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 Set 1.1: A 56 LYS NZ :NH3+ 178:sc= -1.96 (180deg=0) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -172:sc= -2 (180deg=-0.219) USER MOD Set 2.1: A 44 THR OG1 : rot -69:sc= 1.11 USER MOD Set 2.2: A 46 ASN : amide:sc= -2.63 K(o=-1.5,f=0.19) USER MOD Single : A 1 MET CE :methyl 160:sc= 0 (180deg=-0.537) USER MOD Single : A 1 MET N :NH3+ -165:sc=-0.00652 (180deg=-0.263) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0.17) 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= 0.719 K(o=0.72,f=-0.28) USER MOD Single : A 16 GLN : amide:sc= -0.0326 K(o=-0.033,f=-1.2) USER MOD Single : A 17 SER OG : rot -114:sc= 0.923 USER MOD Single : A 19 CYS SG : rot 11:sc= -0.141 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.779 USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= -0.0234 (180deg=-0.268) USER MOD Single : A 26 SER OG : rot 180:sc= -0.364 USER MOD Single : A 27 SER OG : rot -60:sc= 1.24 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= 0.586 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.26) USER MOD Single : A 60 HIS : no HD1:sc= -0.0362 X(o=-0.036,f=-0.0093) USER MOD Single : A 61 HIS : no HE2:sc= -3.59! K(o=-3.6!,f=-4.2) USER MOD Single : A 62 HIS : no HD1:sc= -0.762 X(o=-0.76,f=-0.32) USER MOD Single : A 63 HIS : no HD1:sc= -0.585 K(o=-0.59,f=-0.077) USER MOD Single : A 64 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 58.562 3.318 9.221 1.00 1.00 N ATOM 2 CA MET A 1 59.649 3.178 8.210 1.00 1.00 C ATOM 3 C MET A 1 59.180 2.263 7.085 1.00 1.00 C ATOM 4 O MET A 1 59.545 2.452 5.925 1.00 1.00 O ATOM 5 CB MET A 1 60.892 2.589 8.881 1.00 1.00 C ATOM 6 CG MET A 1 61.695 3.709 9.543 1.00 1.00 C ATOM 7 SD MET A 1 62.530 3.064 11.014 1.00 1.00 S ATOM 8 CE MET A 1 63.546 1.824 10.173 1.00 1.00 C ATOM 0 H1 MET A 1 58.770 4.123 9.846 1.00 1.00 H new ATOM 0 H2 MET A 1 57.656 3.481 8.737 1.00 1.00 H new ATOM 0 H3 MET A 1 58.500 2.448 9.787 1.00 1.00 H new ATOM 0 HA MET A 1 59.895 4.155 7.795 1.00 1.00 H new ATOM 0 HB2 MET A 1 60.600 1.848 9.625 1.00 1.00 H new ATOM 0 HB3 MET A 1 61.507 2.074 8.143 1.00 1.00 H new ATOM 0 HG2 MET A 1 62.427 4.109 8.842 1.00 1.00 H new ATOM 0 HG3 MET A 1 61.034 4.531 9.818 1.00 1.00 H new ATOM 0 HE1 MET A 1 64.386 1.549 10.810 1.00 1.00 H new ATOM 0 HE2 MET A 1 62.943 0.940 9.966 1.00 1.00 H new ATOM 0 HE3 MET A 1 63.921 2.236 9.236 1.00 1.00 H new ATOM 20 N GLU A 2 58.369 1.270 7.437 1.00 1.00 N ATOM 21 CA GLU A 2 57.856 0.329 6.446 1.00 1.00 C ATOM 22 C GLU A 2 59.002 -0.303 5.663 1.00 1.00 C ATOM 23 O GLU A 2 59.457 0.246 4.659 1.00 1.00 O ATOM 24 CB GLU A 2 56.911 1.050 5.482 1.00 1.00 C ATOM 25 CG GLU A 2 55.694 1.569 6.250 1.00 1.00 C ATOM 26 CD GLU A 2 54.565 0.546 6.191 1.00 1.00 C ATOM 27 OE1 GLU A 2 54.604 -0.396 6.965 1.00 1.00 O ATOM 28 OE2 GLU A 2 53.678 0.720 5.371 1.00 1.00 O ATOM 0 H GLU A 2 58.055 1.096 8.392 1.00 1.00 H new ATOM 0 HA GLU A 2 57.311 -0.458 6.967 1.00 1.00 H new ATOM 0 HB2 GLU A 2 57.430 1.878 4.999 1.00 1.00 H new ATOM 0 HB3 GLU A 2 56.592 0.370 4.692 1.00 1.00 H new ATOM 0 HG2 GLU A 2 55.965 1.765 7.288 1.00 1.00 H new ATOM 0 HG3 GLU A 2 55.361 2.515 5.824 1.00 1.00 H new ATOM 35 N GLU A 3 59.463 -1.458 6.128 1.00 1.00 N ATOM 36 CA GLU A 3 60.557 -2.156 5.462 1.00 1.00 C ATOM 37 C GLU A 3 60.021 -3.303 4.610 1.00 1.00 C ATOM 38 O GLU A 3 60.776 -4.173 4.177 1.00 1.00 O ATOM 39 CB GLU A 3 61.537 -2.705 6.501 1.00 1.00 C ATOM 40 CG GLU A 3 60.840 -3.775 7.345 1.00 1.00 C ATOM 41 CD GLU A 3 61.185 -3.585 8.818 1.00 