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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -137:sc= 0.985 (180deg=-1.75) USER MOD Single : A 9 ASN :FLIP amide:sc= 0.842 F(o=-0.024,f=0.84) 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= -0.0225 X(o=-0.022,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.053) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 26:sc= 0.163 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 140:sc=-0.00133 USER MOD Single : A 27 SER OG : rot 180:sc= 0 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 43 THR OG1 : rot 67:sc= 0.969 USER MOD Single : A 44 THR OG1 : rot 14:sc= 0.713 USER MOD Single : A 46 ASN :FLIP amide:sc= -4.22! C(o=-6.1!,f=-4.2!) USER MOD Single : A 52 THR OG1 : rot 26:sc= 0.0028 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= -2.89 (180deg=-2.89) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 61 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.024) USER MOD Single : A 62 HIS : no HD1:sc= -1.13! C(o=-1.1!,f=-3.3!) USER MOD Single : A 63 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-0.65) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.274 F(o=-1,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.343 36.693 -15.645 1.00 1.00 N ATOM 2 CA MET A 1 28.950 35.289 -15.339 1.00 1.00 C ATOM 3 C MET A 1 30.204 34.433 -15.194 1.00 1.00 C ATOM 4 O MET A 1 30.223 33.466 -14.433 1.00 1.00 O ATOM 5 CB MET A 1 28.076 34.748 -16.474 1.00 1.00 C ATOM 6 CG MET A 1 27.045 35.804 -16.872 1.00 1.00 C ATOM 7 SD MET A 1 27.703 36.808 -18.228 1.00 1.00 S ATOM 8 CE MET A 1 26.193 37.744 -18.570 1.00 1.00 C ATOM 0 H1 MET A 1 28.762 37.347 -15.083 1.00 1.00 H new ATOM 0 H2 MET A 1 30.346 36.832 -15.409 1.00 1.00 H new ATOM 0 H3 MET A 1 29.196 36.882 -16.657 1.00 1.00 H new ATOM 0 HA MET A 1 28.386 35.258 -14.407 1.00 1.00 H new ATOM 0 HB2 MET A 1 28.696 34.488 -17.332 1.00 1.00 H new ATOM 0 HB3 MET A 1 27.573 33.835 -16.156 1.00 1.00 H new ATOM 0 HG2 MET A 1 26.116 35.323 -17.179 1.00 1.00 H new ATOM 0 HG3 MET A 1 26.809 36.438 -16.017 1.00 1.00 H new ATOM 0 HE1 MET A 1 26.374 38.439 -19.390 1.00 1.00 H new ATOM 0 HE2 MET A 1 25.394 37.057 -18.847 1.00 1.00 H new ATOM 0 HE3 MET A 1 25.901 38.301 -17.680 1.00 1.00 H new ATOM 20 N GLU A 2 31.250 34.796 -15.929 1.00 1.00 N ATOM 21 CA GLU A 2 32.504 34.054 -15.875 1.00 1.00 C ATOM 22 C GLU A 2 33.535 34.673 -16.813 1.00 1.00 C ATOM 23 O GLU A 2 33.263 34.886 -17.994 1.00 1.00 O ATOM 24 CB GLU A 2 32.265 32.595 -16.268 1.00 1.00 C ATOM 25 CG GLU A 2 31.228 32.531 -17.390 1.00 1.00 C ATOM 26 CD GLU A 2 31.451 31.283 -18.237 1.00 1.00 C ATOM 27 OE1 GLU A 2 32.224 31.361 -19.177 1.00 1.00 O ATOM 28 OE2 GLU A 2 30.846 30.269 -17.933 1.00 1.00 O ATOM 0 H GLU A 2 31.255 35.594 -16.565 1.00 1.00 H new ATOM 0 HA GLU A 2 32.886 34.098 -14.855 1.00 1.00 H new ATOM 0 HB2 GLU A 2 33.199 32.138 -16.595 1.00 1.00 H new ATOM 0 HB3 GLU A 2 31.918 32.027 -15.405 1.00 1.00 H new ATOM 0 HG2 GLU A 2 30.223 32.519 -16.967 1.00 1.00 H new ATOM 0 HG3 GLU A 2 31.300 33.422 -18.014 1.00 1.00 H new ATOM 35 N GLU A 3 34.717 34.960 -16.278 1.00 1.00 N ATOM 36 CA GLU A 3 35.783 35.555 -17.077 1.00 1.00 C ATOM 37 C GLU A 3 37.122 34.897 -16.760 1.00 1.00 C ATOM 38 O GLU A 3 38.098 35.576 -16.442 1.00 1.00 O ATOM 39 CB GLU A 3 35.870 37.057 -16.796 1.00 1.00 C ATOM 40 CG GLU A 3 34.740 37.781 -17.531 1.00 1.00 C ATOM 41 CD GLU A 3 35.129 38.013 -18.986 1.00 1.00 C ATOM 42 OE1 GLU A 3 35.100 37.059 -19.746 1.00 1.00 O ATOM 43 OE2 GLU A 3 35.452 39.141 -19.320 1.00 1.00 O ATOM 0 H GLU A 3 34.960 34.792 -15.302 1.00 1.00 H new ATOM 0 HA GLU A 3 35.554 35.396 -18.131 1.00 1.00 H new ATOM 0 HB2 GLU A 3 35.798 37.242 -15.724 1.00 1.00 H new ATOM 0 HB3 GLU A 3 36.836 37.443 -17.122 1.00 1.00 H new ATOM 0 HG2 GLU A 3 33.825 37.190 -17.480 1.00 1.00 H new ATOM 0 HG3 GLU A 3 34.531 38.734 -17.045 1.00 1.00 H new ATOM 50 N GLY A 4 37.160 33.572 -16.847 1.00 1.00 N ATOM 51 CA GLY A 4 38.385 32.832 -16.567 1.00 1.00 C ATOM 52 C GLY A 4 38.086 31.561 -15.780 1.00 1.00 C ATOM 53 O GLY A 4 38.408 30.457 -16.220 1.00 1.00 O ATOM 0 H GLY A 4 36.363 32.992 -17.107 1.00 1.00 H new ATOM 0 HA2 GLY A 4 38.882 32.576 -17.503 1.00 1.00 H new ATOM 0 HA3 GLY A 4 39.073 33.461 -16.002 1.00 1.00 H new ATOM 57 N GLY A 5 37.469 31.724 -14.615 1.00 1.00 N ATOM 58 CA GLY A 5 37.132 30.581 -13.774 1.00 1.00 C ATOM 59 C GLY A 5 38.275 29.573 -13.741 1.00 1.00 C ATOM 60 O GLY A 5 38.265 28.584 -14.475 1.00 1.00 O ATOM 0 H GLY A 5 37.194 32.629 -14.233 1.00 1.00 H new ATOM 0 HA2 GLY A 5 36.913 30.921 -12.762 1.00 1.00 H new ATOM 0 HA3 GLY A 5 36.229 30.101 -14.151 1.00 1.00 H new ATOM 64 N ASP A 6 39.258 29.829 -12.885 1.00 1.00 N ATOM 65 CA ASP A 6 40.406 28.936 -12.765 1.00 1.00 C ATOM 66 C ASP A 6 41.041 29.064 -11.385 1.00 1.00 C ATOM 67 O ASP A 6 42.184 29.504 -11.255 1.00 1.00 O ATOM 68 CB ASP A 6 41.442 29.269 -13.839 1.00 1.00 C ATOM 69 CG ASP A 6 42.567 28.241 -13.816 1.00 1.00 C ATOM 70 OD1 ASP A 6 42.693 27.552 -12.816 1.00 1.00 O ATOM 71 OD2 ASP A 6 43.286 28.156 -14.797 1.00 1.00 O ATOM 0 H ASP A 6 39.284 30.641 -12.268 1.00 1.00 H new ATOM 0 HA ASP A 6 40.061 27.911 -12.900 1.00 1.00 H new ATOM 0 HB2 ASP A 6 40.969 29.280 -14.821 1.00 1.00 H new ATOM 0 HB3 ASP A 6 41.847 30.267 -13.669 1.00 1.00 H new ATOM 76 N PHE A 7 40.294 28.677 -10.355 1.00 1.00 N ATOM 77 CA PHE A 7 40.797 28.753 -8.988 1.00 1.00 C ATOM 78 C PHE A 7 40.387 27.514 -8.198 1.00 1.00 C ATOM 79 O PHE A 7 39.524 27.582 -7.323 1.00 1.00 O ATOM 80 CB PHE A 7 40.249 30.004 -8.300 1.00 1.00 C ATOM 81 CG PHE A 7 41.082 30.313 -7.079 1.00 1.00 C ATOM 82 CD1 PHE A 7 42.364 30.856 -7.225 1.00 1.00 C ATOM 83 CD2 PHE A 7 40.573 30.056 -5.801 1.00 1.00 C ATOM 84 CE1 PHE A 7 43.137 31.143 -6.094 1.00 1.00 C ATOM 85 CE2 PHE A 7 41.345 30.343 -4.669 1.00 1.00 C ATOM 86 CZ PHE A 7 42.627 30.885 -4.816 1.00 1.00 C ATOM 0 H PHE A 7 39.346 28.311 -10.440 1.00 1.00 H new ATOM 0 HA PHE A 7 41.885 28.805 -9.022 1.00 1.00 H new ATOM 0 HB2 PHE A 7 40.267 30.848 -8.989 1.00 1.00 H new ATOM 0 HB3 PHE A 7 39.209 29.849 -8.014 1.00 1.00 H new ATOM 0 HD1 PHE A 7 42.757 31.054 -8.211 1.00 1.00 H new ATOM 0 HD2 PHE A 7 39.584 29.636 -5.688 1.00 1.00 H new ATOM 0 HE1 PHE A 7 44.126 31.563 -6.207 1.00 1.00 H new ATOM 0 HE2 PHE A 7 40.951 30.146 -3.683 1.00 1.00 H new ATOM 0 HZ PHE A 7 43.223 31.104 -3.943 1.00 1.00 H new ATOM 96 N ASP A 8 41.013 26.385 -8.511 1.00 1.00 N ATOM 97 CA ASP A 8 40.706 25.136 -7.824 1.00 1.00 C ATOM 98 C ASP A 8 41.955 24.270 -7.701 1.00 1.00 C ATOM 99 O ASP A 8 41.930 23.080 -8.016 1.00 1.00 O ATOM 100 CB ASP A 8 39.624 24.371 -8.588 1.00 1.00 C ATOM 101 CG ASP A 8 38.967 23.343 -7.672 1.00 1.00 C ATOM 102 OD1 ASP A 8 38.068 23.721 -6.940 1.00 1.00 O ATOM 103 OD2 ASP A 8 39.374 22.193 -7.718 1.00 1.00 O ATOM 0 H ASP A 8 41.731 26.309 -9.231 1.00 1.00 H new ATOM 0 HA ASP A 8 40.344 25.374 -6.824 1.00 1.00 H new ATOM 0 HB2 ASP A 8 38.874 25.066 -8.966 1.00 1.00 H new ATOM 0 HB3 ASP A 8 40.061 23.873 -9.453 1.00 1.00 H new