USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=18 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+ 157:sc= -0.158 (180deg=-1.26) USER MOD Single : A 9 ASN : amide:sc= -1.1 K(o=-1.1,f=-5.8!) 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 X(o=0,f=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.199 F(o=-4.3!,f=-0.2) USER MOD Single : A 17 SER OG : rot -35:sc= 0.61 USER MOD Single : A 19 CYS SG : rot 15:sc= 0.0542 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 180:sc= 0 USER MOD Single : A 27 SER OG : rot 149:sc= 0.228 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 180:sc= -0.334 USER MOD Single : A 44 THR OG1 : rot -170:sc= -0.363 USER MOD Single : A 46 ASN :FLIP amide:sc= -1.38 F(o=-2.5!,f=-1.4) USER MOD Single : A 52 THR OG1 : rot 75:sc= 0.586 USER MOD Single : A 56 LYS NZ :NH3+ 144:sc= -0.184 (180deg=-1.06) USER MOD Single : A 57 LYS NZ :NH3+ -178:sc= -3.1! (180deg=-3.19!) USER MOD Single : A 59 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.37) USER MOD Single : A 60 HIS : no HD1:sc= -0.91 K(o=-0.91,f=-5.6!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.00062) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 63 HIS : no HE2:sc= -0.0147 X(o=-0.015,f=-0.45) USER MOD Single : A 64 HIS : no HD1:sc= -0.0854 K(o=-0.085,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.448 8.792 -24.573 1.00 1.00 N ATOM 2 CA MET A 1 32.551 7.999 -23.963 1.00 1.00 C ATOM 3 C MET A 1 32.774 8.459 -22.526 1.00 1.00 C ATOM 4 O MET A 1 32.767 9.657 -22.241 1.00 1.00 O ATOM 5 CB MET A 1 33.830 8.198 -24.780 1.00 1.00 C ATOM 6 CG MET A 1 33.906 9.646 -25.264 1.00 1.00 C ATOM 7 SD MET A 1 35.639 10.115 -25.497 1.00 1.00 S ATOM 8 CE MET A 1 35.658 10.020 -27.304 1.00 1.00 C ATOM 0 H1 MET A 1 31.542 8.777 -25.609 1.00 1.00 H new ATOM 0 H2 MET A 1 30.533 8.379 -24.302 1.00 1.00 H new ATOM 0 H3 MET A 1 31.498 9.774 -24.235 1.00 1.00 H new ATOM 0 HA MET A 1 32.287 6.942 -23.962 1.00 1.00 H new ATOM 0 HB2 MET A 1 34.703 7.960 -24.172 1.00 1.00 H new ATOM 0 HB3 MET A 1 33.840 7.518 -25.632 1.00 1.00 H new ATOM 0 HG2 MET A 1 33.359 9.757 -26.200 1.00 1.00 H new ATOM 0 HG3 MET A 1 33.433 10.308 -24.539 1.00 1.00 H new ATOM 0 HE1 MET A 1 36.652 10.276 -27.671 1.00 1.00 H new ATOM 0 HE2 MET A 1 35.405 9.007 -27.618 1.00 1.00 H new ATOM 0 HE3 MET A 1 34.929 10.719 -27.713 1.00 1.00 H new ATOM 20 N GLU A 2 32.970 7.502 -21.626 1.00 1.00 N ATOM 21 CA GLU A 2 33.194 7.822 -20.222 1.00 1.00 C ATOM 22 C GLU A 2 34.643 8.238 -19.991 1.00 1.00 C ATOM 23 O GLU A 2 35.369 8.544 -20.938 1.00 1.00 O ATOM 24 CB GLU A 2 32.865 6.608 -19.351 1.00 1.00 C ATOM 25 CG GLU A 2 32.084 7.061 -18.116 1.00 1.00 C ATOM 26 CD GLU A 2 30.654 7.419 -18.507 1.00 1.00 C ATOM 27 OE1 GLU A 2 30.120 6.767 -19.389 1.00 1.00 O ATOM 28 OE2 GLU A 2 30.113 8.341 -17.919 1.00 1.00 O ATOM 0 H GLU A 2 32.978 6.505 -21.842 1.00 1.00 H new ATOM 0 HA GLU A 2 32.542 8.652 -19.950 1.00 1.00 H new ATOM 0 HB2 GLU A 2 32.279 5.887 -19.921 1.00 1.00 H new ATOM 0 HB3 GLU A 2 33.783 6.105 -19.049 1.00 1.00 H new ATOM 0 HG2 GLU A 2 32.078 6.268 -17.368 1.00 1.00 H new ATOM 0 HG3 GLU A 2 32.573 7.923 -17.662 1.00 1.00 H new ATOM 35 N GLU A 3 35.057 8.247 -18.728 1.00 1.00 N ATOM 36 CA GLU A 3 36.422 8.627 -18.384 1.00 1.00 C ATOM 37 C GLU A 3 36.687 8.389 -16.901 1.00 1.00 C ATOM 38 O GLU A 3 35.771 8.449 -16.080 1.00 1.00 O ATOM 39 CB GLU A 3 36.655 10.103 -18.716 1.00 1.00 C ATOM 40 CG GLU A 3 38.153 10.357 -18.892 1.00 1.00 C ATOM 41 CD GLU A 3 38.399 11.829 -19.202 1.00 1.00 C ATOM 42 OE1 GLU A 3 37.652 12.653 -18.700 1.00 1.00 O ATOM 43 OE2 GLU A 3 39.330 12.112 -19.938 1.00 1.00 O ATOM 0 H GLU A 3 34.471 7.997 -17.931 1.00 1.00 H new ATOM 0 HA GLU A 3 37.107 8.012 -18.967 1.00 1.00 H new ATOM 0 HB2 GLU A 3 36.121 10.370 -19.628 1.00 1.00 H new ATOM 0 HB3 GLU A 3 36.260 10.733 -17.919 1.00 1.00 H new ATOM 0 HG2 GLU A 3 38.687 10.074 -17.985 1.00 1.00 H new ATOM 0 HG3 GLU A 3 38.543 9.737 -19.699 1.00 1.00 H new ATOM 50 N GLY A 4 37.944 8.120 -16.564 1.00 1.00 N ATOM 51 CA GLY A 4 38.317 7.875 -15.177 1.00 1.00 C ATOM 52 C GLY A 4 39.582 7.027 -15.094 1.00 1.00 C ATOM 53 O GLY A 4 39.658 5.949 -15.684 1.00 1.00 O ATOM 0 H GLY A 4 38.717 8.066 -17.228 1.00 1.00 H new ATOM 0 HA2 GLY A 4 38.477 8.825 -14.666 1.00 1.00 H new ATOM 0 HA3 GLY A 4 37.501 7.369 -14.661 1.00 1.00 H new ATOM 57 N GLY A 5 40.573 7.520 -14.359 1.00 1.00 N ATOM 58 CA GLY A 5 41.830 6.799 -14.206 1.00 1.00 C ATOM 59 C GLY A 5 42.825 7.607 -13.380 1.00 1.00 C ATOM 60 O GLY A 5 43.945 7.869 -13.821 1.00 1.00 O ATOM 0 H GLY A 5 40.531 8.410 -13.863 1.00 1.00 H new ATOM 0 HA2 GLY A 5 41.646 5.839 -13.724 1.00 1.00 H new ATOM 0 HA3 GLY A 5 42.254 6.587 -15.188 1.00 1.00 H new ATOM 64 N ASP A 6 42.409 8.001 -12.181 1.00 1.00 N ATOM 65 CA ASP A 6 43.273 8.780 -11.302 1.00 1.00 C ATOM 66 C ASP A 6 43.005 8.432 -9.841 1.00 1.00 C ATOM 67 O ASP A 6 42.901 9.316 -8.991 1.00 1.00 O ATOM 68 CB ASP A 6 43.035 10.274 -11.524 1.00 1.00 C ATOM 69 CG ASP A 6 43.394 10.653 -12.957 1.00 1.00 C ATOM 70 OD1 ASP A 6 44.555 10.939 -13.199 1.00 1.00 O ATOM 71 OD2 ASP A 6 42.505 10.650 -13.791 1.00 1.00 O ATOM 0 H ASP A 6 41.486 7.796 -11.798 1.00 1.00 H new ATOM 0 HA ASP A 6 44.310 8.539 -11.537 1.00 1.00 H new ATOM 0 HB2 ASP A 6 41.991 10.518 -11.325 1.00 1.00 H new ATOM 0 HB3 ASP A 6 43.636 10.854 -10.824 1.00 1.00 H new ATOM 76 N PHE A 7 42.896 7.138 -9.557 1.00 1.00 N ATOM 77 CA PHE A 7 42.640 6.684 -8.195 1.00 1.00 C ATOM 78 C PHE A 7 43.935 6.233 -7.528 1.00 1.00 C ATOM 79 O PHE A 7 45.025 6.442 -8.061 1.00 1.00 O ATOM 80 CB PHE A 7 41.641 5.525 -8.210 1.00 1.00 C ATOM 81 CG PHE A 7 40.358 5.974 -8.866 1.00 1.00 C ATOM 82 CD1 PHE A 7 39.436 6.744 -8.148 1.00 1.00 C ATOM 83 CD2 PHE A 7 40.090 5.619 -10.194 1.00 1.00 C ATOM 84 CE1 PHE A 7 38.246 7.160 -8.756 1.00 1.00 C ATOM 85 CE2 PHE A 7 38.900 6.036 -10.803 1.00 1.00 C ATOM 86 CZ PHE A 7 37.978 6.805 -10.085 1.00 1.00 C ATOM 0 H PHE A 7 42.980 6.391 -10.246 1.00 1.00 H new ATOM 0 HA PHE A 7 42.223 7.516 -7.627 1.00 1.00 H new ATOM 0 HB2 PHE A 7 42.060 4.676 -8.750 1.00 1.00 H new ATOM 0 HB3 PHE A 7 41.443 5.188 -7.192 1.00 1.00 H new ATOM 0 HD1 PHE A 7 39.643 7.017 -7.124 1.00 1.00 H new ATOM 0 HD2 PHE A 7 40.801 5.024 -10.748 1.00 1.00 H new ATOM 0 HE1 PHE A 7 37.535 7.754 -8.201 1.00 1.00 H new ATOM 0 HE2 PHE A 7 38.694 5.764 -11.828 1.00 1.00 H new ATOM 0 HZ PHE A 7 37.060 7.125 -10.555 1.00 1.00 H new ATOM 96 N ASP A 8 43.809 5.615 -6.359 1.00 1.00 N ATOM 97 CA ASP A 8 44.977 5.138 -5.627 1.00 1.00 C ATOM 98 C ASP A 8 45.549 3.888 -6.287 1.00 1.00 C ATOM 99 O ASP A 8 46.327 3.153 -5.678 1.00 1.00 O ATOM 100 CB ASP A 8 44.596 4.826 -4.180 1.00 1.00 C ATOM 101 CG ASP A 8 44.048 6.078 -3.503 1.00 1.00 C ATOM 102 OD1 ASP A 8 43.276 6.780 -4.136 1.00 1.00 O ATOM 103 OD2 ASP A 8 44.409 6.318 -2.363 1.00 1.00 O ATOM 0 H ASP A 8 42.916 5.433 -5.900 1.00 1.00 H new ATOM 0 HA ASP A 8 45.735 5.921 -5.641 1.00 1.00 H new ATOM 0 HB2 ASP A 8 43.849 4.033 -4.155 1.00 1.00 H new ATOM 0 HB3 ASP A 8 45.467 4.461 -3.637 1.00 1.00 H new ATOM 108 N ASN A 9 45.157 3.651 -7.535 1.00 1.00 N ATOM 109 CA ASN A 9 45.636 2.485 -8.267 1.00 1.00 C ATOM 110 C ASN A 9 47.161 