1.00 C ATOM 42 OE1 GLU A 3 62.289 -3.938 9.198 1.00 1.00 O ATOM 43 OE2 GLU A 3 60.339 -3.090 9.543 1.00 1.00 O ATOM 0 H GLU A 3 59.100 -1.928 6.957 1.00 1.00 H new ATOM 0 HA GLU A 3 61.074 -1.447 4.815 1.00 1.00 H new ATOM 0 HB2 GLU A 3 62.410 -3.130 6.005 1.00 1.00 H new ATOM 0 HB3 GLU A 3 61.895 -1.898 7.141 1.00 1.00 H new ATOM 0 HG2 GLU A 3 59.761 -3.714 7.205 1.00 1.00 H new ATOM 0 HG3 GLU A 3 61.149 -4.767 7.016 1.00 1.00 H new ATOM 50 N GLY A 4 58.713 -3.297 4.375 1.00 1.00 N ATOM 51 CA GLY A 4 58.087 -4.342 3.573 1.00 1.00 C ATOM 52 C GLY A 4 58.368 -4.132 2.089 1.00 1.00 C ATOM 53 O GLY A 4 59.509 -3.903 1.690 1.00 1.00 O ATOM 0 H GLY A 4 58.070 -2.586 4.725 1.00 1.00 H new ATOM 0 HA2 GLY A 4 58.461 -5.317 3.883 1.00 1.00 H new ATOM 0 HA3 GLY A 4 57.011 -4.344 3.747 1.00 1.00 H new ATOM 57 N GLY A 5 57.318 -4.212 1.277 1.00 1.00 N ATOM 58 CA GLY A 5 57.464 -4.029 -0.163 1.00 1.00 C ATOM 59 C GLY A 5 56.126 -3.684 -0.806 1.00 1.00 C ATOM 60 O GLY A 5 55.359 -4.571 -1.180 1.00 1.00 O ATOM 0 H GLY A 5 56.365 -4.401 1.588 1.00 1.00 H new ATOM 0 HA2 GLY A 5 58.183 -3.234 -0.362 1.00 1.00 H new ATOM 0 HA3 GLY A 5 57.863 -4.939 -0.611 1.00 1.00 H new ATOM 64 N ASP A 6 55.852 -2.389 -0.931 1.00 1.00 N ATOM 65 CA ASP A 6 54.601 -1.938 -1.531 1.00 1.00 C ATOM 66 C ASP A 6 54.818 -0.644 -2.309 1.00 1.00 C ATOM 67 O ASP A 6 54.535 -0.573 -3.505 1.00 1.00 O ATOM 68 CB ASP A 6 53.552 -1.711 -0.442 1.00 1.00 C ATOM 69 CG ASP A 6 52.509 -2.822 -0.484 1.00 1.00 C ATOM 70 OD1 ASP A 6 52.739 -3.848 0.135 1.00 1.00 O ATOM 71 OD2 ASP A 6 51.494 -2.632 -1.135 1.00 1.00 O ATOM 0 H ASP A 6 56.473 -1.639 -0.628 1.00 1.00 H new ATOM 0 HA ASP A 6 54.250 -2.708 -2.218 1.00 1.00 H new ATOM 0 HB2 ASP A 6 54.031 -1.687 0.537 1.00 1.00 H new ATOM 0 HB3 ASP A 6 53.071 -0.743 -0.585 1.00 1.00 H new ATOM 76 N PHE A 7 55.321 0.377 -1.622 1.00 1.00 N ATOM 77 CA PHE A 7 55.572 1.664 -2.260 1.00 1.00 C ATOM 78 C PHE A 7 54.265 2.289 -2.737 1.00 1.00 C ATOM 79 O PHE A 7 54.184 2.801 -3.854 1.00 1.00 O ATOM 80 CB PHE A 7 56.517 1.483 -3.450 1.00 1.00 C ATOM 81 CG PHE A 7 57.430 0.308 -3.194 1.00 1.00 C ATOM 82 CD1 PHE A 7 58.045 0.158 -1.944 1.00 1.00 C ATOM 83 CD2 PHE A 7 57.661 -0.632 -4.204 1.00 1.00 C ATOM 84 CE1 PHE A 7 58.890 -0.932 -1.707 1.00 1.00 C ATOM 85 CE2 PHE A 7 58.508 -1.722 -3.967 1.00 1.00 C ATOM 86 CZ PHE A 7 59.122 -1.872 -2.718 1.00 1.00 C ATOM 0 H PHE A 7 55.561 0.339 -0.631 1.00 1.00 H new ATOM 0 HA PHE A 7 56.033 2.327 -1.528 1.00 1.00 H new ATOM 0 HB2 PHE A 7 55.943 1.319 -4.362 1.00 1.00 H new ATOM 0 HB3 PHE A 7 57.105 2.388 -3.602 1.00 1.00 H new ATOM 0 HD1 PHE A 7 57.867 0.883 -1.164 1.00 1.00 H new ATOM 0 HD2 PHE A 7 57.186 -0.517 -5.167 1.00 1.00 H new ATOM 0 HE1 PHE A 7 59.364 -1.048 -0.743 1.00 1.00 H new ATOM 0 HE2 PHE A 7 58.687 -2.447 -4.748 1.00 1.00 H new ATOM 0 HZ PHE A 7 59.775 -2.713 -2.534 1.00 1.00 H new ATOM 96 N ASP A 8 53.247 2.243 -1.880 1.00 1.00 N ATOM 97 CA ASP A 8 51.943 2.806 -2.216 1.00 1.00 C ATOM 98 C ASP A 8 51.544 3.872 -1.201 1.00 1.00 C ATOM 99 O ASP A 8 50.389 3.947 -0.785 1.00 1.00 O ATOM 100 CB ASP A 8 50.887 1.698 -2.236 1.00 1.00 C ATOM 101 CG ASP A 8 50.495 1.324 -0.811 1.00 1.00 C ATOM 102 OD1 ASP A 8 51.291 1.563 0.083 1.00 1.00 O ATOM 103 OD2 ASP A 8 49.406 0.805 -0.634 1.00 1.00 O ATOM 0 H ASP A 8 53.300 1.823 -0.952 1.00 1.00 H new ATOM 0 HA ASP A 8 52.008 3.265 -3.203 1.00 1.00 H new ATOM 0 HB2 ASP A 8 50.008 2.032 -2.788 1.00 1.00 H new ATOM 0 HB3 ASP A 8 51.276 0.823 -2.756 1.00 1.00 H new ATOM 108 N ASN A 9 52.510 