ATOM 108 N ASN A 9 43.046 24.874 -7.242 1.00 1.00 N ATOM 109 CA ASN A 9 44.300 24.148 -7.083 1.00 1.00 C ATOM 110 C ASN A 9 45.068 24.663 -5.870 1.00 1.00 C ATOM 111 O ASN A 9 46.269 24.920 -5.946 1.00 1.00 O ATOM 112 CB ASN A 9 45.159 24.307 -8.338 1.00 1.00 C ATOM 113 CG ASN A 9 46.089 23.108 -8.490 1.00 1.00 C ATOM 114 OD1 ASN A 9 45.904 22.270 -9.474 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 47.009 22.930 -7.691 1.00 1.00 N flip ATOM 0 H ASN A 9 43.087 25.858 -6.975 1.00 1.00 H new ATOM 0 HA ASN A 9 44.070 23.093 -6.932 1.00 1.00 H new ATOM 0 HB2 ASN A 9 44.520 24.396 -9.217 1.00 1.00 H new ATOM 0 HB3 ASN A 9 45.743 25.225 -8.275 1.00 1.00 H new ATOM 0 HD21 ASN A 9 47.152 23.586 -6.923 1.00 1.00 H new ATOM 0 HD22 ASN A 9 47.628 22.127 -7.797 1.00 1.00 H new ATOM 122 N TYR A 10 44.366 24.812 -4.752 1.00 1.00 N ATOM 123 CA TYR A 10 44.988 25.296 -3.528 1.00 1.00 C ATOM 124 C TYR A 10 44.108 24.990 -2.321 1.00 1.00 C ATOM 125 O TYR A 10 44.343 25.498 -1.225 1.00 1.00 O ATOM 126 CB TYR A 10 45.223 26.803 -3.624 1.00 1.00 C ATOM 127 CG TYR A 10 46.627 27.066 -4.112 1.00 1.00 C ATOM 128 CD1 TYR A 10 47.708 26.948 -3.230 1.00 1.00 C ATOM 129 CD2 TYR A 10 46.849 27.430 -5.445 1.00 1.00 C ATOM 130 CE1 TYR A 10 49.011 27.192 -3.682 1.00 1.00 C ATOM 131 CE2 TYR A 10 48.151 27.674 -5.897 1.00 1.00 C ATOM 132 CZ TYR A 10 49.231 27.555 -5.015 1.00 1.00 C ATOM 133 OH TYR A 10 50.516 27.795 -5.461 1.00 1.00 O ATOM 0 H TYR A 10 43.371 24.605 -4.669 1.00 1.00 H new ATOM 0 HA TYR A 10 45.944 24.787 -3.402 1.00 1.00 H new ATOM 0 HB2 TYR A 10 44.500 27.251 -4.306 1.00 1.00 H new ATOM 0 HB3 TYR A 10 45.073 27.268 -2.649 1.00 1.00 H new ATOM 0 HD1 TYR A 10 47.537 26.669 -2.201 1.00 1.00 H new ATOM 0 HD2 TYR A 10 46.015 27.523 -6.125 1.00 1.00 H new ATOM 0 HE1 TYR A 10 49.845 27.100 -3.002 1.00 1.00 H new ATOM 0 HE2 TYR A 10 48.322 27.954 -6.926 1.00 1.00 H new ATOM 0 HH TYR A 10 50.493 28.035 -6.411 1.00 1.00 H new ATOM 143 N TYR A 11 43.094 24.157 -2.530 1.00 1.00 N ATOM 144 CA TYR A 11 42.184 23.790 -1.450 1.00 1.00 C ATOM 145 C TYR A 11 42.954 23.164 -0.292 1.00 1.00 C ATOM 146 O TYR A 11 43.129 21.946 -0.237 1.00 1.00 O ATOM 147 CB TYR A 11 41.136 22.802 -1.963 1.00 1.00 C ATOM 148 CG TYR A 11 39.907 23.557 -2.410 1.00 1.00 C ATOM 149 CD1 TYR A 11 39.870 24.145 -3.681 1.00 1.00 C ATOM 150 CD2 TYR A 11 38.806 23.670 -1.554 1.00 1.00 C ATOM 151 CE1 TYR A 11 38.730 24.845 -4.094 1.00 1.00 C ATOM 152 CE2 TYR A 11 37.666 24.370 -1.968 1.00 1.00 C ATOM 153 CZ TYR A 11 37.628 24.957 -3.238 1.00 1.00 C ATOM 154 OH TYR A 11 36.506 25.648 -3.647 1.00 1.00 O ATOM 0 H TYR A 11 42.882 23.726 -3.430 1.00 1.00 H new ATOM 0 HA TYR A 11 41.687 24.693 -1.095 1.00 1.00 H new ATOM 0 HB2 TYR A 11 41.542 22.223 -2.793 1.00 1.00 H new ATOM 0 HB3 TYR A 11 40.874 22.093 -1.178 1.00 1.00 H new ATOM 0 HD1 TYR A 11 40.720 24.058 -4.342 1.00 1.00 H new ATOM 0 HD2 TYR A 11 38.835 23.217 -0.574 1.00 1.00 H new ATOM 0 HE1 TYR A 11 38.701 25.299 -5.074 1.00 1.00 H new ATOM 0 HE2 TYR A 11 36.816 24.457 -1.307 1.00 1.00 H new ATOM 0 HH TYR A 11 35.833 25.630 -2.935 1.00 1.00 H new ATOM 164 N GLY A 12 43.409 24.003 0.633 1.00 1.00 N ATOM 165 CA GLY A 12 44.158 23.520 1.787 1.00 1.00 C ATOM 166 C GLY A 12 43.223 23.206 2.950 1.00 1.00 C ATOM 167 O GLY A 12 42.306 22.395 2.820 1.00 1.00 O ATOM 0 H GLY A 12 43.273 25.014 0.607 1.00 1.00 H new ATOM 0 HA2 GLY A 12 44.718 22.626 1.514 1.00 1.00 H new ATOM 0 HA3 GLY A 12 44.886 24.271 2.093 1.00 1.00 H new ATOM 171 N ALA A 13 43.463 23.853 4.086 1.00 1.00 N ATOM 172 CA ALA A 13 42.636 23.634 5.266 1.00 1.00 C ATOM 173 C ALA A 13 42.359 22.146 5.459 1.00 1.00 C ATOM 174 O ALA A 13 41.215 21.701 5.370 1.00 1.00 O ATOM 175 CB ALA A 13 41.312 24.386 5.123 1.00 1.00 C ATOM 0 H ALA A 13 44.217 24.528 4.214 1.00 1.00 H new ATOM 0 HA ALA A 13 43.174 24.008 6.137 1.00 1.00 H new ATOM 0 HB1 ALA A 13 40.700 24.217 6.009 1.00 1.00 H new ATOM 0 HB2 ALA A 13 41.509 25.453 5.016 1.00 1.00 H new ATOM 0 HB3 ALA A 13 40.782 24.025 4.242 1.00 1.00 H new ATOM 181 N ASP A 14 43.414 21.382 5.722 1.00 1.00 N ATOM 182 CA ASP A 14 43.272 19.945 5.925 1.00 1.00 C ATOM 183 C ASP A 14 42.797 19.648 7.344 1.00 1.00 C ATOM 184 O ASP A 14 43.289 18.726 7.993 1.00 1.00 O ATOM 185 CB ASP A 14 44.613 19.248 5.678 1.00 1.00 C ATOM 186 CG ASP A 14 45.060 19.474 4.238 1.00 1.00 C ATOM 187 OD1 ASP A 14 45.680 20.494 3.984 1.00 1.00 O ATOM 188 OD2 ASP A 14 44.776 18.625 3.409 1.00 1.00 O ATOM 0 H ASP A 14 44.370 21.730 5.799 1.00 1.00 H new ATOM 0 HA ASP A 14 42.531 19.569 5.220 1.00 1.00 H new ATOM 0 HB2 ASP A 14 45.365 19.634 6.366 1.00 1.00 H new ATOM 0 HB3 ASP A 14 44.519 18.180 5.875 1.00 1.00 H new ATOM 193 N ASN A 15 41.838 20.437 7.817 1.00 1.00 N ATOM 194 CA ASN A 15 41.303 20.249 9.161 1.00 1.00 C ATOM 195 C ASN A 15 39.976 19.499 9.110 1.00 1.00 C ATOM 196 O ASN A 15 39.299 19.347 10.126 1.00 1.00 O ATOM 197 CB ASN A 15 41.098 21.607 9.836 1.00 1.00 C ATOM 198 CG ASN A 15 42.443 22.300 10.032 1.00 1.00 C ATOM 199 OD1 ASN A 15 42.655 23.400 9.523 1.00 1.00 O ATOM 200 ND2 ASN A 15 43.368 21.717 10.744 1.00 1.00 N ATOM 0 H ASN A 15 41.418 21.206 7.295 1.00 1.00 H new ATOM 0 HA ASN A 15 42.018 19.661 9.737 1.00 1.00 H new ATOM 0 HB2 ASN A 15 40.444 22.230 9.227 1.00 1.00 H new ATOM 0 HB3 ASN A 15 40.605 21.473 10.799 1.00 1.00 H new ATOM 0 HD21 ASN A 15 44.270 22.173 10.880 1.00 1.00 H new ATOM 0 HD22 ASN A 15 43.189 20.805 11.165 1.00 1.00 H new ATOM 207 N GLN A 16 39.611 19.033 7.920 1.00 1.00 N ATOM 208 CA GLN A 16 38.362 18.299 7.748 1.00 1.00 C ATOM 209 C GLN A 16 38.466 16.912 8.374 1.00 1.00 C ATOM 210 O GLN A 16 38.401 15.899 7.677 1.00 1.00 O ATOM 211 CB GLN A 16 38.035 18.167 6.260 1.00 1.00 C ATOM 212 CG GLN A 16 39.141 17.372 5.562 1.00 1.00 C ATOM 213 CD GLN A 16 39.535 18.061 4.260 1.00 1.00 C ATOM 214 OE1 GLN A 16 39.568 17.426 3.205 1.00 1.00 O ATOM 215 NE2 GLN A 16 39.838 19.330 4.269 1.00 1.00 N ATOM 0 H GLN A 16 40.157 19.149 7.066 1.00 1.00 H new ATOM 0 HA GLN A 16 37.565 18.851 8.247 1.00 1.00 H new ATOM 0 HB2 GLN A 16 37.076 17.666 6.131 1.00 1.00 H new ATOM 0 HB3 GLN A 16 37.942 19.155 5.808 1.00 1.00 H new ATOM 0 HG2 GLN A 16 40.009 17.289 6.216 1.00 1.00 H new ATOM 0 HG3 GLN A 16 38.798 16.358 5.357 1.00 1.00 H new ATOM 0 HE21 GLN A 16 39.810 19.855 5.143 1.00 1.00 H new ATOM 0 HE22 GLN A 16 40.103 19.797 3.402 1.00 1.00 H new ATOM 224 N SER A 17 38.628 16.873 9.692 1.00 1.00 N ATOM 225 CA SER A 17 38.738 15.605 10.402 1.00 1.00 C ATOM 226 C SER A 17 37.563 14.694 10.061 1.00 1.00 C ATOM 227 O SER A 17 36.408 15.034 10.317 1.00 1.00 O ATOM 228 CB SER A 17 38.774 15.851 11.910 1.00 1.00 C ATOM 229 OG SER A 17 39.152 14.652 12.573 1.00 1.00 O ATOM 0 H SER A 17 38.686 17.700 10.287 1.00 1.00 H new ATOM 0 HA SER A 17 39.662 15.117 10.092 1.00 1.00 H new ATOM 0 HB2 SER A 17 39.481 16.647 12.143 1.00 1.00 H new ATOM 0 HB3 SER A 17 37.796 16.181 12.260 1.00 1.00 H new ATOM 0 HG SER A 17 39.178 14.807 13.540 1.00 1.00 H new ATOM 235 N GLU A 18 37.865 13.537 9.481 1.00 1.00 N