11.718 -2.404 1.00 0.00 H new ATOM 0 HG2 GLU C 21 30.404 11.913 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU C 21 28.896 12.212 0.287 1.00 0.00 H new ATOM 213 N THR C 22 25.956 10.910 -3.386 1.00 0.00 N ATOM 214 CA THR C 22 25.313 11.272 -4.680 1.00 0.00 C ATOM 215 C THR C 22 24.405 12.487 -4.480 1.00 0.00 C ATOM 216 O THR C 22 24.491 13.464 -5.196 1.00 0.00 O ATOM 217 CB THR C 22 24.480 10.091 -5.186 1.00 0.00 C ATOM 218 OG1 THR C 22 24.942 8.893 -4.576 1.00 0.00 O ATOM 219 CG2 THR C 22 24.618 9.980 -6.705 1.00 0.00 C ATOM 0 H THR C 22 25.902 9.923 -3.135 1.00 0.00 H new ATOM 0 HA THR C 22 26.085 11.513 -5.411 1.00 0.00 H new ATOM 0 HB THR C 22 23.432 10.248 -4.931 1.00 0.00 H new ATOM 0 HG1 THR C 22 24.409 8.136 -4.897 1.00 0.00 H new ATOM 0 HG21 THR C 22 24.025 9.139 -7.064 1.00 0.00 H new ATOM 0 HG22 THR C 22 24.263 10.899 -7.171 1.00 0.00 H new ATOM 0 HG23 THR C 22 25.665 9.822 -6.965 1.00 0.00 H new ATOM 227 N ASP C 23 23.531 12.433 -3.511 1.00 0.00 N ATOM 228 CA ASP C 23 22.619 13.586 -3.266 1.00 0.00 C ATOM 229 C ASP C 23 23.185 14.451 -2.138 1.00 0.00 C ATOM 230 O ASP C 23 23.728 13.951 -1.173 1.00 0.00 O ATOM 231 CB ASP C 23 21.234 13.067 -2.868 1.00 0.00 C ATOM 232 CG ASP C 23 20.965 11.732 -3.565 1.00 0.00 C ATOM 233 OD1 ASP C 23 21.582 10.751 -3.180 1.00 0.00 O ATOM 234 OD2 ASP C 23 20.148 11.711 -4.470 1.00 0.00 O ATOM 0 H ASP C 23 23.410 11.641 -2.880 1.00 0.00 H new ATOM 0 HA ASP C 23 22.534 14.183 -4.174 1.00 0.00 H new ATOM 0 HB2 ASP C 23 21.179 12.942 -1.787 1.00 0.00 H new ATOM 0 HB3 ASP C 23 20.469 13.793 -3.144 1.00 0.00 H new ATOM 239 N LEU C 24 23.065 15.745 -2.252 1.00 0.00 N ATOM 240 CA LEU C 24 23.597 16.640 -1.186 1.00 0.00 C ATOM 241 C LEU C 24 22.508 16.898 -0.143 1.00 0.00 C ATOM 242 O LEU C 24 21.336 16.960 -0.456 1.00 0.00 O ATOM 243 CB LEU C 24 24.031 17.971 -1.805 1.00 0.00 C ATOM 244 CG LEU C 24 24.942 17.703 -3.004 1.00 0.00 C ATOM 245 CD1 LEU C 24 24.887 18.895 -3.960 1.00 0.00 C ATOM 246 CD2 LEU C 24 26.380 17.503 -2.519 1.00 0.00 C ATOM 0 H LEU C 24 22.621 16.221 -3.037 1.00 0.00 H new ATOM 0 HA LEU C 24 24.453 16.163 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU C 24 23.156 18.540 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU C 24 24.555 18.575 -1.064 1.00 0.00 H new ATOM 0 HG LEU C 24 24.606 16.805 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU C 24 25.536 18.706 -4.815 1.00 0.00 H new ATOM 0 HD12 LEU C 24 23.863 19.037 -4.306 1.00 0.00 H new ATOM 0 HD13 LEU C 24 25.223 19.793 -3.442 1.00 0.00 H new ATOM 0 HD21 LEU C 24 27.029 17.312 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU C 24 26.717 18.401 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU C 24 26.419 16.654 -1.837 1.00 0.00 H new ATOM 258 N SER C 25 22.887 17.049 1.096 1.00 0.00 N ATOM 259 CA SER C 25 21.874 17.304 2.159 1.00 0.00 C ATOM 260 C SER C 25 21.718 18.813 2.352 1.00 0.00 C ATOM 261 O SER C 25 22.656 19.569 2.192 1.00 0.00 O ATOM 262 CB SER C 25 22.335 16.667 3.471 1.00 0.00 C ATOM 263 OG SER C 25 23.573 16.004 3.266 1.00 0.00 O ATOM 0 H SER C 25 23.854 17.007 1.418 1.00 0.00 H new ATOM 0 HA SER C 25 20.918 16.870 1.865 1.00 0.00 H new ATOM 0 HB2 SER C 25 22.443 17.431 4.241 1.00 0.00 H new ATOM 0 HB3 SER C 25 21.586 15.960 3.827 1.00 0.00 H new ATOM 0 HG SER C 25 23.869 15.597 4.107 1.00 0.00 H new ATOM 269 N PHE C 26 20.542 19.262 2.693 1.00 0.00 N ATOM 270 CA PHE C 26 20.335 20.723 2.893 1.00 0.00 C ATOM 271 C PHE C 26 19.474 20.952 4.136 1.00 0.00 C ATOM 272 O PHE C 26 18.801 20.059 4.611 1.00 0.00 O ATOM 273 CB PHE C 26 19.632 21.314 1.669 1.00 0.00 C ATOM 274 CG PHE C 26 18.430 20.445 1.302 1.00 0.00 C ATOM 275 CD1 PHE C 26 17.208 20.657 1.911 1.00 0.00 C ATOM 276 CD2 PHE C 26 18.548 19.439 0.360 1.00 0.00 C ATOM 277 CE1 PHE C 26 16.119 19.876 1.584 1.00 0.00 C ATOM 278 CE2 PHE C 26 17.459 18.658 0.034 1.00 0.00 C ATOM 279 CZ PHE C 26 16.245 18.875 0.646 1.00 0.00 C ATOM 0 H PHE C 26 19.717 18.681 2.842 1.00 0.00 H new ATOM 0 HA PHE C 26 21.301 21.210 3.026 1.00 0.00 H new ATOM 0 HB2 PHE C 26 19.307 22.333 1.880 1.00 0.00 H new ATOM 0 HB3 PHE C 26 20.325 21.368 0.829 1.00 0.00 H new ATOM 0 HD1 PHE C 26 17.105 21.440 2.648 1.00 0.00 H new ATOM 0 HD2 PHE C 26 19.498 19.264 -0.123 1.00 0.00 H new ATOM 0 HE1 PHE C 26 15.167 20.049 2.064 1.00 0.00 H new ATOM 0 HE2 PHE C 26 17.559 17.875 -0.703 1.00 0.00 H new ATOM 0 HZ PHE C 26 15.393 18.262 0.391 1.00 0.00 H new ATOM 289 N LYS C 27 19.491 22.143 4.668 1.00 0.00 N ATOM 290 CA LYS C 27 18.673 22.428 5.880 1.00 0.00 C ATOM 291 C LYS C 27 17.309 22.977 5.459 1.00 0.00 C ATOM 292 O LYS C 27 17.015 23.105 4.287 1.00 0.00 O ATOM 293 CB LYS C 27 19.392 23.463 6.748 1.00 0.00 C ATOM 294 CG LYS C 27 19.533 22.923 8.172 1.00 0.00 C ATOM 295 CD LYS C 27 19.995 24.048 9.101 1.00 0.00 C ATOM 296 CE LYS C 27 20.414 23.457 10.449 1.00 0.00 C ATOM 297 NZ LYS C 27 19.801 24.249 11.552 1.00 0.00 N ATOM 0 H LYS C 27 20.036 22.930 4.316 1.00 0.00 H new ATOM 0 HA LYS C 27 18.534 21.508 6.448 1.00 0.00 H new ATOM 0 HB2 LYS C 27 20.375 23.683 6.332 1.00 0.00 H new ATOM 0 HB3 LYS C 27 18.833 24.399 6.756 1.00 0.00 H new ATOM 0 HG2 LYS C 27 18.580 22.521 8.516 1.00 0.00 H new ATOM 0 HG3 LYS C 27 20.251 22.103 8.192 1.00 0.00 H new ATOM 0 HD2 LYS C 27 20.830 24.585 8.652 1.00 0.00 H new ATOM 0 HD3 LYS C 27 19.191 24.770 9.243 1.00 0.00 H new ATOM 0 HE2 LYS C 27 20.098 22.416 10.516 1.00 0.00 H new ATOM 0 HE3 LYS C 27 21.500 23.467 10.540 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 20.086 23.847 12.468 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 20.124 25.236 11.492 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 18.765 24.218 11.468 1.00 0.00 H new ATOM 311 N LYS C 28 16.473 23.302 6.406 1.00 0.00 N ATOM 312 CA LYS C 28 15.128 23.842 