USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 472 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 43 THR OG1 : rot 180:sc= 1.47 USER MOD Set 1.2: A 44 THR OG1 : rot 51:sc= -1.91! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.136 (180deg=-0.868) USER MOD Single : A 9 ASN : amide:sc= -0.0656 X(o=-0.066,f=-0.16) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.67! C(o=-1.7!,f=-6!) USER MOD Single : A 16 GLN : amide:sc= -3.5! K(o=-3.5!,f=0.12) USER MOD Single : A 17 SER OG : rot -74:sc= 0.368 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -6:sc= 0.00013 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -102:sc= 0.413 USER MOD Single : A 27 SER OG : rot 180:sc= -0.332 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -3.44! C(o=-3.4!,f=-3.4!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.052) USER MOD Single : A 59 HIS : no HD1:sc= -0.214 K(o=-0.21,f=-0.78) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 61 HIS : no HE2:sc=-0.00441 X(o=-0.0044,f=-0.32) USER MOD Single : A 62 HIS : no HE2:sc= 0.0831 K(o=0.083,f=-0.53) USER MOD Single : A 63 HIS : no HD1:sc= -0.178 K(o=-0.18,f=-1.9) USER MOD Single : A 64 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 45.264 -10.629 48.031 1.00 1.00 N ATOM 2 CA MET A 1 46.124 -10.711 46.818 1.00 1.00 C ATOM 3 C MET A 1 46.243 -12.167 46.379 1.00 1.00 C ATOM 4 O MET A 1 46.994 -12.943 46.968 1.00 1.00 O ATOM 5 CB MET A 1 47.510 -10.149 47.140 1.00 1.00 C ATOM 6 CG MET A 1 47.396 -8.654 47.448 1.00 1.00 C ATOM 7 SD MET A 1 48.947 -8.068 48.174 1.00 1.00 S ATOM 8 CE MET A 1 48.301 -7.703 49.825 1.00 1.00 C ATOM 0 H1 MET A 1 44.796 -9.701 48.063 1.00 1.00 H new ATOM 0 H2 MET A 1 44.544 -11.379 47.997 1.00 1.00 H new ATOM 0 H3 MET A 1 45.851 -10.750 48.881 1.00 1.00 H new ATOM 0 HA MET A 1 45.679 -10.129 46.011 1.00 1.00 H new ATOM 0 HB2 MET A 1 47.938 -10.675 47.993 1.00 1.00 H new ATOM 0 HB3 MET A 1 48.183 -10.307 46.297 1.00 1.00 H new ATOM 0 HG2 MET A 1 47.177 -8.099 46.536 1.00 1.00 H new ATOM 0 HG3 MET A 1 46.570 -8.475 48.136 1.00 1.00 H new ATOM 0 HE1 MET A 1 49.105 -7.321 50.454 1.00 1.00 H new ATOM 0 HE2 MET A 1 47.512 -6.955 49.750 1.00 1.00 H new ATOM 0 HE3 MET A 1 47.897 -8.614 50.267 1.00 1.00 H new ATOM 20 N GLU A 2 45.495 -12.530 45.341 1.00 1.00 N ATOM 21 CA GLU A 2 45.525 -13.896 44.832 1.00 1.00 C ATOM 22 C GLU A 2 45.502 -14.897 45.982 1.00 1.00 C ATOM 23 O GLU A 2 46.415 -15.711 46.128 1.00 1.00 O ATOM 24 CB GLU A 2 46.784 -14.113 43.989 1.00 1.00 C ATOM 25 CG GLU A 2 46.866 -13.034 42.907 1.00 1.00 C ATOM 26 CD GLU A 2 47.969 -13.376 41.913 1.00 1.00 C ATOM 27 OE1 GLU A 2 48.863 -14.120 42.282 1.00 1.00 O ATOM 28 OE2 GLU A 2 47.905 -12.890 40.796 1.00 1.00 O ATOM 0 H GLU A 2 44.866 -11.903 44.840 1.00 1.00 H new ATOM 0 HA GLU A 2 44.642 -14.052 44.212 1.00 1.00 H new ATOM 0 HB2 GLU A 2 47.670 -14.075 44.623 1.00 1.00 H new ATOM 0 HB3 GLU A 2 46.762 -15.102 43.531 1.00 1.00 H new ATOM 0 HG2 GLU A 2 45.910 -12.953 42.389 1.00 1.00 H new ATOM 0 HG3 GLU A 2 47.064 -12.064 43.363 1.00 1.00 H new ATOM 35 N GLU A 3 44.454 -14.832 46.798 1.00 1.00 N ATOM 36 CA GLU A 3 44.324 -15.737 47.932 1.00 1.00 C ATOM 37 C GLU A 3 42.856 -15.921 48.305 1.00 1.00 C ATOM 38 O GLU A 3 42.279 -15.100 49.019 1.00 1.00 O ATOM 39 CB GLU A 3 45.092 -15.184 49.133 1.00 1.00 C ATOM 40 CG GLU A 3 46.322 -16.054 49.398 1.00 1.00 C ATOM 41 CD GLU A 3 45.893 -17.425 49.910 1.00 1.00 C ATOM 42 OE1 GLU A 3 44.946 -17.477 50.678 1.00 1.00 O ATOM 43 OE2 GLU A 3 46.516 -18.400 49.528 1.00 1.00 O ATOM 0 H GLU A 3 43.688 -14.166 46.695 1.00 1.00 H new ATOM 0 HA GLU A 3 44.740 -16.704 47.650 1.00 1.00 H new ATOM 0 HB2 GLU A 3 45.396 -14.155 48.941 1.00 1.00 H new ATOM 0 HB3 GLU A 3 44.449 -15.167 50.013 1.00 1.00 H new ATOM 0 HG2 GLU A 3 46.903 -16.164 48.482 1.00 1.00 H new ATOM 0 HG3 GLU A 3 46.969 -15.570 50.130 1.00 1.00 H new ATOM 50 N GLY A 4 42.258 -17.003 47.817 1.00 1.00 N ATOM 51 CA GLY A 4 40.856 -17.285 48.106 1.00 1.00 C ATOM 52 C GLY A 4 40.143 -17.824 46.871 1.00 1.00 C ATOM 53 O GLY A 4 39.565 -18.911 46.902 1.00 1.00 O ATOM 0 H GLY A 4 42.718 -17.694 47.224 1.00 1.00 H new ATOM 0 HA2 GLY A 4 40.787 -18.011 48.916 1.00 1.00 H new ATOM 0 HA3 GLY A 4 40.361 -16.376 48.449 1.00 1.00 H new ATOM 57 N GLY A 5 40.188 -17.058 45.786 1.00 1.00 N ATOM 58 CA GLY A 5 39.542 -17.471 44.546 1.00 1.00 C ATOM 59 C GLY A 5 38.028 -17.323 44.644 1.00 1.00 C ATOM 60 O GLY A 5 37.361 -18.107 45.320 1.00 1.00 O ATOM 0 H GLY A 5 40.661 -16.155 45.740 1.00 1.00 H new ATOM 0 HA2 GLY A 5 39.917 -16.869 43.718 1.00 1.00 H new ATOM 0 HA3 GLY A 5 39.796 -18.508 44.327 1.00 1.00 H new ATOM 64 N ASP A 6 37.491 -16.315 43.967 1.00 1.00 N ATOM 65 CA ASP A 6 36.053 -16.074 43.985 1.00 1.00 C ATOM 66 C ASP A 6 35.327 -17.103 43.123 1.00 1.00 C ATOM 67 O ASP A 6 35.897 -17.649 42.179 1.00 1.00 O ATOM 68 CB ASP A 6 35.752 -14.667 43.466 1.00 1.00 C ATOM 69 CG ASP A 6 34.730 -13.986 44.369 1.00 1.00 C ATOM 70 OD1 ASP A 6 34.972 -13.924 45.564 1.00 1.00 O ATOM 71 OD2 ASP A 6 33.720 -13.535 43.854 1.00 1.00 O ATOM 0 H ASP A 6 38.025 -15.655 43.402 1.00 1.00 H new ATOM 0 HA ASP A 6 35.701 -16.164 45.013 1.00 1.00 H new ATOM 0 HB2 ASP A 6 36.669 -14.079 43.433 1.00 1.00 H new ATOM 0 HB3 ASP A 6 35.370 -14.720 42.446 1.00 1.00 H new ATOM 76 N PHE A 7 34.066 -17.362 43.457 1.00 1.00 N ATOM 77 CA PHE A 7 33.271 -18.327 42.707 1.00 1.00 C ATOM 78 C PHE A 7 32.992 -17.813 41.298 1.00 1.00 C ATOM 79 O PHE A 7 32.846 -16.610 41.084 1.00 1.00 O ATOM 80 CB PHE A 7 31.949 -18.588 43.428 1.00 1.00 C ATOM 81 CG PHE A 7 32.227 -19.142 44.805 1.00 1.00 C ATOM 82 CD1 PHE A 7 32.648 -20.469 44.954 1.00 1.00 C ATOM 83 CD2 PHE A 7 32.064 -18.329 45.933 1.00 1.00 C ATOM 84 CE1 PHE A 7 32.907 -20.983 46.230 1.00 1.00 C ATOM 85 CE2 PHE A 7 32.323 -18.843 47.211 1.00 1.00 C ATOM 86 CZ PHE A 7 32.744 -20.171 47.358 1.00 1.00 C ATOM 0 H PHE A 7 33.577 -16.921 44.236 1.00 1.00 H new ATOM 0 HA PHE A 7 33.835 -19.257 42.637 1.00 1.00 H new ATOM 0 HB2 PHE A 7 31.376 -17.664 43.505 1.00 1.00 H new ATOM 0 HB3 PHE A 7 31.344 -19.292 42.857 1.00 1.00 H new ATOM 0 HD1 PHE A 7 32.773 -21.096 44.084 1.00 1.00 H new ATOM 0 HD2 PHE A 7 31.739 -17.306 45.818 1.00 1.00 H new ATOM 0 HE1 PHE A 7 33.233 -22.006 46.344 1.00 1.00 H new ATOM 0 HE2 PHE A 7 32.198 -18.216 48.081 1.00 1.00 H new ATOM 0 HZ PHE A 7 32.943 -20.568 48.342 1.00 1.00 H new ATOM 96 N ASP A 8 32.918 -18.733 40.342 1.00 1.00 N ATOM 97 CA ASP A 8 32.657 -18.361 38.956 1.00 1.00 C ATOM 98 C ASP A 8 31.743 -19.386 38.291 1.00 1.00 C ATOM 99 O ASP A 8 32.065 -19.919 37.229 1.00 1.00 O ATOM 100 CB ASP A 8 33.972 -18.269 38.182 1.00 1.00 C ATOM 101 CG ASP A 8 33.775 -17.442 36.915 1.00 1.00 C ATOM 102 OD1 ASP A 8 33.682 -16.231 37.031 1.00 1.00 O ATOM 103 OD2 ASP A 8 33.721 -18.033 35.849 1.00 1.00 O ATOM 0 H ASP A 8 33.034 -19.734 40.499 1.00 1.00 H new ATOM 0 HA ASP A 8 32.163 -17.389 38.947 1.00 1.00 H new ATOM 0 HB2 ASP A 8 34.740 -17.814 38.807 1.00 1.00 H new ATOM 0 HB3 ASP A 8 34.322 -19.268 37.923 1.00 1.00 H new ATOM 108 N ASN A 9 30.603 -19.653 38.925 1.00 1.00 N ATOM 109 CA ASN A 9 