ATOM 236 CA GLU A 18 36.825 12.585 9.109 1.00 1.00 C ATOM 237 C GLU A 18 36.593 11.579 10.232 1.00 1.00 C ATOM 238 O GLU A 18 37.527 10.921 10.692 1.00 1.00 O ATOM 239 CB GLU A 18 37.227 11.845 7.833 1.00 1.00 C ATOM 240 CG GLU A 18 36.118 10.868 7.438 1.00 1.00 C ATOM 241 CD GLU A 18 35.746 11.065 5.973 1.00 1.00 C ATOM 242 OE1 GLU A 18 36.650 11.113 5.154 1.00 1.00 O ATOM 243 OE2 GLU A 18 34.564 11.167 5.690 1.00 1.00 O ATOM 0 H GLU A 18 38.815 13.237 9.260 1.00 1.00 H new ATOM 0 HA GLU A 18 35.901 13.135 8.933 1.00 1.00 H new ATOM 0 HB2 GLU A 18 37.403 12.557 7.027 1.00 1.00 H new ATOM 0 HB3 GLU A 18 38.161 11.306 7.991 1.00 1.00 H new ATOM 0 HG2 GLU A 18 36.450 9.843 7.603 1.00 1.00 H new ATOM 0 HG3 GLU A 18 35.243 11.025 8.068 1.00 1.00 H new ATOM 250 N CYS A 19 35.343 11.464 10.669 1.00 1.00 N ATOM 251 CA CYS A 19 35.001 10.535 11.740 1.00 1.00 C ATOM 252 C CYS A 19 34.704 9.150 11.172 1.00 1.00 C ATOM 253 O CYS A 19 34.629 8.970 9.956 1.00 1.00 O ATOM 254 CB CYS A 19 33.780 11.047 12.505 1.00 1.00 C ATOM 255 SG CYS A 19 32.457 11.446 11.335 1.00 1.00 S ATOM 0 H CYS A 19 34.556 11.998 10.301 1.00 1.00 H new ATOM 0 HA CYS A 19 35.851 10.463 12.419 1.00 1.00 H new ATOM 0 HB2 CYS A 19 33.438 10.292 13.213 1.00 1.00 H new ATOM 0 HB3 CYS A 19 34.046 11.931 13.085 1.00 1.00 H new ATOM 0 HG CYS A 19 32.604 10.737 10.255 1.00 1.00 H new ATOM 261 N GLU A 20 34.534 8.177 12.060 1.00 1.00 N ATOM 262 CA GLU A 20 34.245 6.811 11.636 1.00 1.00 C ATOM 263 C GLU A 20 35.450 6.205 10.924 1.00 1.00 C ATOM 264 O GLU A 20 35.376 5.099 10.390 1.00 1.00 O ATOM 265 CB GLU A 20 33.037 6.800 10.697 1.00 1.00 C ATOM 266 CG GLU A 20 32.354 5.433 10.760 1.00 1.00 C ATOM 267 CD GLU A 20 31.641 5.145 9.443 1.00 1.00 C ATOM 268 OE1 GLU A 20 32.324 4.990 8.444 1.00 1.00 O ATOM 269 OE2 GLU A 20 30.423 5.084 9.453 1.00 1.00 O ATOM 0 H GLU A 20 34.591 8.306 13.070 1.00 1.00 H new ATOM 0 HA GLU A 20 34.022 6.215 12.521 1.00 1.00 H new ATOM 0 HB2 GLU A 20 32.334 7.583 10.982 1.00 1.00 H new ATOM 0 HB3 GLU A 20 33.355 7.013 9.676 1.00 1.00 H new ATOM 0 HG2 GLU A 20 33.093 4.657 10.960 1.00 1.00 H new ATOM 0 HG3 GLU A 20 31.639 5.412 11.582 1.00 1.00 H new ATOM 276 N TYR A 21 36.560 6.937 10.921 1.00 1.00 N ATOM 277 CA TYR A 21 37.776 6.461 10.272 1.00 1.00 C ATOM 278 C TYR A 21 38.727 5.851 11.297 1.00 1.00 C ATOM 279 O TYR A 21 39.858 5.491 10.971 1.00 1.00 O ATOM 280 CB TYR A 21 38.472 7.618 9.552 1.00 1.00 C ATOM 281 CG TYR A 21 39.691 8.039 10.337 1.00 1.00 C ATOM 282 CD1 TYR A 21 39.545 8.822 11.489 1.00 1.00 C ATOM 283 CD2 TYR A 21 40.966 7.649 9.912 1.00 1.00 C ATOM 284 CE1 TYR A 21 40.676 9.213 12.216 1.00 1.00 C ATOM 285 CE2 TYR A 21 42.096 8.040 10.640 1.00 1.00 C ATOM 286 CZ TYR A 21 41.951 8.822 11.792 1.00 1.00 C ATOM 287 OH TYR A 21 43.066 9.208 12.509 1.00 1.00 O ATOM 0 H TYR A 21 36.642 7.855 11.357 1.00 1.00 H new ATOM 0 HA TYR A 21 37.502 5.695 9.547 1.00 1.00 H new ATOM 0 HB2 TYR A 21 38.761 7.313 8.546 1.00 1.00 H new ATOM 0 HB3 TYR A 21 37.787 8.459 9.445 1.00 1.00 H new ATOM 0 HD1 TYR A 21 38.561 9.124 11.816 1.00 1.00 H new ATOM 0 HD2 TYR A 21 41.078 7.047 9.023 1.00 1.00 H new ATOM 0 HE1 TYR A 21 40.564 9.817 13.105 1.00 1.00 H new ATOM 0 HE2 TYR A 21 43.080 7.738 10.313 1.00 1.00 H new ATOM 0 HH TYR A 21 43.871 8.851 12.079 1.00 1.00 H new ATOM 297 N THR A 22 38.260 5.738 12.536 1.00 1.00 N ATOM 298 CA THR A 22 39.078 5.170 13.601 1.00 1.00 C ATOM 299 C THR A 22 38.911 3.655 13.657 1.00 1.00 C ATOM 300 O THR A 22 39.846 2.928 13.990 1.00 1.00 O ATOM 301 CB THR A 22 38.681 5.779 14.947 1.00 1.00 C ATOM 302 OG1 THR A 22 38.480 7.177 14.791 1.00 1.00 O ATOM 303 CG2 THR A 22 39.790 5.532 15.970 1.00 1.00 C ATOM 0 H THR A 22 37.327 6.030 12.826 1.00 1.00 H new ATOM 0 HA THR A 22 40.123 5.401 13.392 1.00 1.00 H new ATOM 0 HB THR A 22 37.759 5.315 15.297 1.00 1.00 H new ATOM 0 HG1 THR A 22 38.224 7.569 15.652 1.00 1.00 H new ATOM 0 HG21 THR A 22 39.505 5.967 16.928 1.00 1.00 H new ATOM 0 HG22 THR A 22 39.943 4.459 16.089 1.00 1.00 H new ATOM 0 HG23 THR A 22 40.714 5.994 15.623 1.00 1.00 H new ATOM 311 N ASP A 23 37.711 3.186 13.327 1.00 1.00 N ATOM 312 CA ASP A 23 37.432 1.755 13.343 1.00 1.00 C ATOM 313 C ASP A 23 38.127 1.060 12.177 1.00 1.00 C ATOM 314 O ASP A 23 38.241 -0.165 12.150 1.00 1.00 O ATOM 315 CB ASP A 23 35.922 1.516 13.255 1.00 1.00 C ATOM 316 CG ASP A 23 35.503 1.371 11.797 1.00 1.00 C ATOM 317 OD1 ASP A 23 35.529 0.256 11.301 1.00 1.00 O ATOM 318 OD2 ASP A 23 35.160 2.376 11.196 1.00 1.00 O ATOM 0 H ASP A 23 36.923 3.771 13.048 1.00 1.00 H new ATOM 0 HA ASP A 23 37.812 1.341 14.277 1.00 1.00 H new ATOM 0 HB2 ASP A 23 35.655 0.617 13.810 1.00 1.00 H new ATOM 0 HB3 ASP A 23 35.386 2.346 13.715 1.00 1.00 H new ATOM 323 N TRP A 24 38.590 1.850 11.214 1.00 1.00 N ATOM 324 CA TRP A 24 39.273 1.301 10.049 1.00 1.00 C ATOM 325 C TRP A 24 40.494 0.493 10.476 1.00 1.00 C ATOM 326 O TRP A 24 40.542 -0.039 11.585 1.00 1.00 O ATOM 327 CB TRP A 24 39.707 2.433 9.116 1.00 1.00 C ATOM 328 CG TRP A 24 40.978 3.036 9.623 1.00 1.00 C ATOM 329 CD1 TRP A 24 41.261 3.272 10.924 1.00 1.00 C ATOM 330 CD2 TRP A 24 42.139 3.482 8.863 1.00 1.00 C ATOM 331 NE1 TRP A 24 42.523 3.836 11.011 1.00 1.00 N ATOM 332 CE2 TRP A 24 43.104 3.984 9.768 1.00 1.00 C ATOM 333 CE3 TRP A 24 42.446 3.498 7.491 1.00 1.00 C ATOM 334 CZ2 TRP A 24 44.330 4.486 9.327 1.00 1.00 C ATOM 335 CZ3 TRP A 24 43.679 4.002 7.042 1.00 1.00 C ATOM 336 CH2 TRP A 24 44.618 4.495 7.959 1.00 1.00 C ATOM 0 H TRP A 24 38.505 2.866 11.217 1.00 1.00 H new ATOM 0 HA TRP A 24 38.582 0.643 9.522 1.00 1.00 H new ATOM 0 HB2 TRP A 24 39.851 2.051 8.105 1.00 1.00 H new ATOM 0 HB3 TRP A 24 38.928 3.193 9.062 1.00 1.00 H new ATOM 0 HD1 TRP A 24 40.610 3.056 11.758 1.00 1.00 H new ATOM 0 HE1 TRP A 24 42.969 4.109 11.887 1.00 1.00 H new ATOM 0 HE3 TRP A 24 41.729 3.120 6.777 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 45.050 4.864 10.037 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 43.904 4.010 5.986 1.00 1.00 H new ATOM 0 HH2 TRP A 24 45.564 4.882 7.609 1.00 1.00 H new ATOM 347 N LYS A 25 41.478 0.404 9.587 1.00 1.00 N ATOM 348 CA LYS A 25 42.696 -0.342 9.881 1.00 1.00 C ATOM 349 C LYS A 25 43.370 0.204 11.135 1.00 1.00 C ATOM 350 O LYS A 25 44.335 0.964 11.053 1.00 1.00 O ATOM 351 CB LYS A 25 43.663 -0.250 8.699 1.00 1.00 C ATOM 352 CG LYS A 25 42.979 -0.779 7.437 1.00 1.00 C ATOM 353 CD LYS A 25 43.936 -0.661 6.249 1.00 1.00 C ATOM 354 CE LYS A 25 43.763 0.708 5.588 1.00 1.00 C ATOM 355 NZ LYS A 25 44.721 0.835 4.454 1.00 1.00 N ATOM 0 H LYS A 25 41.457 0.836 8.663 1.00 1.00 H new ATOM 0 HA LYS A 25 42.428 -1.385 10.051 1.00 1.00 H new ATOM 0 HB2 LYS A 25 43.975 0.784 8.550 1.00 1.00 H new ATOM 0 HB3 LYS A 25 44.564 -0.828 8.907 1.00 1.00 H new ATOM 0 HG2 LYS A 25 42.685 -1.819 7.579 1.00 1.00 H new ATOM 0 HG3 LYS A 25 42.068 -0.214 7.241 1.00 1.00 H new ATOM 0 HD2 LYS A 25 44.966 -0.787 6.584 1.00 1.00 H new ATOM 0 HD3 LYS A 25 43.736 -1.453 5.527 1.00 1.00 H new ATOM 0 HE2 LYS A 25 42.740 0.824 5.229 1.00 1.00 H new