4.697 -0.808 1.00 1.00 N ATOM 109 CA ASN A 9 52.249 5.757 0.159 1.00 1.00 C ATOM 110 C ASN A 9 52.947 7.047 -0.259 1.00 1.00 C ATOM 111 O ASN A 9 52.307 7.983 -0.737 1.00 1.00 O ATOM 112 CB ASN A 9 52.742 5.334 1.544 1.00 1.00 C ATOM 113 CG ASN A 9 51.572 4.827 2.381 1.00 1.00 C ATOM 114 OD1 ASN A 9 51.196 3.659 2.280 1.00 1.00 O ATOM 115 ND2 ASN A 9 50.972 5.639 3.208 1.00 1.00 N ATOM 0 H ASN A 9 53.473 4.653 -1.141 1.00 1.00 H new ATOM 0 HA ASN A 9 51.174 5.934 0.195 1.00 1.00 H new ATOM 0 HB2 ASN A 9 53.496 4.553 1.448 1.00 1.00 H new ATOM 0 HB3 ASN A 9 53.218 6.178 2.043 1.00 1.00 H new ATOM 0 HD21 ASN A 9 50.190 5.306 3.772 1.00 1.00 H new ATOM 0 HD22 ASN A 9 51.285 6.606 3.290 1.00 1.00 H new ATOM 122 N TYR A 10 54.263 7.088 -0.076 1.00 1.00 N ATOM 123 CA TYR A 10 55.038 8.269 -0.438 1.00 1.00 C ATOM 124 C TYR A 10 55.694 8.081 -1.803 1.00 1.00 C ATOM 125 O TYR A 10 56.100 9.051 -2.444 1.00 1.00 O ATOM 126 CB TYR A 10 56.115 8.530 0.615 1.00 1.00 C ATOM 127 CG TYR A 10 55.528 9.340 1.746 1.00 1.00 C ATOM 128 CD1 TYR A 10 54.936 8.692 2.837 1.00 1.00 C ATOM 129 CD2 TYR A 10 55.576 10.739 1.704 1.00 1.00 C ATOM 130 CE1 TYR A 10 54.393 9.444 3.886 1.00 1.00 C ATOM 131 CE2 TYR A 10 55.033 11.489 2.753 1.00 1.00 C ATOM 132 CZ TYR A 10 54.441 10.842 3.844 1.00 1.00 C ATOM 133 OH TYR A 10 53.905 11.583 4.878 1.00 1.00 O ATOM 0 H TYR A 10 54.811 6.323 0.318 1.00 1.00 H new ATOM 0 HA TYR A 10 54.362 9.123 -0.486 1.00 1.00 H new ATOM 0 HB2 TYR A 10 56.504 7.585 0.994 1.00 1.00 H new ATOM 0 HB3 TYR A 10 56.954 9.064 0.168 1.00 1.00 H new ATOM 0 HD1 TYR A 10 54.898 7.613 2.869 1.00 1.00 H new ATOM 0 HD2 TYR A 10 56.032 11.239 0.862 1.00 1.00 H new ATOM 0 HE1 TYR A 10 53.937 8.945 4.728 1.00 1.00 H new ATOM 0 HE2 TYR A 10 55.071 12.568 2.721 1.00 1.00 H new ATOM 0 HH TYR A 10 54.023 12.538 4.692 1.00 1.00 H new ATOM 143 N TYR A 11 55.791 6.827 -2.240 1.00 1.00 N ATOM 144 CA TYR A 11 56.398 6.515 -3.532 1.00 1.00 C ATOM 145 C TYR A 11 57.607 7.406 -3.793 1.00 1.00 C ATOM 146 O TYR A 11 57.814 7.879 -4.910 1.00 1.00 O ATOM 147 CB TYR A 11 55.376 6.697 -4.655 1.00 1.00 C ATOM 148 CG TYR A 11 54.640 8.002 -4.467 1.00 1.00 C ATOM 149 CD1 TYR A 11 53.496 8.050 -3.660 1.00 1.00 C ATOM 150 CD2 TYR A 11 55.101 9.164 -5.096 1.00 1.00 C ATOM 151 CE1 TYR A 11 52.813 9.260 -3.484 1.00 1.00 C ATOM 152 CE2 TYR A 11 54.419 10.374 -4.920 1.00 1.00 C ATOM 153 CZ TYR A 11 53.275 10.422 -4.114 1.00 1.00 C ATOM 154 OH TYR A 11 52.603 11.614 -3.941 1.00 1.00 O ATOM 0 H TYR A 11 55.459 6.014 -1.721 1.00 1.00 H new ATOM 0 HA TYR A 11 56.727 5.476 -3.508 1.00 1.00 H new ATOM 0 HB2 TYR A 11 55.879 6.688 -5.622 1.00 1.00 H new ATOM 0 HB3 TYR A 11 54.670 5.867 -4.655 1.00 1.00 H new ATOM 0 HD1 TYR A 11 53.141 7.154 -3.173 1.00 1.00 H new ATOM 0 HD2 TYR A 11 55.983 9.127 -5.718 1.00 1.00 H new ATOM 0 HE1 TYR A 11 51.930 9.297 -2.863 1.00 1.00 H new ATOM 0 HE2 TYR A 11 54.775 11.270 -5.406 1.00 1.00 H new ATOM 0 HH TYR A 11 53.056 12.321 -4.446 1.00 1.00 H new ATOM 164 N GLY A 12 58.402 7.630 -2.754 1.00 1.00 N ATOM 165 CA GLY A 12 59.590 8.466 -2.877 1.00 1.00 C ATOM 166 C GLY A 12 60.599 8.145 -1.779 1.00 1.00 C ATOM 167 O GLY A 12 61.766 7.867 -2.058 1.00 1.00 O ATOM 0 H GLY A 12 58.247 7.247 -1.821 1.00 1.00 H new ATOM 0 HA2 GLY A 12 60.048 8.312 -3.854 1.00 1.00 H new ATOM 0 HA3 GLY A 12 59.307 9.517 -2.820 1.00 1.00 H new ATOM 171 N ALA A 13 60.142 8.184 -0.533 1.00 1.00 N ATOM 172 CA ALA A 13 61.014 7.895 0.600 1.00 1.00 C ATOM 173 C ALA A 13 60.832 6.454 1.063 1.00 1.00 C ATOM 174 O