2.446 -8.272 1.00 1.00 C ATOM 111 O ASN A 9 47.816 3.357 -7.764 1.00 1.00 O ATOM 112 CB ASN A 9 45.120 2.523 -9.707 1.00 1.00 C ATOM 113 CG ASN A 9 45.545 3.824 -10.379 1.00 1.00 C ATOM 114 OD1 ASN A 9 46.116 4.701 -9.732 1.00 1.00 O ATOM 115 ND2 ASN A 9 45.300 4.001 -11.648 1.00 1.00 N ATOM 0 H ASN A 9 44.514 4.246 -8.057 1.00 1.00 H new ATOM 0 HA ASN A 9 45.262 1.589 -7.771 1.00 1.00 H new ATOM 0 HB2 ASN A 9 45.510 1.672 -10.265 1.00 1.00 H new ATOM 0 HB3 ASN A 9 44.033 2.438 -9.715 1.00 1.00 H new ATOM 0 HD21 ASN A 9 45.582 4.868 -12.106 1.00 1.00 H new ATOM 0 HD22 ASN A 9 44.827 3.273 -12.182 1.00 1.00 H new ATOM 122 N TYR A 10 47.719 1.386 -8.846 1.00 1.00 N ATOM 123 CA TYR A 10 49.168 1.236 -8.911 1.00 1.00 C ATOM 124 C TYR A 10 49.806 1.660 -7.594 1.00 1.00 C ATOM 125 O TYR A 10 50.921 2.181 -7.569 1.00 1.00 O ATOM 126 CB TYR A 10 49.734 2.082 -10.053 1.00 1.00 C ATOM 127 CG TYR A 10 51.051 1.500 -10.507 1.00 1.00 C ATOM 128 CD1 TYR A 10 51.072 0.327 -11.271 1.00 1.00 C ATOM 129 CD2 TYR A 10 52.251 2.135 -10.165 1.00 1.00 C ATOM 130 CE1 TYR A 10 52.295 -0.211 -11.693 1.00 1.00 C ATOM 131 CE2 TYR A 10 53.472 1.596 -10.586 1.00 1.00 C ATOM 132 CZ TYR A 10 53.495 0.423 -11.350 1.00 1.00 C ATOM 133 OH TYR A 10 54.699 -0.107 -11.766 1.00 1.00 O ATOM 0 H TYR A 10 47.194 0.622 -9.271 1.00 1.00 H new ATOM 0 HA TYR A 10 49.398 0.186 -9.094 1.00 1.00 H new ATOM 0 HB2 TYR A 10 49.030 2.107 -10.884 1.00 1.00 H new ATOM 0 HB3 TYR A 10 49.874 3.111 -9.722 1.00 1.00 H new ATOM 0 HD1 TYR A 10 50.146 -0.163 -11.535 1.00 1.00 H new ATOM 0 HD2 TYR A 10 52.234 3.040 -9.577 1.00 1.00 H new ATOM 0 HE1 TYR A 10 52.312 -1.115 -12.283 1.00 1.00 H new ATOM 0 HE2 TYR A 10 54.398 2.085 -10.321 1.00 1.00 H new ATOM 0 HH TYR A 10 55.433 0.456 -11.443 1.00 1.00 H new ATOM 143 N TYR A 11 49.087 1.429 -6.503 1.00 1.00 N ATOM 144 CA TYR A 11 49.580 1.786 -5.177 1.00 1.00 C ATOM 145 C TYR A 11 48.624 1.283 -4.102 1.00 1.00 C ATOM 146 O TYR A 11 48.365 1.970 -3.114 1.00 1.00 O ATOM 147 CB TYR A 11 49.726 3.305 -5.059 1.00 1.00 C ATOM 148 CG TYR A 11 50.733 3.630 -3.982 1.00 1.00 C ATOM 149 CD1 TYR A 11 52.099 3.432 -4.216 1.00 1.00 C ATOM 150 CD2 TYR A 11 50.300 4.132 -2.748 1.00 1.00 C ATOM 151 CE1 TYR A 11 53.032 3.735 -3.218 1.00 1.00 C ATOM 152 CE2 TYR A 11 51.234 4.434 -1.749 1.00 1.00 C ATOM 153 CZ TYR A 11 52.600 4.235 -1.984 1.00 1.00 C ATOM 154 OH TYR A 11 53.519 4.533 -1.000 1.00 1.00 O ATOM 0 H TYR A 11 48.163 0.997 -6.509 1.00 1.00 H new ATOM 0 HA TYR A 11 50.554 1.318 -5.035 1.00 1.00 H new ATOM 0 HB2 TYR A 11 50.048 3.726 -6.012 1.00 1.00 H new ATOM 0 HB3 TYR A 11 48.763 3.756 -4.820 1.00 1.00 H new ATOM 0 HD1 TYR A 11 52.433 3.045 -5.167 1.00 1.00 H new ATOM 0 HD2 TYR A 11 49.246 4.286 -2.567 1.00 1.00 H new ATOM 0 HE1 TYR A 11 54.086 3.583 -3.400 1.00 1.00 H new ATOM 0 HE2 TYR A 11 50.901 4.820 -0.797 1.00 1.00 H new ATOM 0 HH TYR A 11 53.052 4.871 -0.207 1.00 1.00 H new ATOM 164 N GLY A 12 48.101 0.078 -4.304 1.00 1.00 N ATOM 165 CA GLY A 12 47.170 -0.510 -3.347 1.00 1.00 C ATOM 166 C GLY A 12 46.212 -1.470 -4.041 1.00 1.00 C ATOM 167 O GLY A 12 45.077 -1.656 -3.600 1.00 1.00 O ATOM 0 H GLY A 12 48.304 -0.507 -5.115 1.00 1.00 H new ATOM 0 HA2 GLY A 12 47.725 -1.040 -2.572 1.00 1.00 H new ATOM 0 HA3 GLY A 12 46.605 0.279 -2.851 1.00 1.00 H new ATOM 171 N ALA A 13 46.678 -2.077 -5.130 1.00 1.00 N ATOM 172 CA ALA A 13 45.859 -3.019 -5.886 1.00 1.00 C ATOM 173 C ALA A 13 46.597 -4.342 -6.073 1.00 1.00 C ATOM 174 O ALA A 13 45.977 -5.397 -6.200 1.00 1.00 O ATOM 175 CB ALA A 13 45.514 -2.429 -7.255 1.00 1.00 C ATOM 0 H ALA A 13 47.615 -1.934 -5.507 1.00 1.00 H new ATOM 0 HA ALA A 13 44.942 -3.203 -5.327 1.00 1.00 H new ATOM 0 HB1 ALA A 13 44.903 -3.138 -7.813 1.00 1.00 H new ATOM 0 HB2 ALA A 13 44.961 -1.499 -7.122 1.00 1.00 H new ATOM 0 HB3 ALA A 13 46.432 -2.229 -7.807 1.00 1.00 H new ATOM 181 N ASP A 14 47.924 -4.277 -6.086 1.00 1.00 N ATOM 182 CA ASP A 14 48.736 -5.476 -6.257 1.00 1.00 C ATOM 183 C ASP A 14 49.158 -6.035 -4.902 1.00 1.00 C ATOM 184 O ASP A 14 49.361 -7.240 -4.752 1.00 1.00 O ATOM 185 CB ASP A 14 49.980 -5.152 -7.087 1.00 1.00 C ATOM 186 CG ASP A 14 49.627 -5.132 -8.570 1.00 1.00 C ATOM 187 OD1 ASP A 14 48.723 -4.398 -8.934 1.00 1.00 O ATOM 188 OD2 ASP A 14 50.267 -5.850 -9.320 1.00 1.00 O ATOM 0 H ASP A 14 48.457 -3.414 -5.981 1.00 1.00 H new ATOM 0 HA ASP A 14 48.138 -6.225 -6.777 1.00 1.00 H new ATOM 0 HB2 ASP A 14 50.385 -4.185 -6.788 1.00 1.00 H new ATOM 0 HB3 ASP A 14 50.756 -5.894 -6.899 1.00 1.00 H new ATOM 193 N ASN A 15 49.285 -5.152 -3.917 1.00 1.00 N ATOM 194 CA ASN A 15 49.683 -5.568 -2.578 1.00 1.00 C ATOM 195 C ASN A 15 48.825 -6.738 -2.104 1.00 1.00 C ATOM 196 O ASN A 15 49.270 -7.564 -1.307 1.00 1.00 O ATOM 197 CB ASN A 15 49.538 -4.399 -1.603 1.00 1.00 C ATOM 198 CG ASN A 15 50.701 -3.428 -1.774 1.00 1.00 C ATOM 199 OD1 ASN A 15 51.800 -3.683 -1.282 1.00 1.00 O ATOM 200 ND2 ASN A 15 50.523 -2.324 -2.446 1.00 1.00 N ATOM 0 H ASN A 15 49.119 -4.151 -4.020 1.00 1.00 H new ATOM 0 HA ASN A 15 50.725 -5.886 -2.611 1.00 1.00 H new ATOM 0 HB2 ASN A 15 48.594 -3.883 -1.779 1.00 1.00 H new ATOM 0 HB3 ASN A 15 49.512 -4.771 -0.579 1.00 1.00 H new ATOM 0 HD21 ASN A 15 51.296 -1.669 -2.565 1.00 1.00 H new ATOM 0 HD22 ASN A 15 49.611 -2.116 -2.852 1.00 1.00 H new ATOM 207 N GLN A 16 47.593 -6.800 -2.599 1.00 1.00 N ATOM 208 CA GLN A 16 46.681 -7.872 -2.219 1.00 1.00 C ATOM 209 C GLN A 16 46.801 -9.045 -3.185 1.00 1.00 C ATOM 210 O GLN A 16 46.536 -10.191 -2.821 1.00 1.00 O ATOM 211 CB GLN A 16 45.240 -7.355 -2.217 1.00 1.00 C ATOM 212 CG GLN A 16 44.960 -6.617 -3.528 1.00 1.00 C ATOM 213 CD GLN A 16 44.873 -5.117 -3.273 1.00 1.00 C ATOM 214 OE1 GLN A 16 45.920 -4.478 -2.827 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 43.823 -4.510 -3.485 1.00 1.00 N flip ATOM 0 H GLN A 16 47.206 -6.126 -3.259 1.00 1.00 H new ATOM 0 HA GLN A 16 46.947 -8.212 -1.218 1.00 1.00 H new ATOM 0 HB2 GLN A 16 44.545 -8.186 -2.100 1.00 1.00 H new ATOM 0 HB3 GLN A 16 45.084 -6.686 -1.370 1.00 1.00 H new ATOM 0 HG2 GLN A 16 45.750 -6.826 -4.249 1.00 1.00 H new ATOM 0 HG3 GLN A 16 44.027 -6.975 -3.964 1.00 1.00 H new ATOM 0 HE21 GLN A 16 43.006 -5.011 -3.834 1.00 1.00 H new ATOM 0 HE22 GLN A 16 43.770 -3.506 -3.312 1.00 1.00 H new ATOM 224 N SER A 17 47.203 -8.753 -4.417 1.00 1.00 N ATOM 225 CA SER A 17 47.354 -9.794 -5.428 1.00 1.00 C ATOM 226 C SER A 17 48.604 -10.624 -5.159 1.00 1.00 C ATOM 227 O SER A 17 48.625 -11.830 -5.405 1.00 1.00 O ATOM 228 CB SER A 17 47.448 -9.163 -6.817 1.00 1.00 C ATOM 229 OG SER A 17 48.702 -8.510 -6.952 1.00 1.00 O ATOM 0 H SER A 17 47.429 -7.812 -4.739 1.00 1.00 H new ATOM 0 HA SER A 17 46.482 -10.446 -5.384 1.00 1.00 H new ATOM 0 HB2 SER A 17 47.339 -9.929 -7.585 1.00 1.00 H new ATOM 0 HB3 SER A 17 46.636 -8.450 -6.961 1.00 1.00 H new ATOM 0 HG SER A 17 48.965 -8.126 -6.090 1.00 1.00 H new ATOM 235 N GLU A 18 49.645 -9.972 -4.653 1.00 1.00 N ATOM 236 CA GLU A 18 50.895 -10.660 -4.354 1.00 1.00 C ATOM 237 C GLU A 18 50.662 -11.783 -3.349 1.00 1.00 C ATOM 238 O GLU A 18 50.619 -12.958 -3.713 1.00 1.00 O ATOM 239 CB GLU A 18 51.914 -9.670 -3.786 1.00 1.00 C ATOM 240 CG GLU A 18 52.782 -9.123 -4.920 1.00 