ATOM 0 HE3 LYS A 25 43.937 1.500 6.316 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 44.605 1.765 4.004 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 45.694 0.742 4.809 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 44.534 0.087 3.756 1.00 1.00 H new ATOM 369 N SER A 26 42.855 -0.189 12.296 1.00 1.00 N ATOM 370 CA SER A 26 43.412 0.265 13.565 1.00 1.00 C ATOM 371 C SER A 26 44.229 -0.846 14.216 1.00 1.00 C ATOM 372 O SER A 26 44.275 -0.960 15.440 1.00 1.00 O ATOM 373 CB SER A 26 42.287 0.692 14.508 1.00 1.00 C ATOM 374 OG SER A 26 42.783 1.659 15.423 1.00 1.00 O ATOM 0 H SER A 26 42.057 -0.818 12.384 1.00 1.00 H new ATOM 0 HA SER A 26 44.064 1.117 13.371 1.00 1.00 H new ATOM 0 HB2 SER A 26 41.456 1.107 13.937 1.00 1.00 H new ATOM 0 HB3 SER A 26 41.902 -0.173 15.048 1.00 1.00 H new ATOM 0 HG SER A 26 42.109 2.357 15.559 1.00 1.00 H new ATOM 380 N SER A 27 44.870 -1.664 13.386 1.00 1.00 N ATOM 381 CA SER A 27 45.684 -2.766 13.887 1.00 1.00 C ATOM 382 C SER A 27 44.800 -3.945 14.282 1.00 1.00 C ATOM 383 O SER A 27 45.148 -4.722 15.171 1.00 1.00 O ATOM 384 CB SER A 27 46.498 -2.308 15.097 1.00 1.00 C ATOM 385 OG SER A 27 47.744 -2.993 15.110 1.00 1.00 O ATOM 0 H SER A 27 44.842 -1.585 12.369 1.00 1.00 H new ATOM 0 HA SER A 27 46.362 -3.082 13.094 1.00 1.00 H new ATOM 0 HB2 SER A 27 46.662 -1.231 15.053 1.00 1.00 H new ATOM 0 HB3 SER A 27 45.949 -2.510 16.017 1.00 1.00 H new ATOM 0 HG SER A 27 48.270 -2.701 15.884 1.00 1.00 H new ATOM 391 N GLY A 28 43.658 -4.072 13.615 1.00 1.00 N ATOM 392 CA GLY A 28 42.732 -5.161 13.904 1.00 1.00 C ATOM 393 C GLY A 28 41.625 -4.702 14.846 1.00 1.00 C ATOM 394 O GLY A 28 41.153 -5.469 15.685 1.00 1.00 O ATOM 0 H GLY A 28 43.353 -3.439 12.876 1.00 1.00 H new ATOM 0 HA2 GLY A 28 42.295 -5.528 12.975 1.00 1.00 H new ATOM 0 HA3 GLY A 28 43.273 -5.994 14.352 1.00 1.00 H new ATOM 398 N ALA A 29 41.212 -3.446 14.700 1.00 1.00 N ATOM 399 CA ALA A 29 40.158 -2.896 15.545 1.00 1.00 C ATOM 400 C ALA A 29 40.343 -3.342 16.991 1.00 1.00 C ATOM 401 O ALA A 29 39.550 -4.126 17.514 1.00 1.00 O ATOM 402 CB ALA A 29 38.791 -3.356 15.037 1.00 1.00 C ATOM 0 H ALA A 29 41.588 -2.795 14.010 1.00 1.00 H new ATOM 0 HA ALA A 29 40.214 -1.808 15.504 1.00 1.00 H new ATOM 0 HB1 ALA A 29 38.008 -2.942 15.673 1.00 1.00 H new ATOM 0 HB2 ALA A 29 38.648 -3.010 14.013 1.00 1.00 H new ATOM 0 HB3 ALA A 29 38.741 -4.445 15.063 1.00 1.00 H new ATOM 408 N LEU A 30 41.393 -2.835 17.632 1.00 1.00 N ATOM 409 CA LEU A 30 41.679 -3.182 19.020 1.00 1.00 C ATOM 410 C LEU A 30 41.837 -1.922 19.864 1.00 1.00 C ATOM 411 O LEU A 30 41.481 -1.904 21.042 1.00 1.00 O ATOM 412 CB LEU A 30 42.959 -4.016 19.098 1.00 1.00 C ATOM 413 CG LEU A 30 42.620 -5.493 18.886 1.00 1.00 C ATOM 414 CD1 LEU A 30 43.841 -6.220 18.319 1.00 1.00 C ATOM 415 CD2 LEU A 30 42.229 -6.122 20.226 1.00 1.00 C ATOM 0 H LEU A 30 42.058 -2.184 17.213 1.00 1.00 H new ATOM 0 HA LEU A 30 40.844 -3.764 19.409 1.00 1.00 H new ATOM 0 HB2 LEU A 30 43.669 -3.683 18.341 1.00 1.00 H new ATOM 0 HB3 LEU A 30 43.437 -3.877 20.068 1.00 1.00 H new ATOM 0 HG LEU A 30 41.789 -5.579 18.186 1.00 1.00 H new ATOM 0 HD11 LEU A 30 43.600 -7.272 18.168 1.00 1.00 H new ATOM 0 HD12 LEU A 30 44.122 -5.771 17.366 1.00 1.00 H new ATOM 0 HD13 LEU A 30 44.672 -6.135 19.019 1.00 1.00 H new ATOM 0 HD21 LEU A 30 41.987 -7.174 20.077 1.00 1.00 H new ATOM 0 HD22 LEU A 30 43.061 -6.036 20.925 1.00 1.00 H new ATOM 0 HD23 LEU A 30 41.360 -5.604 20.631 1.00 1.00 H new ATOM 427 N ILE A 31 42.373 -0.869 19.254 1.00 1.00 N ATOM 428 CA ILE A 31 42.572 0.390 19.962 1.00 1.00 C ATOM 429 C ILE A 31 41.283 1.224 19.997 1.00 1.00 C ATOM 430 O ILE A 31 41.035 1.927 20.976 1.00 1.00 O ATOM 431 CB ILE A 31 43.706 1.191 19.306 1.00 1.00 C ATOM 432 CG1 ILE A 31 45.051 0.730 19.884 1.00 1.00 C ATOM 433 CG2 ILE A 31 43.515 2.689 19.571 1.00 1.00 C ATOM 434 CD1 ILE A 31 45.383 1.527 21.149 1.00 1.00 C ATOM 0 H ILE A 31 42.675 -0.862 18.280 1.00 1.00 H new ATOM 0 HA ILE A 31 42.846 0.157 20.991 1.00 1.00 H new ATOM 0 HB ILE A 31 43.691 1.020 18.230 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.010 -0.334 20.116 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.839 0.865 19.143 1.00 1.00 H new ATOM 0 HG21 ILE A 31 44.325 3.248 19.101 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.561 3.013 19.155 1.00 1.00 H new ATOM 0 HG23 ILE A 31 43.523 2.872 20.645 1.00 1.00 H new ATOM 0 HD11 ILE A 31 46.339 1.191 21.550 1.00 1.00 H new ATOM 0 HD12 ILE A 31 45.444 2.588 20.905 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.602 1.370 21.893 1.00 1.00 H new ATOM 446 N PRO A 32 40.461 1.172 18.971 1.00 1.00 N ATOM 447 CA PRO A 32 39.189 1.957 18.935 1.00 1.00 C ATOM 448 C PRO A 32 38.279 1.620 20.113 1.00 1.00 C ATOM 449 O PRO A 32 37.579 2.487 20.637 1.00 1.00 O ATOM 450 CB PRO A 32 38.535 1.557 17.607 1.00 1.00 C ATOM 451 CG PRO A 32 39.634 0.992 16.773 1.00 1.00 C ATOM 452 CD PRO A 32 40.636 0.377 17.745 1.00 1.00 C ATOM 0 HA PRO A 32 39.372 3.029 19.010 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.745 0.822 17.765 1.00 1.00 H new ATOM 0 HB3 PRO A 32 38.077 2.418 17.121 1.00 1.00 H new ATOM 0 HG2 PRO A 32 39.251 0.241 16.082 1.00 1.00 H new ATOM 0 HG3 PRO A 32 40.104 1.769 16.170 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.430 -0.679 17.919 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.656 0.444 17.366 1.00 1.00 H new ATOM 460 N ALA A 33 38.293 0.355 20.522 1.00 1.00 N ATOM 461 CA ALA A 33 37.465 -0.085 21.639 1.00 1.00 C ATOM 462 C ALA A 33 37.978 0.503 22.949 1.00 1.00 C ATOM 463 O ALA A 33 37.212 0.705 23.892 1.00 1.00 O ATOM 464 CB ALA A 33 37.474 -1.613 21.724 1.00 1.00 C ATOM 0 H ALA A 33 38.864 -0.378 20.101 1.00 1.00 H new ATOM 0 HA ALA A 33 36.446 0.263 21.472 1.00 1.00 H new ATOM 0 HB1 ALA A 33 36.854 -1.935 22.561 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.080 -2.031 20.798 1.00 1.00 H new ATOM 0 HB3 ALA A 33 38.495 -1.963 21.874 1.00 1.00 H new ATOM 470 N ILE A 34 39.277 0.775 23.001 1.00 1.00 N ATOM 471 CA ILE A 34 39.881 1.342 24.202 1.00 1.00 C ATOM 472 C ILE A 34 39.682 2.853 24.238 1.00 1.00 C ATOM 473 O ILE A 34 39.940 3.499 25.253 1.00 1.00 O ATOM 474 CB ILE A 34 41.376 1.021 24.237 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.570 -0.461 24.565 1.00 1.00 C ATOM 476 CG2 ILE A 34 42.057 1.873 25.308 1.00 1.00 C ATOM 477 CD1 ILE A 34 43.013 -0.868 24.258 1.00 1.00 C ATOM 0 H ILE A 34 39.928 0.614 22.233 1.00 1.00 H new ATOM 0 HA ILE A 34 39.396 0.902 25.073 1.00 1.00 H new ATOM 0 HB ILE A 34 41.818 1.240 23.265 1.00 1.00 H new ATOM 0 HG12 ILE A 34 41.345 -0.644 25.616 1.00 1.00 H new ATOM 0 HG13 ILE A 34 40.878 -1.067 23.981 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.122 1.644 25.332 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.918 2.929 25.076 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.617 1.655 26.281 1.00 1.00 H new ATOM 0 HD11 ILE A 34 43.151 -1.924 24.492 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.221 -0.700 23.201 1.00 1.00 H new