ALA A 13 60.912 6.159 2.255 1.00 1.00 O ATOM 175 CB ALA A 13 60.703 8.847 1.756 1.00 1.00 C ATOM 0 H ALA A 13 59.180 8.411 -0.282 1.00 1.00 H new ATOM 0 HA ALA A 13 62.047 8.035 0.283 1.00 1.00 H new ATOM 0 HB1 ALA A 13 61.359 8.624 2.598 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.864 9.876 1.433 1.00 1.00 H new ATOM 0 HB3 ALA A 13 59.664 8.721 2.062 1.00 1.00 H new ATOM 181 N ASP A 14 60.586 5.559 0.112 1.00 1.00 N ATOM 182 CA ASP A 14 60.394 4.149 0.433 1.00 1.00 C ATOM 183 C ASP A 14 61.658 3.353 0.129 1.00 1.00 C ATOM 184 O ASP A 14 61.608 2.137 -0.055 1.00 1.00 O ATOM 185 CB ASP A 14 59.225 3.584 -0.377 1.00 1.00 C ATOM 186 CG ASP A 14 58.263 2.843 0.545 1.00 1.00 C ATOM 187 OD1 ASP A 14 58.721 1.991 1.287 1.00 1.00 O ATOM 188 OD2 ASP A 14 57.079 3.139 0.494 1.00 1.00 O ATOM 0 H ASP A 14 60.515 5.782 -0.881 1.00 1.00 H new ATOM 0 HA ASP A 14 60.173 4.065 1.497 1.00 1.00 H new ATOM 0 HB2 ASP A 14 58.702 4.392 -0.889 1.00 1.00 H new ATOM 0 HB3 ASP A 14 59.598 2.908 -1.147 1.00 1.00 H new ATOM 193 N ASN A 15 62.791 4.046 0.078 1.00 1.00 N ATOM 194 CA ASN A 15 64.063 3.392 -0.203 1.00 1.00 C ATOM 195 C ASN A 15 64.542 2.603 1.011 1.00 1.00 C ATOM 196 O ASN A 15 65.705 2.696 1.403 1.00 1.00 O ATOM 197 CB ASN A 15 65.115 4.436 -0.583 1.00 1.00 C ATOM 198 CG ASN A 15 66.234 3.782 -1.386 1.00 1.00 C ATOM 199 OD1 ASN A 15 66.278 3.910 -2.609 1.00 1.00 O ATOM 200 ND2 ASN A 15 67.146 3.084 -0.767 1.00 1.00 N ATOM 0 H ASN A 15 62.854 5.053 0.226 1.00 1.00 H new ATOM 0 HA ASN A 15 63.918 2.703 -1.035 1.00 1.00 H new ATOM 0 HB2 ASN A 15 64.654 5.232 -1.168 1.00 1.00 H new ATOM 0 HB3 ASN A 15 65.523 4.897 0.317 1.00 1.00 H new ATOM 0 HD21 ASN A 15 67.898 2.643 -1.297 1.00 1.00 H new ATOM 0 HD22 ASN A 15 67.107 2.979 0.247 1.00 1.00 H new ATOM 207 N GLN A 16 63.636 1.829 1.601 1.00 1.00 N ATOM 208 CA GLN A 16 63.971 1.025 2.772 1.00 1.00 C ATOM 209 C GLN A 16 63.484 -0.410 2.593 1.00 1.00 C ATOM 210 O GLN A 16 63.071 -1.059 3.553 1.00 1.00 O ATOM 211 CB GLN A 16 63.330 1.630 4.023 1.00 1.00 C ATOM 212 CG GLN A 16 63.981 2.979 4.333 1.00 1.00 C ATOM 213 CD GLN A 16 62.911 4.060 4.447 1.00 1.00 C ATOM 214 OE1 GLN A 16 62.417 4.333 5.541 1.00 1.00 O ATOM 215 NE2 GLN A 16 62.522 4.696 3.375 1.00 1.00 N ATOM 0 H GLN A 16 62.669 1.741 1.289 1.00 1.00 H new ATOM 0 HA GLN A 16 65.055 1.018 2.887 1.00 1.00 H new ATOM 0 HB2 GLN A 16 62.259 1.759 3.869 1.00 1.00 H new ATOM 0 HB3 GLN A 16 63.451 0.954 4.869 1.00 1.00 H new ATOM 0 HG2 GLN A 16 64.545 2.915 5.263 1.00 1.00 H new ATOM 0 HG3 GLN A 16 64.690 3.239 3.547 1.00 1.00 H new ATOM 0 HE21 GLN A 16 62.933 4.468 2.470 1.00 1.00 H new ATOM 0 HE22 GLN A 16 61.807 5.421 3.443 1.00 1.00 H new ATOM 224 N SER A 17 63.534 -0.896 1.357 1.00 1.00 N ATOM 225 CA SER A 17 63.095 -2.255 1.064 1.00 1.00 C ATOM 226 C SER A 17 64.060 -2.932 0.096 1.00 1.00 C ATOM 227 O SER A 17 64.421 -4.095 0.277 1.00 1.00 O ATOM 228 CB SER A 17 61.692 -2.231 0.455 1.00 1.00 C ATOM 229 OG SER A 17 60.817 -1.526 1.325 1.00 1.00 O ATOM 0 H SER A 17 63.871 -0.374 0.548 1.00 1.00 H new ATOM 0 HA SER A 17 63.076 -2.820 1.996 1.00 1.00 H new ATOM 0 HB2 SER A 17 61.715 -1.751 -0.524 1.00 1.00 H new ATOM 0 HB3 SER A 17 61.331 -3.248 0.303 1.00 1.00 H new ATOM 0 HG SER A 17 60.141 -2.142 1.679 1.00 1.00 H new ATOM 235 N GLU A 18 64.474 -2.197 -0.930 1.00 1.00 N ATOM 236 CA GLU A 18 65.398 -2.736 -1.921 1.00 1.00 C ATOM 237 C GLU A 18 64.974 -4.138 -2.345 1.00 1.00 C ATOM 238 O GLU A 18 65.288 -5.122 -1.674 1.00 1.00 O ATOM 239 CB GLU A 18 66.814 -2.781 -1.343 