6.061 1.00 0.00 C ATOM 313 C LYS C 28 15.220 25.361 5.892 1.00 0.00 C ATOM 314 O LYS C 28 15.717 26.062 6.751 1.00 0.00 O ATOM 315 CB LYS C 28 14.142 23.511 7.184 1.00 0.00 C ATOM 316 CG LYS C 28 12.710 23.692 6.676 1.00 0.00 C ATOM 317 CD LYS C 28 12.041 24.839 7.437 1.00 0.00 C ATOM 318 CE LYS C 28 10.525 24.761 7.249 1.00 0.00 C ATOM 319 NZ LYS C 28 9.862 25.755 8.139 1.00 0.00 N ATOM 0 H LYS C 28 16.663 23.217 7.404 1.00 0.00 H new ATOM 0 HA LYS C 28 14.781 23.392 5.131 1.00 0.00 H new ATOM 0 HB2 LYS C 28 14.292 22.486 7.524 1.00 0.00 H new ATOM 0 HB3 LYS C 28 14.320 24.160 8.041 1.00 0.00 H new ATOM 0 HG2 LYS C 28 12.716 23.905 5.607 1.00 0.00 H new ATOM 0 HG3 LYS C 28 12.144 22.771 6.814 1.00 0.00 H new ATOM 0 HD2 LYS C 28 12.290 24.781 8.497 1.00 0.00 H new ATOM 0 HD3 LYS C 28 12.414 25.797 7.074 1.00 0.00 H new ATOM 0 HE2 LYS C 28 10.266 24.959 6.209 1.00 0.00 H new ATOM 0 HE3 LYS C 28 10.170 23.757 7.480 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 8.831 25.702 8.011 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 10.099 25.546 9.130 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 10.192 26.711 7.898 1.00 0.00 H new ATOM 333 N GLY C 29 14.745 25.875 4.790 1.00 0.00 N ATOM 334 CA GLY C 29 14.806 27.347 4.567 1.00 0.00 C ATOM 335 C GLY C 29 15.877 27.659 3.519 1.00 0.00 C ATOM 336 O GLY C 29 15.978 28.767 3.031 1.00 0.00 O ATOM 0 H GLY C 29 14.317 25.339 4.035 1.00 0.00 H new ATOM 0 HA2 GLY C 29 13.836 27.716 4.233 1.00 0.00 H new ATOM 0 HA3 GLY C 29 15.036 27.858 5.502 1.00 0.00 H new ATOM 340 N GLU C 30 16.676 26.689 3.169 1.00 0.00 N ATOM 341 CA GLU C 30 17.740 26.927 2.154 1.00 0.00 C ATOM 342 C GLU C 30 17.122 26.907 0.754 1.00 0.00 C ATOM 343 O GLU C 30 16.266 26.097 0.455 1.00 0.00 O ATOM 344 CB GLU C 30 18.799 25.828 2.262 1.00 0.00 C ATOM 345 CG GLU C 30 19.912 26.089 1.244 1.00 0.00 C ATOM 346 CD GLU C 30 21.070 25.122 1.496 1.00 0.00 C ATOM 347 OE1 GLU C 30 21.586 25.122 2.602 1.00 0.00 O ATOM 348 OE2 GLU C 30 21.420 24.397 0.581 1.00 0.00 O ATOM 0 H GLU C 30 16.638 25.741 3.543 1.00 0.00 H new ATOM 0 HA GLU C 30 18.204 27.897 2.331 1.00 0.00 H new ATOM 0 HB2 GLU C 30 19.212 25.804 3.270 1.00 0.00 H new ATOM 0 HB3 GLU C 30 18.347 24.853 2.080 1.00 0.00 H new ATOM 0 HG2 GLU C 30 19.531 25.960 0.231 1.00 0.00 H new ATOM 0 HG3 GLU C 30 20.260 27.119 1.325 1.00 0.00 H new ATOM 355 N ARG C 31 17.547 27.790 -0.108 1.00 0.00 N ATOM 356 CA ARG C 31 16.981 27.818 -1.487 1.00 0.00 C ATOM 357 C ARG C 31 17.743 26.827 -2.369 1.00 0.00 C ATOM 358 O ARG C 31 18.919 26.589 -2.179 1.00 0.00 O ATOM 359 CB ARG C 31 17.118 29.227 -2.067 1.00 0.00 C ATOM 360 CG ARG C 31 16.067 30.142 -1.436 1.00 0.00 C ATOM 361 CD ARG C 31 16.684 30.882 -0.246 1.00 0.00 C ATOM 362 NE ARG C 31 17.910 31.606 -0.693 1.00 0.00 N ATOM 363 CZ ARG C 31 17.806 32.675 -1.437 1.00 0.00 C ATOM 364 NH1 ARG C 31 16.629 33.115 -1.793 1.00 0.00 N ATOM 365 NH2 ARG C 31 18.881 33.303 -1.825 1.00 0.00 N ATOM 0 H ARG C 31 18.261 28.493 0.083 1.00 0.00 H new ATOM 0 HA ARG C 31 15.927 27.541 -1.454 1.00 0.00 H new ATOM 0 HB2 ARG C 31 18.118 29.616 -1.874 1.00 0.00 H new ATOM 0 HB3 ARG C 31 16.990 29.201 -3.149 1.00 0.00 H new ATOM 0 HG2 ARG C 31 15.702 30.857 -2.173 1.00 0.00 H new ATOM 0 HG3 ARG C 31 15.208 29.556 -1.108 1.00 0.00 H new ATOM 0 HD2 ARG C 31 15.964 31.586 0.171 1.00 0.00 H new ATOM 0 HD3 ARG C 31 16.934 30.176 0.546 1.00 0.00 H new ATOM 0 HE ARG C 31 18.831 31.266 -0.417 1.00 0.00 H new ATOM 0 HH11 ARG C 31 15.788 32.624 -1.490 1.00 0.00 H new ATOM 0 HH12 ARG C 31 16.551 33.950 -2.374 1.00 0.00 H new ATOM 0 HH21 ARG C 31 19.800 32.959 -1.548 1.00 0.00 H new ATOM 0 HH22 ARG C 31 18.802 34.138 -2.406 1.00 0.00 H new ATOM 379 N LEU C 32 17.082 26.246 -3.332 1.00 0.00 N ATOM 380 CA LEU C 32 17.769 25.271 -4.225 1.00 0.00 C ATOM 381 C LEU C 32 17.389 25.554 -5.680 1.00 0.00 C ATOM 382 O LEU C 32 16.263 25.891 -5.984 1.00 0.00 O ATOM 383 CB LEU C 32 17.340 23.851 -3.853 1.00 0.00 C ATOM 384 CG LEU C 32 17.952 23.469 -2.503 1.00 0.00 C ATOM 385 CD1 LEU C 32 16.864 23.485 -1.426 1.00 0.00 C ATOM 386 CD2 LEU C 32 18.557 22.067 -2.594 1.00 0.00 C ATOM 0 H LEU C 32 16.096 26.404 -3.539 1.00 0.00 H new ATOM 0 HA LEU C 32 18.848 25.368 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU C 32 16.253 23.790 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU C 32 17.663 23.149 -4.622 1.00 0.00 H new ATOM 0 HG LEU C 32 18.732 24.185 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU C 32 17.300 23.213 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU C 32 16.433 24.484 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU C 32 16.084 22.770 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU C 32 18.993 21.796 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU C 32 17.778 21.351 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU C 32 19.332 22.054 -3.360 1.00 0.00 H new ATOM 398 N GLN C 33 18.322 25.420 -6.584 1.00 0.00 N ATOM 399 CA GLN C 33 18.014 25.681 -8.018 1.00 0.00 C ATOM 400 C GLN C 33 17.473 24.404 -8.663 1.00 0.00 C ATOM 401 O GLN C 33 18.221 23.580 -9.151 1.00 0.00 O ATOM 402 CB GLN C 33 19.288 26.118 -8.742 1.00 0.00 C ATOM 403 CG GLN C 33 19.367 27.647 -8.758 1.00 0.00 C ATOM 404 CD GLN C 33 18.822 28.172 -10.087 1.00 0.00 C ATOM 405 OE1 GLN C 33 17.646 28.047 -10.367 1.00 0.00 O ATOM 406 NE2 GLN C 33 19.633 28.760 -10.924 1.00 0.00 N ATOM 0 H GLN C 33 19.284 25.141 -6.391 1.00 0.00 H new ATOM 0 HA GLN C 33 17.266 26.470 -8.091 1.00 0.00 H new ATOM 0 HB2 GLN C 33 20.163 25.703 -8.242 1.00 0.00 H new ATOM 0 HB3 GLN C 33 19.290 25.732 -9.762 1.00 0.00 H new ATOM 0 HG2 GLN C 33 18.793 28.060 -7.929 1.00 0.00 H new ATOM 0 HG3 GLN C 33 20.399 27.970 -8.623 1.00 0.00 H new ATOM 0 HE21 GLN C 33 20.620 28.865 -10.689 1.00 0.00 