29.643 -20.615 38.392 1.00 1.00 C ATOM 110 C ASN A 9 28.351 -19.912 37.991 1.00 1.00 C ATOM 111 O ASN A 9 27.257 -20.440 38.192 1.00 1.00 O ATOM 112 CB ASN A 9 29.339 -21.683 39.444 1.00 1.00 C ATOM 113 CG ASN A 9 28.776 -22.932 38.772 1.00 1.00 C ATOM 114 OD1 ASN A 9 29.430 -23.525 37.914 1.00 1.00 O ATOM 115 ND2 ASN A 9 27.596 -23.371 39.117 1.00 1.00 N ATOM 0 H ASN A 9 30.323 -19.219 39.804 1.00 1.00 H new ATOM 0 HA ASN A 9 30.077 -21.086 37.510 1.00 1.00 H new ATOM 0 HB2 ASN A 9 30.247 -21.933 39.993 1.00 1.00 H new ATOM 0 HB3 ASN A 9 28.624 -21.297 40.170 1.00 1.00 H new ATOM 0 HD21 ASN A 9 27.214 -24.207 38.675 1.00 1.00 H new ATOM 0 HD22 ASN A 9 27.056 -22.878 39.828 1.00 1.00 H new ATOM 122 N TYR A 10 28.486 -18.720 37.424 1.00 1.00 N ATOM 123 CA TYR A 10 27.325 -17.950 36.997 1.00 1.00 C ATOM 124 C TYR A 10 26.568 -18.687 35.897 1.00 1.00 C ATOM 125 O TYR A 10 27.111 -18.948 34.823 1.00 1.00 O ATOM 126 CB TYR A 10 27.765 -16.577 36.486 1.00 1.00 C ATOM 127 CG TYR A 10 27.784 -15.596 37.634 1.00 1.00 C ATOM 128 CD1 TYR A 10 28.489 -15.902 38.804 1.00 1.00 C ATOM 129 CD2 TYR A 10 27.095 -14.381 37.530 1.00 1.00 C ATOM 130 CE1 TYR A 10 28.507 -14.994 39.869 1.00 1.00 C ATOM 131 CE2 TYR A 10 27.112 -13.473 38.595 1.00 1.00 C ATOM 132 CZ TYR A 10 27.819 -13.779 39.765 1.00 1.00 C ATOM 133 OH TYR A 10 27.836 -12.884 40.815 1.00 1.00 O ATOM 0 H TYR A 10 29.383 -18.267 37.250 1.00 1.00 H new ATOM 0 HA TYR A 10 26.664 -17.822 37.854 1.00 1.00 H new ATOM 0 HB2 TYR A 10 28.755 -16.645 36.035 1.00 1.00 H new ATOM 0 HB3 TYR A 10 27.084 -16.231 35.709 1.00 1.00 H new ATOM 0 HD1 TYR A 10 29.019 -16.839 38.885 1.00 1.00 H new ATOM 0 HD2 TYR A 10 26.550 -14.145 36.628 1.00 1.00 H new ATOM 0 HE1 TYR A 10 29.052 -15.231 40.771 1.00 1.00 H new ATOM 0 HE2 TYR A 10 26.580 -12.537 38.515 1.00 1.00 H new ATOM 0 HH TYR A 10 27.310 -12.092 40.578 1.00 1.00 H new ATOM 143 N TYR A 11 25.311 -19.019 36.172 1.00 1.00 N ATOM 144 CA TYR A 11 24.488 -19.727 35.197 1.00 1.00 C ATOM 145 C TYR A 11 24.425 -18.952 33.885 1.00 1.00 C ATOM 146 O TYR A 11 24.708 -17.754 33.847 1.00 1.00 O ATOM 147 CB TYR A 11 23.073 -19.917 35.747 1.00 1.00 C ATOM 148 CG TYR A 11 22.170 -18.839 35.199 1.00 1.00 C ATOM 149 CD1 TYR A 11 22.282 -17.526 35.668 1.00 1.00 C ATOM 150 CD2 TYR A 11 21.220 -19.154 34.220 1.00 1.00 C ATOM 151 CE1 TYR A 11 21.444 -16.526 35.160 1.00 1.00 C ATOM 152 CE2 TYR A 11 20.382 -18.154 33.711 1.00 1.00 C ATOM 153 CZ TYR A 11 20.493 -16.840 34.181 1.00 1.00 C ATOM 154 OH TYR A 11 19.668 -15.855 33.679 1.00 1.00 O ATOM 0 H TYR A 11 24.843 -18.812 37.054 1.00 1.00 H new ATOM 0 HA TYR A 11 24.939 -20.701 35.009 1.00 1.00 H new ATOM 0 HB2 TYR A 11 22.693 -20.900 35.470 1.00 1.00 H new ATOM 0 HB3 TYR A 11 23.086 -19.876 36.836 1.00 1.00 H new ATOM 0 HD1 TYR A 11 23.016 -17.283 36.423 1.00 1.00 H new ATOM 0 HD2 TYR A 11 21.133 -20.168 33.858 1.00 1.00 H new ATOM 0 HE1 TYR A 11 21.531 -15.513 35.523 1.00 1.00 H new ATOM 0 HE2 TYR A 11 19.650 -18.397 32.955 1.00 1.00 H new ATOM 0 HH TYR A 11 19.068 -16.242 33.008 1.00 1.00 H new ATOM 164 N GLY A 12 24.052 -19.643 32.813 1.00 1.00 N ATOM 165 CA GLY A 12 23.956 -19.008 31.503 1.00 1.00 C ATOM 166 C GLY A 12 23.842 -20.053 30.398 1.00 1.00 C ATOM 167 O GLY A 12 24.802 -20.766 30.104 1.00 1.00 O ATOM 0 H GLY A 12 23.813 -20.635 32.824 1.00 1.00 H new ATOM 0 HA2 GLY A 12 23.088 -18.349 31.477 1.00 1.00 H new ATOM 0 HA3 GLY A 12 24.834 -18.386 31.331 1.00 1.00 H new ATOM 171 N ALA A 13 22.663 -20.139 29.791 1.00 1.00 N ATOM 172 CA ALA A 13 22.435 -21.102 28.721 1.00 1.00 C ATOM 173 C ALA A 13 23.254 -20.735 27.488 1.00 1.00 C ATOM 174 O ALA A 13 22.703 -20.347 26.456 1.00 1.00 O ATOM 175 CB ALA A 13 20.949 -21.136 28.356 1.00 1.00 C ATOM 0 H ALA A 13 21.856 -19.558 30.020 1.00 1.00 H new ATOM 0 HA ALA A 13 22.746 -22.086 29.071 1.00 1.00 H new ATOM 0 HB1 ALA A 13 20.787 -21.858 27.556 1.00 1.00 H new ATOM 0 HB2 ALA A 13 20.366 -21.427 29.230 1.00 1.00 H new ATOM 0 HB3 ALA A 13 20.634 -20.148 28.022 1.00 1.00 H new ATOM 181 N ASP A 14 24.573 -20.862 27.599 1.00 1.00 N ATOM 182 CA ASP A 14 25.458 -20.542 26.486 1.00 1.00 C ATOM 183 C ASP A 14 25.100 -21.374 25.259 1.00 1.00 C ATOM 184 O ASP A 14 25.716 -22.406 24.996 1.00 1.00 O ATOM 185 CB ASP A 14 26.912 -20.809 26.880 1.00 1.00 C ATOM 186 CG ASP A 14 26.970 -21.889 27.956 1.00 1.00 C ATOM 187 OD1 ASP A 14 26.241 -22.859 27.835 1.00 1.00 O ATOM 188 OD2 ASP A 14 27.746 -21.730 28.884 1.00 1.00 O ATOM 0 H ASP A 14 25.049 -21.182 28.442 1.00 1.00 H new ATOM 0 HA ASP A 14 25.336 -19.487 26.243 1.00 1.00 H new ATOM 0 HB2 ASP A 14 27.483 -21.123 26.006 1.00 1.00 H new ATOM 0 HB3 ASP A 14 27.372 -19.892 27.248 1.00 1.00 H new ATOM 193 N ASN A 15 24.099 -20.918 24.513 1.00 1.00 N ATOM 194 CA ASN A 15 23.666 -21.628 23.316 1.00 1.00 C ATOM 195 C ASN A 15 23.075 -20.656 22.300 1.00 1.00 C ATOM 196 O ASN A 15 23.650 -20.428 21.237 1.00 1.00 O ATOM 197 CB ASN A 15 22.620 -22.683 23.685 1.00 1.00 C ATOM 198 CG ASN A 15 22.164 -23.425 22.434 1.00 1.00 C ATOM 199 OD1 ASN A 15 21.761 -22.801 21.453 1.00 1.00 O ATOM 200 ND2 ASN A 15 22.204 -24.730 22.410 1.00 1.00 N ATOM 0 H ASN A 15 23.576 -20.066 24.715 1.00 1.00 H new ATOM 0 HA ASN A 15 24.534 -22.116 22.872 1.00 1.00 H new ATOM 0 HB2 ASN A 15 23.040 -23.388 24.403 1.00 1.00 H new ATOM 0 HB3 ASN A 15 21.766 -22.207 24.167 1.00 1.00 H new ATOM 0 HD21 ASN A 15 21.901 -25.234 21.577 1.00 1.00 H new ATOM 0 HD22 ASN A 15 22.538 -25.245 23.224 1.00 1.00 H new ATOM 207 N GLN A 16 21.923 -20.086 22.637 1.00 1.00 N ATOM 208 CA GLN A 16 21.262 -19.138 21.747 1.00 1.00 C ATOM 209 C GLN A 16 21.958 -17.782 21.798 1.00 1.00 C ATOM 210 O GLN A 16 21.429 -16.783 21.309 1.00 1.00 O ATOM 211 CB GLN A 16 19.795 -18.977 22.151 1.00 1.00 C ATOM 212 CG GLN A 16 19.712 -18.565 23.622 1.00 1.00 C ATOM 213 CD GLN A 16 19.022 -19.657 24.432 1.00 1.00 C ATOM 214 OE1 GLN A 16 17.843 -19.533 24.765 1.00 1.00 O ATOM 215 NE2 GLN A 16 19.690 -20.726 24.771 1.00 1.00 N ATOM 0 H GLN A 16 21.431 -20.262 23.513 1.00 1.00 H new ATOM 0 HA GLN A 16 21.317 -19.524 20.729 1.00 1.00 H new ATOM 0 HB2 GLN A 16 19.315 -18.225 21.524 1.00 1.00 H new ATOM 0 HB3 GLN A 16 19.259 -19.913 21.994 1.00 1.00 H new ATOM 0 HG2 GLN A 16 20.713 -18.387 24.015 1.00 1.00 H new ATOM 0 HG3 GLN A 16 19.162 -17.629 23.715 1.00 1.00 H new ATOM 0 HE21 GLN A 16 20.667 -20.826 24.494 1.00 1.00 H new ATOM 0 HE22 GLN A 16 19.235 -21.461 25.313 1.00 1.00 H new ATOM 224 N SER A 17 23.145 -17.754 22.394 1.00 1.00 N ATOM 225 CA SER A 17 23.905 -16.515 22.506 1.00 1.00 C ATOM 226 C SER A 17 24.747 -16.288 21.255 1.00 1.00 C ATOM 227 O SER A 17 25.976 -16.342 21.303 1.00 1.00 O ATOM 228 CB SER A 17 24.816 -16.570 23.731 1.00 1.00 C ATOM 229 OG SER A 17 25.592 -15.381 23.794 1.00 1.00 O ATOM 0 H SER A 17 23.599 -18.570 22.805 1.00 1.00 H new ATOM 0 HA SER A 17 23.202 -15.689 22.613 1.00 1.00 H new ATOM 0 HB2 SER A 17 24.220 -16.677 24.637 1.00 1.00 H new ATOM 0 HB3 SER A 17 25.469 -17.441 23.674 1.00 1.00 H new ATOM 0 HG SER A 17 26.296 -15.413 23.113 1.00 1.00 H new ATOM 235 N GLU A 18 24.077 -16.035 20.137 1.00 1.00 