ATOM 0 HD13 ILE A 34 43.696 -0.270 24.862 1.00 1.00 H new ATOM 489 N TYR A 35 39.219 3.409 23.123 1.00 1.00 N ATOM 490 CA TYR A 35 38.986 4.846 23.036 1.00 1.00 C ATOM 491 C TYR A 35 37.654 5.210 23.682 1.00 1.00 C ATOM 492 O TYR A 35 37.601 6.032 24.598 1.00 1.00 O ATOM 493 CB TYR A 35 38.983 5.286 21.572 1.00 1.00 C ATOM 494 CG TYR A 35 40.150 6.211 21.321 1.00 1.00 C ATOM 495 CD1 TYR A 35 40.045 7.572 21.634 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.337 5.708 20.776 1.00 1.00 C ATOM 497 CE1 TYR A 35 41.127 8.429 21.401 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.419 6.565 20.542 1.00 1.00 C ATOM 499 CZ TYR A 35 42.314 7.927 20.855 1.00 1.00 C ATOM 500 OH TYR A 35 43.380 8.771 20.625 1.00 1.00 O ATOM 0 H TYR A 35 38.999 2.890 22.273 1.00 1.00 H new ATOM 0 HA TYR A 35 39.788 5.360 23.567 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.049 4.415 20.920 1.00 1.00 H new ATOM 0 HB3 TYR A 35 38.047 5.792 21.335 1.00 1.00 H new ATOM 0 HD1 TYR A 35 39.129 7.960 22.055 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.418 4.658 20.536 1.00 1.00 H new ATOM 0 HE1 TYR A 35 41.046 9.478 21.643 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.334 6.177 20.120 1.00 1.00 H new ATOM 0 HH TYR A 35 44.125 8.261 20.244 1.00 1.00 H new ATOM 510 N MET A 36 36.581 4.593 23.201 1.00 1.00 N ATOM 511 CA MET A 36 35.252 4.859 23.739 1.00 1.00 C ATOM 512 C MET A 36 35.174 4.434 25.201 1.00 1.00 C ATOM 513 O MET A 36 34.440 5.025 25.992 1.00 1.00 O ATOM 514 CB MET A 36 34.199 4.104 22.927 1.00 1.00 C ATOM 515 CG MET A 36 34.176 4.643 21.496 1.00 1.00 C ATOM 516 SD MET A 36 33.458 3.401 20.394 1.00 1.00 S ATOM 517 CE MET A 36 34.375 3.862 18.904 1.00 1.00 C ATOM 0 H MET A 36 36.604 3.909 22.444 1.00 1.00 H new ATOM 0 HA MET A 36 35.060 5.930 23.673 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.424 3.038 22.922 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.218 4.220 23.387 1.00 1.00 H new ATOM 0 HG2 MET A 36 33.594 5.563 21.452 1.00 1.00 H new ATOM 0 HG3 MET A 36 35.187 4.890 21.173 1.00 1.00 H new ATOM 0 HE1 MET A 36 34.082 3.211 18.081 1.00 1.00 H new ATOM 0 HE2 MET A 36 34.152 4.897 18.645 1.00 1.00 H new ATOM 0 HE3 MET A 36 35.444 3.757 19.088 1.00 1.00 H new ATOM 527 N LEU A 37 35.939 3.404 25.553 1.00 1.00 N ATOM 528 CA LEU A 37 35.950 2.911 26.925 1.00 1.00 C ATOM 529 C LEU A 37 36.410 4.007 27.881 1.00 1.00 C ATOM 530 O LEU A 37 36.454 3.806 29.094 1.00 1.00 O ATOM 531 CB LEU A 37 36.884 1.704 27.040 1.00 1.00 C ATOM 532 CG LEU A 37 36.067 0.454 27.370 1.00 1.00 C ATOM 533 CD1 LEU A 37 36.974 -0.777 27.315 1.00 1.00 C ATOM 534 CD2 LEU A 37 35.476 0.589 28.774 1.00 1.00 C ATOM 0 H LEU A 37 36.553 2.900 24.914 1.00 1.00 H new ATOM 0 HA LEU A 37 34.937 2.611 27.193 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.426 1.560 26.105 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.628 1.880 27.817 1.00 1.00 H new ATOM 0 HG LEU A 37 35.261 0.344 26.645 1.00 1.00 H new ATOM 0 HD11 LEU A 37 36.392 -1.668 27.550 1.00 1.00 H new ATOM 0 HD12 LEU A 37 37.397 -0.873 26.315 1.00 1.00 H new ATOM 0 HD13 LEU A 37 37.780 -0.668 28.041 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.893 -0.301 29.011 1.00 1.00 H new ATOM 0 HD22 LEU A 37 36.282 0.698 29.499 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.830 1.466 28.814 1.00 1.00 H new ATOM 546 N VAL A 38 36.752 5.163 27.320 1.00 1.00 N ATOM 547 CA VAL A 38 37.211 6.292 28.124 1.00 1.00 C ATOM 548 C VAL A 38 36.426 7.552 27.772 1.00 1.00 C ATOM 549 O VAL A 38 36.780 8.653 28.194 1.00 1.00 O ATOM 550 CB VAL A 38 38.701 6.534 27.880 1.00 1.00 C ATOM 551 CG1 VAL A 38 39.175 7.722 28.721 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.490 5.283 28.278 1.00 1.00 C ATOM 0 H VAL A 38 36.720 5.343 26.316 1.00 1.00 H new ATOM 0 HA VAL A 38 37.048 6.056 29.176 1.00 1.00 H new ATOM 0 HB VAL A 38 38.864 6.751 26.824 1.00 1.00 H new ATOM 0 HG11 VAL A 38 40.237 7.892 28.545 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.614 8.613 28.441 1.00 1.00 H new ATOM 0 HG13 VAL A 38 39.012 7.508 29.777 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.553 5.453 28.105 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.324 5.069 29.334 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.156 4.436 27.679 1.00 1.00 H new ATOM 562 N PHE A 39 35.360 7.378 26.994 1.00 1.00 N ATOM 563 CA PHE A 39 34.527 8.504 26.586 1.00 1.00 C ATOM 564 C PHE A 39 33.060 8.224 26.894 1.00 1.00 C ATOM 565 O PHE A 39 32.164 8.807 26.284 1.00 1.00 O ATOM 566 CB PHE A 39 34.694 8.759 25.086 1.00 1.00 C ATOM 567 CG PHE A 39 34.017 10.057 24.716 1.00 1.00 C ATOM 568 CD1 PHE A 39 34.567 11.276 25.131 1.00 1.00 C ATOM 569 CD2 PHE A 39 32.841 10.043 23.957 1.00 1.00 C ATOM 570 CE1 PHE A 39 33.941 12.480 24.788 1.00 1.00 C ATOM 571 CE2 PHE A 39 32.214 11.248 23.614 1.00 1.00 C ATOM 572 CZ PHE A 39 32.765 12.466 24.029 1.00 1.00 C ATOM 0 H PHE A 39 35.055 6.473 26.636 1.00 1.00 H new ATOM 0 HA PHE A 39 34.842 9.386 27.143 1.00 1.00 H new ATOM 0 HB2 PHE A 39 35.753 8.803 24.830 1.00 1.00 H new ATOM 0 HB3 PHE A 39 34.262 7.936 24.516 1.00 1.00 H new ATOM 0 HD1 PHE A 39 35.475 11.287 25.716 1.00 1.00 H new ATOM 0 HD2 PHE A 39 32.417 9.103 23.636 1.00 1.00 H new ATOM 0 HE1 PHE A 39 34.365 13.420 25.109 1.00 1.00 H new ATOM 0 HE2 PHE A 39 31.306 11.237 23.030 1.00 1.00 H new ATOM 0 HZ PHE A 39 32.283 13.395 23.764 1.00 1.00 H new ATOM 582 N LEU A 40 32.821 7.329 27.848 1.00 1.00 N ATOM 583 CA LEU A 40 31.457 6.982 28.230 1.00 1.00 C ATOM 584 C LEU A 40 31.341 6.850 29.744 1.00 1.00 C ATOM 585 O LEU A 40 30.238 6.797 30.289 1.00 1.00 O ATOM 586 CB LEU A 40 31.042 5.670 27.555 1.00 1.00 C ATOM 587 CG LEU A 40 32.022 4.547 27.938 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.747 4.027 29.359 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.876 3.394 26.945 1.00 1.00 C ATOM 0 H LEU A 40 33.547 6.835 28.366 1.00 1.00 H new ATOM 0 HA LEU A 40 30.791 7.780 27.901 1.00 1.00 H new ATOM 0 HB2 LEU A 40 30.030 5.400 27.858 1.00 1.00 H new ATOM 0 HB3 LEU A 40 31.027 5.797 26.473 1.00 1.00 H new ATOM 0 HG LEU A 40 33.034 4.950 27.910 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.456 3.235 29.600 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.859 4.843 30.073 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.732 3.634 29.413 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.568 2.595 27.211 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.855 3.015 26.976 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.101 3.749 25.939 1.00 1.00 H new ATOM 601 N LEU A 41 32.484 6.804 30.420 1.00 1.00 N ATOM 602 CA LEU A 41 32.493 6.683 31.873 1.00 1.00 C ATOM 603 C LEU A 41 32.368 8.062 32.513 1.00 1.00 C ATOM 604 O LEU A 41 31.882 8.196 33.636 1.00 1.00 O ATOM 605 CB LEU A 41 33.783 5.988 32.335 1.00 1.00 C ATOM 606 CG LEU A 41 34.913 7.018 32.522 1.00 1.00 C ATOM 607 CD1 LEU A 41 34.843 7.673 33.912 1.00 1.00 C ATOM 608 CD2 LEU A 41 36.260 6.308 32.377 1.00 1.00 C ATOM 0 H LEU A 41 33.408 6.848 29.990 