1.00 C ATOM 241 CD GLU A 18 53.716 -8.042 -4.387 1.00 1.00 C ATOM 242 OE1 GLU A 18 53.499 -7.597 -3.273 1.00 1.00 O ATOM 243 OE2 GLU A 18 54.634 -7.676 -5.101 1.00 1.00 O ATOM 0 H GLU A 18 49.649 -8.974 -4.442 1.00 1.00 H new ATOM 0 HA GLU A 18 51.281 -11.089 -5.279 1.00 1.00 H new ATOM 0 HB2 GLU A 18 51.400 -8.852 -3.281 1.00 1.00 H new ATOM 0 HB3 GLU A 18 52.539 -10.162 -3.041 1.00 1.00 H new ATOM 0 HG2 GLU A 18 53.363 -9.930 -5.366 1.00 1.00 H new ATOM 0 HG3 GLU A 18 52.150 -8.713 -5.708 1.00 1.00 H new ATOM 250 N CYS A 19 50.511 -11.410 -2.083 1.00 1.00 N ATOM 251 CA CYS A 19 50.281 -12.392 -1.027 1.00 1.00 C ATOM 252 C CYS A 19 49.270 -13.441 -1.477 1.00 1.00 C ATOM 253 O CYS A 19 49.293 -14.579 -1.010 1.00 1.00 O ATOM 254 CB CYS A 19 49.763 -11.690 0.228 1.00 1.00 C ATOM 255 SG CYS A 19 50.945 -10.420 0.743 1.00 1.00 S ATOM 0 H CYS A 19 50.543 -10.442 -1.763 1.00 1.00 H new ATOM 0 HA CYS A 19 51.226 -12.889 -0.806 1.00 1.00 H new ATOM 0 HB2 CYS A 19 48.791 -11.238 0.029 1.00 1.00 H new ATOM 0 HB3 CYS A 19 49.620 -12.415 1.030 1.00 1.00 H new ATOM 0 HG CYS A 19 51.780 -10.186 -0.225 1.00 1.00 H new ATOM 261 N GLU A 20 48.381 -13.048 -2.383 1.00 1.00 N ATOM 262 CA GLU A 20 47.363 -13.964 -2.886 1.00 1.00 C ATOM 263 C GLU A 20 47.900 -14.766 -4.068 1.00 1.00 C ATOM 264 O GLU A 20 47.483 -15.899 -4.303 1.00 1.00 O ATOM 265 CB GLU A 20 46.125 -13.177 -3.320 1.00 1.00 C ATOM 266 CG GLU A 20 45.008 -14.148 -3.708 1.00 1.00 C ATOM 267 CD GLU A 20 43.795 -13.936 -2.808 1.00 1.00 C ATOM 268 OE1 GLU A 20 43.373 -12.799 -2.674 1.00 1.00 O ATOM 269 OE2 GLU A 20 43.307 -14.914 -2.265 1.00 1.00 O ATOM 0 H GLU A 20 48.344 -12.110 -2.781 1.00 1.00 H new ATOM 0 HA GLU A 20 47.094 -14.655 -2.087 1.00 1.00 H new ATOM 0 HB2 GLU A 20 45.792 -12.529 -2.510 1.00 1.00 H new ATOM 0 HB3 GLU A 20 46.369 -12.532 -4.164 1.00 1.00 H new ATOM 0 HG2 GLU A 20 44.728 -13.996 -4.750 1.00 1.00 H new ATOM 0 HG3 GLU A 20 45.361 -15.175 -3.620 1.00 1.00 H new ATOM 276 N TYR A 21 48.827 -14.167 -4.808 1.00 1.00 N ATOM 277 CA TYR A 21 49.415 -14.831 -5.964 1.00 1.00 C ATOM 278 C TYR A 21 50.266 -16.020 -5.528 1.00 1.00 C ATOM 279 O TYR A 21 50.324 -17.039 -6.216 1.00 1.00 O ATOM 280 CB TYR A 21 50.279 -13.841 -6.747 1.00 1.00 C ATOM 281 CG TYR A 21 51.209 -14.599 -7.664 1.00 1.00 C ATOM 282 CD1 TYR A 21 52.437 -15.070 -7.184 1.00 1.00 C ATOM 283 CD2 TYR A 21 50.843 -14.831 -8.995 1.00 1.00 C ATOM 284 CE1 TYR A 21 53.299 -15.772 -8.034 1.00 1.00 C ATOM 285 CE2 TYR A 21 51.705 -15.534 -9.846 1.00 1.00 C ATOM 286 CZ TYR A 21 52.933 -16.004 -9.365 1.00 1.00 C ATOM 287 OH TYR A 21 53.783 -16.696 -10.204 1.00 1.00 O ATOM 0 H TYR A 21 49.185 -13.229 -4.629 1.00 1.00 H new ATOM 0 HA TYR A 21 48.608 -15.194 -6.601 1.00 1.00 H new ATOM 0 HB2 TYR A 21 49.646 -13.170 -7.328 1.00 1.00 H new ATOM 0 HB3 TYR A 21 50.855 -13.221 -6.059 1.00 1.00 H new ATOM 0 HD1 TYR A 21 52.719 -14.891 -6.157 1.00 1.00 H new ATOM 0 HD2 TYR A 21 49.896 -14.468 -9.366 1.00 1.00 H new ATOM 0 HE1 TYR A 21 54.246 -16.135 -7.663 1.00 1.00 H new ATOM 0 HE2 TYR A 21 51.423 -15.713 -10.873 1.00 1.00 H new ATOM 0 HH TYR A 21 53.377 -16.770 -11.093 1.00 1.00 H new ATOM 297 N THR A 22 50.926 -15.881 -4.383 1.00 1.00 N ATOM 298 CA THR A 22 51.773 -16.950 -3.866 1.00 1.00 C ATOM 299 C THR A 22 50.926 -18.032 -3.203 1.00 1.00 C ATOM 300 O THR A 22 51.405 -19.135 -2.940 1.00 1.00 O ATOM 301 CB THR A 22 52.770 -16.384 -2.852 1.00 1.00 C ATOM 302 OG1 THR A 22 53.914 -17.226 -2.796 1.00 1.00 O ATOM 303 CG2 THR A 22 52.115 -16.317 -1.472 1.00 1.00 C ATOM 0 H THR A 22 50.892 -15.045 -3.799 1.00 1.00 H new ATOM 0 HA THR A 22 52.317 -17.392 -4.700 1.00 1.00 H new ATOM 0 HB THR A 22 53.070 -15.382 -3.157 1.00 1.00 H new ATOM 0 HG1 THR A 22 54.555 -16.865 -2.148 1.00 1.00 H new ATOM 0 HG21 THR A 22 52.826 -15.914 -0.751 1.00 1.00 H new ATOM 0 HG22 THR A 22 51.238 -15.671 -1.517 1.00 1.00 H new ATOM 0 HG23 THR A 22 51.813 -17.318 -1.163 1.00 1.00 H new ATOM 311 N ASP A 23 49.665 -17.709 -2.937 1.00 1.00 N ATOM 312 CA ASP A 23 48.759 -18.662 -2.305 1.00 1.00 C ATOM 313 C ASP A 23 47.877 -19.336 -3.351 1.00 1.00 C ATOM 314 O ASP A 23 47.812 -20.563 -3.423 1.00 1.00 O ATOM 315 CB ASP A 23 47.881 -17.945 -1.278 1.00 1.00 C ATOM 316 CG ASP A 23 47.905 -18.703 0.047 1.00 1.00 C ATOM 317 OD1 ASP A 23 48.812 -18.465 0.826 1.00 1.00 O ATOM 318 OD2 ASP A 23 47.014 -19.508 0.260 1.00 1.00 O ATOM 0 H ASP A 23 49.249 -16.802 -3.147 1.00 1.00 H new ATOM 0 HA ASP A 23 49.355 -19.425 -1.803 1.00 1.00 H new ATOM 0 HB2 ASP A 23 48.238 -16.926 -1.130 1.00 1.00 H new ATOM 0 HB3 ASP A 23 46.858 -17.874 -1.648 1.00 1.00 H new ATOM 323 N TRP A 24 47.201 -18.525 -4.157 1.00 1.00 N ATOM 324 CA TRP A 24 46.324 -19.054 -5.196 1.00 1.00 C ATOM 325 C TRP A 24 47.007 -20.194 -5.944 1.00 1.00 C ATOM 326 O TRP A 24 46.397 -21.233 -6.203 1.00 1.00 O ATOM 327 CB TRP A 24 45.956 -17.944 -6.182 1.00 1.00 C ATOM 328 CG TRP A 24 45.909 -18.504 -7.568 1.00 1.00 C ATOM 329 CD1 TRP A 24 44.870 -19.190 -8.093 1.00 1.00 C ATOM 330 CD2 TRP A 24 46.925 -18.437 -8.610 1.00 1.00 C ATOM 331 NE1 TRP A 24 45.183 -19.550 -9.392 1.00 1.00 N ATOM 332 CE2 TRP A 24 46.440 -19.108 -9.756 1.00 1.00 C ATOM 333 CE3 TRP A 24 48.209 -17.865 -8.670 1.00 1.00 C ATOM 334 CZ2 TRP A 24 47.200 -19.209 -10.922 1.00 1.00 C ATOM 335 CZ3 TRP A 24 48.977 -17.965 -9.842 1.00 1.00 C ATOM 336 CH2 TRP A 24 48.474 -18.635 -10.966 1.00 1.00 C ATOM 0 H TRP A 24 47.242 -17.507 -4.112 1.00 1.00 H new ATOM 0 HA TRP A 24 45.419 -19.435 -4.723 1.00 1.00 H new ATOM 0 HB2 TRP A 24 44.989 -17.515 -5.919 1.00 1.00 H new ATOM 0 HB3 TRP A 24 46.688 -17.138 -6.129 1.00 1.00 H new ATOM 0 HD1 TRP A 24 43.946 -19.420 -7.582 1.00 1.00 H new ATOM 0 HE1 TRP A 24 44.562 -20.077 -10.006 1.00 1.00 H new ATOM 0 HE3 TRP A 24 48.606 -17.346 -7.810 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 46.807 -19.727 -11.784 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 49.962 -17.523 -9.877 1.00 1.00 H new ATOM 0 HH2 TRP A 24 49.069 -18.708 -11.864 1.00 1.00 H new ATOM 347 N LYS A 25 48.274 -19.994 -6.289 1.00 1.00 N ATOM 348 CA LYS A 25 49.030 -21.014 -7.008 1.00 1.00 C ATOM 349 C LYS A 25 48.855 -22.376 -6.346 1.00 1.00 C ATOM 350 O LYS A 25 48.901 -23.411 -7.011 1.00 1.00 O ATOM 351 CB LYS A 25 50.515 -20.644 -7.033 1.00 1.00 C ATOM 352 CG LYS A 25 51.244 -21.523 -8.051 1.00 1.00 C ATOM 353 CD LYS A 25 52.710 -21.097 -8.136 1.00 1.00 C ATOM 354 CE LYS A 25 53.383 -21.815 -9.306 1.00 1.00 C ATOM 355 NZ LYS A 25 54.864 -21.731 -9.157 1.00 1.00 N ATOM 0 H LYS A 25 48.796 -19.142 -6.085 1.00 1.00 H new ATOM 0 HA LYS A 25 48.652 -21.067 -8.029 1.00 1.00 H new ATOM 0 HB2 LYS A 25 50.634 -19.592 -7.294 1.00 1.00 H new ATOM 0 HB3 LYS A 25 50.951 -20.778 -6.043 1.00 1.00 H new ATOM 0 HG2 LYS A 25 51.175 -22.571 -7.758 1.00 1.00 H new ATOM 0 HG3 LYS A 25 50.771 -21.434 -9.029 1.00 1.00 H new ATOM 0 HD2 LYS A 25 52.779 -20.017 -8.270 1.00 1.00 H new ATOM 0 HD3 LYS A 25 53.224 -21.336 -7.205 1.00 1.00 H new ATOM 0 HE2 LYS A 25 53.069 -22.858 -9.335 1.00 1.00 H new ATOM 0 HE3 LYS A 25 53.076 -21.363 -10.249 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 55.321 -22.220 -9.953 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 