N ATOM 236 CA GLU A 18 24.772 -15.801 18.877 1.00 1.00 C ATOM 237 C GLU A 18 24.873 -14.306 18.590 1.00 1.00 C ATOM 238 O GLU A 18 23.888 -13.666 18.224 1.00 1.00 O ATOM 239 CB GLU A 18 24.028 -16.493 17.733 1.00 1.00 C ATOM 240 CG GLU A 18 25.030 -16.941 16.668 1.00 1.00 C ATOM 241 CD GLU A 18 24.335 -17.065 15.317 1.00 1.00 C ATOM 242 OE1 GLU A 18 24.195 -16.054 14.650 1.00 1.00 O ATOM 243 OE2 GLU A 18 23.955 -18.171 14.968 1.00 1.00 O ATOM 0 H GLU A 18 23.060 -15.987 20.077 1.00 1.00 H new ATOM 0 HA GLU A 18 25.778 -16.213 18.957 1.00 1.00 H new ATOM 0 HB2 GLU A 18 23.476 -17.353 18.112 1.00 1.00 H new ATOM 0 HB3 GLU A 18 23.297 -15.812 17.296 1.00 1.00 H new ATOM 0 HG2 GLU A 18 25.847 -16.223 16.601 1.00 1.00 H new ATOM 0 HG3 GLU A 18 25.469 -17.898 16.950 1.00 1.00 H new ATOM 250 N CYS A 19 26.071 -13.756 18.760 1.00 1.00 N ATOM 251 CA CYS A 19 26.289 -12.334 18.517 1.00 1.00 C ATOM 252 C CYS A 19 27.781 -12.021 18.471 1.00 1.00 C ATOM 253 O CYS A 19 28.616 -12.898 18.690 1.00 1.00 O ATOM 254 CB CYS A 19 25.625 -11.508 19.620 1.00 1.00 C ATOM 255 SG CYS A 19 24.486 -10.314 18.877 1.00 1.00 S ATOM 0 H CYS A 19 26.900 -14.268 19.063 1.00 1.00 H new ATOM 0 HA CYS A 19 25.846 -12.077 17.555 1.00 1.00 H new ATOM 0 HB2 CYS A 19 25.086 -12.163 20.305 1.00 1.00 H new ATOM 0 HB3 CYS A 19 26.383 -10.988 20.206 1.00 1.00 H new ATOM 0 HG CYS A 19 23.920 -9.613 19.814 1.00 1.00 H new ATOM 261 N GLU A 20 28.108 -10.765 18.185 1.00 1.00 N ATOM 262 CA GLU A 20 29.504 -10.347 18.114 1.00 1.00 C ATOM 263 C GLU A 20 30.277 -11.227 17.137 1.00 1.00 C ATOM 264 O GLU A 20 31.508 -11.239 17.139 1.00 1.00 O ATOM 265 CB GLU A 20 30.146 -10.433 19.500 1.00 1.00 C ATOM 266 CG GLU A 20 29.841 -9.156 20.285 1.00 1.00 C ATOM 267 CD GLU A 20 30.845 -8.067 19.921 1.00 1.00 C ATOM 268 OE1 GLU A 20 30.728 -7.521 18.836 1.00 1.00 O ATOM 269 OE2 GLU A 20 31.714 -7.794 20.732 1.00 1.00 O ATOM 0 H GLU A 20 27.432 -10.024 18.000 1.00 1.00 H new ATOM 0 HA GLU A 20 29.538 -9.316 17.762 1.00 1.00 H new ATOM 0 HB2 GLU A 20 29.764 -11.302 20.036 1.00 1.00 H new ATOM 0 HB3 GLU A 20 31.224 -10.566 19.405 1.00 1.00 H new ATOM 0 HG2 GLU A 20 28.829 -8.817 20.065 1.00 1.00 H new ATOM 0 HG3 GLU A 20 29.884 -9.358 21.355 1.00 1.00 H new ATOM 276 N TYR A 21 29.546 -11.960 16.303 1.00 1.00 N ATOM 277 CA TYR A 21 30.175 -12.840 15.325 1.00 1.00 C ATOM 278 C TYR A 21 30.357 -12.118 13.993 1.00 1.00 C ATOM 279 O TYR A 21 30.924 -12.668 13.050 1.00 1.00 O ATOM 280 CB TYR A 21 29.314 -14.088 15.116 1.00 1.00 C ATOM 281 CG TYR A 21 28.196 -13.771 14.153 1.00 1.00 C ATOM 282 CD1 TYR A 21 27.008 -13.199 14.623 1.00 1.00 C ATOM 283 CD2 TYR A 21 28.346 -14.051 12.790 1.00 1.00 C ATOM 284 CE1 TYR A 21 25.970 -12.904 13.730 1.00 1.00 C ATOM 285 CE2 TYR A 21 27.309 -13.757 11.896 1.00 1.00 C ATOM 286 CZ TYR A 21 26.121 -13.184 12.366 1.00 1.00 C ATOM 287 OH TYR A 21 25.098 -12.894 11.486 1.00 1.00 O ATOM 0 H TYR A 21 28.526 -11.963 16.284 1.00 1.00 H new ATOM 0 HA TYR A 21 31.154 -13.132 15.704 1.00 1.00 H new ATOM 0 HB2 TYR A 21 29.924 -14.903 14.726 1.00 1.00 H new ATOM 0 HB3 TYR A 21 28.904 -14.424 16.068 1.00 1.00 H new ATOM 0 HD1 TYR A 21 26.892 -12.985 15.675 1.00 1.00 H new ATOM 0 HD2 TYR A 21 29.262 -14.494 12.428 1.00 1.00 H new ATOM 0 HE1 TYR A 21 25.054 -12.461 14.093 1.00 1.00 H new ATOM 0 HE2 TYR A 21 27.426 -13.972 10.844 1.00 1.00 H new ATOM 0 HH TYR A 21 25.365 -13.149 10.578 1.00 1.00 H new ATOM 297 N THR A 22 29.872 -10.882 13.926 1.00 1.00 N ATOM 298 CA THR A 22 29.986 -10.093 12.704 1.00 1.00 C ATOM 299 C THR A 22 31.171 -9.136 12.794 1.00 1.00 C ATOM 300 O THR A 22 31.921 -8.971 11.830 1.00 1.00 O ATOM 301 CB THR A 22 28.701 -9.297 12.475 1.00 1.00 C ATOM 302 OG1 THR A 22 27.625 -10.195 12.241 1.00 1.00 O ATOM 303 CG2 THR A 22 28.876 -8.379 11.263 1.00 1.00 C ATOM 0 H THR A 22 29.400 -10.408 14.696 1.00 1.00 H new ATOM 0 HA THR A 22 30.145 -10.773 11.867 1.00 1.00 H new ATOM 0 HB THR A 22 28.485 -8.693 13.356 1.00 1.00 H new ATOM 0 HG1 THR A 22 27.970 -11.110 12.181 1.00 1.00 H new ATOM 0 HG21 THR A 22 27.959 -7.812 11.101 1.00 1.00 H new ATOM 0 HG22 THR A 22 29.701 -7.690 11.444 1.00 1.00 H new ATOM 0 HG23 THR A 22 29.092 -8.980 10.380 1.00 1.00 H new ATOM 311 N ASP A 23 31.332 -8.510 13.956 1.00 1.00 N ATOM 312 CA ASP A 23 32.428 -7.569 14.165 1.00 1.00 C ATOM 313 C ASP A 23 33.468 -8.160 15.111 1.00 1.00 C ATOM 314 O ASP A 23 34.184 -7.431 15.797 1.00 1.00 O ATOM 315 CB ASP A 23 31.888 -6.262 14.750 1.00 1.00 C ATOM 316 CG ASP A 23 31.221 -5.439 13.653 1.00 1.00 C ATOM 317 OD1 ASP A 23 31.836 -5.265 12.613 1.00 1.00 O ATOM 318 OD2 ASP A 23 30.104 -4.997 13.866 1.00 1.00 O ATOM 0 H ASP A 23 30.721 -8.636 14.763 1.00 1.00 H new ATOM 0 HA ASP A 23 32.900 -7.370 13.203 1.00 1.00 H new ATOM 0 HB2 ASP A 23 31.171 -6.477 15.542 1.00 1.00 H new ATOM 0 HB3 ASP A 23 32.700 -5.692 15.201 1.00 1.00 H new ATOM 323 N TRP A 24 33.545 -9.486 15.142 1.00 1.00 N ATOM 324 CA TRP A 24 34.502 -10.166 16.008 1.00 1.00 C ATOM 325 C TRP A 24 35.909 -9.605 15.801 1.00 1.00 C ATOM 326 O TRP A 24 36.230 -8.523 16.293 1.00 1.00 O ATOM 327 CB TRP A 24 34.489 -11.673 15.725 1.00 1.00 C ATOM 328 CG TRP A 24 34.243 -11.918 14.268 1.00 1.00 C ATOM 329 CD1 TRP A 24 34.576 -11.074 13.265 1.00 1.00 C ATOM 330 CD2 TRP A 24 33.615 -13.074 13.640 1.00 1.00 C ATOM 331 NE1 TRP A 24 34.194 -11.638 12.061 1.00 1.00 N ATOM 332 CE2 TRP A 24 33.596 -12.871 12.239 1.00 1.00 C ATOM 333 CE3 TRP A 24 33.066 -14.266 14.144 1.00 1.00 C ATOM 334 CZ2 TRP A 24 33.053 -13.817 11.370 1.00 1.00 C ATOM 335 CZ3 TRP A 24 32.518 -15.221 13.272 1.00 1.00 C ATOM 336 CH2 TRP A 24 32.511 -14.997 11.888 1.00 1.00 C ATOM 0 H TRP A 24 32.961 -10.108 14.582 1.00 1.00 H new ATOM 0 HA TRP A 24 34.212 -9.996 17.045 1.00 1.00 H new ATOM 0 HB2 TRP A 24 35.440 -12.115 16.021 1.00 1.00 H new ATOM 0 HB3 TRP A 24 33.714 -12.156 16.320 1.00 1.00 H new ATOM 0 HD1 TRP A 24 35.061 -10.116 13.385 1.00 1.00 H new ATOM 0 HE1 TRP A 24 34.336 -11.197 11.152 1.00 1.00 H new ATOM 0 HE3 TRP A 24 33.066 -14.449 15.208 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 33.051 -13.639 10.305 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 32.099 -16.134 13.670 1.00 1.00 H new ATOM 0 HH2 TRP A 24 32.087 -15.735 11.223 1.00 1.00 H new ATOM 347 N LYS A 25 36.743 -10.342 15.074 1.00 1.00 N ATOM 348 CA LYS A 25 38.108 -9.901 14.815 1.00 1.00 C ATOM 349 C LYS A 25 38.179 -9.113 13.511 1.00 1.00 C ATOM 350 O LYS A 25 38.670 -9.610 12.498 1.00 1.00 O ATOM 351 CB LYS A 25 39.042 -11.111 14.738 1.00 1.00 C ATOM 352 CG LYS A 25 38.519 -12.098 13.692 1.00 1.00 C ATOM 353 CD LYS A 25 39.640 -12.440 12.709 1.00 1.00 C ATOM 354 CE LYS A 25 39.106 -13.389 11.635 1.00 1.00 C ATOM 355 NZ LYS A 25 40.007 -14.571 11.525 1.00 1.00 N ATOM 0 H LYS A 25 36.500 -11.240 14.657 1.00 1.00 H new ATOM 0 HA LYS A 25 38.422 -9.253 15.633 1.00 1.00 H new ATOM 0 HB2 LYS A 25 40.050 -10.789 14.477 1.00 1.00 H new ATOM 0 HB3 LYS A 25 39.105 -11.597 15.712 1.00 1.00 H new ATOM 0 HG2 LYS A 25 38.159 -13.004 14.179 1.00 1.00 H new ATOM 0 HG3 LYS A 25 37.673 -11.665 13.159 1.00 1.00 H new ATOM 0 HD2 LYS A 