1.00 1.00 H new ATOM 0 HA LEU A 41 31.642 6.078 32.186 1.00 1.00 H new ATOM 0 HB2 LEU A 41 33.604 5.462 33.273 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.083 5.240 31.601 1.00 1.00 H new ATOM 0 HG LEU A 41 34.801 7.795 31.766 1.00 1.00 H new ATOM 0 HD11 LEU A 41 35.653 8.395 34.015 1.00 1.00 H new ATOM 0 HD12 LEU A 41 33.886 8.182 34.027 1.00 1.00 H new ATOM 0 HD13 LEU A 41 34.941 6.906 34.681 1.00 1.00 H new ATOM 0 HD21 LEU A 41 37.067 7.029 32.508 1.00 1.00 H new ATOM 0 HD22 LEU A 41 36.344 5.528 33.134 1.00 1.00 H new ATOM 0 HD23 LEU A 41 36.330 5.860 31.386 1.00 1.00 H new ATOM 620 N GLY A 42 32.805 9.084 31.785 1.00 1.00 N ATOM 621 CA GLY A 42 32.734 10.452 32.284 1.00 1.00 C ATOM 622 C GLY A 42 31.591 11.209 31.618 1.00 1.00 C ATOM 623 O GLY A 42 31.267 12.331 32.008 1.00 1.00 O ATOM 0 H GLY A 42 33.210 8.992 30.853 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.590 10.443 33.364 1.00 1.00 H new ATOM 0 HA3 GLY A 42 33.677 10.964 32.092 1.00 1.00 H new ATOM 627 N THR A 43 30.982 10.584 30.613 1.00 1.00 N ATOM 628 CA THR A 43 29.873 11.205 29.898 1.00 1.00 C ATOM 629 C THR A 43 28.737 10.207 29.699 1.00 1.00 C ATOM 630 O THR A 43 28.679 9.508 28.687 1.00 1.00 O ATOM 631 CB THR A 43 30.348 11.721 28.538 1.00 1.00 C ATOM 632 OG1 THR A 43 30.455 10.635 27.629 1.00 1.00 O ATOM 633 CG2 THR A 43 31.711 12.393 28.694 1.00 1.00 C ATOM 0 H THR A 43 31.236 9.655 30.278 1.00 1.00 H new ATOM 0 HA THR A 43 29.506 12.041 30.493 1.00 1.00 H new ATOM 0 HB THR A 43 29.629 12.445 28.154 1.00 1.00 H new ATOM 0 HG1 THR A 43 29.563 10.272 27.447 1.00 1.00 H new ATOM 0 HG21 THR A 43 32.049 12.760 27.725 1.00 1.00 H new ATOM 0 HG22 THR A 43 31.627 13.228 29.389 1.00 1.00 H new ATOM 0 HG23 THR A 43 32.431 11.671 29.079 1.00 1.00 H new ATOM 641 N THR A 44 27.838 10.151 30.673 1.00 1.00 N ATOM 642 CA THR A 44 26.700 9.240 30.609 1.00 1.00 C ATOM 643 C THR A 44 25.803 9.434 31.826 1.00 1.00 C ATOM 644 O THR A 44 24.682 9.928 31.713 1.00 1.00 O ATOM 645 CB THR A 44 27.185 7.787 30.570 1.00 1.00 C ATOM 646 OG1 THR A 44 27.654 7.477 29.266 1.00 1.00 O ATOM 647 CG2 THR A 44 26.031 6.852 30.932 1.00 1.00 C ATOM 0 H THR A 44 27.874 10.724 31.516 1.00 1.00 H new ATOM 0 HA THR A 44 26.136 9.458 29.702 1.00 1.00 H new ATOM 0 HB THR A 44 27.995 7.658 31.287 1.00 1.00 H new ATOM 0 HG1 THR A 44 27.775 8.305 28.756 1.00 1.00 H new ATOM 0 HG21 THR A 44 26.377 5.819 30.904 1.00 1.00 H new ATOM 0 HG22 THR A 44 25.673 7.087 31.934 1.00 1.00 H new ATOM 0 HG23 THR A 44 25.219 6.982 30.216 1.00 1.00 H new ATOM 655 N GLY A 45 26.312 9.041 32.988 1.00 1.00 N ATOM 656 CA GLY A 45 25.559 9.173 34.227 1.00 1.00 C ATOM 657 C GLY A 45 26.448 9.706 35.345 1.00 1.00 C ATOM 658 O GLY A 45 26.089 9.645 36.521 1.00 1.00 O ATOM 0 H GLY A 45 27.239 8.630 33.097 1.00 1.00 H new ATOM 0 HA2 GLY A 45 24.715 9.846 34.075 1.00 1.00 H new ATOM 0 HA3 GLY A 45 25.148 8.205 34.513 1.00 1.00 H new ATOM 662 N ASN A 46 27.611 10.225 34.967 1.00 1.00 N ATOM 663 CA ASN A 46 28.550 10.767 35.944 1.00 1.00 C ATOM 664 C ASN A 46 27.942 11.962 36.668 1.00 1.00 C ATOM 665 O ASN A 46 28.359 13.103 36.465 1.00 1.00 O ATOM 666 CB ASN A 46 29.842 11.195 35.242 1.00 1.00 C ATOM 667 CG ASN A 46 29.554 12.328 34.264 1.00 1.00 C ATOM 668 OD1 ASN A 46 29.076 12.052 33.082 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 29.768 13.496 34.587 1.00 1.00 N flip ATOM 0 H ASN A 46 27.925 10.282 33.998 1.00 1.00 H new ATOM 0 HA ASN A 46 28.773 9.991 36.676 1.00 1.00 H new ATOM 0 HB2 ASN A 46 30.576 11.518 35.980 1.00 1.00 H new ATOM 0 HB3 ASN A 46 30.275 10.347 34.711 1.00 1.00 H new ATOM 0 HD21 ASN A 46 30.142 13.709 35.512 1.00 1.00 H new ATOM 0 HD22 ASN A 46 29.572 14.251 33.930 1.00 1.00 H new ATOM 676 N GLY A 47 26.954 11.694 37.516 1.00 1.00 N ATOM 677 CA GLY A 47 26.294 12.755 38.267 1.00 1.00 C ATOM 678 C GLY A 47 25.676 12.209 39.549 1.00 1.00 C ATOM 679 O GLY A 47 25.708 12.862 40.592 1.00 1.00 O ATOM 0 H GLY A 47 26.595 10.757 37.699 1.00 1.00 H new ATOM 0 HA2 GLY A 47 27.014 13.537 38.510 1.00 1.00 H new ATOM 0 HA3 GLY A 47 25.520 13.214 37.652 1.00 1.00 H new ATOM 683 N LEU A 48 25.116 11.007 39.464 1.00 1.00 N ATOM 684 CA LEU A 48 24.494 10.381 40.624 1.00 1.00 C ATOM 685 C LEU A 48 24.840 8.896 40.679 1.00 1.00 C ATOM 686 O LEU A 48 24.684 8.250 41.715 1.00 1.00 O ATOM 687 CB LEU A 48 22.974 10.552 40.559 1.00 1.00 C ATOM 688 CG LEU A 48 22.504 11.414 41.732 1.00 1.00 C ATOM 689 CD1 LEU A 48 21.011 11.708 41.585 1.00 1.00 C ATOM 690 CD2 LEU A 48 22.748 10.667 43.046 1.00 1.00 C ATOM 0 H LEU A 48 25.080 10.450 38.610 1.00 1.00 H new ATOM 0 HA LEU A 48 24.874 10.865 41.523 1.00 1.00 H new ATOM 0 HB2 LEU A 48 22.690 11.018 39.615 1.00 1.00 H new ATOM 0 HB3 LEU A 48 22.487 9.578 40.592 1.00 1.00 H new ATOM 0 HG LEU A 48 23.060 12.351 41.737 1.00 1.00 H new ATOM 0 HD11 LEU A 48 20.677 12.322 42.421 1.00 1.00 H new ATOM 0 HD12 LEU A 48 20.835 12.241 40.650 1.00 1.00 H new ATOM 0 HD13 LEU A 48 20.455 10.771 41.578 1.00 1.00 H new ATOM 0 HD21 LEU A 48 22.413 11.282 43.882 1.00 1.00 H new ATOM 0 HD22 LEU A 48 22.193 9.729 43.040 1.00 1.00 H new ATOM 0 HD23 LEU A 48 23.812 10.458 43.153 1.00 1.00 H new ATOM 702 N VAL A 49 25.311 8.363 39.557 1.00 1.00 N ATOM 703 CA VAL A 49 25.678 6.953 39.489 1.00 1.00 C ATOM 704 C VAL A 49 26.911 6.681 40.344 1.00 1.00 C ATOM 705 O VAL A 49 27.120 5.560 40.807 1.00 1.00 O ATOM 706 CB VAL A 49 25.960 6.556 38.040 1.00 1.00 C ATOM 707 CG1 VAL A 49 26.435 5.103 37.991 1.00 1.00 C ATOM 708 CG2 VAL A 49 24.679 6.700 37.214 1.00 1.00 C ATOM 0 H VAL A 49 25.447 8.881 38.689 1.00 1.00 H new ATOM 0 HA VAL A 49 24.847 6.360 39.871 1.00 1.00 H new ATOM 0 HB VAL A 49 26.734 7.205 37.630 1.00 1.00 H new ATOM 0 HG11 VAL A 49 26.636 4.821 36.958 1.00 1.00 H new ATOM 0 HG12 VAL A 49 27.346 4.998 38.580 1.00 1.00 H new ATOM 0 HG13 VAL A 49 25.662 4.453 38.401 1.00 1.00 H new ATOM 0 HG21 VAL A 49 24.879 6.417 36.180 1.00 1.00 H new ATOM 0 HG22 VAL A 49 23.906 6.051 37.625 1.00 1.00 H new ATOM 0 HG23 VAL A 49 24.339 7.735 37.248 1.00 1.00 H new ATOM 718 N LEU A 50 27.722 7.713 40.550 1.00 1.00 N ATOM 719 CA LEU A 50 28.930 7.571 41.354 1.00 1.00 C ATOM 720 C LEU A 50 28.592 7.673 42.837 1.00 1.00 C ATOM 721 O LEU A 50 29.215 7.017 43.672 1.00 1.00 O ATOM 722 CB LEU A 50 29.942 8.658 40.983 1.00 1.00 C ATOM 723 CG LEU A 50 29.804 9.007 39.500 1.00 1.00 C ATOM 724 CD1 LEU A 50 30.910 9.985 39.101 1.00 1.00 C ATOM 725 CD2 LEU A 50 29.926 7.732 38.663 1.00 1.00 C ATOM 0 H LEU A 50 27.567 8.649 40.175 1.00 1.00 H new ATOM 0 HA LEU A 50 29.366 6.592 41.154 1.00 1.00 H new ATOM 0 HB2 LEU A 50 29.776 9.546 41.592 1.00 1.00 H new ATOM 0 HB3 LEU A 50 30.954 8.313 41.192 1.00 1.00 H new ATOM 0 HG LEU A 50 28.831 9.467 39.324 1.00 1.00 H new ATOM 0 HD11 LEU A 50 30.812 10.234 38.044 1.00 1.00 H new ATOM 0 HD12 LEU A 50 30.825 10.894 39.697 1.00 1.00 H new ATOM 0 HD13 LEU A 50 31.883 9.526 39.277 1.00 1.00 H new ATOM 0 HD21 LEU A 50 29.828 7.980 37.606 1.00 1.00 H new ATOM 0 HD22 LEU A 50 30.899 7.273 38.839 1.00 1.00 H new