H new ATOM 0 HE22 GLN C 33 19.280 29.114 -11.813 1.00 0.00 H new ATOM 415 N ILE C 34 16.180 24.233 -8.670 1.00 0.00 N ATOM 416 CA ILE C 34 15.594 23.010 -9.284 1.00 0.00 C ATOM 417 C ILE C 34 16.120 22.852 -10.712 1.00 0.00 C ATOM 418 O ILE C 34 16.331 23.820 -11.416 1.00 0.00 O ATOM 419 CB ILE C 34 14.071 23.134 -9.314 1.00 0.00 C ATOM 420 CG1 ILE C 34 13.525 23.071 -7.886 1.00 0.00 C ATOM 421 CG2 ILE C 34 13.482 21.984 -10.134 1.00 0.00 C ATOM 422 CD1 ILE C 34 14.087 21.837 -7.179 1.00 0.00 C ATOM 0 H ILE C 34 15.504 24.888 -8.277 1.00 0.00 H new ATOM 0 HA ILE C 34 15.877 22.138 -8.694 1.00 0.00 H new ATOM 0 HB ILE C 34 13.794 24.085 -9.768 1.00 0.00 H new ATOM 0 HG12 ILE C 34 13.801 23.973 -7.340 1.00 0.00 H new ATOM 0 HG13 ILE C 34 12.436 23.029 -7.903 1.00 0.00 H new ATOM 0 HG21 ILE C 34 12.396 22.072 -10.156 1.00 0.00 H new ATOM 0 HG22 ILE C 34 13.870 22.027 -11.152 1.00 0.00 H new ATOM 0 HG23 ILE C 34 13.760 21.033 -9.679 1.00 0.00 H new ATOM 0 HD11 ILE C 34 13.698 21.792 -6.162 1.00 0.00 H new ATOM 0 HD12 ILE C 34 13.789 20.940 -7.721 1.00 0.00 H new ATOM 0 HD13 ILE C 34 15.175 21.899 -7.149 1.00 0.00 H new ATOM 434 N VAL C 35 16.337 21.641 -11.143 1.00 0.00 N ATOM 435 CA VAL C 35 16.850 21.422 -12.525 1.00 0.00 C ATOM 436 C VAL C 35 15.748 20.808 -13.386 1.00 0.00 C ATOM 437 O VAL C 35 15.223 21.436 -14.284 1.00 0.00 O ATOM 438 CB VAL C 35 18.050 20.475 -12.480 1.00 0.00 C ATOM 439 CG1 VAL C 35 18.525 20.187 -13.905 1.00 0.00 C ATOM 440 CG2 VAL C 35 19.183 21.125 -11.684 1.00 0.00 C ATOM 0 H VAL C 35 16.181 20.793 -10.598 1.00 0.00 H new ATOM 0 HA VAL C 35 17.157 22.376 -12.954 1.00 0.00 H new ATOM 0 HB VAL C 35 17.759 19.541 -11.999 1.00 0.00 H new ATOM 0 HG11 VAL C 35 19.380 19.512 -13.874 1.00 0.00 H new ATOM 0 HG12 VAL C 35 17.717 19.723 -14.471 1.00 0.00 H new ATOM 0 HG13 VAL C 35 18.816 21.120 -14.387 1.00 0.00 H new ATOM 0 HG21 VAL C 35 20.039 20.450 -11.652 1.00 0.00 H new ATOM 0 HG22 VAL C 35 19.475 22.059 -12.164 1.00 0.00 H new ATOM 0 HG23 VAL C 35 18.844 21.329 -10.669 1.00 0.00 H new ATOM 450 N ASN C 36 15.394 19.584 -13.120 1.00 0.00 N ATOM 451 CA ASN C 36 14.326 18.924 -13.923 1.00 0.00 C ATOM 452 C ASN C 36 13.510 17.992 -13.023 1.00 0.00 C ATOM 453 O ASN C 36 13.522 18.114 -11.814 1.00 0.00 O ATOM 454 CB ASN C 36 14.965 18.111 -15.051 1.00 0.00 C ATOM 455 CG ASN C 36 14.459 18.628 -16.400 1.00 0.00 C ATOM 456 OD1 ASN C 36 15.208 18.709 -17.352 1.00 0.00 O ATOM 457 ND2 ASN C 36 13.208 18.980 -16.522 1.00 0.00 N ATOM 0 H ASN C 36 15.798 19.010 -12.380 1.00 0.00 H new ATOM 0 HA ASN C 36 13.670 19.684 -14.348 1.00 0.00 H new ATOM 0 HB2 ASN C 36 16.051 18.192 -15.002 1.00 0.00 H new ATOM 0 HB3 ASN C 36 14.718 17.055 -14.938 1.00 0.00 H new ATOM 0 HD21 ASN C 36 12.860 19.323 -17.417 1.00 0.00 H new ATOM 0 HD22 ASN C 36 12.579 18.912 -15.722 1.00 0.00 H new ATOM 464 N ASN C 37 12.802 17.062 -13.605 1.00 0.00 N ATOM 465 CA ASN C 37 11.986 16.124 -12.784 1.00 0.00 C ATOM 466 C ASN C 37 11.004 16.921 -11.924 1.00 0.00 C ATOM 467 O ASN C 37 11.368 17.495 -10.917 1.00 0.00 O ATOM 468 CB ASN C 37 12.908 15.305 -11.878 1.00 0.00 C ATOM 469 CG ASN C 37 14.122 14.833 -12.680 1.00 0.00 C ATOM 470 OD1 ASN C 37 14.866 15.637 -13.206 1.00 0.00 O ATOM 471 ND2 ASN C 37 14.357 13.555 -12.796 1.00 0.00 N ATOM 0 H ASN C 37 12.754 16.912 -14.613 1.00 0.00 H new ATOM 0 HA ASN C 37 11.432 15.453 -13.441 1.00 0.00 H new ATOM 0 HB2 ASN C 37 13.231 15.908 -11.029 1.00 0.00 H new ATOM 0 HB3 ASN C 37 12.370 14.448 -11.473 1.00 0.00 H new ATOM 0 HD21 ASN C 37 15.165 13.231 -13.328 1.00 0.00 H new ATOM 0 HD22 ASN C 37 13.733 12.880 -12.355 1.00 0.00 H new ATOM 478 N THR C 38 9.758 16.961 -12.312 1.00 0.00 N ATOM 479 CA THR C 38 8.753 17.721 -11.517 1.00 0.00 C ATOM 480 C THR C 38 7.695 16.757 -10.978 1.00 0.00 C ATOM 481 O THR C 38 6.901 17.105 -10.126 1.00 0.00 O ATOM 482 CB THR C 38 8.083 18.769 -12.409 1.00 0.00 C ATOM 483 OG1 THR C 38 7.028 19.393 -11.691 1.00 0.00 O ATOM 484 CG2 THR C 38 7.522 18.092 -13.660 1.00 0.00 C ATOM 0 H THR C 38 9.393 16.500 -13.145 1.00 0.00 H new ATOM 0 HA THR C 38 9.249 18.218 -10.684 1.00 0.00 H new ATOM 0 HB THR C 38 8.816 19.520 -12.704 1.00 0.00 H new ATOM 0 HG1 THR C 38 6.617 18.743 -11.083 1.00 0.00 H new ATOM 0 HG21 THR C 38 7.045 18.839 -14.295 1.00 0.00 H new ATOM 0 HG22 THR C 38 8.333 17.613 -14.209 1.00 0.00 H new ATOM 0 HG23 THR C 38 6.788 17.341 -13.369 1.00 0.00 H new ATOM 492 N GLU C 39 7.678 15.547 -11.466 1.00 0.00 N ATOM 493 CA GLU C 39 6.671 14.562 -10.980 1.00 0.00 C ATOM 494 C GLU C 39 7.388 13.342 -10.399 1.00 0.00 C ATOM 495 O GLU C 39 6.875 12.661 -9.535 1.00 0.00 O ATOM 496 CB GLU C 39 5.782 14.125 -12.146 1.00 0.00 C ATOM 497 CG GLU C 39 4.389 14.738 -11.981 1.00 0.00 C ATOM 498 CD GLU C 39 3.352 13.620 -11.848 1.00 0.00 C ATOM 499 OE1 GLU C 39 3.119 13.186 -10.732 1.00 0.00 O ATOM 500 OE2 GLU C 39 2.810 13.218 -12.864 1.00 0.00 O ATOM 0 H GLU C 39 8.318 15.198 -12.180 1.00 0.00 H new ATOM 0 HA GLU C 39 6.056 15.023 -10.207 1.00 0.00 H new ATOM 0 HB2 GLU C 39 6.221 14.443 -13.092 1.00 0.00 H new ATOM 0 HB3 GLU C 39 5.712 13.038 -12.176 1.00 0.00 H new ATOM 0 HG2 GLU C 39 4.364 15.379 -11.099 1.00 0.00 H new ATOM 0 HG3 GLU C 39 4.153 15.367 -12.839 1.00 0.00 H new ATOM 507 N GLY C 40 8.574 13.061 -10.868 1.00 0.00 N ATOM 508 CA GLY C 40 9.322 11.885 -10.341 1.00 0.00 C ATOM 509 C GLY C 40 9.386 11.963 -8.815 1.00 0.00 C ATOM 510 O GLY C 40 8.844 12.866 -8.207 1.00 0.00 O ATOM 0 H GLY C 40 9.056 13.594 -11.592 1.00 0.00 H new ATOM 0 HA2 GLY C 40 8.832 10.961 -10.648 1.00 0.00 H new ATOM 0 HA3 GLY C 40 10.329 11.865 -10.757 1.00 0.00 H new ATOM 514 N ASP C 41 10.042 11.024 -8.189 1.00 0.00 N ATOM 515 CA ASP C 41 10.137 11.047 -6.703 1.00 0.00 C ATOM 516 C ASP C 41 11.414 11.781 -6.286 1.00 0.00 C ATOM 517 O ASP C 41 11.557 12.204 -5.156 1.00 0.00 O ATOM 518 CB ASP C 41 10.176 9.613 -6.171 1.00 0.00 C ATOM 519 CG ASP C 41 8.749 9.075 -6.052 1.00 0.00 C ATOM 520 OD1 ASP C 41 8.163 8.775 -7.079 1.00 0.00 O ATOM 521 OD2 ASP C 41 8.266 8.972 -4.937 1.00 0.00 O ATOM 0 H ASP C 41 10.516 10.243 -8.643 1.00 0.00 H new ATOM 0 HA ASP C 41 9.269 11.563 -6.291 1.00 0.00 H new ATOM 0 HB2 ASP C 41 10.760 8.981 -6.840 1.00 0.00 H new ATOM 0 HB3 ASP C 41 10.668 9.588 -5.199 1.00 0.00 H new ATOM 526 N TRP C 42 12.343 11.935 -7.189 1.00 0.00 N ATOM 527 CA TRP C 42 13.609 12.641 -6.846 1.00 0.00 C ATOM 528 C TRP C 42 14.024 13.537 -8.014 1.00 0.00 C ATOM 529 O TRP C 42 14.023 13.123 -9.157 1.00 0.00 O ATOM 530 CB TRP C 42 14.709 11.613 -6.576 1.00 0.00 C ATOM 531 CG TRP C 42 14.421 10.889 -5.259 1.00 0.00 C ATOM 532 CD1 TRP C 42 13.636 9.807 -5.130 1.00 0.00 C ATOM 533 CD2 TRP C 42 14.913 11.239 -4.072 1.00 0.00 C ATOM 534 NE1 TRP C 42 13.687 9.537 -3.824 1.00 0.00 N ATOM 535 CE2 TRP C 42 14.460 10.378 -3.091 1.00 0.00 C ATOM 536 CE3 TRP C 42 15.757 12.279 -3.741 1.00 0.00 C ATOM 537 CZ2 TRP C 42 14.851 10.560 -1.780 1.00 0.00 C ATOM 538 CZ3 TRP C 42 16.148 12.460 -2.430 1.00 0.00 C ATOM 539 CH2 TRP C 42 15.695 11.600 -1.450 1.00 0.00 C ATOM 0 H TRP C 42 12.280 11.602 -8.151 1.00 0.00 H new ATOM 0 HA TRP C 42 13.456 13.251 -5.956 1.00 0.00 H new ATOM 0 HB2 TRP C 42 14.759 10.895 -7.394 1.00 0.00 H new ATOM 0 HB3 TRP C 42 15.679 12.108 -6.527 1.00 0.00 H new ATOM 0 HD1 TRP C 42 13.092 9.280 -5.900 1.00 0.00 H new ATOM 0 HE1 TRP C 42 13.182 8.755 -3.407 1.00 0.00 H new ATOM 0 HE3 TRP C 42 16.112 12.952 -4.508 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 14.496 9.888 -1.012 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 16.808 13.274 -2.171 1.00 0.00 H new ATOM 0 HH2 TRP C 42 16.002 11.741 -0.424 1.00 0.00 H new ATOM 550 N TRP C 43 14.379 14.762 -7.740 1.00 0.00 N ATOM 551 CA TRP C 43 14.794 15.680 -8.839 1.00 0.00 C ATOM 552 C TRP C 43 16.240 16.126 -8.617 1.00 0.00 C ATOM 553 O TRP C 43 16.767 16.042 -7.525 1.00 0.00 O ATOM 554 CB TRP C 43 13.885 16.911 -8.850 1.00 0.00 C ATOM 555 CG TRP C 43 12.425 16.475 -8.714 1.00 0.00 C ATOM 556 CD1 TRP C 43 11.926 15.302 -9.141 1.00 0.00 C ATOM 557 CD2 TRP C 43 11.459 17.208 -8.167 1.00 0.00 C ATOM 558 NE1 TRP C 43 10.632 15.378 -8.822 1.00 0.00 N ATOM 559 CE2 TRP C 43 10.255 16.532 -8.212 1.00 0.00 C ATOM 560 CE3 TRP C 43 11.521 18.467 -7.604 1.00 0.00 C ATOM 561 CZ2 TRP C 43 9.116 17.115 -7.696 1.00 0.00 C ATOM 562 CZ3 TRP C 43 10.382 19.050 -7.088 1.00 0.00 C ATOM 563 CH2 TRP C 43 9.179 18.374 -7.133 1.00 0.00 C ATOM 0 H TRP C 43 14.400 15.167 -6.804 1.00 0.00 H new ATOM 0 HA TRP C 43 14.714 15.157 -9.792 1.00 0.00 H new ATOM 0 HB2 TRP C 43 14.153 17.580 -8.032 1.00 0.00 H new ATOM 0 HB3 TRP C 43 14.023 17.469 -9.776 1.00 0.00 H new ATOM 0 HD1 TRP C 43 12.448 14.491 -9.627 1.00 0.00 H new ATOM 0 HE1 TRP C 43 9.974 14.625 -9.022 1.00 0.00 H new ATOM 0 HE3 TRP C 43 12.462 18.996 -7.567 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 8.175 16.586 -7.733 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 10.431 20.035 -6.649 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.288 18.830 -6.728 1.00 0.00 H new ATOM 574 N LEU C 44 16.886 16.602 -9.645 1.00 0.00 N ATOM 575 CA LEU C 44 18.297 17.054 -9.496 1.00 0.00 C ATOM 576 C LEU C 44 18.311 18.554 -9.202 1.00 0.00 C ATOM 577 O LEU C 44 17.717 19.339 -9.913 1.00 0.00 O ATOM 578 CB LEU C 44 19.064 16.780 -10.790 1.00 0.00 C ATOM 579 CG LEU C 44 20.545 17.100 -10.581 1.00 0.00 C ATOM 580 CD1 LEU C 44 21.379 16.372 -11.637 1.00 0.00 C ATOM 581 CD2 LEU C 44 20.766 18.609 -10.712 1.00 0.00 C ATOM 0 H LEU C 44 16.497 16.697 -10.583 1.00 0.00 H new ATOM 0 HA LEU C 44 18.771 16.513 -8.677 1.00 0.00 H new ATOM 0 HB2 LEU C 44 18.944 15.737 -11.083 1.00 0.00 H new ATOM 0 HB3 LEU C 44 18.660 17.387 -11.600 1.00 0.00 H new ATOM 0 HG LEU C 44 20.849 16.772 -9.587 1.00 0.00 H new ATOM 0 HD11 LEU C 44 22.434 16.600 -11.488 1.00 0.00 H new ATOM 0 HD12 LEU C 44 21.224 15.297 -11.546 1.00 0.00 H new ATOM 0 HD13 LEU C 44 21.074 16.699 -12.631 1.00 0.00 H new ATOM 0 HD21 LEU C 44 21.822 18.836 -10.563 1.00 0.00 H new ATOM 0 HD22 LEU C 44 20.461 18.936 -11.706 1.00 0.00 H new ATOM 0 HD23 LEU C 44 20.173 19.130 -9.960 1.00 0.00 H new ATOM 593 N ALA C 45 18.983 18.962 -8.160 1.00 0.00 N ATOM 594 CA ALA C 45 19.025 20.414 -7.834 1.00 0.00 C ATOM 595 C ALA C 45 20.477 20.871 -7.685 1.00 0.00 C ATOM 596 O ALA C 45 21.376 20.075 -7.500 1.00 0.00 O ATOM 597 CB ALA C 45 18.275 20.664 -6.525 1.00 0.00 C ATOM 0 H ALA C 45 19.502 18.356 -7.524 1.00 0.00 H new ATOM 0 HA ALA C 45 18.553 20.977 -8.639 1.00 0.00 H new ATOM 0 HB1 ALA C 45 18.305 21.727 -6.286 1.00 0.00 H new ATOM 0 HB2 ALA C 45 17.238 20.346 -6.633 1.00 0.00 H new ATOM 0 HB3 ALA C 45 18.746 20.098 -5.722 1.00 0.00 H new ATOM 603 N HIS C 46 20.708 22.153 -7.764 1.00 0.00 N ATOM 604 CA HIS C 46 22.096 22.676 -7.628 1.00 0.00 C ATOM 605 C HIS C 46 22.123 23.739 -6.523 1.00 0.00 C ATOM 606 O HIS C 46 21.474 24.762 -6.617 1.00 0.00 O ATOM 607 CB HIS C 46 22.535 23.287 -8.970 1.00 0.00 C ATOM 608 CG HIS C 46 23.601 24.366 -8.748 1.00 0.00 C ATOM 609 ND1 HIS C 46 24.849 24.203 -8.898 1.00 0.00 N ATOM 610 CD2 HIS C 46 23.457 25.685 -8.359 1.00 0.00 C ATOM 611 CE1 HIS C 46 25.479 25.287 -8.640 1.00 0.00 C ATOM 612 NE2 HIS C 46 24.664 26.270 -8.291 1.00 0.00 N ATOM 0 H HIS C 46 19.992 22.863 -7.917 1.00 0.00 H new ATOM 0 HA HIS C 46 22.781 21.871 -7.363 1.00 0.00 H new ATOM 0 HB2 HIS C 46 22.930 22.506 -9.620 1.00 0.00 H new ATOM 0 HB3 HIS C 46 21.673 23.719 -9.479 1.00 0.00 H new ATOM 0 HD2 HIS C 46 22.517 26.171 -8.143 1.00 0.00 H new ATOM 0 HE1 HIS C 46 26.553 25.388 -8.700 1.00 0.00 H new ATOM 0 HE2 HIS C 46 24.895 