25 40.023 -11.530 12.247 1.00 1.00 H new ATOM 0 HD3 LYS A 25 40.473 -12.904 13.238 1.00 1.00 H new ATOM 0 HE2 LYS A 25 38.096 -13.711 11.888 1.00 1.00 H new ATOM 0 HE3 LYS A 25 39.046 -12.874 10.676 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 39.645 -15.217 10.795 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 40.963 -14.256 11.265 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 40.043 -15.066 12.439 1.00 1.00 H new ATOM 369 N SER A 26 37.685 -7.880 13.543 1.00 1.00 N ATOM 370 CA SER A 26 37.698 -7.032 12.357 1.00 1.00 C ATOM 371 C SER A 26 38.934 -6.138 12.350 1.00 1.00 C ATOM 372 O SER A 26 39.166 -5.389 11.401 1.00 1.00 O ATOM 373 CB SER A 26 36.439 -6.166 12.321 1.00 1.00 C ATOM 374 OG SER A 26 36.804 -4.800 12.470 1.00 1.00 O ATOM 0 H SER A 26 37.274 -7.448 14.370 1.00 1.00 H new ATOM 0 HA SER A 26 37.723 -7.673 11.476 1.00 1.00 H new ATOM 0 HB2 SER A 26 35.910 -6.312 11.379 1.00 1.00 H new ATOM 0 HB3 SER A 26 35.758 -6.461 13.119 1.00 1.00 H new ATOM 0 HG SER A 26 36.623 -4.511 13.389 1.00 1.00 H new ATOM 380 N SER A 27 39.723 -6.222 13.416 1.00 1.00 N ATOM 381 CA SER A 27 40.934 -5.415 13.524 1.00 1.00 C ATOM 382 C SER A 27 40.593 -3.930 13.481 1.00 1.00 C ATOM 383 O SER A 27 41.481 -3.077 13.526 1.00 1.00 O ATOM 384 CB SER A 27 41.890 -5.756 12.381 1.00 1.00 C ATOM 385 OG SER A 27 41.552 -7.030 11.848 1.00 1.00 O ATOM 0 H SER A 27 39.548 -6.835 14.212 1.00 1.00 H new ATOM 0 HA SER A 27 41.414 -5.637 14.477 1.00 1.00 H new ATOM 0 HB2 SER A 27 41.829 -4.996 11.602 1.00 1.00 H new ATOM 0 HB3 SER A 27 42.919 -5.761 12.742 1.00 1.00 H new ATOM 0 HG SER A 27 42.163 -7.250 11.114 1.00 1.00 H new ATOM 391 N GLY A 28 39.302 -3.626 13.393 1.00 1.00 N ATOM 392 CA GLY A 28 38.857 -2.238 13.346 1.00 1.00 C ATOM 393 C GLY A 28 38.324 -1.793 14.702 1.00 1.00 C ATOM 394 O GLY A 28 37.511 -0.872 14.790 1.00 1.00 O ATOM 0 H GLY A 28 38.551 -4.316 13.353 1.00 1.00 H new ATOM 0 HA2 GLY A 28 39.686 -1.596 13.048 1.00 1.00 H new ATOM 0 HA3 GLY A 28 38.079 -2.126 12.590 1.00 1.00 H new ATOM 398 N ALA A 29 38.788 -2.452 15.759 1.00 1.00 N ATOM 399 CA ALA A 29 38.351 -2.117 17.109 1.00 1.00 C ATOM 400 C ALA A 29 39.463 -2.386 18.116 1.00 1.00 C ATOM 401 O ALA A 29 39.218 -2.458 19.320 1.00 1.00 O ATOM 402 CB ALA A 29 37.120 -2.943 17.479 1.00 1.00 C ATOM 0 H ALA A 29 39.462 -3.216 15.708 1.00 1.00 H new ATOM 0 HA ALA A 29 38.100 -1.056 17.135 1.00 1.00 H new ATOM 0 HB1 ALA A 29 36.800 -2.687 18.489 1.00 1.00 H new ATOM 0 HB2 ALA A 29 36.314 -2.729 16.777 1.00 1.00 H new ATOM 0 HB3 ALA A 29 37.367 -4.004 17.435 1.00 1.00 H new ATOM 408 N LEU A 30 40.684 -2.531 17.615 1.00 1.00 N ATOM 409 CA LEU A 30 41.826 -2.791 18.483 1.00 1.00 C ATOM 410 C LEU A 30 42.034 -1.634 19.453 1.00 1.00 C ATOM 411 O LEU A 30 42.070 -1.829 20.669 1.00 1.00 O ATOM 412 CB LEU A 30 43.087 -2.986 17.639 1.00 1.00 C ATOM 413 CG LEU A 30 42.905 -4.192 16.717 1.00 1.00 C ATOM 414 CD1 LEU A 30 43.726 -3.991 15.443 1.00 1.00 C ATOM 415 CD2 LEU A 30 43.383 -5.458 17.434 1.00 1.00 C ATOM 0 H LEU A 30 40.908 -2.474 16.622 1.00 1.00 H new ATOM 0 HA LEU A 30 41.627 -3.698 19.055 1.00 1.00 H new ATOM 0 HB2 LEU A 30 43.284 -2.091 17.049 1.00 1.00 H new ATOM 0 HB3 LEU A 30 43.951 -3.138 18.287 1.00 1.00 H new ATOM 0 HG LEU A 30 41.851 -4.294 16.458 1.00 1.00 H new ATOM 0 HD11 LEU A 30 43.596 -4.851 14.787 1.00 1.00 H new ATOM 0 HD12 LEU A 30 43.389 -3.090 14.931 1.00 1.00 H new ATOM 0 HD13 LEU A 30 44.780 -3.889 15.702 1.00 1.00 H new ATOM 0 HD21 LEU A 30 43.254 -6.319 16.778 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.437 -5.354 17.693 1.00 1.00 H new ATOM 0 HD23 LEU A 30 42.799 -5.604 18.343 1.00 1.00 H new ATOM 427 N ILE A 31 42.177 -0.429 18.910 1.00 1.00 N ATOM 428 CA ILE A 31 42.386 0.751 19.741 1.00 1.00 C ATOM 429 C ILE A 31 41.062 1.477 20.006 1.00 1.00 C ATOM 430 O ILE A 31 40.817 1.925 21.126 1.00 1.00 O ATOM 431 CB ILE A 31 43.411 1.689 19.068 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.766 1.565 19.783 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.940 3.154 19.098 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.728 2.273 21.144 1.00 1.00 C ATOM 0 H ILE A 31 42.152 -0.245 17.907 1.00 1.00 H new ATOM 0 HA ILE A 31 42.783 0.436 20.706 1.00 1.00 H new ATOM 0 HB ILE A 31 43.511 1.390 18.025 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.015 0.513 19.922 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.551 1.999 19.163 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.686 3.786 18.616 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.992 3.242 18.568 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.808 3.473 20.132 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.697 2.173 21.633 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.502 3.329 20.998 1.00 1.00 H new ATOM 0 HD13 ILE A 31 43.958 1.820 21.768 1.00 1.00 H new ATOM 446 N PRO A 32 40.208 1.605 19.017 1.00 1.00 N ATOM 447 CA PRO A 32 38.896 2.298 19.185 1.00 1.00 C ATOM 448 C PRO A 32 38.061 1.680 20.303 1.00 1.00 C ATOM 449 O PRO A 32 37.038 2.233 20.705 1.00 1.00 O ATOM 450 CB PRO A 32 38.204 2.128 17.829 1.00 1.00 C ATOM 451 CG PRO A 32 39.295 1.831 16.857 1.00 1.00 C ATOM 452 CD PRO A 32 40.389 1.114 17.641 1.00 1.00 C ATOM 0 HA PRO A 32 39.024 3.343 19.468 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.475 1.318 17.860 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.664 3.032 17.548 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.929 1.207 16.042 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.676 2.749 16.409 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.279 0.031 17.584 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.380 1.354 17.257 1.00 1.00 H new ATOM 460 N ALA A 33 38.504 0.529 20.798 1.00 1.00 N ATOM 461 CA ALA A 33 37.790 -0.157 21.868 1.00 1.00 C ATOM 462 C ALA A 33 38.100 0.484 23.217 1.00 1.00 C ATOM 463 O ALA A 33 37.253 0.519 24.109 1.00 1.00 O ATOM 464 CB ALA A 33 38.188 -1.634 21.900 1.00 1.00 C ATOM 0 H ALA A 33 39.348 0.054 20.478 1.00 1.00 H new ATOM 0 HA ALA A 33 36.720 -0.073 21.676 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.650 -2.139 22.702 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.937 -2.099 20.947 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.261 -1.718 22.074 1.00 1.00 H new ATOM 470 N ILE A 34 39.321 0.990 23.359 1.00 1.00 N ATOM 471 CA ILE A 34 39.733 1.627 24.605 1.00 1.00 C ATOM 472 C ILE A 34 39.476 3.130 24.549 1.00 1.00 C ATOM 473 O ILE A 34 39.420 3.798 25.582 1.00 1.00 O ATOM 474 CB ILE A 34 41.220 1.371 24.856 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.435 -0.115 25.156 1.00 1.00 C ATOM 476 CG2 ILE A 34 41.687 2.203 26.050 1.00 1.00 C ATOM 477 CD1 ILE A 34 42.675 -0.611 24.411 1.00 1.00 C ATOM 0 H ILE A 34 40.037 0.972 22.633 1.00 1.00 H new ATOM 0 HA ILE A 34 39.149 1.200 25.420 1.00 1.00 H new ATOM 0 HB ILE A 34 41.792 1.652 23.972 1.00 1.00 H new ATOM 0 HG12 ILE A 34 41.557 -0.267 26.228 1.00 1.00 H new ATOM 0 HG13 ILE A 34 40.560 -0.689 24.851 1.00 1.00 H new ATOM 0 HG21 ILE A 34 42.747 2.020 26.229 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.532 