ATOM 0 HD23 LEU A 50 29.139 7.034 38.947 1.00 1.00 H new ATOM 737 N TRP A 51 27.600 8.497 43.157 1.00 1.00 N ATOM 738 CA TRP A 51 27.185 8.673 44.543 1.00 1.00 C ATOM 739 C TRP A 51 27.008 7.317 45.216 1.00 1.00 C ATOM 740 O TRP A 51 27.116 7.200 46.435 1.00 1.00 O ATOM 741 CB TRP A 51 25.872 9.454 44.601 1.00 1.00 C ATOM 742 CG TRP A 51 24.950 8.807 45.585 1.00 1.00 C ATOM 743 CD1 TRP A 51 24.167 7.734 45.329 1.00 1.00 C ATOM 744 CD2 TRP A 51 24.701 9.173 46.974 1.00 1.00 C ATOM 745 NE1 TRP A 51 23.456 7.417 46.471 1.00 1.00 N ATOM 746 CE2 TRP A 51 23.749 8.276 47.512 1.00 1.00 C ATOM 747 CE3 TRP A 51 25.205 10.187 47.810 1.00 1.00 C ATOM 748 CZ2 TRP A 51 23.312 8.379 48.833 1.00 1.00 C ATOM 749 CZ3 TRP A 51 24.767 10.294 49.140 1.00 1.00 C ATOM 750 CH2 TRP A 51 23.822 9.392 49.650 1.00 1.00 C ATOM 0 H TRP A 51 27.072 9.049 42.481 1.00 1.00 H new ATOM 0 HA TRP A 51 27.958 9.232 45.071 1.00 1.00 H new ATOM 0 HB2 TRP A 51 26.064 10.487 44.891 1.00 1.00 H new ATOM 0 HB3 TRP A 51 25.408 9.480 43.615 1.00 1.00 H new ATOM 0 HD1 TRP A 51 24.107 7.211 44.386 1.00 1.00 H new ATOM 0 HE1 TRP A 51 22.795 6.643 46.537 1.00 1.00 H new ATOM 0 HE3 TRP A 51 25.933 10.887 47.426 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 22.585 7.681 49.221 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 25.160 11.075 49.774 1.00 1.00 H new ATOM 0 HH2 TRP A 51 23.488 9.480 50.673 1.00 1.00 H new ATOM 761 N THR A 52 26.738 6.296 44.411 1.00 1.00 N ATOM 762 CA THR A 52 26.551 4.951 44.938 1.00 1.00 C ATOM 763 C THR A 52 27.899 4.329 45.291 1.00 1.00 C ATOM 764 O THR A 52 28.055 3.718 46.348 1.00 1.00 O ATOM 765 CB THR A 52 25.836 4.079 43.902 1.00 1.00 C ATOM 766 OG1 THR A 52 24.434 4.299 43.989 1.00 1.00 O ATOM 767 CG2 THR A 52 26.141 2.604 44.168 1.00 1.00 C ATOM 0 H THR A 52 26.644 6.373 43.398 1.00 1.00 H new ATOM 0 HA THR A 52 25.942 5.011 45.840 1.00 1.00 H new ATOM 0 HB THR A 52 26.186 4.342 42.904 1.00 1.00 H new ATOM 0 HG1 THR A 52 24.265 5.192 44.356 1.00 1.00 H new ATOM 0 HG21 THR A 52 25.630 1.988 43.428 1.00 1.00 H new ATOM 0 HG22 THR A 52 27.216 2.437 44.100 1.00 1.00 H new ATOM 0 HG23 THR A 52 25.795 2.335 45.166 1.00 1.00 H new ATOM 775 N VAL A 53 28.868 4.491 44.397 1.00 1.00 N ATOM 776 CA VAL A 53 30.200 3.942 44.619 1.00 1.00 C ATOM 777 C VAL A 53 31.021 4.876 45.503 1.00 1.00 C ATOM 778 O VAL A 53 31.413 4.513 46.612 1.00 1.00 O ATOM 779 CB VAL A 53 30.912 3.745 43.280 1.00 1.00 C ATOM 780 CG1 VAL A 53 31.870 2.556 43.381 1.00 1.00 C ATOM 781 CG2 VAL A 53 29.874 3.472 42.189 1.00 1.00 C ATOM 0 H VAL A 53 28.757 4.995 43.517 1.00 1.00 H new ATOM 0 HA VAL A 53 30.099 2.980 45.121 1.00 1.00 H new ATOM 0 HB VAL A 53 31.475 4.644 43.031 1.00 1.00 H new ATOM 0 HG11 VAL A 53 32.377 2.416 42.427 1.00 1.00 H new ATOM 0 HG12 VAL A 53 32.608 2.749 44.160 1.00 1.00 H new ATOM 0 HG13 VAL A 53 31.308 1.656 43.629 1.00 1.00 H new ATOM 0 HG21 VAL A 53 30.379 3.331 41.233 1.00 1.00 H new ATOM 0 HG22 VAL A 53 29.312 2.572 42.439 1.00 1.00 H new ATOM 0 HG23 VAL A 53 29.191 4.318 42.117 1.00 1.00 H new ATOM 791 N PHE A 54 31.278 6.079 45.002 1.00 1.00 N ATOM 792 CA PHE A 54 32.055 7.061 45.750 1.00 1.00 C ATOM 793 C PHE A 54 31.673 7.044 47.227 1.00 1.00 C ATOM 794 O PHE A 54 32.514 7.262 48.098 1.00 1.00 O ATOM 795 CB PHE A 54 31.814 8.458 45.176 1.00 1.00 C ATOM 796 CG PHE A 54 32.448 9.489 46.079 1.00 1.00 C ATOM 797 CD1 PHE A 54 33.836 9.677 46.059 1.00 1.00 C ATOM 798 CD2 PHE A 54 31.650 10.256 46.936 1.00 1.00 C ATOM 799 CE1 PHE A 54 34.426 10.631 46.897 1.00 1.00 C ATOM 800 CE2 PHE A 54 32.240 11.211 47.773 1.00 1.00 C ATOM 801 CZ PHE A 54 33.627 11.399 47.754 1.00 1.00 C ATOM 0 H PHE A 54 30.962 6.397 44.086 1.00 1.00 H new ATOM 0 HA PHE A 54 33.110 6.804 45.660 1.00 1.00 H new ATOM 0 HB2 PHE A 54 32.236 8.529 44.173 1.00 1.00 H new ATOM 0 HB3 PHE A 54 30.744 8.646 45.086 1.00 1.00 H new ATOM 0 HD1 PHE A 54 34.451 9.086 45.397 1.00 1.00 H new ATOM 0 HD2 PHE A 54 30.580 10.111 46.952 1.00 1.00 H new ATOM 0 HE1 PHE A 54 35.496 10.775 46.883 1.00 1.00 H new ATOM 0 HE2 PHE A 54 31.624 11.803 48.434 1.00 1.00 H new ATOM 0 HZ PHE A 54 34.081 12.136 48.400 1.00 1.00 H new ATOM 811 N ARG A 55 30.398 6.786 47.502 1.00 1.00 N ATOM 812 CA ARG A 55 29.917 6.746 48.877 1.00 1.00 C ATOM 813 C ARG A 55 30.367 5.463 49.569 1.00 1.00 C ATOM 814 O ARG A 55 30.733 5.476 50.745 1.00 1.00 O ATOM 815 CB ARG A 55 28.390 6.835 48.897 1.00 1.00 C ATOM 816 CG ARG A 55 27.887 6.703 50.333 1.00 1.00 C ATOM 817 CD ARG A 55 27.305 5.305 50.546 1.00 1.00 C ATOM 818 NE ARG A 55 27.187 5.025 51.969 1.00 1.00 N ATOM 819 CZ ARG A 55 26.117 5.404 52.662 1.00 1.00 C ATOM 820 NH1 ARG A 55 25.149 6.045 52.067 1.00 1.00 N ATOM 821 NH2 ARG A 55 26.036 5.135 53.936 1.00 1.00 N ATOM 0 H ARG A 55 29.685 6.603 46.796 1.00 1.00 H new ATOM 0 HA ARG A 55 30.337 7.596 49.414 1.00 1.00 H new ATOM 0 HB2 ARG A 55 28.066 7.786 48.473 1.00 1.00 H new ATOM 0 HB3 ARG A 55 27.962 6.047 48.277 1.00 1.00 H new ATOM 0 HG2 ARG A 55 28.704 6.878 51.033 1.00 1.00 H new ATOM 0 HG3 ARG A 55 27.128 7.459 50.534 1.00 1.00 H new ATOM 0 HD2 ARG A 55 26.327 5.233 50.071 1.00 1.00 H new ATOM 0 HD3 ARG A 55 27.945 4.560 50.072 1.00 1.00 H new ATOM 0 HE ARG A 55 27.940 4.528 52.445 1.00 1.00 H new ATOM 0 HH11 ARG A 55 25.213 6.255 51.071 1.00 1.00 H new ATOM 0 HH12 ARG A 55 24.328 6.336 52.598 1.00 1.00 H new ATOM 0 HH21 ARG A 55 26.793 4.634 54.401 1.00 1.00 H new ATOM 0 HH22 ARG A 55 25.215 5.426 54.467 1.00 1.00 H new ATOM 835 N LYS A 56 30.340 4.355 48.834 1.00 1.00 N ATOM 836 CA LYS A 56 30.750 3.072 49.393 1.00 1.00 C ATOM 837 C LYS A 56 32.083 3.209 50.120 1.00 1.00 C ATOM 838 O LYS A 56 32.143 3.122 51.346 1.00 1.00 O ATOM 839 CB LYS A 56 30.878 2.031 48.279 1.00 1.00 C ATOM 840 CG LYS A 56 30.031 0.803 48.623 1.00 1.00 C ATOM 841 CD LYS A 56 28.548 1.179 48.588 1.00 1.00 C ATOM 842 CE LYS A 56 27.852 0.408 47.465 1.00 1.00 C ATOM 843 NZ LYS A 56 26.406 0.766 47.439 1.00 1.00 N ATOM 0 H LYS A 56 30.041 4.319 47.859 1.00 1.00 H new ATOM 0 HA LYS A 56 29.991 2.748 50.105 1.00 1.00 H new ATOM 0 HB2 LYS A 56 30.551 2.457 47.330 1.00 1.00 H new ATOM 0 HB3 LYS A 56 31.922 1.742 48.156 1.00 1.00 H new ATOM 0 HG2 LYS A 56 30.230 0.000 47.913 1.00 1.00 H new ATOM 0 HG3 LYS A 56 30.299 0.429 49.611 1.00 1.00 H new ATOM 0 HD2 LYS A 56 28.081 0.948 49.545 1.00 1.00 H new ATOM 0 HD3 LYS A 56 28.438 2.252 48.430 1.00 1.00 H new ATOM 0 HE2 LYS A 56 28.314 0.645 46.506 1.00 1.00 H new ATOM 0 HE3 LYS A 56 27.969 -0.665 47.619 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 25.932 0.242 46.676 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 25.971 0.519 48.351 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 26.304 1.788 47.273 1.00 1.00 H new ATOM 857 N LYS A 57 33.149 3.433 49.358 1.00 1.00 N ATOM 858 CA LYS A 57 34.473 3.588 49.948 1.00 1.00 C ATOM 859 C LYS A 57 34.524 4.855 50.796 1.00 1.00 C ATOM 860 O LYS A 57 35.179 5.833 50.437 1.00 1.00 O ATOM 861 CB LYS A 57 35.542 3.652 48.851 1.00 1.00 C ATOM 862 CG LYS A 57 34.955 4.286 47.585 