1.00 1.00 C ATOM 240 CG GLU A 18 67.835 -2.732 -2.482 1.00 1.00 C ATOM 241 CD GLU A 18 67.633 -3.919 -3.418 1.00 1.00 C ATOM 242 OE1 GLU A 18 66.807 -3.813 -4.308 1.00 1.00 O ATOM 243 OE2 GLU A 18 68.309 -4.918 -3.229 1.00 1.00 O ATOM 0 H GLU A 18 64.187 -1.233 -1.097 1.00 1.00 H new ATOM 0 HA GLU A 18 65.383 -2.086 -2.796 1.00 1.00 H new ATOM 0 HB2 GLU A 18 66.968 -1.941 -0.666 1.00 1.00 H new ATOM 0 HB3 GLU A 18 66.950 -3.691 -0.758 1.00 1.00 H new ATOM 0 HG2 GLU A 18 67.729 -1.800 -3.036 1.00 1.00 H new ATOM 0 HG3 GLU A 18 68.846 -2.747 -2.075 1.00 1.00 H new ATOM 250 N CYS A 19 64.259 -4.223 -3.463 1.00 1.00 N ATOM 251 CA CYS A 19 63.798 -5.511 -3.966 1.00 1.00 C ATOM 252 C CYS A 19 63.554 -5.441 -5.471 1.00 1.00 C ATOM 253 O CYS A 19 62.834 -6.267 -6.031 1.00 1.00 O ATOM 254 CB CYS A 19 62.506 -5.918 -3.256 1.00 1.00 C ATOM 255 SG CYS A 19 62.871 -6.330 -1.531 1.00 1.00 S ATOM 0 H CYS A 19 63.988 -3.422 -4.033 1.00 1.00 H new ATOM 0 HA CYS A 19 64.570 -6.255 -3.768 1.00 1.00 H new ATOM 0 HB2 CYS A 19 61.781 -5.105 -3.302 1.00 1.00 H new ATOM 0 HB3 CYS A 19 62.056 -6.774 -3.759 1.00 1.00 H new ATOM 0 HG CYS A 19 64.087 -5.969 -1.247 1.00 1.00 H new ATOM 261 N GLU A 20 64.159 -4.451 -6.118 1.00 1.00 N ATOM 262 CA GLU A 20 64.001 -4.283 -7.558 1.00 1.00 C ATOM 263 C GLU A 20 65.195 -4.873 -8.301 1.00 1.00 C ATOM 264 O GLU A 20 65.654 -4.317 -9.298 1.00 1.00 O ATOM 265 CB GLU A 20 63.867 -2.798 -7.899 1.00 1.00 C ATOM 266 CG GLU A 20 62.738 -2.182 -7.071 1.00 1.00 C ATOM 267 CD GLU A 20 62.411 -0.786 -7.591 1.00 1.00 C ATOM 268 OE1 GLU A 20 61.735 -0.697 -8.603 1.00 1.00 O ATOM 269 OE2 GLU A 20 62.841 0.172 -6.971 1.00 1.00 O ATOM 0 H GLU A 20 64.759 -3.757 -5.672 1.00 1.00 H new ATOM 0 HA GLU A 20 63.099 -4.809 -7.869 1.00 1.00 H new ATOM 0 HB2 GLU A 20 64.805 -2.281 -7.695 1.00 1.00 H new ATOM 0 HB3 GLU A 20 63.660 -2.676 -8.962 1.00 1.00 H new ATOM 0 HG2 GLU A 20 61.852 -2.815 -7.122 1.00 1.00 H new ATOM 0 HG3 GLU A 20 63.032 -2.129 -6.023 1.00 1.00 H new ATOM 276 N TYR A 21 65.693 -6.002 -7.807 1.00 1.00 N ATOM 277 CA TYR A 21 66.835 -6.658 -8.432 1.00 1.00 C ATOM 278 C TYR A 21 66.374 -7.832 -9.292 1.00 1.00 C ATOM 279 O TYR A 21 66.537 -7.822 -10.511 1.00 1.00 O ATOM 280 CB TYR A 21 67.802 -7.159 -7.358 1.00 1.00 C ATOM 281 CG TYR A 21 68.939 -6.177 -7.205 1.00 1.00 C ATOM 282 CD1 TYR A 21 68.671 -4.806 -7.113 1.00 1.00 C ATOM 283 CD2 TYR A 21 70.260 -6.637 -7.152 1.00 1.00 C ATOM 284 CE1 TYR A 21 69.725 -3.895 -6.971 1.00 1.00 C ATOM 285 CE2 TYR A 21 71.313 -5.727 -7.010 1.00 1.00 C ATOM 286 CZ TYR A 21 71.045 -4.355 -6.919 1.00 1.00 C ATOM 287 OH TYR A 21 72.084 -3.457 -6.778 1.00 1.00 O ATOM 0 H TYR A 21 65.327 -6.478 -6.983 1.00 1.00 H new ATOM 0 HA TYR A 21 67.343 -5.933 -9.068 1.00 1.00 H new ATOM 0 HB2 TYR A 21 67.279 -7.276 -6.409 1.00 1.00 H new ATOM 0 HB3 TYR A 21 68.190 -8.140 -7.632 1.00 1.00 H new ATOM 0 HD1 TYR A 21 67.652 -4.451 -7.152 1.00 1.00 H new ATOM 0 HD2 TYR A 21 70.466 -7.695 -7.221 1.00 1.00 H new ATOM 0 HE1 TYR A 21 69.519 -2.837 -6.902 1.00 1.00 H new ATOM 0 HE2 TYR A 21 72.332 -6.082 -6.971 1.00 1.00 H new ATOM 0 HH TYR A 21 72.935 -3.942 -6.758 1.00 1.00 H new ATOM 297 N THR A 22 65.798 -8.840 -8.646 1.00 1.00 N ATOM 298 CA THR A 22 65.317 -10.017 -9.362 1.00 1.00 C ATOM 299 C THR A 22 64.270 -10.757 -8.535 1.00 1.00 C ATOM 300 O THR A 22 64.193 -11.984 -8.570 1.00 1.00 O ATOM 301 CB THR A 22 66.486 -10.956 -9.669 1.00 1.00 C ATOM 302 OG1 THR A 22 67.646 -10.187 -9.955 1.00 1.00 O ATOM 303 CG2 THR A 22 66.138 -11.828 -10.876 1.00 1.00 C ATOM 0 H THR A 22 65.653 -8.867 -7.637 1.00 1.00 H new ATOM 0 HA THR A 22 64.860 -9.689 -10.296 1.00 1.00 H new ATOM 0 HB THR A 22 66.677 -11.594 -8.806 1.00 1.00 H new ATOM 0 HG1 THR A 22 68.396 -10.787 -10.151 1.00 1.00 H new ATOM 0 HG21 THR A 22 66.971 -12.496 -11.094 1.00 1.00 H new ATOM 0 HG22 THR A 22 65.248 -12.417 -10.655 1.00 1.00 H new ATOM 0 HG23 THR A 22 65.947 -11.193 -11.741 1.00 1.00 H new ATOM 311 N ASP A 23 63.467 -10.001 -7.793 1.00 1.00 N ATOM 312 CA ASP A 23 62.428 -10.596 -6.960 1.00 1.00 C ATOM 313 C ASP A 23 61.187 -9.709 -6.936 1.00 1.00 C ATOM 314 O ASP A 23 60.330 -9.850 -6.065 1.00 1.00 O ATOM 315 CB ASP A 23 62.949 -10.790 -5.535 1.00 1.00 C ATOM 316 CG ASP A 23 63.701 -12.111 -5.428 1.00 1.00 C ATOM 317 OD1 ASP A 23 64.767 -12.213 -6.011 1.00 1.00 O ATOM 318 OD2 ASP A 23 63.198 -13.004 -4.765 1.00 1.00 O ATOM 0 H ASP A 23 63.515 -8.983 -7.751 1.00 1.00 H new ATOM 0 HA ASP A 23 62.159 -11.564 -7.382 1.00 1.00 H new ATOM 0 HB2 ASP A 23 63.608 -9.965 -5.265 1.00 1.00 H new ATOM 0 HB3 ASP A 23 62.117 -10.778 -4.831 1.00 1.00 H new ATOM 323 N TRP A 24 61.101 -8.795 -7.897 1.00 1.00 N ATOM 324 CA TRP A 24 59.959 -7.891 -7.975 1.00 1.00 C ATOM 325 C TRP A 24 58.956 -8.382 -9.014 1.00 1.00 C ATOM 326 O TRP A 24 57.783 -8.012 -8.980 1.00 1.00 O ATOM 327 CB TRP A 24 60.434 -6.485 -8.345 1.00 1.00 C ATOM 328 CG TRP A 24 61.264 -6.548 -9.587 1.00 1.00 C ATOM 329 CD1 TRP A 24 62.535 -7.007 -9.647 1.00 1.00 C ATOM 330 CD2 TRP A 24 60.907 -6.150 -10.942 1.00 1.00 C ATOM 331 NE1 TRP A 24 62.981 -6.917 -10.954 1.00 1.00 N ATOM 332 CE2 TRP A 24 62.014 -6.394 -11.789 1.00 1.00 C ATOM 333 CE3 TRP A 24 59.742 -5.606 -11.512 1.00 1.00 C ATOM 334 CZ2 TRP A 24 61.966 -6.109 -13.155 1.00 1.00 C ATOM 335 CZ3 TRP A 24 59.690 -5.319 -12.886 1.00 1.00 C ATOM 336 CH2 TRP A 24 60.801 -5.569 -13.705 1.00 1.00 C ATOM 0 H TRP A 24 61.801 -8.661 -8.626 1.00 1.00 H new ATOM 0 HA TRP A 24 59.471 -7.866 -7.001 1.00 1.00 H new ATOM 0 HB2 TRP A 24 59.577 -5.830 -8.501 1.00 1.00 H new ATOM 0 HB3 TRP A 24 61.016 -6.060 -7.527 1.00 1.00 H new ATOM 0 HD1 TRP A 24 63.108 -7.382 -8.812 1.00 1.00 H new ATOM 0 HE1 TRP A 24 63.910 -7.202 -11.263 1.00 1.00 H new ATOM 0 HE3 TRP A 24 58.882 -5.408 -10.889 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 62.823 -6.305 -13.782 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 58.790 -4.904 -13.314 1.00 1.00 H new ATOM 0 HH2 TRP A 24 60.756 -5.344 -14.760 1.00 1.00 H new ATOM 347 N LYS A 25 59.426 -9.215 -9.935 1.00 1.00 N ATOM 348 CA LYS A 25 58.559 -9.752 -10.980 1.00 1.00 C ATOM 349 C LYS A 25 58.131 -11.175 -10.640 1.00 1.00 C ATOM 350 O LYS A 25 57.631 -11.904 -11.497 1.00 1.00 O ATOM 351 CB LYS A 25 59.288 -9.741 -12.327 1.00 1.00 C ATOM 352 CG LYS A 25 60.780 -10.020 -12.115 1.00 1.00 C ATOM 353 CD LYS A 25 60.954 -11.348 -11.374 1.00 1.00 C ATOM 354 CE LYS A 25 62.400 -11.825 -11.520 1.00 1.00 C ATOM 355 NZ LYS A 25 62.610 -12.364 -12.893 1.00 1.00 N ATOM 0 H LYS A 25 60.394 -9.532 -9.981 1.00 1.00 H new ATOM 0 HA LYS A 25 57.671 -9.123 -11.047 1.00 1.00 H new ATOM 0 HB2 LYS A 25 58.859 -10.493 -12.989 1.00 1.00 H new ATOM 0 HB3 LYS A 25 59.155 -8.775 -12.814 1.00 1.00 H new ATOM 0 HG2 LYS A 25 61.293 -10.058 -13.076 1.00 1.00 H new ATOM 0 HG3 LYS A 25 61.234 -9.211 -11.543 1.00 1.00 H new ATOM 0 HD2 LYS A 25 60.705 -11.225 -10.320 1.00 1.00 H new ATOM 0 HD3 LYS A 25 60.270 -12.095 -11.778 1.00 1.00 H new ATOM 0 HE2 LYS A 25 63.087 -11.000 -11.333 1.00 1.00 H new ATOM 0 HE3 LYS A 25 62.617 -12.594 -10.779 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 63.437 -12.995 -12.896 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 61.767 -12.896 -13.190 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 62.773 -11.577 -13.554 1.00 1.00 H new ATOM 369 N SER A 26 58.330 -11.564 -9.386 1.00 1.00 N ATOM 370 CA SER A 26 57.959 -12.903 -8.942 1.00 1.00 C ATOM 371 C SER A 26 57.532 -12.883 -7.479 1.00 1.00 C ATOM 372 O SER A 26 56.345 -12.973 -7.166 1.00 1.00 O ATOM 373 CB SER A 26 59.141 -13.857 -9.118 1.00 1.00 C ATOM 374 OG SER A 26 59.134 -14.812 -8.065 1.00 1.00 O ATOM 0 H SER A 26 58.743 -10.976 -8.662 1.00 1.00 H new ATOM 0 HA SER A 26 57.121 -13.248 -9.548 1.00 1.00 H new ATOM 0 HB2 SER A 26 59.076 -14.361 -10.082 1.00 1.00 H new ATOM 0 HB3 SER A 26 60.077 -13.299 -9.112 1.00 1.00 H new ATOM 0 HG SER A 26 59.889 -15.426 -8.176 1.00 1.00 H new ATOM 380 N SER A 27 58.508 -12.761 -6.584 1.00 1.00 N ATOM 381 CA SER A 27 58.220 -12.728 -5.155 1.00 1.00 C ATOM 382 C SER A 27 57.646 -11.372 -4.757 1.00 1.00 C ATOM 383 O SER A 27 57.796 -10.934 -3.618 1.00 1.00 O ATOM 384 CB SER A 27 59.497 -12.998 -4.359 1.00 1.00 C ATOM 385 OG SER A 27 59.217 -12.884 -2.970 1.00 1.00 O ATOM 0 H SER A 27 59.497 -12.684 -6.821 1.00 1.00 H new ATOM 0 HA SER A 27 57.484 -13.501 -4.933 1.00 1.00 H new ATOM 0 HB2 SER A 27 59.876 -13.995 -4.585 1.00 1.00 H new ATOM 0 HB3 SER A 27 60.274 -12.289 -4.645 1.00 1.00 H new ATOM 0 HG SER A 27 58.893 -11.980 -2.775 1.00 1.00 H new ATOM 391 N GLY A 28 56.988 -10.713 -5.706 1.00 1.00 N ATOM 392 CA GLY A 28 56.394 -9.406 -5.445 1.00 1.00 C ATOM 393 C GLY A 28 55.008 -9.304 -6.072 1.00 1.00 C ATOM 394 O GLY A 28 54.606 -8.239 -6.541 1.00 1.00 O ATOM 0 H GLY A 28 56.853 -11.059 -6.656 1.00 1.00 H new ATOM 0 HA2 GLY A 28 56.324 -9.242 -4.370 1.00 1.00 H new ATOM 0 HA3 GLY A 28 57.038 -8.623 -5.846 1.00 1.00 H new ATOM 398 N ALA A 29 54.282 -10.417 -6.075 1.00 1.00 N ATOM 399 CA ALA A 29 52.941 -10.441 -6.647 1.00 1.00 C ATOM 400 C ALA A 29 52.025 -11.335 -5.817 1.00 1.00 C ATOM 401 O ALA A 29 50.803 -11.282 -5.954 1.00 1.00 O ATOM 402 CB ALA A 29 52.996 -10.958 -8.085 1.00 1.00 C ATOM 0 H ALA A 29 54.597 -11.308 -5.691 1.00 1.00 H new ATOM 0 HA ALA A 29 52.544 -9.426 -6.642 1.00 1.00 H new ATOM 0 HB1 ALA A 29 51.990 -10.973 -8.505 1.00 1.00 H new ATOM 0 HB2 ALA A 29 53.629 -10.303 -8.683 1.00 1.00 H new ATOM 0 HB3 ALA A 29 53.408 -11.967 -8.093 1.00 1.00 H new ATOM 408 N LEU A 30 52.629 -12.152 -4.959 1.00 1.00 N ATOM 409 CA LEU A 30 51.865 -13.058 -4.106 1.00 1.00 C ATOM 410 C LEU A 30 51.981 -12.641 -2.644 1.00 1.00 C ATOM 411 O LEU A 30 51.148 -13.009 -1.815 1.00 1.00 O ATOM 412 CB LEU A 30 52.381 -14.489 -4.273 1.00 1.00 C ATOM 413 CG LEU A 30 52.380 -14.863 -5.756 1.00 1.00 C ATOM 414 CD1 LEU A 30 53.819 -14.907 -6.274 1.00 1.00 C ATOM 415 CD2 LEU A 30 51.733 -16.238 -5.934 1.00 1.00 C ATOM 0 H LEU A 30 53.640 -12.206 -4.836 1.00 1.00 H new ATOM 0 HA LEU A 30 50.817 -13.012 -4.403 1.00 1.00 H new ATOM 0 HB2 LEU A 30 53.389 -14.573 -3.867 1.00 1.00 H new ATOM 0 HB3 LEU A 30 51.753 -15.181 -3.712 1.00 1.00 H new ATOM 0 HG LEU A 30 51.815 -14.119 -6.317 1.00 1.00 H new ATOM 0 HD11 LEU A 30 53.817 -15.174 -7.331 1.00 1.00 H new ATOM 0 HD12 LEU A 30 54.281 -13.928 -6.147 1.00 1.00 H new ATOM 0 HD13 LEU A 30 54.385 -15.651 -5.713 1.00 1.00 H new ATOM 0 HD21 LEU A 30 51.732 -16.505 -6.991 1.00 1.00 H new ATOM 0 HD22 LEU A 30 52.298 -16.982 -5.372 1.00 1.00 H new ATOM 0 HD23 LEU A 30 50.707 -16.208 -5.566 1.00 1.00 H new ATOM 427 N ILE