3.261 25.839 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.116 1.922 26.935 1.00 1.00 H new ATOM 0 HD11 ILE A 34 42.829 -1.669 24.624 1.00 1.00 H new ATOM 0 HD12 ILE A 34 42.535 -0.474 23.339 1.00 1.00 H new ATOM 0 HD13 ILE A 34 43.547 -0.045 24.738 1.00 1.00 H new ATOM 489 N TYR A 35 39.322 3.655 23.338 1.00 1.00 N ATOM 490 CA TYR A 35 39.071 5.082 23.162 1.00 1.00 C ATOM 491 C TYR A 35 37.658 5.437 23.611 1.00 1.00 C ATOM 492 O TYR A 35 37.428 6.501 24.185 1.00 1.00 O ATOM 493 CB TYR A 35 39.255 5.467 21.692 1.00 1.00 C ATOM 494 CG TYR A 35 39.849 6.853 21.608 1.00 1.00 C ATOM 495 CD1 TYR A 35 39.070 7.969 21.934 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.179 7.021 21.203 1.00 1.00 C ATOM 497 CE1 TYR A 35 39.621 9.254 21.857 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.729 8.306 21.125 1.00 1.00 C ATOM 499 CZ TYR A 35 40.951 9.423 21.452 1.00 1.00 C ATOM 500 OH TYR A 35 41.494 10.689 21.376 1.00 1.00 O ATOM 0 H TYR A 35 39.366 3.120 22.471 1.00 1.00 H new ATOM 0 HA TYR A 35 39.783 5.636 23.774 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.907 4.749 21.195 1.00 1.00 H new ATOM 0 HB3 TYR A 35 38.296 5.438 21.174 1.00 1.00 H new ATOM 0 HD1 TYR A 35 38.044 7.839 22.245 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.780 6.160 20.951 1.00 1.00 H new ATOM 0 HE1 TYR A 35 39.020 10.115 22.110 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.755 8.436 20.812 1.00 1.00 H new ATOM 0 HH TYR A 35 42.426 10.628 21.080 1.00 1.00 H new ATOM 510 N MET A 36 36.715 4.540 23.345 1.00 1.00 N ATOM 511 CA MET A 36 35.327 4.770 23.726 1.00 1.00 C ATOM 512 C MET A 36 35.108 4.414 25.193 1.00 1.00 C ATOM 513 O MET A 36 34.409 5.123 25.916 1.00 1.00 O ATOM 514 CB MET A 36 34.398 3.929 22.850 1.00 1.00 C ATOM 515 CG MET A 36 34.374 4.504 21.433 1.00 1.00 C ATOM 516 SD MET A 36 34.112 3.166 20.242 1.00 1.00 S ATOM 517 CE MET A 36 34.685 4.056 18.774 1.00 1.00 C ATOM 0 H MET A 36 36.885 3.653 22.871 1.00 1.00 H new ATOM 0 HA MET A 36 35.101 5.827 23.583 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.740 2.894 22.828 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.392 3.924 23.269 1.00 1.00 H new ATOM 0 HG2 MET A 36 33.580 5.245 21.343 1.00 1.00 H new ATOM 0 HG3 MET A 36 35.313 5.015 21.221 1.00 1.00 H new ATOM 0 HE1 MET A 36 34.610 3.406 17.902 1.00 1.00 H new ATOM 0 HE2 MET A 36 34.068 4.941 18.621 1.00 1.00 H new ATOM 0 HE3 MET A 36 35.723 4.357 18.913 1.00 1.00 H new ATOM 527 N LEU A 37 35.713 3.312 25.624 1.00 1.00 N ATOM 528 CA LEU A 37 35.579 2.872 27.008 1.00 1.00 C ATOM 529 C LEU A 37 35.903 4.018 27.962 1.00 1.00 C ATOM 530 O LEU A 37 35.329 4.118 29.045 1.00 1.00 O ATOM 531 CB LEU A 37 36.523 1.694 27.274 1.00 1.00 C ATOM 532 CG LEU A 37 36.286 1.131 28.682 1.00 1.00 C ATOM 533 CD1 LEU A 37 34.871 0.554 28.790 1.00 1.00 C ATOM 534 CD2 LEU A 37 37.305 0.024 28.961 1.00 1.00 C ATOM 0 H LEU A 37 36.296 2.712 25.041 1.00 1.00 H new ATOM 0 HA LEU A 37 34.550 2.554 27.176 1.00 1.00 H new ATOM 0 HB2 LEU A 37 36.361 0.914 26.531 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.559 2.019 27.174 1.00 1.00 H new ATOM 0 HG LEU A 37 36.399 1.934 29.410 1.00 1.00 H new ATOM 0 HD11 LEU A 37 34.715 0.158 29.793 1.00 1.00 H new ATOM 0 HD12 LEU A 37 34.142 1.340 28.593 1.00 1.00 H new ATOM 0 HD13 LEU A 37 34.748 -0.247 28.061 1.00 1.00 H new ATOM 0 HD21 LEU A 37 37.140 -0.379 29.960 1.00 1.00 H new ATOM 0 HD22 LEU A 37 37.188 -0.772 28.225 1.00 1.00 H new ATOM 0 HD23 LEU A 37 38.313 0.433 28.896 1.00 1.00 H new ATOM 546 N VAL A 38 36.827 4.880 27.549 1.00 1.00 N ATOM 547 CA VAL A 38 37.221 6.017 28.374 1.00 1.00 C ATOM 548 C VAL A 38 36.274 7.192 28.153 1.00 1.00 C ATOM 549 O VAL A 38 36.173 8.086 28.993 1.00 1.00 O ATOM 550 CB VAL A 38 38.650 6.439 28.028 1.00 1.00 C ATOM 551 CG1 VAL A 38 39.049 7.642 28.886 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.605 5.277 28.309 1.00 1.00 C ATOM 0 H VAL A 38 37.314 4.814 26.655 1.00 1.00 H new ATOM 0 HA VAL A 38 37.173 5.719 29.421 1.00 1.00 H new ATOM 0 HB VAL A 38 38.704 6.710 26.974 1.00 1.00 H new ATOM 0 HG11 VAL A 38 40.067 7.943 28.640 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.368 8.470 28.690 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.996 7.371 29.940 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.624 5.576 28.063 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.550 5.008 29.364 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.322 4.418 27.701 1.00 1.00 H new ATOM 562 N PHE A 39 35.583 7.184 27.017 1.00 1.00 N ATOM 563 CA PHE A 39 34.646 8.255 26.697 1.00 1.00 C ATOM 564 C PHE A 39 33.345 8.080 27.472 1.00 1.00 C ATOM 565 O PHE A 39 32.979 8.925 28.289 1.00 1.00 O ATOM 566 CB PHE A 39 34.352 8.259 25.195 1.00 1.00 C ATOM 567 CG PHE A 39 33.418 9.400 24.868 1.00 1.00 C ATOM 568 CD1 PHE A 39 33.857 10.722 25.007 1.00 1.00 C ATOM 569 CD2 PHE A 39 32.116 9.137 24.427 1.00 1.00 C ATOM 570 CE1 PHE A 39 32.993 11.782 24.704 1.00 1.00 C ATOM 571 CE2 PHE A 39 31.252 10.197 24.124 1.00 1.00 C ATOM 572 CZ PHE A 39 31.690 11.519 24.263 1.00 1.00 C ATOM 0 H PHE A 39 35.653 6.454 26.308 1.00 1.00 H new ATOM 0 HA PHE A 39 35.098 9.205 26.982 1.00 1.00 H new ATOM 0 HB2 PHE A 39 35.280 8.362 24.632 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.903 7.311 24.899 1.00 1.00 H new ATOM 0 HD1 PHE A 39 34.862 10.925 25.348 1.00 1.00 H new ATOM 0 HD2 PHE A 39 31.778 8.117 24.320 1.00 1.00 H new ATOM 0 HE1 PHE A 39 33.332 12.802 24.810 1.00 1.00 H new ATOM 0 HE2 PHE A 39 30.248 9.994 23.783 1.00 1.00 H new ATOM 0 HZ PHE A 39 31.023 12.336 24.030 1.00 1.00 H new ATOM 582 N LEU A 40 32.650 6.978 27.210 1.00 1.00 N ATOM 583 CA LEU A 40 31.389 6.702 27.889 1.00 1.00 C ATOM 584 C LEU A 40 31.607 6.568 29.393 1.00 1.00 C ATOM 585 O LEU A 40 30.663 6.332 30.148 1.00 1.00 O ATOM 586 CB LEU A 40 30.772 5.412 27.344 1.00 1.00 C ATOM 587 CG LEU A 40 31.742 4.249 27.557 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.265 3.394 28.732 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.792 3.390 26.291 1.00 1.00 C ATOM 0 H LEU A 40 32.936 6.266 26.538 1.00 1.00 H new ATOM 0 HA LEU A 40 30.710 7.535 27.705 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.827 5.208 27.848 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.550 5.523 26.283 1.00 1.00 H new ATOM 0 HG LEU A 40 32.736 4.641 27.773 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.957 2.565 28.883 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.227 4.004 29.634 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.271 3.002 28.517 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.483 2.561 26.441 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.797 2.999 26.077 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.131 3.998 25.452 1.00 1.00 H new ATOM 601 N LEU A 41 32.856 6.721 29.822 1.00 1.00 N ATOM 602 CA LEU A 41 33.184 6.616 31.240 1.00 1.00 C ATOM 603 C LEU A 41 32.988 7.958 31.935 1.00 1.00 C ATOM 604 O LEU A 41 32.876 8.022 33.160 1.00 1.00 O ATOM 605 CB LEU A 41 34.635 6.159 31.407 1.00 1.00 C ATOM 606 CG LEU A 41 34.667 4.788 