55.156 -20.733 -9.149 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 55.149 -22.182 -8.264 1.00 1.00 H new ATOM 369 N SER A 26 48.656 -22.370 -5.032 1.00 1.00 N ATOM 370 CA SER A 26 48.475 -23.612 -4.289 1.00 1.00 C ATOM 371 C SER A 26 47.002 -23.832 -3.960 1.00 1.00 C ATOM 372 O SER A 26 46.489 -24.944 -4.085 1.00 1.00 O ATOM 373 CB SER A 26 49.287 -23.567 -2.994 1.00 1.00 C ATOM 374 OG SER A 26 50.673 -23.603 -3.307 1.00 1.00 O ATOM 0 H SER A 26 48.616 -21.525 -4.463 1.00 1.00 H new ATOM 0 HA SER A 26 48.823 -24.438 -4.909 1.00 1.00 H new ATOM 0 HB2 SER A 26 49.052 -22.661 -2.435 1.00 1.00 H new ATOM 0 HB3 SER A 26 49.024 -24.412 -2.357 1.00 1.00 H new ATOM 0 HG SER A 26 51.196 -23.573 -2.479 1.00 1.00 H new ATOM 380 N SER A 27 46.327 -22.766 -3.541 1.00 1.00 N ATOM 381 CA SER A 27 44.914 -22.857 -3.199 1.00 1.00 C ATOM 382 C SER A 27 44.047 -22.519 -4.406 1.00 1.00 C ATOM 383 O SER A 27 42.939 -22.003 -4.262 1.00 1.00 O ATOM 384 CB SER A 27 44.592 -21.899 -2.053 1.00 1.00 C ATOM 385 OG SER A 27 45.783 -21.617 -1.329 1.00 1.00 O ATOM 0 H SER A 27 46.733 -21.837 -3.431 1.00 1.00 H new ATOM 0 HA SER A 27 44.700 -23.880 -2.888 1.00 1.00 H new ATOM 0 HB2 SER A 27 44.163 -20.976 -2.444 1.00 1.00 H new ATOM 0 HB3 SER A 27 43.847 -22.342 -1.392 1.00 1.00 H new ATOM 0 HG SER A 27 45.733 -20.712 -0.957 1.00 1.00 H new ATOM 391 N GLY A 28 44.561 -22.816 -5.596 1.00 1.00 N ATOM 392 CA GLY A 28 43.830 -22.543 -6.830 1.00 1.00 C ATOM 393 C GLY A 28 43.775 -23.783 -7.714 1.00 1.00 C ATOM 394 O GLY A 28 43.632 -23.683 -8.933 1.00 1.00 O ATOM 0 H GLY A 28 45.477 -23.244 -5.732 1.00 1.00 H new ATOM 0 HA2 GLY A 28 42.818 -22.215 -6.593 1.00 1.00 H new ATOM 0 HA3 GLY A 28 44.311 -21.727 -7.370 1.00 1.00 H new ATOM 398 N ALA A 29 43.891 -24.952 -7.090 1.00 1.00 N ATOM 399 CA ALA A 29 43.854 -26.210 -7.827 1.00 1.00 C ATOM 400 C ALA A 29 42.940 -27.213 -7.132 1.00 1.00 C ATOM 401 O ALA A 29 43.010 -28.415 -7.391 1.00 1.00 O ATOM 402 CB ALA A 29 45.265 -26.794 -7.935 1.00 1.00 C ATOM 0 H ALA A 29 44.011 -25.054 -6.082 1.00 1.00 H new ATOM 0 HA ALA A 29 43.464 -26.012 -8.825 1.00 1.00 H new ATOM 0 HB1 ALA A 29 45.229 -27.733 -8.487 1.00 1.00 H new ATOM 0 HB2 ALA A 29 45.911 -26.090 -8.459 1.00 1.00 H new ATOM 0 HB3 ALA A 29 45.661 -26.975 -6.936 1.00 1.00 H new ATOM 408 N LEU A 30 42.081 -26.713 -6.249 1.00 1.00 N ATOM 409 CA LEU A 30 41.157 -27.579 -5.526 1.00 1.00 C ATOM 410 C LEU A 30 39.847 -26.851 -5.238 1.00 1.00 C ATOM 411 O LEU A 30 38.774 -27.453 -5.271 1.00 1.00 O ATOM 412 CB LEU A 30 41.789 -28.039 -4.210 1.00 1.00 C ATOM 413 CG LEU A 30 42.515 -26.867 -3.549 1.00 1.00 C ATOM 414 CD1 LEU A 30 42.243 -26.882 -2.044 1.00 1.00 C ATOM 415 CD2 LEU A 30 44.020 -26.997 -3.796 1.00 1.00 C ATOM 0 H LEU A 30 42.006 -25.722 -6.019 1.00 1.00 H new ATOM 0 HA LEU A 30 40.945 -28.448 -6.149 1.00 1.00 H new ATOM 0 HB2 LEU A 30 41.020 -28.426 -3.542 1.00 1.00 H new ATOM 0 HB3 LEU A 30 42.488 -28.854 -4.397 1.00 1.00 H new ATOM 0 HG LEU A 30 42.155 -25.930 -3.974 1.00 1.00 H new ATOM 0 HD11 LEU A 30 42.760 -26.047 -1.572 1.00 1.00 H new ATOM 0 HD12 LEU A 30 41.171 -26.792 -1.867 1.00 1.00 H new ATOM 0 HD13 LEU A 30 42.603 -27.819 -1.618 1.00 1.00 H new ATOM 0 HD21 LEU A 30 44.539 -26.162 -3.325 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.379 -27.934 -3.370 1.00 1.00 H new ATOM 0 HD23 LEU A 30 44.215 -26.987 -4.868 1.00 1.00 H new ATOM 427 N ILE A 31 39.940 -25.554 -4.960 1.00 1.00 N ATOM 428 CA ILE A 31 38.753 -24.760 -4.673 1.00 1.00 C ATOM 429 C ILE A 31 37.923 -24.512 -5.939 1.00 1.00 C ATOM 430 O ILE A 31 36.695 -24.476 -5.874 1.00 1.00 O ATOM 431 CB ILE A 31 39.151 -23.422 -4.049 1.00 1.00 C ATOM 432 CG1 ILE A 31 40.399 -23.613 -3.183 1.00 1.00 C ATOM 433 CG2 ILE A 31 38.005 -22.904 -3.178 1.00 1.00 C ATOM 434 CD1 ILE A 31 40.551 -22.422 -2.237 1.00 1.00 C ATOM 0 H ILE A 31 40.818 -25.035 -4.928 1.00 1.00 H new ATOM 0 HA ILE A 31 38.141 -25.324 -3.969 1.00 1.00 H new ATOM 0 HB ILE A 31 39.362 -22.702 -4.840 1.00 1.00 H new ATOM 0 HG12 ILE A 31 40.320 -24.537 -2.611 1.00 1.00 H new ATOM 0 HG13 ILE A 31 41.283 -23.704 -3.815 1.00 1.00 H new ATOM 0 HG21 ILE A 31 38.289 -21.950 -2.733 1.00 1.00 H new ATOM 0 HG22 ILE A 31 37.115 -22.768 -3.792 1.00 1.00 H new ATOM 0 HG23 ILE A 31 37.794 -23.625 -2.388 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.440 -22.558 -1.620 1.00 1.00 H new ATOM 0 HD12 ILE A 31 40.650 -21.506 -2.819 1.00 1.00 H new ATOM 0 HD13 ILE A 31 39.672 -22.352 -1.596 1.00 1.00 H new ATOM 446 N PRO A 32 38.553 -24.338 -7.079 1.00 1.00 N ATOM 447 CA PRO A 32 37.824 -24.086 -8.358 1.00 1.00 C ATOM 448 C PRO A 32 36.895 -25.240 -8.724 1.00 1.00 C ATOM 449 O PRO A 32 35.842 -25.034 -9.327 1.00 1.00 O ATOM 450 CB PRO A 32 38.934 -23.931 -9.408 1.00 1.00 C ATOM 451 CG PRO A 32 40.191 -23.686 -8.641 1.00 1.00 C ATOM 452 CD PRO A 32 40.010 -24.359 -7.285 1.00 1.00 C ATOM 0 HA PRO A 32 37.182 -23.208 -8.286 1.00 1.00 H new ATOM 0 HB2 PRO A 32 39.019 -24.828 -10.022 1.00 1.00 H new ATOM 0 HB3 PRO A 32 38.720 -23.102 -10.083 1.00 1.00 H new ATOM 0 HG2 PRO A 32 41.052 -24.098 -9.167 1.00 1.00 H new ATOM 0 HG3 PRO A 32 40.371 -22.618 -8.523 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.400 -25.377 -7.288 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.534 -23.819 -6.496 1.00 1.00 H new ATOM 460 N ALA A 33 37.291 -26.452 -8.354 1.00 1.00 N ATOM 461 CA ALA A 33 36.485 -27.632 -8.650 1.00 1.00 C ATOM 462 C ALA A 33 35.083 -27.485 -8.068 1.00 1.00 C ATOM 463 O ALA A 33 34.104 -27.367 -8.805 1.00 1.00 O ATOM 464 CB ALA A 33 37.154 -28.879 -8.070 1.00 1.00 C ATOM 0 H ALA A 33 38.158 -26.644 -7.852 1.00 1.00 H new ATOM 0 HA ALA A 33 36.406 -27.733 -9.732 1.00 1.00 H new ATOM 0 HB1 ALA A 33 36.547 -29.756 -8.295 1.00 1.00 H new ATOM 0 HB2 ALA A 33 38.143 -29.000 -8.512 1.00 1.00 H new ATOM 0 HB3 ALA A 33 37.250 -28.771 -6.990 1.00 1.00 H new ATOM 470 N ILE A 34 34.995 -27.495 -6.742 1.00 1.00 N ATOM 471 CA ILE A 34 33.706 -27.363 -6.072 1.00 1.00 C ATOM 472 C ILE A 34 32.957 -26.141 -6.595 1.00 1.00 C ATOM 473 O ILE A 34 31.742 -26.180 -6.782 1.00 1.00 O ATOM 474 CB ILE A 34 33.916 -27.236 -4.559 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.054 -28.637 -3.948 1.00 1.00 C ATOM 476 CG2 ILE A 34 32.727 -26.507 -3.925 1.00 1.00 C ATOM 477 CD1 ILE A 34 32.674 -29.195 -3.587 1.00 1.00 C ATOM 0 H ILE A 34 35.793 -27.592 -6.115 1.00 1.00 H new ATOM 0 HA ILE A 34 33.112 -28.253 -6.280 1.00 1.00 H new ATOM 0 HB ILE A 34 34.823 -26.663 -4.366 1.00 1.00 H new ATOM 0 HG12 ILE A 34 34.550 -29.303 -4.655 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.681 -28.593 -3.057 1.00 1.00 H new ATOM 0 HG21 ILE A 34 32.884 -26.421 -2.850 1.00 1.00 H new ATOM 0 HG22 ILE A 34 32.637 -25.511 -4.359 1.00 1.00 H new ATOM 0 HG23 ILE A 34 31.813 -27.069 -4.114 1.00 1.00 H new ATOM 0 HD11 ILE A 34 32.785 -30.189 -3.154 1.00 1.00 H new ATOM 0 HD12 ILE A 34 32.193 -28.536 -2.864 1.00 1.00 H new ATOM 0 HD13 ILE A 34 32.060 -29.257 -4.486 1.00 1.00 H new ATOM 489 N TYR A 35 33.691 -25.059 -6.829 1.00 1.00 N ATOM 490 CA TYR A 35 33.084 -23.832 -7.330 1.00 1.00 C ATOM 491 C TYR A 35 32.453 -24.068 -8.697 1.00 1.00 C ATOM 492 