1.00 1.00 C ATOM 863 CD LYS A 57 34.359 3.199 46.684 1.00 1.00 C ATOM 864 CE LYS A 57 35.426 2.701 45.704 1.00 1.00 C ATOM 865 NZ LYS A 57 36.751 2.658 46.383 1.00 1.00 N ATOM 0 H LYS A 57 33.123 3.511 48.341 1.00 1.00 H new ATOM 0 HA LYS A 57 34.673 2.725 50.584 1.00 1.00 H new ATOM 0 HB2 LYS A 57 36.396 4.234 49.197 1.00 1.00 H new ATOM 0 HB3 LYS A 57 35.908 2.650 48.630 1.00 1.00 H new ATOM 0 HG2 LYS A 57 34.186 5.010 47.854 1.00 1.00 H new ATOM 0 HG3 LYS A 57 35.731 4.831 47.047 1.00 1.00 H new ATOM 0 HD2 LYS A 57 33.993 2.371 47.290 1.00 1.00 H new ATOM 0 HD3 LYS A 57 33.504 3.595 46.136 1.00 1.00 H new ATOM 0 HE2 LYS A 57 35.162 1.709 45.337 1.00 1.00 H new ATOM 0 HE3 LYS A 57 35.472 3.359 44.837 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 37.473 2.320 45.715 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 37.004 3.612 46.712 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 36.703 2.013 47.197 1.00 1.00 H new ATOM 879 N GLY A 58 33.820 4.829 51.923 1.00 1.00 N ATOM 880 CA GLY A 58 33.783 5.979 52.817 1.00 1.00 C ATOM 881 C GLY A 58 34.834 5.851 53.915 1.00 1.00 C ATOM 882 O GLY A 58 34.621 6.289 55.046 1.00 1.00 O ATOM 0 H GLY A 58 33.271 4.029 52.237 1.00 1.00 H new ATOM 0 HA2 GLY A 58 33.956 6.892 52.248 1.00 1.00 H new ATOM 0 HA3 GLY A 58 32.793 6.065 53.264 1.00 1.00 H new ATOM 886 N HIS A 59 35.968 5.246 53.574 1.00 1.00 N ATOM 887 CA HIS A 59 37.045 5.065 54.540 1.00 1.00 C ATOM 888 C HIS A 59 38.142 6.101 54.319 1.00 1.00 C ATOM 889 O HIS A 59 38.931 6.387 55.221 1.00 1.00 O ATOM 890 CB HIS A 59 37.634 3.660 54.408 1.00 1.00 C ATOM 891 CG HIS A 59 36.565 2.640 54.687 1.00 1.00 C ATOM 892 ND1 HIS A 59 36.264 2.216 55.971 1.00 1.00 N ATOM 893 CD2 HIS A 59 35.716 1.950 53.856 1.00 1.00 C ATOM 894 CE1 HIS A 59 35.274 1.310 55.878 1.00 1.00 C ATOM 895 NE2 HIS A 59 34.901 1.112 54.611 1.00 1.00 N ATOM 0 H HIS A 59 36.164 4.876 52.644 1.00 1.00 H new ATOM 0 HA HIS A 59 36.635 5.194 55.542 1.00 1.00 H new ATOM 0 HB2 HIS A 59 38.037 3.516 53.405 1.00 1.00 H new ATOM 0 HB3 HIS A 59 38.462 3.534 55.105 1.00 1.00 H new ATOM 0 HD2 HIS A 59 35.686 2.044 52.780 1.00 1.00 H new ATOM 0 HE1 HIS A 59 34.834 0.804 56.725 1.00 1.00 H new ATOM 0 HE2 HIS A 59 34.175 0.482 54.270 1.00 1.00 H new ATOM 903 N HIS A 60 38.187 6.662 53.114 1.00 1.00 N ATOM 904 CA HIS A 60 39.192 7.666 52.787 1.00 1.00 C ATOM 905 C HIS A 60 39.204 8.775 53.835 1.00 1.00 C ATOM 906 O HIS A 60 38.226 8.971 54.555 1.00 1.00 O ATOM 907 CB HIS A 60 38.903 8.266 51.410 1.00 1.00 C ATOM 908 CG HIS A 60 40.061 7.993 50.490 1.00 1.00 C ATOM 909 ND1 HIS A 60 40.471 6.707 50.180 1.00 1.00 N ATOM 910 CD2 HIS A 60 40.905 8.832 49.806 1.00 1.00 C ATOM 911 CE1 HIS A 60 41.519 6.806 49.342 1.00 1.00 C ATOM 912 NE2 HIS A 60 41.825 8.080 49.082 1.00 1.00 N ATOM 0 H HIS A 60 37.544 6.440 52.354 1.00 1.00 H new ATOM 0 HA HIS A 60 40.169 7.183 52.775 1.00 1.00 H new ATOM 0 HB2 HIS A 60 37.989 7.836 50.999 1.00 1.00 H new ATOM 0 HB3 HIS A 60 38.739 9.340 51.497 1.00 1.00 H new ATOM 0 HD2 HIS A 60 40.862 9.911 49.827 1.00 1.00 H new ATOM 0 HE1 HIS A 60 42.048 5.959 48.930 1.00 1.00 H new ATOM 0 HE2 HIS A 60 42.573 8.427 48.481 1.00 1.00 H new ATOM 920 N HIS A 61 40.318 9.495 53.914 1.00 1.00 N ATOM 921 CA HIS A 61 40.446 10.582 54.878 1.00 1.00 C ATOM 922 C HIS A 61 39.410 11.668 54.602 1.00 1.00 C ATOM 923 O HIS A 61 38.824 11.720 53.520 1.00 1.00 O ATOM 924 CB HIS A 61 41.851 11.184 54.803 1.00 1.00 C ATOM 925 CG HIS A 61 42.851 10.185 55.313 1.00 1.00 C ATOM 926 ND1 HIS A 61 43.735 10.482 56.339 1.00 1.00 N ATOM 927 CD2 HIS A 61 43.121 8.889 54.950 1.00 1.00 C ATOM 928 CE1 HIS A 61 44.487 9.387 56.556 1.00 1.00 C ATOM 929 NE2 HIS A 61 44.155 8.387 55.736 1.00 1.00 N ATOM 0 H HIS A 61 41.139 9.347 53.327 1.00 1.00 H new ATOM 0 HA HIS A 61 40.276 10.179 55.876 1.00 1.00 H new ATOM 0 HB2 HIS A 61 42.087 11.458 53.775 1.00 1.00 H new ATOM 0 HB3 HIS A 61 41.899 12.098 55.395 1.00 1.00 H new ATOM 0 HD2 HIS A 61 42.609 8.342 54.172 1.00 1.00 H new ATOM 0 HE1 HIS A 61 45.265 9.325 57.303 1.00 1.00 H new ATOM 0 HE2 HIS A 61 44.569 7.456 55.694 1.00 1.00 H new ATOM 937 N HIS A 62 39.190 12.533 55.587 1.00 1.00 N ATOM 938 CA HIS A 62 38.222 13.613 55.440 1.00 1.00 C ATOM 939 C HIS A 62 38.578 14.492 54.244 1.00 1.00 C ATOM 940 O HIS A 62 39.474 14.164 53.465 1.00 1.00 O ATOM 941 CB HIS A 62 38.192 14.465 56.710 1.00 1.00 C ATOM 942 CG HIS A 62 38.315 13.573 57.914 1.00 1.00 C ATOM 943 ND1 HIS A 62 38.063 12.211 57.854 1.00 1.00 N ATOM 944 CD2 HIS A 62 38.659 13.833 59.218 1.00 1.00 C ATOM 945 CE1 HIS A 62 38.258 11.708 59.086 1.00 1.00 C ATOM 946 NE2 HIS A 62 38.623 12.654 59.956 1.00 1.00 N ATOM 0 H HIS A 62 39.665 12.508 56.489 1.00 1.00 H new ATOM 0 HA HIS A 62 37.238 13.174 55.275 1.00 1.00 H new ATOM 0 HB2 HIS A 62 39.007 15.188 56.695 1.00 1.00 H new ATOM 0 HB3 HIS A 62 37.263 15.033 56.758 1.00 1.00 H new ATOM 0 HD2 HIS A 62 38.918 14.805 59.611 1.00 1.00 H new ATOM 0 HE1 HIS A 62 38.135 10.666 59.341 1.00 1.00 H new ATOM 0 HE2 HIS A 62 38.831 12.537 60.948 1.00 1.00 H new ATOM 954 N HIS A 63 37.871 15.608 54.104 1.00 1.00 N ATOM 955 CA HIS A 63 38.120 16.526 53.001 1.00 1.00 C ATOM 956 C HIS A 63 37.472 17.880 53.273 1.00 1.00 C ATOM 957 O HIS A 63 36.273 17.962 53.537 1.00 1.00 O ATOM 958 CB HIS A 63 37.564 15.942 51.702 1.00 1.00 C ATOM 959 CG HIS A 63 38.683 15.325 50.909 1.00 1.00 C ATOM 960 ND1 HIS A 63 39.777 16.059 50.482 1.00 1.00 N ATOM 961 CD2 HIS A 63 38.890 14.046 50.457 1.00 1.00 C ATOM 962 CE1 HIS A 63 40.588 15.225 49.807 1.00 1.00 C ATOM 963 NE2 HIS A 63 40.094 13.984 49.761 1.00 1.00 N ATOM 0 H HIS A 63 37.125 15.897 54.737 1.00 1.00 H new ATOM 0 HA HIS A 63 39.197 16.666 52.905 1.00 1.00 H new ATOM 0 HB2 HIS A 63 36.805 15.192 51.924 1.00 1.00 H new ATOM 0 HB3 HIS A 63 37.078 16.724 51.118 1.00 1.00 H new ATOM 0 HD2 HIS A 63 38.220 13.214 50.617 1.00 1.00 H new ATOM 0 HE1 HIS A 63 41.524 15.522 49.357 1.00 1.00 H new ATOM 0 HE2 HIS A 63 40.510 13.168 49.313 1.00 1.00 H new ATOM 971 N HIS A 64 38.273 18.938 53.206 1.00 1.00 N ATOM 972 CA HIS A 64 37.766 20.284 53.446 1.00 1.00 C ATOM 973 C HIS A 64 36.635 20.611 52.476 1.00 1.00 C ATOM 974 O HIS A 64 36.510 19.913 51.484 1.00 1.00 O ATOM 975 CB HIS A 64 38.894 21.304 53.281 1.00 1.00 C ATOM 976 CG HIS A 64 39.369 21.299 51.854 1.00 1.00 C ATOM 977 ND1 HIS A 64 38.805 21.778 50.697 1.00 1.00 N flip ATOM 978 CD2 HIS A 64 40.583 20.745 51.482 1.00 1.00 C flip ATOM 979 CE1 HIS A 64 39.654 21.526 49.623 1.00 1.00 C flip ATOM 980 NE2 HIS A 64 40.710 20.900 50.151 1.00 1.00 N flip ATOM 981 OXT HIS A 64 35.909 21.555 52.742 1.00 1.00 O ATOM 0 H HIS A 64 39.269 18.891 52.989 1.00 1.00 H new ATOM 0 HA HIS A 64 37.381 20.331 54.465 1.00 1.00 H new ATOM 0 HB2 HIS A 64 38.542 22.299 53.555 1.00 1.00 H new ATOM 0 HB3 HIS A 64 39.719 21.062 53.951 1.00 1.00 H new ATOM 0 HD2 HIS A 64 41.298 20.274 52.141 1.00 1.00 H new ATOM 0 HE1 HIS A 64 39.494 21.781 48.586 1.00 1.00 H new ATOM 0 HE2 HIS A 64 41.514 20.579 49.611 1.00 1.00 H new TER 989 HIS A 64