27.230 -8.035 1.00 0.00 H new ATOM 620 N SER C 47 22.867 23.502 -5.478 1.00 0.00 N ATOM 621 CA SER C 47 22.933 24.497 -4.371 1.00 0.00 C ATOM 622 C SER C 47 23.618 25.770 -4.873 1.00 0.00 C ATOM 623 O SER C 47 24.641 25.720 -5.525 1.00 0.00 O ATOM 624 CB SER C 47 23.735 23.912 -3.207 1.00 0.00 C ATOM 625 OG SER C 47 22.861 23.207 -2.338 1.00 0.00 O ATOM 0 H SER C 47 23.432 22.663 -5.343 1.00 0.00 H new ATOM 0 HA SER C 47 21.924 24.734 -4.034 1.00 0.00 H new ATOM 0 HB2 SER C 47 24.508 23.243 -3.584 1.00 0.00 H new ATOM 0 HB3 SER C 47 24.241 24.709 -2.663 1.00 0.00 H new ATOM 0 HG SER C 47 23.374 22.830 -1.593 1.00 0.00 H new ATOM 631 N LEU C 48 23.059 26.912 -4.576 1.00 0.00 N ATOM 632 CA LEU C 48 23.679 28.186 -5.037 1.00 0.00 C ATOM 633 C LEU C 48 24.760 28.617 -4.044 1.00 0.00 C ATOM 634 O LEU C 48 25.257 29.724 -4.095 1.00 0.00 O ATOM 635 CB LEU C 48 22.605 29.272 -5.128 1.00 0.00 C ATOM 636 CG LEU C 48 21.611 28.912 -6.234 1.00 0.00 C ATOM 637 CD1 LEU C 48 20.323 29.715 -6.045 1.00 0.00 C ATOM 638 CD2 LEU C 48 22.224 29.244 -7.597 1.00 0.00 C ATOM 0 H LEU C 48 22.201 27.017 -4.035 1.00 0.00 H new ATOM 0 HA LEU C 48 24.128 28.037 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU C 48 22.086 29.367 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU C 48 23.065 30.238 -5.338 1.00 0.00 H new ATOM 0 HG LEU C 48 21.384 27.847 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU C 48 19.615 29.458 -6.833 1.00 0.00 H new ATOM 0 HD12 LEU C 48 19.886 29.479 -5.074 1.00 0.00 H new ATOM 0 HD13 LEU C 48 20.548 30.780 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU C 48 21.517 28.988 -8.386 1.00 0.00 H new ATOM 0 HD22 LEU C 48 22.451 30.309 -7.644 1.00 0.00 H new ATOM 0 HD23 LEU C 48 23.142 28.672 -7.732 1.00 0.00 H new ATOM 650 N THR C 49 25.127 27.751 -3.140 1.00 0.00 N ATOM 651 CA THR C 49 26.175 28.112 -2.145 1.00 0.00 C ATOM 652 C THR C 49 27.557 27.819 -2.733 1.00 0.00 C ATOM 653 O THR C 49 28.253 28.708 -3.183 1.00 0.00 O ATOM 654 CB THR C 49 25.976 27.287 -0.871 1.00 0.00 C ATOM 655 OG1 THR C 49 24.824 27.752 -0.183 1.00 0.00 O ATOM 656 CG2 THR C 49 27.204 27.432 0.030 1.00 0.00 C ATOM 0 H THR C 49 24.746 26.809 -3.048 1.00 0.00 H new ATOM 0 HA THR C 49 26.099 29.173 -1.905 1.00 0.00 H new ATOM 0 HB THR C 49 25.843 26.238 -1.134 1.00 0.00 H new ATOM 0 HG1 THR C 49 24.694 27.224 0.632 1.00 0.00 H new ATOM 0 HG21 THR C 49 27.061 26.844 0.937 1.00 0.00 H new ATOM 0 HG22 THR C 49 28.088 27.075 -0.499 1.00 0.00 H new ATOM 0 HG23 THR C 49 27.339 28.481 0.295 1.00 0.00 H new ATOM 664 N THR C 50 27.959 26.577 -2.736 1.00 0.00 N ATOM 665 CA THR C 50 29.295 26.227 -3.296 1.00 0.00 C ATOM 666 C THR C 50 29.160 25.944 -4.794 1.00 0.00 C ATOM 667 O THR C 50 29.798 26.573 -5.615 1.00 0.00 O ATOM 668 CB THR C 50 29.835 24.983 -2.587 1.00 0.00 C ATOM 669 OG1 THR C 50 30.114 25.298 -1.230 1.00 0.00 O ATOM 670 CG2 THR C 50 31.117 24.516 -3.279 1.00 0.00 C ATOM 0 H THR C 50 27.420 25.790 -2.375 1.00 0.00 H new ATOM 0 HA THR C 50 29.983 27.058 -3.144 1.00 0.00 H new ATOM 0 HB THR C 50 29.091 24.187 -2.630 1.00 0.00 H new ATOM 0 HG1 THR C 50 30.458 24.502 -0.774 1.00 0.00 H new ATOM 0 HG21 THR C 50 31.501 23.630 -2.774 1.00 0.00 H new ATOM 0 HG22 THR C 50 30.902 24.275 -4.320 1.00 0.00 H new ATOM 0 HG23 THR C 50 31.863 25.310 -3.237 1.00 0.00 H new ATOM 678 N GLY C 51 28.335 25.001 -5.157 1.00 0.00 N ATOM 679 CA GLY C 51 28.160 24.677 -6.601 1.00 0.00 C ATOM 680 C GLY C 51 28.281 23.166 -6.802 1.00 0.00 C ATOM 681 O GLY C 51 29.068 22.698 -7.602 1.00 0.00 O ATOM 0 H GLY C 51 27.774 24.440 -4.516 1.00 0.00 H new ATOM 0 HA2 GLY C 51 27.186 25.024 -6.947 1.00 0.00 H new ATOM 0 HA3 GLY C 51 28.913 25.195 -7.195 1.00 0.00 H new ATOM 685 N GLN C 52 27.509 22.397 -6.084 1.00 0.00 N ATOM 686 CA GLN C 52 27.582 20.917 -6.235 1.00 0.00 C ATOM 687 C GLN C 52 26.196 20.372 -6.585 1.00 0.00 C ATOM 688 O GLN C 52 25.191 20.834 -6.082 1.00 0.00 O ATOM 689 CB GLN C 52 28.059 20.292 -4.922 1.00 0.00 C ATOM 690 CG GLN C 52 29.231 21.102 -4.364 1.00 0.00 C ATOM 691 CD GLN C 52 30.512 20.731 -5.117 1.00 0.00 C ATOM 692 OE1 GLN C 52 30.462 20.070 -6.134 1.00 0.00 O ATOM 693 NE2 GLN C 52 31.665 21.133 -4.655 1.00 0.00 N ATOM 0 H GLN C 52 26.831 22.730 -5.399 1.00 0.00 H new ATOM 0 HA GLN C 52 28.283 20.667 -7.031 1.00 0.00 H new ATOM 0 HB2 GLN C 52 27.243 20.270 -4.200 1.00 0.00 H new ATOM 0 HB3 GLN C 52 28.364 19.259 -5.089 1.00 0.00 H new ATOM 0 HG2 GLN C 52 29.032 22.169 -4.467 1.00 0.00 H new ATOM 0 HG3 GLN C 52 29.351 20.902 -3.299 1.00 0.00 H new ATOM 0 HE21 GLN C 52 31.706 21.688 -3.800 1.00 0.00 H new ATOM 0 HE22 GLN C 52 32.524 20.892 -5.149 1.00 0.00 H new ATOM 702 N THR C 53 26.134 19.391 -7.444 1.00 0.00 N ATOM 703 CA THR C 53 24.814 18.815 -7.826 1.00 0.00 C ATOM 704 C THR C 53 24.351 17.847 -6.735 1.00 0.00 C ATOM 705 O THR C 53 25.146 17.321 -5.981 1.00 0.00 O ATOM 706 CB THR C 53 24.954 18.065 -9.155 1.00 0.00 C ATOM 707 OG1 THR C 53 25.041 19.003 -10.218 1.00 0.00 O ATOM 708 CG2 THR C 53 23.738 17.160 -9.370 1.00 0.00 C ATOM 0 H THR C 53 26.941 18.964 -7.898 1.00 0.00 H new ATOM 0 HA THR C 53 24.081 19.614 -7.937 1.00 0.00 H new ATOM 0 HB THR C 53 25.856 17.454 -9.131 1.00 0.00 H new ATOM 0 HG1 THR C 53 25.132 18.526 -11.069 1.00 0.00 H new ATOM 0 HG21 THR C 53 23.842 16.629 -10.316 1.00 0.00 H new ATOM 0 HG22 THR C 53 23.672 16.439 -8.555 1.00 0.00 H new ATOM 0 HG23 THR C 53 22.833 17.766 -9.392 1.00 0.00 H new ATOM 716 N GLY C 54 23.071 17.607 -6.643 1.00 0.00 N ATOM 717 CA GLY C 54 22.566 16.672 -5.600 1.00 0.00 C ATOM 718 C GLY C 54 21.065 16.449 -5.791 1.00 0.00 C ATOM 719 O GLY C 54 20.270 17.358 -5.663 1.00 0.00 O ATOM 0 H GLY C 54 22.356 18.017 -7.244 1.00 0.00 H new ATOM 0 HA2 GLY C 54 23.096 15.721 -5.663 1.00 0.00 H new ATOM 0 HA3 GLY C 54 