O TYR A 35 31.244 -23.909 -8.870 1.00 1.00 O ATOM 493 CB TYR A 35 34.140 -22.731 -7.435 1.00 1.00 C ATOM 494 CG TYR A 35 33.901 -21.702 -6.358 1.00 1.00 C ATOM 495 CD1 TYR A 35 33.041 -20.624 -6.597 1.00 1.00 C ATOM 496 CD2 TYR A 35 34.537 -21.827 -5.116 1.00 1.00 C ATOM 497 CE1 TYR A 35 32.815 -19.671 -5.597 1.00 1.00 C ATOM 498 CE2 TYR A 35 34.312 -20.873 -4.116 1.00 1.00 C ATOM 499 CZ TYR A 35 33.451 -19.796 -4.356 1.00 1.00 C ATOM 500 OH TYR A 35 33.229 -18.857 -3.370 1.00 1.00 O ATOM 0 H TYR A 35 34.699 -25.006 -6.681 1.00 1.00 H new ATOM 0 HA TYR A 35 32.306 -23.522 -6.632 1.00 1.00 H new ATOM 0 HB2 TYR A 35 35.138 -23.158 -7.331 1.00 1.00 H new ATOM 0 HB3 TYR A 35 34.095 -22.262 -8.418 1.00 1.00 H new ATOM 0 HD1 TYR A 35 32.551 -20.527 -7.555 1.00 1.00 H new ATOM 0 HD2 TYR A 35 35.200 -22.659 -4.930 1.00 1.00 H new ATOM 0 HE1 TYR A 35 32.151 -18.840 -5.783 1.00 1.00 H new ATOM 0 HE2 TYR A 35 34.803 -20.968 -3.159 1.00 1.00 H new ATOM 0 HH TYR A 35 33.746 -19.093 -2.571 1.00 1.00 H new ATOM 510 N MET A 36 33.277 -24.450 -9.667 1.00 1.00 N ATOM 511 CA MET A 36 32.787 -24.707 -11.016 1.00 1.00 C ATOM 512 C MET A 36 31.660 -25.734 -10.991 1.00 1.00 C ATOM 513 O MET A 36 30.561 -25.477 -11.481 1.00 1.00 O ATOM 514 CB MET A 36 33.928 -25.220 -11.897 1.00 1.00 C ATOM 515 CG MET A 36 34.543 -24.051 -12.668 1.00 1.00 C ATOM 516 SD MET A 36 34.866 -22.681 -11.530 1.00 1.00 S ATOM 517 CE MET A 36 33.908 -21.424 -12.412 1.00 1.00 C ATOM 0 H MET A 36 34.280 -24.588 -9.546 1.00 1.00 H new ATOM 0 HA MET A 36 32.403 -23.773 -11.426 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.687 -25.703 -11.282 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.555 -25.972 -12.592 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.470 -24.365 -13.148 1.00 1.00 H new ATOM 0 HG3 MET A 36 33.867 -23.728 -13.460 1.00 1.00 H new ATOM 0 HE1 MET A 36 33.969 -20.477 -11.875 1.00 1.00 H new ATOM 0 HE2 MET A 36 34.311 -21.298 -13.417 1.00 1.00 H new ATOM 0 HE3 MET A 36 32.866 -21.739 -12.476 1.00 1.00 H new ATOM 527 N LEU A 37 31.940 -26.898 -10.415 1.00 1.00 N ATOM 528 CA LEU A 37 30.941 -27.957 -10.331 1.00 1.00 C ATOM 529 C LEU A 37 29.618 -27.401 -9.819 1.00 1.00 C ATOM 530 O LEU A 37 28.546 -27.828 -10.246 1.00 1.00 O ATOM 531 CB LEU A 37 31.429 -29.064 -9.393 1.00 1.00 C ATOM 532 CG LEU A 37 30.714 -30.372 -9.732 1.00 1.00 C ATOM 533 CD1 LEU A 37 31.562 -31.177 -10.719 1.00 1.00 C ATOM 534 CD2 LEU A 37 30.510 -31.187 -8.453 1.00 1.00 C ATOM 0 H LEU A 37 32.843 -27.131 -10.002 1.00 1.00 H new ATOM 0 HA LEU A 37 30.789 -28.369 -11.329 1.00 1.00 H new ATOM 0 HB2 LEU A 37 32.507 -29.190 -9.492 1.00 1.00 H new ATOM 0 HB3 LEU A 37 31.234 -28.789 -8.356 1.00 1.00 H new ATOM 0 HG LEU A 37 29.746 -30.151 -10.181 1.00 1.00 H new ATOM 0 HD11 LEU A 37 31.052 -32.110 -10.961 1.00 1.00 H new ATOM 0 HD12 LEU A 37 31.709 -30.597 -11.630 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.530 -31.399 -10.270 1.00 1.00 H new ATOM 0 HD21 LEU A 37 30.000 -32.120 -8.693 1.00 1.00 H new ATOM 0 HD22 LEU A 37 31.478 -31.408 -8.004 1.00 1.00 H new ATOM 0 HD23 LEU A 37 29.906 -30.614 -7.749 1.00 1.00 H new ATOM 546 N VAL A 38 29.703 -26.442 -8.901 1.00 1.00 N ATOM 547 CA VAL A 38 28.504 -25.832 -8.337 1.00 1.00 C ATOM 548 C VAL A 38 28.089 -24.612 -9.154 1.00 1.00 C ATOM 549 O VAL A 38 27.013 -24.051 -8.945 1.00 1.00 O ATOM 550 CB VAL A 38 28.764 -25.415 -6.888 1.00 1.00 C ATOM 551 CG1 VAL A 38 27.610 -24.540 -6.394 1.00 1.00 C ATOM 552 CG2 VAL A 38 28.870 -26.663 -6.010 1.00 1.00 C ATOM 0 H VAL A 38 30.581 -26.074 -8.535 1.00 1.00 H new ATOM 0 HA VAL A 38 27.697 -26.565 -8.365 1.00 1.00 H new ATOM 0 HB VAL A 38 29.696 -24.852 -6.833 1.00 1.00 H new ATOM 0 HG11 VAL A 38 27.795 -24.243 -5.362 1.00 1.00 H new ATOM 0 HG12 VAL A 38 27.534 -23.651 -7.020 1.00 1.00 H new ATOM 0 HG13 VAL A 38 26.678 -25.102 -6.448 1.00 1.00 H new ATOM 0 HG21 VAL A 38 29.055 -26.367 -4.978 1.00 1.00 H new ATOM 0 HG22 VAL A 38 27.938 -27.226 -6.064 1.00 1.00 H new ATOM 0 HG23 VAL A 38 29.692 -27.286 -6.362 1.00 1.00 H new ATOM 562 N PHE A 39 28.948 -24.208 -10.083 1.00 1.00 N ATOM 563 CA PHE A 39 28.659 -23.053 -10.926 1.00 1.00 C ATOM 564 C PHE A 39 27.814 -23.462 -12.127 1.00 1.00 C ATOM 565 O PHE A 39 26.747 -22.896 -12.368 1.00 1.00 O ATOM 566 CB PHE A 39 29.966 -22.422 -11.412 1.00 1.00 C ATOM 567 CG PHE A 39 29.705 -21.003 -11.858 1.00 1.00 C ATOM 568 CD1 PHE A 39 29.731 -19.960 -10.925 1.00 1.00 C ATOM 569 CD2 PHE A 39 29.438 -20.731 -13.205 1.00 1.00 C ATOM 570 CE1 PHE A 39 29.490 -18.644 -11.338 1.00 1.00 C ATOM 571 CE2 PHE A 39 29.197 -19.414 -13.619 1.00 1.00 C ATOM 572 CZ PHE A 39 29.224 -18.372 -12.685 1.00 1.00 C ATOM 0 H PHE A 39 29.843 -24.659 -10.271 1.00 1.00 H new ATOM 0 HA PHE A 39 28.101 -22.327 -10.335 1.00 1.00 H new ATOM 0 HB2 PHE A 39 30.707 -22.433 -10.612 1.00 1.00 H new ATOM 0 HB3 PHE A 39 30.378 -23.004 -12.236 1.00 1.00 H new ATOM 0 HD1 PHE A 39 29.937 -20.170 -9.886 1.00 1.00 H new ATOM 0 HD2 PHE A 39 29.418 -21.536 -13.925 1.00 1.00 H new ATOM 0 HE1 PHE A 39 29.509 -17.839 -10.618 1.00 1.00 H new ATOM 0 HE2 PHE A 39 28.991 -19.203 -14.658 1.00 1.00 H new ATOM 0 HZ PHE A 39 29.039 -17.357 -13.004 1.00 1.00 H new ATOM 582 N LEU A 40 28.296 -24.445 -12.880 1.00 1.00 N ATOM 583 CA LEU A 40 27.574 -24.918 -14.057 1.00 1.00 C ATOM 584 C LEU A 40 26.356 -25.742 -13.649 1.00 1.00 C ATOM 585 O LEU A 40 25.581 -26.178 -14.501 1.00 1.00 O ATOM 586 CB LEU A 40 28.496 -25.764 -14.941 1.00 1.00 C ATOM 587 CG LEU A 40 29.292 -26.746 -14.077 1.00 1.00 C ATOM 588 CD1 LEU A 40 29.182 -28.152 -14.671 1.00 1.00 C ATOM 589 CD2 LEU A 40 30.763 -26.322 -14.051 1.00 1.00 C ATOM 0 H LEU A 40 29.177 -24.927 -12.699 1.00 1.00 H new ATOM 0 HA LEU A 40 27.236 -24.048 -14.620 1.00 1.00 H new ATOM 0 HB2 LEU A 40 27.907 -26.310 -15.678 1.00 1.00 H new ATOM 0 HB3 LEU A 40 29.178 -25.117 -15.494 1.00 1.00 H new ATOM 0 HG LEU A 40 28.892 -26.745 -13.063 1.00 1.00 H new ATOM 0 HD11 LEU A 40 29.748 -28.852 -14.057 1.00 1.00 H new ATOM 0 HD12 LEU A 40 28.135 -28.456 -14.696 1.00 1.00 H new ATOM 0 HD13 LEU A 40 29.584 -28.151 -15.684 1.00 1.00 H new ATOM 0 HD21 LEU A 40 31.332 -27.020 -13.436 1.00 1.00 H new ATOM 0 HD22 LEU A 40 31.161 -26.325 -15.066 1.00 1.00 H new ATOM 0 HD23 LEU A 40 30.845 -25.319 -13.632 1.00 1.00 H new ATOM 601 N LEU A 41 26.193 -25.947 -12.343 1.00 1.00 N ATOM 602 CA LEU A 41 25.061 -26.716 -11.829 1.00 1.00 C ATOM 603 C LEU A 41 24.277 -25.896 -10.810 1.00 1.00 C ATOM 604 O LEU A 41 23.253 -26.344 -10.294 1.00 1.00 O ATOM 605 CB LEU A 41 25.558 -28.005 -11.169 1.00 1.00 C ATOM 606 CG LEU A 41 26.350 -28.837 -12.182 1.00 1.00 C ATOM 607 CD1 LEU A 41 26.904 -30.085 -11.494 1.00 1.00 C ATOM 608 CD2 LEU A 41 25.437 -29.261 -13.338 1.00 1.00 C ATOM 0 H LEU A 41 26.826 -25.594 -11.625 1.00 1.00 H new ATOM 0 HA LEU A 41 24.407 -26.964 -12.665 1.00 1.00 H new ATOM 0 HB2 LEU A 41 26.186 -27.766 -10.311 1.00 1.00 H new ATOM 0 HB3 LEU A 41 24.712 -28.581 -10.794 1.00 1.00 H new ATOM 0 HG LEU A 41 27.171 -28.236 -12.573 1.00 1.00 H new ATOM 0 HD11 LEU A 41 27.468 -30.678 -12.214 1.00 1.00 H new ATOM 0 HD12 LEU A 41 27.560 -29.788 -10.676 1.00 1.00 H new ATOM 0 HD13 LEU A 41 