32.083 1.00 1.00 C ATOM 607 CD1 LEU A 41 36.105 4.268 32.117 1.00 1.00 C ATOM 608 CD2 LEU A 41 34.138 4.912 33.514 1.00 1.00 C ATOM 0 H LEU A 41 33.652 6.916 29.214 1.00 1.00 H new ATOM 0 HA LEU A 41 32.518 5.883 31.695 1.00 1.00 H new ATOM 0 HB2 LEU A 41 35.125 6.108 30.435 1.00 1.00 H new ATOM 0 HB3 LEU A 41 35.188 6.883 32.005 1.00 1.00 H new ATOM 0 HG LEU A 41 34.042 4.093 31.522 1.00 1.00 H new ATOM 0 HD11 LEU A 41 36.127 3.291 32.599 1.00 1.00 H new ATOM 0 HD12 LEU A 41 36.484 4.179 31.099 1.00 1.00 H new ATOM 0 HD13 LEU A 41 36.730 4.963 32.677 1.00 1.00 H new ATOM 0 HD21 LEU A 41 34.161 3.935 33.996 1.00 1.00 H new ATOM 0 HD22 LEU A 41 34.763 5.608 34.074 1.00 1.00 H new ATOM 0 HD23 LEU A 41 33.113 5.282 33.492 1.00 1.00 H new ATOM 620 N GLY A 42 32.948 9.028 31.147 1.00 1.00 N ATOM 621 CA GLY A 42 32.766 10.367 31.697 1.00 1.00 C ATOM 622 C GLY A 42 31.742 11.154 30.887 1.00 1.00 C ATOM 623 O GLY A 42 31.618 12.370 31.039 1.00 1.00 O ATOM 0 H GLY A 42 33.039 8.995 30.132 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.439 10.297 32.734 1.00 1.00 H new ATOM 0 HA3 GLY A 42 33.719 10.896 31.698 1.00 1.00 H new ATOM 627 N THR A 43 31.011 10.453 30.026 1.00 1.00 N ATOM 628 CA THR A 43 29.998 11.096 29.196 1.00 1.00 C ATOM 629 C THR A 43 28.722 10.261 29.167 1.00 1.00 C ATOM 630 O THR A 43 28.317 9.697 30.182 1.00 1.00 O ATOM 631 CB THR A 43 30.527 11.275 27.771 1.00 1.00 C ATOM 632 OG1 THR A 43 30.688 10.000 27.165 1.00 1.00 O ATOM 633 CG2 THR A 43 31.874 11.997 27.811 1.00 1.00 C ATOM 0 H THR A 43 31.100 9.447 29.885 1.00 1.00 H new ATOM 0 HA THR A 43 29.770 12.073 29.623 1.00 1.00 H new ATOM 0 HB THR A 43 29.819 11.867 27.191 1.00 1.00 H new ATOM 0 HG1 THR A 43 31.025 10.112 26.252 1.00 1.00 H new ATOM 0 HG21 THR A 43 32.249 12.124 26.795 1.00 1.00 H new ATOM 0 HG22 THR A 43 31.749 12.975 28.276 1.00 1.00 H new ATOM 0 HG23 THR A 43 32.585 11.408 28.390 1.00 1.00 H new ATOM 641 N THR A 44 28.098 10.186 27.995 1.00 1.00 N ATOM 642 CA THR A 44 26.867 9.419 27.834 1.00 1.00 C ATOM 643 C THR A 44 25.837 9.823 28.885 1.00 1.00 C ATOM 644 O THR A 44 24.958 10.642 28.621 1.00 1.00 O ATOM 645 CB THR A 44 27.160 7.920 27.953 1.00 1.00 C ATOM 646 OG1 THR A 44 28.202 7.712 28.896 1.00 1.00 O ATOM 647 CG2 THR A 44 27.587 7.373 26.590 1.00 1.00 C ATOM 0 H THR A 44 28.424 10.646 27.145 1.00 1.00 H new ATOM 0 HA THR A 44 26.461 9.631 26.845 1.00 1.00 H new ATOM 0 HB THR A 44 26.261 7.401 28.287 1.00 1.00 H new ATOM 0 HG1 THR A 44 27.987 8.181 29.729 1.00 1.00 H new ATOM 0 HG21 THR A 44 27.795 6.306 26.675 1.00 1.00 H new ATOM 0 HG22 THR A 44 26.786 7.530 25.868 1.00 1.00 H new ATOM 0 HG23 THR A 44 28.485 7.892 26.254 1.00 1.00 H new ATOM 655 N GLY A 45 25.957 9.242 30.074 1.00 1.00 N ATOM 656 CA GLY A 45 25.035 9.543 31.164 1.00 1.00 C ATOM 657 C GLY A 45 25.795 9.903 32.435 1.00 1.00 C ATOM 658 O GLY A 45 25.566 10.958 33.029 1.00 1.00 O ATOM 0 H GLY A 45 26.681 8.562 30.307 1.00 1.00 H new ATOM 0 HA2 GLY A 45 24.385 10.370 30.878 1.00 1.00 H new ATOM 0 HA3 GLY A 45 24.393 8.682 31.351 1.00 1.00 H new ATOM 662 N ASN A 46 26.700 9.021 32.848 1.00 1.00 N ATOM 663 CA ASN A 46 27.490 9.255 34.052 1.00 1.00 C ATOM 664 C ASN A 46 26.620 9.848 35.155 1.00 1.00 C ATOM 665 O ASN A 46 27.104 10.589 36.011 1.00 1.00 O ATOM 666 CB ASN A 46 28.646 10.208 33.742 1.00 1.00 C ATOM 667 CG ASN A 46 28.102 11.566 33.313 1.00 1.00 C ATOM 668 OD1 ASN A 46 27.822 12.418 34.156 1.00 1.00 O ATOM 669 ND2 ASN A 46 27.936 11.821 32.044 1.00 1.00 N ATOM 0 H ASN A 46 26.904 8.143 32.370 1.00 1.00 H new ATOM 0 HA ASN A 46 27.890 8.300 34.394 1.00 1.00 H new ATOM 0 HB2 ASN A 46 29.280 10.322 34.621 1.00 1.00 H new ATOM 0 HB3 ASN A 46 29.270 9.791 32.952 1.00 1.00 H new ATOM 0 HD21 ASN A 46 27.574 12.728 31.749 1.00 1.00 H new ATOM 0 HD22 ASN A 46 28.169 11.114 31.347 1.00 1.00 H new ATOM 676 N GLY A 47 25.333 9.516 35.128 1.00 1.00 N ATOM 677 CA GLY A 47 24.402 10.021 36.131 1.00 1.00 C ATOM 678 C GLY A 47 23.344 8.976 36.465 1.00 1.00 C ATOM 679 O GLY A 47 22.204 9.065 36.008 1.00 1.00 O ATOM 0 H GLY A 47 24.913 8.904 34.428 1.00 1.00 H new ATOM 0 HA2 GLY A 47 24.947 10.294 37.034 1.00 1.00 H new ATOM 0 HA3 GLY A 47 23.921 10.927 35.763 1.00 1.00 H new ATOM 683 N LEU A 48 23.727 7.988 37.267 1.00 1.00 N ATOM 684 CA LEU A 48 22.803 6.933 37.658 1.00 1.00 C ATOM 685 C LEU A 48 22.225 6.236 36.428 1.00 1.00 C ATOM 686 O LEU A 48 21.362 5.367 36.545 1.00 1.00 O ATOM 687 CB LEU A 48 21.670 7.524 38.495 1.00 1.00 C ATOM 688 CG LEU A 48 21.089 6.442 39.406 1.00 1.00 C ATOM 689 CD1 LEU A 48 21.850 6.430 40.734 1.00 1.00 C ATOM 690 CD2 LEU A 48 19.611 6.738 39.670 1.00 1.00 C ATOM 0 H LEU A 48 24.665 7.897 37.656 1.00 1.00 H new ATOM 0 HA LEU A 48 23.348 6.197 38.249 1.00 1.00 H new ATOM 0 HB2 LEU A 48 22.042 8.356 39.093 1.00 1.00 H new ATOM 0 HB3 LEU A 48 20.892 7.922 37.843 1.00 1.00 H new ATOM 0 HG LEU A 48 21.186 5.470 38.922 1.00 1.00 H new ATOM 0 HD11 LEU A 48 21.436 5.659 41.384 1.00 1.00 H new ATOM 0 HD12 LEU A 48 22.903 6.221 40.548 1.00 1.00 H new ATOM 0 HD13 LEU A 48 21.753 7.402 41.218 1.00 1.00 H new ATOM 0 HD21 LEU A 48 19.196 5.967 40.319 1.00 1.00 H new ATOM 0 HD22 LEU A 48 19.515 7.710 40.154 1.00 1.00 H new ATOM 0 HD23 LEU A 48 19.067 6.748 38.725 1.00 1.00 H new ATOM 702 N VAL A 49 22.711 6.621 35.251 1.00 1.00 N ATOM 703 CA VAL A 49 22.235 6.020 34.010 1.00 1.00 C ATOM 704 C VAL A 49 22.933 4.687 33.762 1.00 1.00 C ATOM 705 O VAL A 49 22.285 3.649 33.639 1.00 1.00 O ATOM 706 CB VAL A 49 22.502 6.962 32.833 1.00 1.00 C ATOM 707 CG1 VAL A 49 21.538 6.639 31.691 1.00 1.00 C ATOM 708 CG2 VAL A 49 22.291 8.410 33.282 1.00 1.00 C ATOM 0 H VAL A 49 23.426 7.338 35.131 1.00 1.00 H new ATOM 0 HA VAL A 49 21.162 5.849 34.100 1.00 1.00 H new ATOM 0 HB VAL A 49 23.528 6.832 32.490 1.00 1.00 H new ATOM 0 HG11 VAL A 49 21.728 7.310 30.853 1.00 1.00 H new ATOM 0 HG12 VAL A 49 21.686 5.608 31.371 1.00 1.00 H new ATOM 0 HG13 VAL A 49 20.511 6.769 32.034 1.00 1.00 H new ATOM 0 HG21 VAL A 49 22.481 9.082 32.445 1.00 1.00 H new ATOM 0 HG22 VAL A 49 21.264 8.539 33.625 1.00 1.00 H new ATOM 0 HG23 VAL A 49 22.977 8.642 34.096 1.00 1.00 H new ATOM 718 N LEU A 50 24.259 4.726 33.690 1.00 1.00 N ATOM 719 CA LEU A 50 25.040 3.516 33.456 1.00 1.00 C ATOM 720 C LEU A 50 24.784 2.485 34.551 1.00 1.00 C ATOM 721 O LEU A 50 25.329 1.383 34.519 1.00 1.00 O ATOM 722 CB LEU A 50 26.537 3.849 33.392 1.00 1.00 C ATOM 723 CG LEU A 50 26.948 4.726 34.588 1.00 1.00 C ATOM 724 CD1 LEU A 50 26.878 3.927 35.895 1.00 1.00 C ATOM 725 CD2 LEU A 50 28.381 5.218 34.378 1.00 1.00 C ATOM 0 H LEU A 50 24.813 5.577 33.790 1.00 1.00 H new ATOM 0 HA LEU A 50 24.729 3.093 32.501 1.00 1.00 H new ATOM 0 HB2 LEU A 50 27.120 2.928 33.392 1.00 1.00 H new ATOM 0 HB3 LEU A 50 26.760 4.368 32.460 1.00 1.00 H new ATOM 0 HG LEU A 50 26.263 5.571 34.656 1.00 1.00 H new ATOM 0 HD11 LEU A 50 27.172 4.565 36.728 1.00 1.00 H new ATOM 0 HD12 LEU A 50 25.859 3.574 36.051 1.00 1.00 H new ATOM 0 HD13 LEU A 50 27.553 3.073 35.836 1.00 1.00 H new ATOM 0 HD21 LEU A 50 28.679 5.840 35.222 1.00 1.00 H new ATOM 0 HD22 LEU A 50 29.052 4.362 34.303 