22.760 17.080 -4.608 1.00 0.00 H new ATOM 723 N TYR C 55 20.669 15.242 -6.099 1.00 0.00 N ATOM 724 CA TYR C 55 19.224 14.960 -6.299 1.00 0.00 C ATOM 725 C TYR C 55 18.477 15.177 -4.982 1.00 0.00 C ATOM 726 O TYR C 55 18.545 14.369 -4.077 1.00 0.00 O ATOM 727 CB TYR C 55 19.054 13.510 -6.751 1.00 0.00 C ATOM 728 CG TYR C 55 20.160 13.154 -7.747 1.00 0.00 C ATOM 729 CD1 TYR C 55 20.324 13.890 -8.902 1.00 0.00 C ATOM 730 CD2 TYR C 55 21.009 12.094 -7.503 1.00 0.00 C ATOM 731 CE1 TYR C 55 21.321 13.572 -9.800 1.00 0.00 C ATOM 732 CE2 TYR C 55 22.008 11.775 -8.401 1.00 0.00 C ATOM 733 CZ TYR C 55 22.171 12.512 -9.557 1.00 0.00 C ATOM 734 OH TYR C 55 23.170 12.194 -10.454 1.00 0.00 O ATOM 0 H TYR C 55 21.288 14.440 -6.220 1.00 0.00 H new ATOM 0 HA TYR C 55 18.819 15.629 -7.058 1.00 0.00 H new ATOM 0 HB2 TYR C 55 19.096 12.842 -5.891 1.00 0.00 H new ATOM 0 HB3 TYR C 55 18.076 13.374 -7.213 1.00 0.00 H new ATOM 0 HD1 TYR C 55 19.666 14.722 -9.105 1.00 0.00 H new ATOM 0 HD2 TYR C 55 20.891 11.509 -6.603 1.00 0.00 H new ATOM 0 HE1 TYR C 55 21.438 14.157 -10.700 1.00 0.00 H new ATOM 0 HE2 TYR C 55 22.666 10.943 -8.198 1.00 0.00 H new ATOM 0 HH TYR C 55 23.673 11.421 -10.123 1.00 0.00 H new ATOM 744 N ILE C 56 17.765 16.265 -4.867 1.00 0.00 N ATOM 745 CA ILE C 56 17.014 16.533 -3.608 1.00 0.00 C ATOM 746 C ILE C 56 15.662 15.814 -3.655 1.00 0.00 C ATOM 747 O ILE C 56 15.055 15.711 -4.703 1.00 0.00 O ATOM 748 CB ILE C 56 16.786 18.039 -3.464 1.00 0.00 C ATOM 749 CG1 ILE C 56 15.974 18.548 -4.656 1.00 0.00 C ATOM 750 CG2 ILE C 56 18.136 18.758 -3.426 1.00 0.00 C ATOM 751 CD1 ILE C 56 14.545 18.861 -4.205 1.00 0.00 C ATOM 0 H ILE C 56 17.671 16.979 -5.590 1.00 0.00 H new ATOM 0 HA ILE C 56 17.589 16.168 -2.757 1.00 0.00 H new ATOM 0 HB ILE C 56 16.241 18.237 -2.541 1.00 0.00 H new ATOM 0 HG12 ILE C 56 16.439 19.442 -5.071 1.00 0.00 H new ATOM 0 HG13 ILE C 56 15.961 17.798 -5.447 1.00 0.00 H new ATOM 0 HG21 ILE C 56 17.974 19.831 -3.323 1.00 0.00 H new ATOM 0 HG22 ILE C 56 18.717 18.396 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE C 56 18.680 18.560 -4.350 1.00 0.00 H new ATOM 0 HD11 ILE C 56 13.967 19.224 -5.055 1.00 0.00 H new ATOM 0 HD12 ILE C 56 14.082 17.957 -3.810 1.00 0.00 H new ATOM 0 HD13 ILE C 56 14.568 19.626 -3.429 1.00 0.00 H new ATOM 763 N PRO C 57 15.230 15.334 -2.514 1.00 0.00 N ATOM 764 CA PRO C 57 13.947 14.617 -2.402 1.00 0.00 C ATOM 765 C PRO C 57 12.790 15.550 -2.769 1.00 0.00 C ATOM 766 O PRO C 57 12.762 16.702 -2.385 1.00 0.00 O ATOM 767 CB PRO C 57 13.857 14.198 -0.929 1.00 0.00 C ATOM 768 CG PRO C 57 15.119 14.739 -0.207 1.00 0.00 C ATOM 769 CD PRO C 57 15.982 15.463 -1.252 1.00 0.00 C ATOM 0 HA PRO C 57 13.889 13.760 -3.073 1.00 0.00 H new ATOM 0 HB2 PRO C 57 12.953 14.600 -0.472 1.00 0.00 H new ATOM 0 HB3 PRO C 57 13.803 13.113 -0.843 1.00 0.00 H new ATOM 0 HG2 PRO C 57 14.838 15.421 0.595 1.00 0.00 H new ATOM 0 HG3 PRO C 57 15.677 13.922 0.250 1.00 0.00 H new ATOM 0 HD2 PRO C 57 16.132 16.509 -0.986 1.00 0.00 H new ATOM 0 HD3 PRO C 57 16.970 15.010 -1.332 1.00 0.00 H new ATOM 777 N SER C 58 11.835 15.061 -3.512 1.00 0.00 N ATOM 778 CA SER C 58 10.682 15.917 -3.903 1.00 0.00 C ATOM 779 C SER C 58 9.779 16.151 -2.690 1.00 0.00 C ATOM 780 O SER C 58 9.094 17.150 -2.598 1.00 0.00 O ATOM 781 CB SER C 58 9.884 15.216 -5.004 1.00 0.00 C ATOM 782 OG SER C 58 8.762 14.559 -4.432 1.00 0.00 O ATOM 0 H SER C 58 11.804 14.104 -3.865 1.00 0.00 H new ATOM 0 HA SER C 58 11.049 16.876 -4.269 1.00 0.00 H new ATOM 0 HB2 SER C 58 9.554 15.942 -5.747 1.00 0.00 H new ATOM 0 HB3 SER C 58 10.516 14.495 -5.522 1.00 0.00 H new ATOM 0 HG SER C 58 8.250 14.112 -5.138 1.00 0.00 H new ATOM 788 N ASN C 59 9.772 15.237 -1.759 1.00 0.00 N ATOM 789 CA ASN C 59 8.918 15.401 -0.556 1.00 0.00 C ATOM 790 C ASN C 59 9.638 16.269 0.481 1.00 0.00 C ATOM 791 O ASN C 59 9.242 16.334 1.629 1.00 0.00 O ATOM 792 CB ASN C 59 8.636 14.024 0.039 1.00 0.00 C ATOM 793 CG ASN C 59 9.942 13.401 0.538 1.00 0.00 C ATOM 794 OD1 ASN C 59 10.986 13.592 -0.054 1.00 0.00 O ATOM 795 ND2 ASN C 59 9.929 12.657 1.610 1.00 0.00 N ATOM 0 H ASN C 59 10.325 14.380 -1.783 1.00 0.00 H new ATOM 0 HA ASN C 59 7.982 15.886 -0.835 1.00 0.00 H new ATOM 0 HB2 ASN C 59 7.926 14.111 0.861 1.00 0.00 H new ATOM 0 HB3 ASN C 59 8.178 13.380 -0.711 1.00 0.00 H new ATOM 0 HD21 ASN C 59 10.794 12.237 1.950 1.00 0.00 H new ATOM 0 HD22 ASN C 59 9.054 12.496 2.108 1.00 0.00 H new ATOM 802 N TYR C 60 10.691 16.936 0.093 1.00 0.00 N ATOM 803 CA TYR C 60 11.426 17.795 1.066 1.00 0.00 C ATOM 804 C TYR C 60 11.543 19.220 0.517 1.00 0.00 C ATOM 805 O TYR C 60 11.943 20.131 1.216 1.00 0.00 O ATOM 806 CB TYR C 60 12.825 17.223 1.294 1.00 0.00 C ATOM 807 CG TYR C 60 12.793 16.258 2.481 1.00 0.00 C ATOM 808 CD1 TYR C 60 12.041 15.102 2.422 1.00 0.00 C ATOM 809 CD2 TYR C 60 13.514 16.530 3.624 1.00 0.00 C ATOM 810 CE1 TYR C 60 12.012 14.231 3.492 1.00 0.00 C ATOM 811 CE2 TYR C 60 13.486 15.659 4.695 1.00 0.00 C ATOM 812 CZ TYR C 60 12.735 14.503 4.636 1.00 0.00 C ATOM 813 OH TYR C 60 12.706 13.630 5.705 1.00 0.00 O ATOM 0 H TYR C 60 11.073 16.924 -0.853 1.00 0.00 H new ATOM 0 HA TYR C 60 10.880 17.817 2.009 1.00 0.00 H new ATOM 0 HB2 TYR C 60 13.168 16.704 0.399 1.00 0.00 H new ATOM 0 HB3 TYR C 60 13.533 18.030 1.486 1.00 0.00 H new ATOM 0 HD1 TYR C 60 11.471 14.878 1.532 1.00 0.00 H new ATOM 0 HD2 TYR C 60 14.106 17.432 3.682 1.00 0.00 H new ATOM 0 HE1 TYR C 60 11.419 13.330 3.434 1.00 0.00 H new ATOM 0 HE2 TYR C 60 14.056 15.884 5.585 1.00 0.00 H new ATOM 0 HH TYR C 60 11.958 13.006 5.598 1.00 0.00 H new ATOM 823 N VAL C 61 11.199 19.422 -0.727 1.00 0.00 N ATOM 824 CA VAL C 61 11.295 20.792 -1.309 1.00 0.00 C ATOM 825 C VAL C 61 9.957 21.190 -1.920 1.00 0.00 C ATOM 826 O VAL C 61 9.060 20.385 -2.075 1.00 0.00 O ATOM 