26.080 -30.680 -11.101 1.00 1.00 H new ATOM 0 HD21 LEU A 41 26.008 -29.852 -14.054 1.00 1.00 H new ATOM 0 HD22 LEU A 41 24.612 -29.858 -12.950 1.00 1.00 H new ATOM 0 HD23 LEU A 41 25.041 -28.374 -13.833 1.00 1.00 H new ATOM 620 N GLY A 42 24.766 -24.693 -10.525 1.00 1.00 N ATOM 621 CA GLY A 42 24.103 -23.817 -9.565 1.00 1.00 C ATOM 622 C GLY A 42 24.033 -22.388 -10.090 1.00 1.00 C ATOM 623 O GLY A 42 23.578 -21.482 -9.392 1.00 1.00 O ATOM 0 H GLY A 42 25.612 -24.305 -10.941 1.00 1.00 H new ATOM 0 HA2 GLY A 42 23.097 -24.185 -9.366 1.00 1.00 H new ATOM 0 HA3 GLY A 42 24.642 -23.835 -8.618 1.00 1.00 H new ATOM 627 N THR A 43 24.482 -22.192 -11.325 1.00 1.00 N ATOM 628 CA THR A 43 24.464 -20.867 -11.932 1.00 1.00 C ATOM 629 C THR A 43 24.325 -20.972 -13.447 1.00 1.00 C ATOM 630 O THR A 43 24.767 -20.089 -14.183 1.00 1.00 O ATOM 631 CB THR A 43 25.751 -20.114 -11.585 1.00 1.00 C ATOM 632 OG1 THR A 43 26.105 -20.381 -10.236 1.00 1.00 O ATOM 633 CG2 THR A 43 25.531 -18.612 -11.771 1.00 1.00 C ATOM 0 H THR A 43 24.860 -22.928 -11.921 1.00 1.00 H new ATOM 0 HA THR A 43 23.607 -20.320 -11.538 1.00 1.00 H new ATOM 0 HB THR A 43 26.555 -20.444 -12.243 1.00 1.00 H new ATOM 0 HG1 THR A 43 26.930 -19.901 -10.013 1.00 1.00 H new ATOM 0 HG21 THR A 43 26.448 -18.077 -11.524 1.00 1.00 H new ATOM 0 HG22 THR A 43 25.261 -18.409 -12.807 1.00 1.00 H new ATOM 0 HG23 THR A 43 24.727 -18.278 -11.115 1.00 1.00 H new ATOM 641 N THR A 44 23.707 -22.058 -13.904 1.00 1.00 N ATOM 642 CA THR A 44 23.508 -22.276 -15.333 1.00 1.00 C ATOM 643 C THR A 44 22.050 -22.618 -15.618 1.00 1.00 C ATOM 644 O THR A 44 21.440 -22.063 -16.532 1.00 1.00 O ATOM 645 CB THR A 44 24.408 -23.414 -15.818 1.00 1.00 C ATOM 646 OG1 THR A 44 25.718 -22.917 -16.046 1.00 1.00 O ATOM 647 CG2 THR A 44 23.847 -23.992 -17.118 1.00 1.00 C ATOM 0 H THR A 44 23.337 -22.798 -13.308 1.00 1.00 H new ATOM 0 HA THR A 44 23.767 -21.360 -15.865 1.00 1.00 H new ATOM 0 HB THR A 44 24.443 -24.196 -15.060 1.00 1.00 H new ATOM 0 HG1 THR A 44 26.252 -23.600 -16.503 1.00 1.00 H new ATOM 0 HG21 THR A 44 24.489 -24.803 -17.463 1.00 1.00 H new ATOM 0 HG22 THR A 44 22.842 -24.375 -16.942 1.00 1.00 H new ATOM 0 HG23 THR A 44 23.810 -23.211 -17.877 1.00 1.00 H new ATOM 655 N GLY A 45 21.501 -23.534 -14.823 1.00 1.00 N ATOM 656 CA GLY A 45 20.112 -23.948 -14.986 1.00 1.00 C ATOM 657 C GLY A 45 19.320 -23.690 -13.710 1.00 1.00 C ATOM 658 O GLY A 45 18.148 -24.054 -13.608 1.00 1.00 O ATOM 0 H GLY A 45 21.996 -24.001 -14.063 1.00 1.00 H new ATOM 0 HA2 GLY A 45 19.660 -23.405 -15.816 1.00 1.00 H new ATOM 0 HA3 GLY A 45 20.070 -25.008 -15.238 1.00 1.00 H new ATOM 662 N ASN A 46 19.969 -23.058 -12.736 1.00 1.00 N ATOM 663 CA ASN A 46 19.321 -22.752 -11.467 1.00 1.00 C ATOM 664 C ASN A 46 18.933 -21.279 -11.403 1.00 1.00 C ATOM 665 O ASN A 46 17.793 -20.940 -11.090 1.00 1.00 O ATOM 666 CB ASN A 46 20.260 -23.086 -10.307 1.00 1.00 C ATOM 667 CG ASN A 46 20.151 -24.566 -9.957 1.00 1.00 C ATOM 668 OD1 ASN A 46 21.021 -25.408 -10.445 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 19.249 -24.967 -9.221 1.00 1.00 N flip ATOM 0 H ASN A 46 20.939 -22.749 -12.802 1.00 1.00 H new ATOM 0 HA ASN A 46 18.417 -23.356 -11.388 1.00 1.00 H new ATOM 0 HB2 ASN A 46 21.287 -22.843 -10.578 1.00 1.00 H new ATOM 0 HB3 ASN A 46 20.008 -22.479 -9.438 1.00 1.00 H new ATOM 0 HD21 ASN A 46 18.570 -24.308 -8.841 1.00 1.00 H new ATOM 0 HD22 ASN A 46 19.181 -25.959 -8.992 1.00 1.00 H new ATOM 676 N GLY A 47 19.891 -20.407 -11.702 1.00 1.00 N ATOM 677 CA GLY A 47 19.639 -18.971 -11.675 1.00 1.00 C ATOM 678 C GLY A 47 18.672 -18.567 -12.782 1.00 1.00 C ATOM 679 O GLY A 47 17.678 -17.885 -12.532 1.00 1.00 O ATOM 0 H GLY A 47 20.842 -20.667 -11.964 1.00 1.00 H new ATOM 0 HA2 GLY A 47 19.227 -18.688 -10.706 1.00 1.00 H new ATOM 0 HA3 GLY A 47 20.578 -18.431 -11.792 1.00 1.00 H new ATOM 683 N LEU A 48 18.969 -18.993 -14.005 1.00 1.00 N ATOM 684 CA LEU A 48 18.117 -18.670 -15.144 1.00 1.00 C ATOM 685 C LEU A 48 16.674 -19.075 -14.861 1.00 1.00 C ATOM 686 O LEU A 48 15.746 -18.296 -15.077 1.00 1.00 O ATOM 687 CB LEU A 48 18.624 -19.397 -16.395 1.00 1.00 C ATOM 688 CG LEU A 48 17.829 -18.945 -17.628 1.00 1.00 C ATOM 689 CD1 LEU A 48 18.071 -17.456 -17.900 1.00 1.00 C ATOM 690 CD2 LEU A 48 18.280 -19.758 -18.844 1.00 1.00 C ATOM 0 H LEU A 48 19.787 -19.559 -14.232 1.00 1.00 H new ATOM 0 HA LEU A 48 18.152 -17.594 -15.312 1.00 1.00 H new ATOM 0 HB2 LEU A 48 19.684 -19.190 -16.541 1.00 1.00 H new ATOM 0 HB3 LEU A 48 18.525 -20.475 -16.264 1.00 1.00 H new ATOM 0 HG LEU A 48 16.767 -19.105 -17.443 1.00 1.00 H new ATOM 0 HD11 LEU A 48 17.501 -17.149 -18.777 1.00 1.00 H new ATOM 0 HD12 LEU A 48 17.752 -16.872 -17.037 1.00 1.00 H new ATOM 0 HD13 LEU A 48 19.133 -17.287 -18.080 1.00 1.00 H new ATOM 0 HD21 LEU A 48 17.718 -19.441 -19.723 1.00 1.00 H new ATOM 0 HD22 LEU A 48 19.344 -19.596 -19.016 1.00 1.00 H new ATOM 0 HD23 LEU A 48 18.099 -20.817 -18.661 1.00 1.00 H new ATOM 702 N VAL A 49 16.492 -20.299 -14.377 1.00 1.00 N ATOM 703 CA VAL A 49 15.157 -20.798 -14.068 1.00 1.00 C ATOM 704 C VAL A 49 14.485 -19.918 -13.019 1.00 1.00 C ATOM 705 O VAL A 49 13.554 -19.172 -13.326 1.00 1.00 O ATOM 706 CB VAL A 49 15.242 -22.235 -13.551 1.00 1.00 C ATOM 707 CG1 VAL A 49 13.929 -22.609 -12.862 1.00 1.00 C ATOM 708 CG2 VAL A 49 15.490 -23.184 -14.725 1.00 1.00 C ATOM 0 H VAL A 49 17.246 -20.960 -14.191 1.00 1.00 H new ATOM 0 HA VAL A 49 14.562 -20.775 -14.981 1.00 1.00 H new ATOM 0 HB VAL A 49 16.062 -22.316 -12.837 1.00 1.00 H new ATOM 0 HG11 VAL A 49 13.990 -23.633 -12.494 1.00 1.00 H new ATOM 0 HG12 VAL A 49 13.751 -21.933 -12.026 1.00 1.00 H new ATOM 0 HG13 VAL A 49 13.108 -22.528 -13.575 1.00 1.00 H new ATOM 0 HG21 VAL A 49 15.551 -24.209 -14.358 1.00 1.00 H new ATOM 0 HG22 VAL A 49 14.670 -23.102 -15.438 1.00 1.00 H new ATOM 0 HG23 VAL A 49 16.426 -22.918 -15.216 1.00 1.00 H new ATOM 718 N LEU A 50 14.962 -20.008 -11.783 1.00 1.00 N ATOM 719 CA LEU A 50 14.399 -19.215 -10.696 1.00 1.00 C ATOM 720 C LEU A 50 14.114 -17.792 -11.164 1.00 1.00 C ATOM 721 O LEU A 50 13.182 -17.145 -10.685 1.00 1.00 O ATOM 722 CB LEU A 50 15.371 -19.182 -9.516 1.00 1.00 C ATOM 723 CG LEU A 50 15.261 -20.486 -8.725 1.00 1.00 C ATOM 724 CD1 LEU A 50 16.618 -20.822 -8.103 1.00 1.00 C ATOM 725 CD2 LEU A 50 14.219 -20.323 -7.616 1.00 1.00 C ATOM 0 H LEU A 50 15.732 -20.618 -11.509 1.00 1.00 H new ATOM 0 HA LEU A 50 13.463 -19.676 -10.381 1.00 1.00 H new ATOM 0 HB2 LEU A 50 16.391 -19.048 -9.876 1.00 1.00 H new ATOM 0 HB3 LEU A 50 15.146 -18.333 -8.870 1.00 1.00 H new ATOM 0 HG LEU A 50 14.958 -21.292 -9.394 1.00 1.00 H new ATOM 0 HD11 LEU A 50 16.540 -21.752 -7.539 1.00 1.00 H new ATOM 0 HD12 LEU A 50 17.361 -20.938 -8.892 1.00 1.00 H new ATOM 0 HD13 LEU A 50 16.921 -20.016 -7.434 1.00 1.00 H new ATOM 0 HD21 LEU A 50 14.140 -21.252 -7.052 1.00 1.00 H new ATOM 0 HD22 LEU A 50 14.522 -19.517 -6.948 1.00 1.00 H new ATOM 0 HD23 LEU A 50 13.252 -20.083 -8.058 1.00 1.00 H new ATOM 737 N TRP A 51 14.922 -17.310 -12.103 1.00 1.00 N ATOM 738 CA TRP A 51 14.746 -15.962 -12.629 1.00 1.00 C ATOM 739 C TRP A 51 13.595 -15.924 -13.629 1.00 1.00 C ATOM 740 O TRP A 51 12.715 -15.067 -13.544 1.00 1.00 O