1.00 1.00 H new ATOM 0 HD23 LEU A 50 28.434 5.802 33.459 1.00 1.00 H new ATOM 737 N TRP A 51 23.953 2.853 35.522 1.00 1.00 N ATOM 738 CA TRP A 51 23.635 1.953 36.624 1.00 1.00 C ATOM 739 C TRP A 51 22.521 0.989 36.229 1.00 1.00 C ATOM 740 O TRP A 51 22.504 -0.164 36.658 1.00 1.00 O ATOM 741 CB TRP A 51 23.204 2.764 37.849 1.00 1.00 C ATOM 742 CG TRP A 51 22.127 2.032 38.584 1.00 1.00 C ATOM 743 CD1 TRP A 51 20.811 2.069 38.274 1.00 1.00 C ATOM 744 CD2 TRP A 51 22.250 1.160 39.745 1.00 1.00 C ATOM 745 NE1 TRP A 51 20.118 1.275 39.171 1.00 1.00 N ATOM 746 CE2 TRP A 51 20.961 0.693 40.096 1.00 1.00 C ATOM 747 CE3 TRP A 51 23.344 0.732 40.519 1.00 1.00 C ATOM 748 CZ2 TRP A 51 20.764 -0.167 41.177 1.00 1.00 C ATOM 749 CZ3 TRP A 51 23.150 -0.134 41.608 1.00 1.00 C ATOM 750 CH2 TRP A 51 21.862 -0.582 41.935 1.00 1.00 C ATOM 0 H TRP A 51 23.491 3.761 35.568 1.00 1.00 H new ATOM 0 HA TRP A 51 24.527 1.374 36.865 1.00 1.00 H new ATOM 0 HB2 TRP A 51 24.058 2.930 38.506 1.00 1.00 H new ATOM 0 HB3 TRP A 51 22.844 3.745 37.539 1.00 1.00 H new ATOM 0 HD1 TRP A 51 20.373 2.627 37.460 1.00 1.00 H new ATOM 0 HE1 TRP A 51 19.108 1.137 39.151 1.00 1.00 H new ATOM 0 HE3 TRP A 51 24.340 1.071 40.274 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 19.770 -0.509 41.426 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 23.997 -0.456 42.196 1.00 1.00 H new ATOM 0 HH2 TRP A 51 21.719 -1.248 42.773 1.00 1.00 H new ATOM 761 N THR A 52 21.594 1.469 35.407 1.00 1.00 N ATOM 762 CA THR A 52 20.483 0.639 34.958 1.00 1.00 C ATOM 763 C THR A 52 20.947 -0.345 33.889 1.00 1.00 C ATOM 764 O THR A 52 20.368 -1.419 33.725 1.00 1.00 O ATOM 765 CB THR A 52 19.366 1.521 34.394 1.00 1.00 C ATOM 766 OG1 THR A 52 18.133 0.818 34.457 1.00 1.00 O ATOM 767 CG2 THR A 52 19.680 1.875 32.940 1.00 1.00 C ATOM 0 H THR A 52 21.589 2.421 35.041 1.00 1.00 H new ATOM 0 HA THR A 52 20.105 0.077 35.812 1.00 1.00 H new ATOM 0 HB THR A 52 19.293 2.437 34.981 1.00 1.00 H new ATOM 0 HG1 THR A 52 17.416 1.382 34.098 1.00 1.00 H new ATOM 0 HG21 THR A 52 18.885 2.503 32.538 1.00 1.00 H new ATOM 0 HG22 THR A 52 20.626 2.414 32.893 1.00 1.00 H new ATOM 0 HG23 THR A 52 19.753 0.961 32.351 1.00 1.00 H new ATOM 775 N VAL A 53 21.996 0.029 33.164 1.00 1.00 N ATOM 776 CA VAL A 53 22.532 -0.827 32.112 1.00 1.00 C ATOM 777 C VAL A 53 23.237 -2.038 32.713 1.00 1.00 C ATOM 778 O VAL A 53 22.717 -3.153 32.673 1.00 1.00 O ATOM 779 CB VAL A 53 23.515 -0.038 31.248 1.00 1.00 C ATOM 780 CG1 VAL A 53 24.207 -0.984 30.265 1.00 1.00 C ATOM 781 CG2 VAL A 53 22.756 1.039 30.469 1.00 1.00 C ATOM 0 H VAL A 53 22.489 0.914 33.284 1.00 1.00 H new ATOM 0 HA VAL A 53 21.704 -1.174 31.494 1.00 1.00 H new ATOM 0 HB VAL A 53 24.263 0.432 31.887 1.00 1.00 H new ATOM 0 HG11 VAL A 53 24.908 -0.420 29.649 1.00 1.00 H new ATOM 0 HG12 VAL A 53 24.747 -1.752 30.818 1.00 1.00 H new ATOM 0 HG13 VAL A 53 23.460 -1.455 29.626 1.00 1.00 H new ATOM 0 HG21 VAL A 53 23.456 1.603 29.852 1.00 1.00 H new ATOM 0 HG22 VAL A 53 22.008 0.568 29.831 1.00 1.00 H new ATOM 0 HG23 VAL A 53 22.263 1.714 31.168 1.00 1.00 H new ATOM 791 N PHE A 54 24.424 -1.811 33.267 1.00 1.00 N ATOM 792 CA PHE A 54 25.197 -2.891 33.872 1.00 1.00 C ATOM 793 C PHE A 54 24.285 -3.837 34.649 1.00 1.00 C ATOM 794 O PHE A 54 24.626 -4.998 34.872 1.00 1.00 O ATOM 795 CB PHE A 54 26.255 -2.311 34.813 1.00 1.00 C ATOM 796 CG PHE A 54 26.230 -3.060 36.124 1.00 1.00 C ATOM 797 CD1 PHE A 54 26.878 -4.297 36.236 1.00 1.00 C ATOM 798 CD2 PHE A 54 25.560 -2.519 37.227 1.00 1.00 C ATOM 799 CE1 PHE A 54 26.856 -4.991 37.451 1.00 1.00 C ATOM 800 CE2 PHE A 54 25.537 -3.212 38.442 1.00 1.00 C ATOM 801 CZ PHE A 54 26.185 -4.449 38.554 1.00 1.00 C ATOM 0 H PHE A 54 24.870 -0.895 33.310 1.00 1.00 H new ATOM 0 HA PHE A 54 25.686 -3.452 33.075 1.00 1.00 H new ATOM 0 HB2 PHE A 54 27.242 -2.387 34.358 1.00 1.00 H new ATOM 0 HB3 PHE A 54 26.063 -1.252 34.984 1.00 1.00 H new ATOM 0 HD1 PHE A 54 27.395 -4.715 35.385 1.00 1.00 H new ATOM 0 HD2 PHE A 54 25.060 -1.566 37.140 1.00 1.00 H new ATOM 0 HE1 PHE A 54 27.356 -5.944 37.538 1.00 1.00 H new ATOM 0 HE2 PHE A 54 25.020 -2.794 39.293 1.00 1.00 H new ATOM 0 HZ PHE A 54 26.167 -4.985 39.492 1.00 1.00 H new ATOM 811 N ARG A 55 23.123 -3.333 35.054 1.00 1.00 N ATOM 812 CA ARG A 55 22.170 -4.144 35.801 1.00 1.00 C ATOM 813 C ARG A 55 21.374 -5.037 34.853 1.00 1.00 C ATOM 814 O ARG A 55 21.497 -6.261 34.888 1.00 1.00 O ATOM 815 CB ARG A 55 21.213 -3.240 36.582 1.00 1.00 C ATOM 816 CG ARG A 55 20.348 -4.092 37.515 1.00 1.00 C ATOM 817 CD ARG A 55 20.709 -3.789 38.970 1.00 1.00 C ATOM 818 NE ARG A 55 22.098 -4.152 39.230 1.00 1.00 N ATOM 819 CZ ARG A 55 22.610 -4.076 40.454 1.00 1.00 C ATOM 820 NH1 ARG A 55 21.867 -3.673 41.448 1.00 1.00 N ATOM 821 NH2 ARG A 55 23.855 -4.405 40.662 1.00 1.00 N ATOM 0 H ARG A 55 22.821 -2.375 34.879 1.00 1.00 H new ATOM 0 HA ARG A 55 22.722 -4.773 36.499 1.00 1.00 H new ATOM 0 HB2 ARG A 55 21.778 -2.509 37.160 1.00 1.00 H new ATOM 0 HB3 ARG A 55 20.580 -2.681 35.892 1.00 1.00 H new ATOM 0 HG2 ARG A 55 19.293 -3.883 37.341 1.00 1.00 H new ATOM 0 HG3 ARG A 55 20.502 -5.150 37.304 1.00 1.00 H new ATOM 0 HD2 ARG A 55 20.557 -2.730 39.177 1.00 1.00 H new ATOM 0 HD3 ARG A 55 20.050 -4.342 39.639 1.00 1.00 H new ATOM 0 HE ARG A 55 22.686 -4.469 38.459 1.00 1.00 H new ATOM 0 HH11 ARG A 55 20.893 -3.416 41.286 1.00 1.00 H new ATOM 0 HH12 ARG A 55 22.260 -3.615 42.387 1.00 1.00 H new ATOM 0 HH21 ARG A 55 24.436 -4.721 39.885 1.00 1.00 H new ATOM 0 HH22 ARG A 55 24.248 -4.347 41.602 1.00 1.00 H new ATOM 835 N LYS A 56 20.559 -4.415 34.007 1.00 1.00 N ATOM 836 CA LYS A 56 19.749 -5.166 33.055 1.00 1.00 C ATOM 837 C LYS A 56 20.589 -6.243 32.375 1.00 1.00 C ATOM 838 O LYS A 56 20.195 -7.408 32.317 1.00 1.00 O ATOM 839 CB LYS A 56 19.176 -4.222 31.996 1.00 1.00 C ATOM 840 CG LYS A 56 18.350 -3.127 32.676 1.00 1.00 C ATOM 841 CD LYS A 56 16.865 -3.353 32.387 1.00 1.00 C ATOM 842 CE LYS A 56 16.038 -2.283 33.101 1.00 1.00 C ATOM 843 NZ LYS A 56 14.777 -2.043 32.344 1.00 1.00 N ATOM 0 H LYS A 56 20.442 -3.403 33.961 1.00 1.00 H new ATOM 0 HA LYS A 56 18.932 -5.642 33.597 1.00 1.00 H new ATOM 0 HB2 LYS A 56 19.984 -3.775 31.417 1.00 1.00 H new ATOM 0 HB3 LYS A 56 18.553 -4.779 31.296 1.00 1.00 H new ATOM 0 HG2 LYS A 56 18.528 -3.138 33.751 1.00 1.00 H new ATOM 0 HG3 LYS A 56 18.657 -2.146 32.312 1.00 1.00 H new ATOM 0 HD2 LYS A 56 16.682 -3.313 31.313 1.00 1.00 H new ATOM 0 HD3 LYS A 56 16.565 -4.345 32.724 1.00 1.00 H new ATOM 0 HE2 LYS A 56 15.809 -2.603 34.118 1.00 1.00 H new ATOM 0 HE3 LYS A 56 16.610 -1.358 33.179 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 14.214 -1.315 32.829 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 15.006 -1.720 31.382 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 14.230 -2.926 32.292 1.00 1.00 H new ATOM 857 N LYS A 57 21.749 -5.844 31.866 1.00 1.00 N ATOM 858 CA LYS A 57 22.640 -6.781 31.193 1.00 1.00 C ATOM 859 C LYS A 57 23.455 -7.568 32.215 1.00 1.00 C ATOM 860 O LYS A 57 24.674 -7.686 32.094 1.00 1.00 O ATOM 861 CB LYS A 57 23.585 -6.022 30.258 1.00 1.00 C ATOM 862 CG LYS A 57 22.874 -4.780 29.715 1.00 1.00 C ATOM 863 CD LYS A 57 23.674 -4.194 28.550 1.00 1.00 C ATOM 864 CE LYS A 57 25.129 -3.990 28.978 1.00 1.00 C ATOM 865 NZ LYS A 57 25.777 -2.997 28.074 1.00 1.00 N ATOM 0 H LYS A 57 22.093 -4.884 31.906 1.00 1.00 H new ATOM 0 HA LYS A 57 22.036 -7.477 30.611 1.00 1.00 H new ATOM 0 HB2 LYS A 57 24.489 -5.732 30.794 1.00 1.00 H new ATOM 0 HB3 LYS A 57 23.895 -6.666 29.435 1.00 1.00 H new ATOM 0 HG2 LYS A 57 21.869 -5.041 29.383 1.00 1.00 H new ATOM 0 HG3 LYS A 57 22.766 -4.037 30.505 1.00 1.00 H new ATOM 0 HD2 LYS A 57 23.627 -4.863 27.691 1.00 1.00 H new ATOM 0 HD3 LYS A 57 23.239 -3.244 28.238 1.00 1.00 H new ATOM 0 HE2 LYS A 57 25.170 -3.640 30.010 1.00 1.00 H new ATOM 0 HE3 LYS A 57 25.667 -4.937 28.941 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 26.663 -3.394 27.700 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 25.136 -2.776 27.285 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 25.985 -2.127 28.605 1.00 1.00 H new ATOM 879 N GLY A 58 22.770 -8.103 33.222 1.00 1.00 N ATOM 880 CA GLY A 58 23.437 -8.876 34.263 1.00 1.00 C ATOM 881 C GLY A 58 24.522 -9.768 33.670 1.00 1.00 C ATOM 882 O GLY A 58 25.517 -10.074 34.327 1.00 1.00 O ATOM 0 H GLY A 58 21.760 -8.016 33.338 1.00 1.00 H new ATOM 0 HA2 GLY A 58 23.877 -8.201 34.997 1.00 1.00 H new ATOM 0 HA3 GLY A 58 22.706 -9.488 34.791 1.00 1.00 H new ATOM 886 N HIS A 59 24.322 -10.180 32.423 1.00 1.00 N ATOM 887 CA HIS A 59 25.291 -11.035 31.746 1.00 1.00 C ATOM 888 C HIS A 59 26.575 -10.264 31.460 1.00 1.00 C ATOM 889 O HIS A 59 27.671 -10.726 31.779 1.00 1.00 O ATOM 890 CB HIS A 59 24.701 -11.549 30.431 1.00 1.00 C ATOM 891 CG HIS A 59 23.223 -11.766 30.598 1.00 1.00 C ATOM 892 ND1 HIS A 59 22.284 -10.877 30.098 1.00 1.00 N ATOM 893 CD2 HIS A 59 22.505 -12.764 31.208 1.00 1.00 C ATOM 894 CE1 HIS A 59 21.066 -11.353 30.413 1.00 1.00 C ATOM 895 NE2 HIS A 59 21.143 -12.502 31.090 1.00 1.00 N ATOM 0 H HIS A 59 23.504 -9.938 31.864 1.00 1.00 H new ATOM 0 HA HIS A 59 25.523 -11.878 32.396 1.00 1.00 H new ATOM 0 HB2 HIS A 59 24.886 -10.832 29.632 1.00 1.00 H new ATOM 0 HB3 HIS A 59 25.186 -12.481 30.142 1.00 1.00 H new ATOM 0 HD2 HIS A 59 22.932 -13.623 31.704 1.00 1.00 H new ATOM 0 HE1 HIS A 59 20.139 -10.866 30.151 1.00 1.00 H new ATOM 0 HE2 HIS A 59 20.370 -13.066 31.444 1.00 1.00 H new ATOM 903 N HIS A 60 26.430 -9.088 30.860 1.00 1.00 N ATOM 904 CA HIS A 60 27.580 -8.255 30.536 1.00 1.00 C ATOM 905 C HIS A 60 28.637 -9.059 29.783 1.00 1.00 C ATOM 906 O HIS A 60 29.366 -9.854 30.378 1.00 1.00 O ATOM 907 CB HIS A 60 28.186 -7.684 31.818 1.00 1.00 C ATOM 908 CG HIS A 60 29.028 -6.484 31.485 1.00 1.00 C ATOM 909 ND1 HIS A 60 28.471 -5.259 31.153 1.00 1.00 N ATOM 910 CD2 HIS A 60 30.388 -6.305 31.427 1.00 1.00 C ATOM 911 CE1 HIS A 60 29.483 -4.405 30.912 1.00 1.00 C ATOM 912 NE2 HIS A 60 30.673 -4.993 31.064 1.00 1.00 N ATOM 0 H HIS A 60 25.530 -8.692 30.589 1.00 1.00 H new ATOM 0 HA HIS A 60 27.243 -7.439 29.897 1.00 1.00 H new ATOM 0 HB2 HIS A 60 27.395 -7.404 32.513 1.00 1.00 H new ATOM 0 HB3 HIS A 60 28.793 -8.441 32.314 1.00 1.00 H new ATOM 0 HD2 HIS A 60 31.125 -7.067 31.632 1.00 1.00 H new ATOM 0 HE1 HIS A 60 29.349 -3.371 30.630 1.00 1.00 H new ATOM 0 HE2 HIS A 60 31.593 -4.570 30.940 1.00 1.00 H new ATOM 920 N HIS A 61 28.712 -8.842 28.474 1.00 1.00 N ATOM 921 CA HIS A 61 29.683 -9.546 27.640 1.00 1.00 C ATOM 922 C HIS A 61 30.476 -8.555 26.795 1.00 1.00 C ATOM 923 O HIS A 61 29.981 -7.483 26.449 1.00 1.00 O ATOM 924 CB HIS A 61 28.962 -10.536 26.723 1.00 1.00 C ATOM 925 CG HIS A 61 28.490 -11.716 27.528 1.00 1.00 C ATOM 926 ND1 HIS A 61 29.339 -12.749 27.893 1.00 1.00 N ATOM 927 CD2 HIS A 61 27.260 -12.041 28.043 1.00 1.00 C ATOM 928 CE1 HIS A 61 28.615 -13.640 28.596 1.00 1.00 C ATOM 929 NE2 HIS A 61 27.340 -13.257 28.717 1.00 1.00 N ATOM 0 H HIS A 61 28.115 -8.187 27.968 1.00 1.00 H new ATOM 0 HA HIS A 61 30.370 -10.087 28.290 1.00 1.00 H new ATOM 0 HB2 HIS A 61 28.114 -10.049 26.240 1.00 1.00 H new ATOM 0 HB3 HIS A 61 29.633 -10.868 25.930 1.00 1.00 H new ATOM 0 HD1 HIS A 61 30.332 -12.821 27.670 1.00 1.00 H new ATOM 0 HD2 HIS A 61 26.366 -11.444 27.941 1.00 1.00 H new ATOM 0 HE1 HIS A 61 29.015 -14.553 29.012 1.00 1.00 H new ATOM 937 N HIS A 62 31.710 -8.921 26.465 1.00 1.00 N ATOM 938 CA HIS A 62 32.563 -8.053 25.660 1.00 1.00 C ATOM 939 C HIS A 62 31.869 -7.687 24.351 1.00 1.00 C ATOM 940 O HIS A 62 31.906 -8.445 23.381 1.00 1.00 O ATOM 941 CB HIS A 62 33.892 -8.754 25.365 1.00 1.00 C ATOM 942 CG HIS A 62 34.987 -7.729 25.258 1.00 1.00 C ATOM 943 ND1 HIS A 62 35.005 -6.768 24.258 1.00 1.00 N ATOM 944 CD2 HIS A 62 36.108 -7.501 26.017 1.00 1.00 C ATOM 945 CE1 HIS A 62 36.104 -6.014 24.441 1.00 1.00 C ATOM 946 NE2 HIS A 62 36.812 -6.418 25.499 1.00 1.00 N ATOM 0 H HIS A 62 32.139 -9.805 26.739 1.00 1.00 H new ATOM 0 HA HIS A 62 32.756 -7.139 26.221 1.00 1.00 H new ATOM 0 HB2 HIS A 62 34.123 -9.467 26.157 1.00 1.00 H new ATOM 0 HB3 HIS A 62 33.818 -9.321 24.437 1.00 1.00 H new ATOM 0 HD1 HIS A 62 34.312 -6.654 23.519 1.00 1.00 H new ATOM 0 HD2 HIS A 62 36.399 -8.075 26.884 1.00 1.00 H new ATOM 0 HE1 HIS A 62 36.380 -5.183 23.809 1.00 1.00 H new ATOM 954 N HIS A 63 31.231 -6.520 24.332 1.00 1.00 N ATOM 955 CA HIS A 63 30.529 -6.065 23.140 1.00 1.00 C ATOM 956 C HIS A 63 31.516 -5.559 22.094 1.00 1.00 C ATOM 957 O HIS A 63 32.730 -5.686 22.260 1.00 1.00 O ATOM 958 CB HIS A 63 29.551 -4.946 23.506 1.00 1.00 C ATOM 959 CG HIS A 63 30.312 -3.669 23.734 1.00 1.00 C ATOM 960 ND1 HIS A 63 31.357 -3.583 24.641 1.00 1.00 N ATOM 961 CD2 HIS A 63 30.190 -2.418 23.183 1.00 1.00 C ATOM 962 CE1 HIS A 63 31.819 -2.320 24.608 1.00 1.00 C ATOM 963 NE2 HIS A 63 31.143 -1.567 23.736 1.00 1.00 N ATOM 0 H HIS A 63 31.187 -5.878 25.123 1.00 1.00 H new ATOM 0 HA HIS A 63 29.978 -6.908 22.723 1.00 1.00 H new ATOM 0 HB2 HIS A 63 28.822 -4.810 22.707 1.00 1.00 H new ATOM 0 HB3 HIS A 63 28.994 -5.215 24.403 1.00 1.00 H new ATOM 0 HD2 HIS A 63 29.465 -2.136 22.434 1.00 1.00 H new ATOM 0 HE1 HIS A 63 32.637 -1.959 25.213 1.00 1.00 H new ATOM 0 HE2 HIS A 63 31.293 -0.581 23.522 1.00 1.00 H new ATOM 971 N HIS A 64 30.988 -4.986 21.018 1.00 1.00 N ATOM 972 CA HIS A 64 31.833 -4.463 19.950 1.00 1.00 C ATOM 973 C HIS A 64 32.887 -3.516 20.515 1.00 1.00 C ATOM 974 O HIS A 64 33.980 -3.487 19.974 1.00 1.00 O ATOM 975 CB HIS A 64 30.977 -3.721 18.922 1.00 1.00 C ATOM 976 CG HIS A 64 31.870 -3.026 17.932 1.00 1.00 C ATOM 977 ND1 HIS A 64 32.936 -3.667 17.321 1.00 1.00 N ATOM 978 CD2 HIS A 64 31.868 -1.745 17.437 1.00 1.00 C ATOM 979 CE1 HIS A 64 33.527 -2.780 16.500 1.00 1.00 C ATOM 980 NE2 HIS A 64 32.915 -1.592 16.532 1.00 1.00 N ATOM 981 OXT HIS A 64 32.586 -2.835 21.480 1.00 1.00 O ATOM 0 H HIS A 64 29.986 -4.872 20.862 1.00 1.00 H new ATOM 0 HA HIS A 64 32.335 -5.301 19.467 1.00 1.00 H new ATOM 0 HB2 HIS A 64 30.321 -4.422 18.406 1.00 1.00 H new ATOM 0 HB3 HIS A 64 30.337 -2.995 19.423 1.00 1.00 H new ATOM 0 HD2 HIS A 64 31.162 -0.974 17.708 1.00 1.00 H new ATOM 0 HE1 HIS A 64 34.390 -3.001 15.890 1.00 1.00 H new ATOM 0 HE2 HIS A 64 33.162 -0.754 16.006 1.00 1.00 H new TER 989 HIS A 64