827 CB VAL C 61 12.370 20.812 -2.395 1.00 0.00 C ATOM 828 CG1 VAL C 61 11.999 19.824 -3.502 1.00 0.00 C ATOM 829 CG2 VAL C 61 12.494 22.215 -2.989 1.00 0.00 C ATOM 0 H VAL C 61 10.857 18.701 -1.363 1.00 0.00 H new ATOM 0 HA VAL C 61 11.556 21.497 -0.520 1.00 0.00 H new ATOM 0 HB VAL C 61 13.324 20.527 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL C 61 12.767 19.839 -4.276 1.00 0.00 H new ATOM 0 HG12 VAL C 61 11.925 18.820 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL C 61 11.040 20.107 -3.936 1.00 0.00 H new ATOM 0 HG21 VAL C 61 13.263 22.216 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL C 61 11.540 22.511 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL C 61 12.767 22.920 -2.204 1.00 0.00 H new ATOM 839 N ALA C 62 9.823 22.435 -2.268 1.00 0.00 N ATOM 840 CA ALA C 62 8.549 22.912 -2.874 1.00 0.00 C ATOM 841 C ALA C 62 8.809 24.209 -3.650 1.00 0.00 C ATOM 842 O ALA C 62 9.613 25.022 -3.239 1.00 0.00 O ATOM 843 CB ALA C 62 7.525 23.177 -1.769 1.00 0.00 C ATOM 0 H ALA C 62 10.544 23.149 -2.159 1.00 0.00 H new ATOM 0 HA ALA C 62 8.162 22.152 -3.552 1.00 0.00 H new ATOM 0 HB1 ALA C 62 6.593 23.526 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA C 62 7.341 22.256 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA C 62 7.911 23.938 -1.090 1.00 0.00 H new ATOM 849 N PRO C 63 8.119 24.364 -4.753 1.00 0.00 N ATOM 850 CA PRO C 63 8.261 25.558 -5.606 1.00 0.00 C ATOM 851 C PRO C 63 7.866 26.816 -4.825 1.00 0.00 C ATOM 852 O PRO C 63 6.701 27.129 -4.685 1.00 0.00 O ATOM 853 CB PRO C 63 7.298 25.324 -6.776 1.00 0.00 C ATOM 854 CG PRO C 63 6.601 23.957 -6.548 1.00 0.00 C ATOM 855 CD PRO C 63 7.148 23.367 -5.239 1.00 0.00 C ATOM 0 HA PRO C 63 9.286 25.706 -5.945 1.00 0.00 H new ATOM 0 HB2 PRO C 63 6.561 26.125 -6.830 1.00 0.00 H new ATOM 0 HB3 PRO C 63 7.839 25.324 -7.722 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.520 24.084 -6.488 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.797 23.284 -7.382 1.00 0.00 H new ATOM 0 HD2 PRO C 63 6.350 23.206 -4.514 1.00 0.00 H new ATOM 0 HD3 PRO C 63 7.624 22.401 -5.409 1.00 0.00 H new ATOM 863 N SER C 64 8.828 27.538 -4.317 1.00 0.00 N ATOM 864 CA SER C 64 8.505 28.774 -3.548 1.00 0.00 C ATOM 865 C SER C 64 9.750 29.660 -3.464 1.00 0.00 C ATOM 866 O SER C 64 10.250 30.046 -4.507 1.00 0.00 O ATOM 867 CB SER C 64 8.053 28.394 -2.137 1.00 0.00 C ATOM 868 OG SER C 64 9.164 27.904 -1.399 1.00 0.00 O ATOM 869 OXT SER C 64 10.181 29.937 -2.357 1.00 0.00 O ATOM 0 H SER C 64 9.822 27.326 -4.401 1.00 0.00 H new ATOM 0 HA SER C 64 7.705 29.317 -4.051 1.00 0.00 H new ATOM 0 HB2 SER C 64 7.624 29.261 -1.635 1.00 0.00 H new ATOM 0 HB3 SER C 64 7.272 27.635 -2.186 1.00 0.00 H new ATOM 0 HG SER C 64 8.875 27.662 -0.494 1.00 0.00 H new ATOM 876 N ALA A 71 6.475 13.417 14.726 1.00 0.00 N ATOM 877 CA ALA A 71 6.499 14.807 14.189 1.00 0.00 C ATOM 878 C ALA A 71 7.859 15.082 13.544 1.00 0.00 C ATOM 879 O ALA A 71 8.732 15.677 14.143 1.00 0.00 O ATOM 880 CB ALA A 71 6.267 15.798 15.331 1.00 0.00 C ATOM 0 HA ALA A 71 5.713 14.922 13.442 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.284 16.815 14.939 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.298 15.603 15.791 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.053 15.683 16.078 1.00 0.00 H new ATOM 888 N PHE A 72 8.046 14.651 12.327 1.00 0.00 N ATOM 889 CA PHE A 72 9.350 14.888 11.646 1.00 0.00 C ATOM 890 C PHE A 72 9.128 14.960 10.133 1.00 0.00 C ATOM 891 O PHE A 72 8.010 14.938 9.658 1.00 0.00 O ATOM 892 CB PHE A 72 10.309 13.740 11.966 1.00 0.00 C ATOM 893 CG PHE A 72 11.744 14.272 12.013 1.00 0.00 C ATOM 894 CD1 PHE A 72 12.055 15.384 12.774 1.00 0.00 C ATOM 895 CD2 PHE A 72 12.746 13.647 11.294 1.00 0.00 C ATOM 896 CE1 PHE A 72 13.348 15.863 12.815 1.00 0.00 C ATOM 897 CE2 PHE A 72 14.040 14.127 11.336 1.00 0.00 C ATOM 898 CZ PHE A 72 14.340 15.235 12.096 1.00 0.00 C ATOM 0 H PHE A 72 7.353 14.145 11.775 1.00 0.00 H new ATOM 0 HA PHE A 72 9.778 15.827 11.997 1.00 0.00 H new ATOM 0 HB2 PHE A 72 10.046 13.288 12.922 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.224 12.959 11.210 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.281 15.881 13.340 1.00 0.00 H new ATOM 0 HD2 PHE A 72 12.515 12.778 10.696 1.00 0.00 H new ATOM 0 HE1 PHE A 72 13.582 16.732 13.412 1.00 0.00 H new ATOM 0 HE2 PHE A 72 14.817 13.633 10.772 1.00 0.00 H new ATOM 0 HZ PHE A 72 15.352 15.611 12.128 1.00 0.00 H new ATOM 908 N ALA A 73 10.185 15.045 9.372 1.00 0.00 N ATOM 909 CA ALA A 73 10.034 15.117 7.892 1.00 0.00 C ATOM 910 C ALA A 73 9.480 13.787 7.370 1.00 0.00 C ATOM 911 O ALA A 73 9.732 12.746 7.944 1.00 0.00 O ATOM 912 CB ALA A 73 11.396 15.391 7.254 1.00 0.00 C ATOM 0 H ALA A 73 11.146 15.068 9.712 1.00 0.00 H new ATOM 0 HA ALA A 73 9.345 15.922 7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.286 15.444 6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.788 16.338 7.626 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.086 14.587 7.510 1.00 0.00 H new ATOM 918 N PRO A 74 8.741 13.864 6.292 1.00 0.00 N ATOM 919 CA PRO A 74 8.137 12.674 5.667 1.00 0.00 C ATOM 920 C PRO A 74 9.231 11.698 5.218 1.00 0.00 C ATOM 921 O PRO A 74 10.311 12.111 4.844 1.00 0.00 O ATOM 922 CB PRO A 74 7.365 13.213 4.456 1.00 0.00 C ATOM 923 CG PRO A 74 7.564 14.751 4.417 1.00 0.00 C ATOM 924 CD PRO A 74 8.449 15.140 5.612 1.00 0.00 C ATOM 0 HA PRO A 74 7.490 12.129 6.354 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.730 12.757 3.536 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.306 12.966 4.536 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.033 15.052 3.480 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.603 15.262 4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.364 15.632 5.283 