ATOM 741 CB TRP A 51 16.034 -15.496 -13.311 1.00 1.00 C ATOM 742 CG TRP A 51 15.794 -14.189 -13.994 1.00 1.00 C ATOM 743 CD1 TRP A 51 15.911 -12.974 -13.411 1.00 1.00 C ATOM 744 CD2 TRP A 51 15.401 -13.943 -15.376 1.00 1.00 C ATOM 745 NE1 TRP A 51 15.614 -11.999 -14.345 1.00 1.00 N ATOM 746 CE2 TRP A 51 15.295 -12.547 -15.572 1.00 1.00 C ATOM 747 CE3 TRP A 51 15.130 -14.789 -16.467 1.00 1.00 C ATOM 748 CZ2 TRP A 51 14.931 -12.007 -16.807 1.00 1.00 C ATOM 749 CZ3 TRP A 51 14.764 -14.249 -17.711 1.00 1.00 C ATOM 750 CH2 TRP A 51 14.665 -12.861 -17.881 1.00 1.00 C ATOM 0 H TRP A 51 15.699 -17.828 -12.512 1.00 1.00 H new ATOM 0 HA TRP A 51 14.513 -15.295 -11.799 1.00 1.00 H new ATOM 0 HB2 TRP A 51 16.831 -15.392 -12.574 1.00 1.00 H new ATOM 0 HB3 TRP A 51 16.364 -16.241 -14.035 1.00 1.00 H new ATOM 0 HD1 TRP A 51 16.191 -12.795 -12.383 1.00 1.00 H new ATOM 0 HE1 TRP A 51 15.629 -10.998 -14.152 1.00 1.00 H new ATOM 0 HE3 TRP A 51 15.204 -15.860 -16.347 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 14.855 -10.937 -16.932 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 14.558 -14.907 -18.542 1.00 1.00 H new ATOM 0 HH2 TRP A 51 14.384 -12.452 -18.840 1.00 1.00 H new ATOM 761 N THR A 52 13.606 -16.860 -14.572 1.00 1.00 N ATOM 762 CA THR A 52 12.554 -16.925 -15.580 1.00 1.00 C ATOM 763 C THR A 52 11.201 -17.167 -14.920 1.00 1.00 C ATOM 764 O THR A 52 10.209 -16.521 -15.257 1.00 1.00 O ATOM 765 CB THR A 52 12.849 -18.050 -16.573 1.00 1.00 C ATOM 766 OG1 THR A 52 14.013 -17.725 -17.320 1.00 1.00 O ATOM 767 CG2 THR A 52 11.662 -18.222 -17.522 1.00 1.00 C ATOM 0 H THR A 52 14.325 -17.578 -14.660 1.00 1.00 H new ATOM 0 HA THR A 52 12.524 -15.974 -16.111 1.00 1.00 H new ATOM 0 HB THR A 52 13.013 -18.981 -16.030 1.00 1.00 H new ATOM 0 HG1 THR A 52 14.807 -17.855 -16.761 1.00 1.00 H new ATOM 0 HG21 THR A 52 11.874 -19.024 -18.229 1.00 1.00 H new ATOM 0 HG22 THR A 52 10.770 -18.471 -16.947 1.00 1.00 H new ATOM 0 HG23 THR A 52 11.494 -17.293 -18.067 1.00 1.00 H new ATOM 775 N VAL A 53 11.170 -18.102 -13.975 1.00 1.00 N ATOM 776 CA VAL A 53 9.936 -18.423 -13.271 1.00 1.00 C ATOM 777 C VAL A 53 9.456 -17.226 -12.459 1.00 1.00 C ATOM 778 O VAL A 53 8.288 -16.845 -12.530 1.00 1.00 O ATOM 779 CB VAL A 53 10.159 -19.617 -12.343 1.00 1.00 C ATOM 780 CG1 VAL A 53 8.931 -19.807 -11.450 1.00 1.00 C ATOM 781 CG2 VAL A 53 10.378 -20.879 -13.181 1.00 1.00 C ATOM 0 H VAL A 53 11.981 -18.647 -13.681 1.00 1.00 H new ATOM 0 HA VAL A 53 9.174 -18.675 -14.009 1.00 1.00 H new ATOM 0 HB VAL A 53 11.036 -19.435 -11.721 1.00 1.00 H new ATOM 0 HG11 VAL A 53 9.090 -20.659 -10.788 1.00 1.00 H new ATOM 0 HG12 VAL A 53 8.772 -18.909 -10.853 1.00 1.00 H new ATOM 0 HG13 VAL A 53 8.054 -19.989 -12.071 1.00 1.00 H new ATOM 0 HG21 VAL A 53 10.537 -21.731 -12.520 1.00 1.00 H new ATOM 0 HG22 VAL A 53 9.501 -21.060 -13.802 1.00 1.00 H new ATOM 0 HG23 VAL A 53 11.252 -20.746 -13.818 1.00 1.00 H new ATOM 791 N PHE A 54 10.362 -16.636 -11.689 1.00 1.00 N ATOM 792 CA PHE A 54 10.015 -15.482 -10.867 1.00 1.00 C ATOM 793 C PHE A 54 9.266 -14.441 -11.693 1.00 1.00 C ATOM 794 O PHE A 54 8.685 -13.504 -11.146 1.00 1.00 O ATOM 795 CB PHE A 54 11.283 -14.857 -10.282 1.00 1.00 C ATOM 796 CG PHE A 54 11.557 -15.456 -8.923 1.00 1.00 C ATOM 797 CD1 PHE A 54 11.427 -16.837 -8.728 1.00 1.00 C ATOM 798 CD2 PHE A 54 11.941 -14.632 -7.859 1.00 1.00 C ATOM 799 CE1 PHE A 54 11.680 -17.393 -7.469 1.00 1.00 C ATOM 800 CE2 PHE A 54 12.193 -15.188 -6.599 1.00 1.00 C ATOM 801 CZ PHE A 54 12.063 -16.568 -6.404 1.00 1.00 C ATOM 0 H PHE A 54 11.335 -16.934 -11.616 1.00 1.00 H new ATOM 0 HA PHE A 54 9.369 -15.818 -10.056 1.00 1.00 H new ATOM 0 HB2 PHE A 54 12.129 -15.034 -10.947 1.00 1.00 H new ATOM 0 HB3 PHE A 54 11.164 -13.777 -10.198 1.00 1.00 H new ATOM 0 HD1 PHE A 54 11.131 -17.473 -9.549 1.00 1.00 H new ATOM 0 HD2 PHE A 54 12.043 -13.567 -8.010 1.00 1.00 H new ATOM 0 HE1 PHE A 54 11.580 -18.458 -7.319 1.00 1.00 H new ATOM 0 HE2 PHE A 54 12.488 -14.552 -5.777 1.00 1.00 H new ATOM 0 HZ PHE A 54 12.258 -16.997 -5.432 1.00 1.00 H new ATOM 811 N ARG A 55 9.288 -14.611 -13.012 1.00 1.00 N ATOM 812 CA ARG A 55 8.610 -13.679 -13.907 1.00 1.00 C ATOM 813 C ARG A 55 7.327 -14.294 -14.461 1.00 1.00 C ATOM 814 O ARG A 55 6.439 -13.580 -14.927 1.00 1.00 O ATOM 815 CB ARG A 55 9.535 -13.303 -15.066 1.00 1.00 C ATOM 816 CG ARG A 55 10.714 -12.485 -14.534 1.00 1.00 C ATOM 817 CD ARG A 55 11.539 -11.958 -15.710 1.00 1.00 C ATOM 818 NE ARG A 55 11.544 -12.930 -16.797 1.00 1.00 N ATOM 819 CZ ARG A 55 11.807 -12.564 -18.047 1.00 1.00 C ATOM 820 NH1 ARG A 55 12.073 -11.315 -18.319 1.00 1.00 N ATOM 821 NH2 ARG A 55 11.799 -13.452 -19.003 1.00 1.00 N ATOM 0 H ARG A 55 9.765 -15.380 -13.482 1.00 1.00 H new ATOM 0 HA ARG A 55 8.353 -12.786 -13.338 1.00 1.00 H new ATOM 0 HB2 ARG A 55 9.898 -14.203 -15.562 1.00 1.00 H new ATOM 0 HB3 ARG A 55 8.986 -12.727 -15.811 1.00 1.00 H new ATOM 0 HG2 ARG A 55 10.351 -11.654 -13.929 1.00 1.00 H new ATOM 0 HG3 ARG A 55 11.337 -13.103 -13.887 1.00 1.00 H new ATOM 0 HD2 ARG A 55 11.125 -11.012 -16.060 1.00 1.00 H new ATOM 0 HD3 ARG A 55 12.560 -11.758 -15.386 1.00 1.00 H new ATOM 0 HE ARG A 55 11.342 -13.909 -16.594 1.00 1.00 H new ATOM 0 HH11 ARG A 55 12.079 -10.620 -17.572 1.00 1.00 H new ATOM 0 HH12 ARG A 55 12.275 -11.034 -19.278 1.00 1.00 H new ATOM 0 HH21 ARG A 55 11.591 -14.428 -18.791 1.00 1.00 H new ATOM 0 HH22 ARG A 55 12.001 -13.170 -19.962 1.00 1.00 H new ATOM 835 N LYS A 56 7.236 -15.620 -14.411 1.00 1.00 N ATOM 836 CA LYS A 56 6.054 -16.312 -14.915 1.00 1.00 C ATOM 837 C LYS A 56 5.120 -16.684 -13.766 1.00 1.00 C ATOM 838 O LYS A 56 3.919 -16.863 -13.963 1.00 1.00 O ATOM 839 CB LYS A 56 6.478 -17.568 -15.697 1.00 1.00 C ATOM 840 CG LYS A 56 6.291 -18.836 -14.850 1.00 1.00 C ATOM 841 CD LYS A 56 6.965 -20.019 -15.549 1.00 1.00 C ATOM 842 CE LYS A 56 5.986 -21.192 -15.623 1.00 1.00 C ATOM 843 NZ LYS A 56 4.776 -20.783 -16.390 1.00 1.00 N ATOM 0 H LYS A 56 7.958 -16.231 -14.031 1.00 1.00 H new ATOM 0 HA LYS A 56 5.514 -15.645 -15.587 1.00 1.00 H new ATOM 0 HB2 LYS A 56 5.889 -17.647 -16.611 1.00 1.00 H new ATOM 0 HB3 LYS A 56 7.522 -17.478 -15.997 1.00 1.00 H new ATOM 0 HG2 LYS A 56 6.722 -18.691 -13.859 1.00 1.00 H new ATOM 0 HG3 LYS A 56 5.229 -19.039 -14.709 1.00 1.00 H new ATOM 0 HD2 LYS A 56 7.281 -19.731 -16.552 1.00 1.00 H new ATOM 0 HD3 LYS A 56 7.862 -20.314 -15.005 1.00 1.00 H new ATOM 0 HE2 LYS A 56 6.462 -22.047 -16.103 1.00 1.00 H new ATOM 0 HE3 LYS A 56 5.703 -21.507 -14.619 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 4.433 -21.588 -16.953 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 4.032 -20.481 -15.729 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 5.017 -19.995 -17.024 1.00 1.00 H new ATOM 857 N LYS A 57 5.683 -16.796 -12.568 1.00 1.00 N ATOM 858 CA LYS A 57 4.897 -17.146 -11.392 1.00 1.00 C ATOM 859 C LYS A 57 4.657 -15.912 -10.527 1.00 1.00 C ATOM 860 O LYS A 57 3.795 -15.915 -9.648 1.00 1.00 O ATOM 861 CB LYS A 57 5.632 -18.213 -10.576 1.00 1.00 C ATOM 862 CG LYS A 57 4.803 -18.578 -9.337 1.00 1.00 C ATOM 863 CD LYS A 57 5.357 -17.869 -8.094 1.00 1.00 C ATOM 864 CE LYS A 57 6.486 -18.704 -7.480 1.00 1.00 C ATOM 865 NZ LYS A 57 7.264 -19.373 -8.561 1.00 1.00 N ATOM 0 H LYS A 57 6.676 -16.650 -12.386 1.00 1.00 H new ATOM 0 HA LYS A 57 3.934 -17.539 -11.719 1.00 1.00 H new ATOM 0 HB2 LYS A 57 5.801 -19.100 -11.187 1.00 1.00 H new ATOM 0 HB3 LYS A 57 6.612 -17.843 -10.274 1.00 1.00 H new ATOM 0 HG2 LYS A 57 3.762 -18.294 -9.492 1.00 1.00 H new ATOM 0 HG3 LYS A 57 4.820 -19.657 -9.186 1.00 1.00 H new ATOM 0 HD2 LYS A 57 5.729 -16.880 -8.363 1.00 1.00 H new ATOM 0 HD3 LYS A 57 4.562 -17.722 -7.363 1.00 1.00 H new ATOM 0 HE2 LYS A 57 7.142 -18.066 -6.888 1.00 1.00 H new ATOM 0 HE3 LYS A 57 6.072 -19.450 -6.802 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 8.007 -19.965 -8.138 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 6.628 -19.969 -9.129 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 7.700 -18.653 -9.171 1.00 1.00 H new ATOM 879 N GLY A 58 5.425 -14.860 -10.785 1.00 1.00 N ATOM 880 CA GLY A 58 5.290 -13.622 -10.026 1.00 1.00 C ATOM 881 C GLY A 58 4.128 -12.787 -10.550 1.00 1.00 C ATOM 882 O GLY A 58 3.495 -12.044 -9.799 1.00 1.00 O ATOM 0 H GLY A 58 6.143 -14.839 -11.509 1.00 1.00 H new ATOM 0 HA2 GLY A 58 5.132 -13.852 -8.972 1.00 1.00 H new ATOM 0 HA3 GLY A 58 6.214 -13.048 -10.092 1.00 1.00 H new ATOM 886 N HIS A 59 3.852 -12.912 -11.845 1.00 1.00 N ATOM 887 CA HIS A 59 2.764 -12.163 -12.459 1.00 1.00 C ATOM 888 C HIS A 59 1.441 -12.471 -11.764 1.00 1.00 C ATOM 889 O HIS A 59 0.445 -11.776 -11.967 1.00 1.00 O ATOM 890 CB HIS A 59 2.656 -12.520 -13.943 1.00 1.00 C ATOM 891 CG HIS A 59 3.241 -11.409 -14.770 1.00 1.00 C ATOM 892 ND1 HIS A 59 2.812 -10.096 -14.653 1.00 1.00 N ATOM 893 CD2 HIS A 59 4.221 -11.398 -15.732 1.00 1.00 C ATOM 894 CE1 HIS A 59 3.527 -9.356 -15.522 1.00 1.00 C ATOM 895 NE2 HIS A 59 4.399 -10.102 -16.204 1.00 1.00 N ATOM 0 H HIS A 59 4.363 -13.521 -12.484 1.00 1.00 H new ATOM 0 HA HIS A 59 2.978 -11.099 -12.355 1.00 1.00 H new ATOM 0 HB2 HIS A 59 3.183 -13.453 -14.143 1.00 1.00 H new ATOM 0 HB3 HIS A 59 1.612 -12.679 -14.215 1.00 1.00 H new ATOM 0 HD2 HIS A 59 4.770 -12.264 -16.071 1.00 1.00 H new ATOM 0 HE1 HIS A 59 3.409 -8.290 -15.651 1.00 1.00 H new ATOM 0 HE2 HIS A 59 5.056 -9.788 -16.919 1.00 1.00 H new ATOM 903 N HIS A 60 1.440 -13.515 -10.942 1.00 1.00 N ATOM 904 CA HIS A 60 0.233 -13.906 -10.222 1.00 1.00 C ATOM 905 C HIS A 60 0.569 -14.294 -8.786 1.00 1.00 C ATOM 906 O HIS A 60 0.605 -15.477 -8.445 1.00 1.00 O ATOM 907 CB HIS A 60 -0.438 -15.085 -10.929 1.00 1.00 C ATOM 908 CG HIS A 60 -1.432 -14.569 -11.932 1.00 1.00 C ATOM 909 ND1 HIS A 60 -2.677 -14.088 -11.560 1.00 1.00 N ATOM 910 CD2 HIS A 60 -1.380 -14.454 -13.299 1.00 1.00 C ATOM 911 CE1 HIS A 60 -3.318 -13.709 -12.681 1.00 1.00 C ATOM 912 NE2 HIS A 60 -2.572 -13.911 -13.770 1.00 1.00 N ATOM 0 H HIS A 60 2.254 -14.102 -10.758 1.00 1.00 H new ATOM 0 HA HIS A 60 -0.450 -13.057 -10.206 1.00 1.00 H new ATOM 0 HB2 HIS A 60 0.312 -15.699 -11.427 1.00 1.00 H new ATOM 0 HB3 HIS A 60 -0.938 -15.723 -10.200 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -0.541 -14.741 -13.916 1.00 1.00 H new ATOM 0 HE1 HIS A 60 -4.314 -13.292 -12.698 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -2.822 -13.711 -14.738 1.00 1.00 H new ATOM 920 N HIS A 61 0.814 -13.288 -7.949 1.00 1.00 N ATOM 921 CA HIS A 61 1.146 -13.530 -6.548 1.00 1.00 C ATOM 922 C HIS A 61 -0.006 -13.105 -5.643 1.00 1.00 C ATOM 923 O HIS A 61 -0.707 -12.135 -5.929 1.00 1.00 O ATOM 924 CB HIS A 61 2.408 -12.752 -6.170 1.00 1.00 C ATOM 925 CG HIS A 61 3.342 -13.651 -5.407 1.00 1.00 C ATOM 926 ND1 HIS A 61 3.040 -14.124 -4.139 1.00 1.00 N ATOM 927 CD2 HIS A 61 4.572 -14.173 -5.718 1.00 1.00 C ATOM 928 CE1 HIS A 61 4.067 -14.894 -3.738 1.00 1.00 C ATOM 929 NE2 HIS A 61 5.029 -14.958 -4.663 1.00 1.00 N ATOM 0 H HIS A 61 0.789 -12.304 -8.215 1.00 1.00 H new ATOM 0 HA HIS A 61 1.323 -14.597 -6.414 1.00 1.00 H new ATOM 0 HB2 HIS A 61 2.900 -12.377 -7.068 1.00 1.00 H new ATOM 0 HB3 HIS A 61 2.146 -11.885 -5.564 1.00 1.00 H new ATOM 0 HD2 HIS A 61 5.105 -14.001 -6.641 1.00 1.00 H new ATOM 0 HE1 HIS A 61 4.109 -15.399 -2.784 1.00 1.00 H new ATOM 0 HE2 HIS A 61 5.909 -15.471 -4.608 1.00 1.00 H new ATOM 937 N HIS A 62 -0.194 -13.836 -4.550 1.00 1.00 N ATOM 938 CA HIS A 62 -1.263 -13.525 -3.608 1.00 1.00 C ATOM 939 C HIS A 62 -2.608 -13.463 -4.326 1.00 1.00 C ATOM 940 O HIS A 62 -2.889 -12.514 -5.057 1.00 1.00 O ATOM 941 CB HIS A 62 -0.984 -12.184 -2.927 1.00 1.00 C ATOM 942 CG HIS A 62 -0.512 -12.426 -1.520 1.00 1.00 C ATOM 943 ND1 HIS A 62 -1.154 -11.880 -0.419 1.00 1.00 N ATOM 944 CD2 HIS A 62 0.540 -13.152 -1.017 1.00 1.00 C ATOM 945 CE1 HIS A 62 -0.490 -12.282 0.679 1.00 1.00 C ATOM 946 NE2 HIS A 62 0.552 -13.059 0.371 1.00 1.00 N ATOM 0 H HIS A 62 0.376 -14.643 -4.295 1.00 1.00 H new ATOM 0 HA HIS A 62 -1.301 -14.313 -2.856 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -0.229 -11.630 -3.485 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -1.887 -11.573 -2.919 1.00 1.00 H new ATOM 0 HD2 HIS A 62 1.250 -13.710 -1.609 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -0.766 -12.010 1.687 1.00 1.00 H new ATOM 0 HE2 HIS A 62 1.214 -13.491 1.015 1.00 1.00 H new ATOM 954 N HIS A 63 -3.435 -14.482 -4.111 1.00 1.00 N ATOM 955 CA HIS A 63 -4.746 -14.533 -4.742 1.00 1.00 C ATOM 956 C HIS A 63 -4.628 -14.257 -6.235 1.00 1.00 C ATOM 957 O HIS A 63 -5.454 -13.554 -6.817 1.00 1.00 O ATOM 958 CB HIS A 63 -5.672 -13.502 -4.097 1.00 1.00 C ATOM 959 CG HIS A 63 -7.096 -13.976 -4.193 1.00 1.00 C ATOM 960 ND1 HIS A 63 -7.906 -13.670 -5.276 1.00 1.00 N ATOM 961 CD2 HIS A 63 -7.869 -14.735 -3.349 1.00 1.00 C ATOM 962 CE1 HIS A 63 -9.107 -14.238 -5.057 1.00 1.00 C ATOM 963 NE2 HIS A 63 -9.138 -14.899 -3.897 1.00 1.00 N ATOM 0 H HIS A 63 -3.221 -15.277 -3.509 1.00 1.00 H new ATOM 0 HA HIS A 63 -5.163 -15.530 -4.602 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -5.397 -13.353 -3.053 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -5.564 -12.539 -4.595 1.00 1.00 H new ATOM 0 HD1 HIS A 63 -7.640 -13.116 -6.090 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -7.542 -15.143 -2.404 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -9.943 -14.168 -5.737 1.00 1.00 H new ATOM 971 N HIS A 64 -3.592 -14.817 -6.849 1.00 1.00 N ATOM 972 CA HIS A 64 -3.366 -14.629 -8.275 1.00 1.00 C ATOM 973 C HIS A 64 -3.633 -13.181 -8.674 1.00 1.00 C ATOM 974 O HIS A 64 -2.914 -12.315 -8.202 1.00 1.00 O ATOM 975 CB HIS A 64 -4.279 -15.558 -9.077 1.00 1.00 C ATOM 976 CG HIS A 64 -3.970 -16.988 -8.728 1.00 1.00 C ATOM 977 ND1 HIS A 64 -4.447 -17.587 -7.573 1.00 1.00 N ATOM 978 CD2 HIS A 64 -3.235 -17.952 -9.373 1.00 1.00 C ATOM 979 CE1 HIS A 64 -3.998 -18.856 -7.557 1.00 1.00 C ATOM 980 NE2 HIS A 64 -3.254 -19.130 -8.632 1.00 1.00 N ATOM 981 OXT HIS A 64 -4.551 -12.960 -9.445 1.00 1.00 O ATOM 0 H HIS A 64 -2.899 -15.402 -6.383 1.00 1.00 H new ATOM 0 HA HIS A 64 -2.325 -14.868 -8.492 1.00 1.00 H new ATOM 0 HB2 HIS A 64 -5.324 -15.337 -8.858 1.00 1.00 H new ATOM 0 HB3 HIS A 64 -4.135 -15.394 -10.145 1.00 1.00 H new ATOM 0 HD2 HIS A 64 -2.720 -17.817 -10.313 1.00 1.00 H new ATOM 0 HE1 HIS A 64 -4.213 -19.565 -6.772 1.00 1.00 H new ATOM 0 HE2 HIS A 64 -2.798 -20.013 -8.861 1.00 1.00 H new TER 989 HIS A 64