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.935 15.834 6.276 1.00 0.00 H new ATOM 932 N PRO A 75 8.916 10.427 5.268 1.00 0.00 N ATOM 933 CA PRO A 75 9.861 9.369 4.869 1.00 0.00 C ATOM 934 C PRO A 75 10.238 9.529 3.393 1.00 0.00 C ATOM 935 O PRO A 75 9.581 10.226 2.647 1.00 0.00 O ATOM 936 CB PRO A 75 9.098 8.055 5.092 1.00 0.00 C ATOM 937 CG PRO A 75 7.685 8.416 5.622 1.00 0.00 C ATOM 938 CD PRO A 75 7.599 9.946 5.724 1.00 0.00 C ATOM 0 HA PRO A 75 10.789 9.404 5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.025 7.492 4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.625 7.423 5.807 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.916 8.034 4.951 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.514 7.958 6.596 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.796 10.340 5.101 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.394 10.264 6.746 1.00 0.00 H new ATOM 946 N LEU A 76 11.292 8.887 2.968 1.00 0.00 N ATOM 947 CA LEU A 76 11.708 9.005 1.542 1.00 0.00 C ATOM 948 C LEU A 76 11.022 7.907 0.719 1.00 0.00 C ATOM 949 O LEU A 76 10.871 6.794 1.183 1.00 0.00 O ATOM 950 CB LEU A 76 13.226 8.845 1.440 1.00 0.00 C ATOM 951 CG LEU A 76 13.911 9.910 2.297 1.00 0.00 C ATOM 952 CD1 LEU A 76 15.383 9.541 2.488 1.00 0.00 C ATOM 953 CD2 LEU A 76 13.813 11.268 1.598 1.00 0.00 C ATOM 0 H LEU A 76 11.882 8.287 3.545 1.00 0.00 H new ATOM 0 HA LEU A 76 11.419 9.983 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.520 7.850 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.543 8.940 0.401 1.00 0.00 H new ATOM 0 HG LEU A 76 13.421 9.965 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.872 10.300 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.454 8.574 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.873 9.486 1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.301 12.028 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.304 11.213 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.764 11.532 1.461 1.00 0.00 H new ATOM 965 N PRO A 77 10.628 8.252 -0.482 1.00 0.00 N ATOM 966 CA PRO A 77 9.955 7.304 -1.388 1.00 0.00 C ATOM 967 C PRO A 77 10.889 6.135 -1.717 1.00 0.00 C ATOM 968 O PRO A 77 11.970 6.019 -1.176 1.00 0.00 O ATOM 969 CB PRO A 77 9.643 8.118 -2.650 1.00 0.00 C ATOM 970 CG PRO A 77 10.185 9.554 -2.431 1.00 0.00 C ATOM 971 CD PRO A 77 10.818 9.607 -1.031 1.00 0.00 C ATOM 0 HA PRO A 77 9.055 6.875 -0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.109 7.663 -3.524 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.569 8.139 -2.836 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.922 9.805 -3.194 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.379 10.284 -2.514 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.875 9.868 -1.084 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.335 10.359 -0.406 1.00 0.00 H new ATOM 979 N ARG A 78 10.479 5.268 -2.603 1.00 0.00 N ATOM 980 CA ARG A 78 11.342 4.110 -2.967 1.00 0.00 C ATOM 981 C ARG A 78 12.235 4.493 -4.148 1.00 0.00 C ATOM 982 O ARG A 78 11.820 4.460 -5.289 1.00 0.00 O ATOM 983 CB ARG A 78 10.461 2.921 -3.358 1.00 0.00 C ATOM 984 CG ARG A 78 11.068 1.631 -2.800 1.00 0.00 C ATOM 985 CD ARG A 78 10.147 1.060 -1.719 1.00 0.00 C ATOM 986 NE ARG A 78 9.740 2.149 -0.787 1.00 0.00 N ATOM 987 CZ ARG A 78 10.570 2.573 0.128 1.00 0.00 C ATOM 988 NH1 ARG A 78 11.759 2.043 0.234 1.00 0.00 N ATOM 989 NH2 ARG A 78 10.210 3.529 0.941 1.00 0.00 N ATOM 0 H ARG A 78 9.584 5.312 -3.090 1.00 0.00 H new ATOM 0 HA ARG A 78 11.964 3.837 -2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.452 3.059 -2.969 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.378 2.857 -4.443 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.202 0.903 -3.600 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.055 1.831 -2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.266 0.611 -2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.659 0.270 -1.170 1.00 0.00 H new ATOM 0 HE ARG A 78 8.811 2.564 -0.864 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.042 1.295 -0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.404 2.377 0.950 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.282 3.944 0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.857 3.861 1.656 1.00 0.00 H new ATOM 1003 N ARG A 79 13.461 4.858 -3.885 1.00 0.00 N ATOM 1004 CA ARG A 79 14.379 5.243 -4.993 1.00 0.00 C ATOM 1005 C ARG A 79 14.439 4.114 -6.024 1.00 0.00 C ATOM 1006 O ARG A 79 15.246 4.210 -6.932 1.00 0.00 O ATOM 1007 CB ARG A 79 15.779 5.495 -4.430 1.00 0.00 C ATOM 1008 CG ARG A 79 16.162 6.961 -4.649 1.00 0.00 C ATOM 1009 CD ARG A 79 17.677 7.120 -4.504 1.00 0.00 C ATOM 1010 NE ARG A 79 17.975 7.985 -3.326 1.00 0.00 N ATOM 1011 CZ ARG A 79 19.189 8.044 -2.847 1.00 0.00 C ATOM 1012 NH1 ARG A 79 20.148 7.349 -3.397 1.00 0.00 N ATOM 1013 NH2 ARG A 79 19.444 8.802 -1.815 1.00 0.00 N ATOM 1014 OXT ARG A 79 13.676 3.171 -5.886 1.00 0.00 O ATOM 0 H ARG A 79 13.866 4.906 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 79 14.010 6.150 -5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 79 15.803 5.257 -3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 79 16.502 4.842 -4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 79 15.845 7.287 -5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 79 15.648 7.594 -3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 79 18.146 6.144 -4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 79 18.095 7.562 -5.408 1.00 0.00 H new ATOM 0 HE ARG A 79 17.230 8.531 -2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 79 19.951 6.757 -4.204 1.00 0.00 H new ATOM 0 HH12 ARG A 79 21.094 7.398 -3.020 1.00 0.00 H new ATOM 0 HH21 ARG A 79 18.696 9.346 -1.385 1.00 0.00 H new ATOM 0 HH22 ARG A 79 20.391 8.850 -1.439 1.00 0.00 H new