A 31 53.019 -11.870 -2.332 1.00 1.00 N ATOM 428 CA ILE A 31 53.231 -11.409 -0.965 1.00 1.00 C ATOM 429 C ILE A 31 52.251 -10.290 -0.590 1.00 1.00 C ATOM 430 O ILE A 31 51.821 -10.211 0.561 1.00 1.00 O ATOM 431 CB ILE A 31 54.680 -10.932 -0.787 1.00 1.00 C ATOM 432 CG1 ILE A 31 55.562 -12.130 -0.429 1.00 1.00 C ATOM 433 CG2 ILE A 31 54.758 -9.896 0.340 1.00 1.00 C ATOM 434 CD1 ILE A 31 55.423 -13.207 -1.506 1.00 1.00 C ATOM 0 H ILE A 31 53.721 -11.554 -3.001 1.00 1.00 H new ATOM 0 HA ILE A 31 53.046 -12.249 -0.295 1.00 1.00 H new ATOM 0 HB ILE A 31 55.024 -10.477 -1.716 1.00 1.00 H new ATOM 0 HG12 ILE A 31 56.603 -11.817 -0.345 1.00 1.00 H new ATOM 0 HG13 ILE A 31 55.271 -12.532 0.542 1.00 1.00 H new ATOM 0 HG21 ILE A 31 55.789 -9.564 0.458 1.00 1.00 H new ATOM 0 HG22 ILE A 31 54.128 -9.042 0.093 1.00 1.00 H new ATOM 0 HG23 ILE A 31 54.412 -10.345 1.271 1.00 1.00 H new ATOM 0 HD11 ILE A 31 56.051 -14.060 -1.251 1.00 1.00 H new ATOM 0 HD12 ILE A 31 54.383 -13.528 -1.568 1.00 1.00 H new ATOM 0 HD13 ILE A 31 55.735 -12.802 -2.468 1.00 1.00 H new ATOM 446 N PRO A 32 51.886 -9.428 -1.514 1.00 1.00 N ATOM 447 CA PRO A 32 50.943 -8.316 -1.233 1.00 1.00 C ATOM 448 C PRO A 32 49.489 -8.735 -1.432 1.00 1.00 C ATOM 449 O PRO A 32 48.630 -7.905 -1.728 1.00 1.00 O ATOM 450 CB PRO A 32 51.351 -7.255 -2.251 1.00 1.00 C ATOM 451 CG PRO A 32 51.897 -8.013 -3.422 1.00 1.00 C ATOM 452 CD PRO A 32 52.319 -9.403 -2.921 1.00 1.00 C ATOM 0 HA PRO A 32 50.996 -7.972 -0.200 1.00 1.00 H new ATOM 0 HB2 PRO A 32 50.498 -6.643 -2.543 1.00 1.00 H new ATOM 0 HB3 PRO A 32 52.100 -6.581 -1.836 1.00 1.00 H new ATOM 0 HG2 PRO A 32 51.144 -8.101 -4.206 1.00 1.00 H new ATOM 0 HG3 PRO A 32 52.748 -7.487 -3.855 1.00 1.00 H new ATOM 0 HD2 PRO A 32 51.843 -10.196 -3.498 1.00 1.00 H new ATOM 0 HD3 PRO A 32 53.396 -9.548 -3.009 1.00 1.00 H new ATOM 460 N ALA A 33 49.228 -10.030 -1.271 1.00 1.00 N ATOM 461 CA ALA A 33 47.877 -10.557 -1.439 1.00 1.00 C ATOM 462 C ALA A 33 47.499 -11.453 -0.264 1.00 1.00 C ATOM 463 O ALA A 33 46.374 -11.947 -0.188 1.00 1.00 O ATOM 464 CB ALA A 33 47.793 -11.358 -2.739 1.00 1.00 C ATOM 0 H ALA A 33 49.929 -10.729 -1.026 1.00 1.00 H new ATOM 0 HA ALA A 33 47.181 -9.719 -1.479 1.00 1.00 H new ATOM 0 HB1 ALA A 33 46.783 -11.750 -2.860 1.00 1.00 H new ATOM 0 HB2 ALA A 33 48.035 -10.710 -3.582 1.00 1.00 H new ATOM 0 HB3 ALA A 33 48.501 -12.186 -2.703 1.00 1.00 H new ATOM 470 N ILE A 34 48.445 -11.659 0.647 1.00 1.00 N ATOM 471 CA ILE A 34 48.200 -12.500 1.814 1.00 1.00 C ATOM 472 C ILE A 34 48.701 -11.817 3.081 1.00 1.00 C ATOM 473 O ILE A 34 47.925 -11.536 3.995 1.00 1.00 O ATOM 474 CB ILE A 34 48.908 -13.844 1.647 1.00 1.00 C ATOM 475 CG1 ILE A 34 49.803 -13.792 0.406 1.00 1.00 C ATOM 476 CG2 ILE A 34 47.868 -14.953 1.480 1.00 1.00 C ATOM 477 CD1 ILE A 34 50.608 -15.088 0.307 1.00 1.00 C ATOM 0 H ILE A 34 49.382 -11.258 0.601 1.00 1.00 H new ATOM 0 HA ILE A 34 47.126 -12.662 1.901 1.00 1.00 H new ATOM 0 HB ILE A 34 49.516 -14.049 2.528 1.00 1.00 H new ATOM 0 HG12 ILE A 34 49.195 -13.659 -0.489 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.476 -12.936 0.465 1.00 1.00 H new ATOM 0 HG21 ILE A 34 48.374 -15.911 1.361 1.00 1.00 H new ATOM 0 HG22 ILE A 34 47.228 -14.988 2.362 1.00 1.00 H new ATOM 0 HG23 ILE A 34 47.260 -14.752 0.598 1.00 1.00 H new ATOM 0 HD11 ILE A 34 51.246 -15.053 -0.576 1.00 1.00 H new ATOM 0 HD12 ILE A 34 51.226 -15.201 1.197 1.00 1.00 H new ATOM 0 HD13 ILE A 34 49.926 -15.935 0.229 1.00 1.00 H new ATOM 489 N TYR A 35 50.002 -11.552 3.130 1.00 1.00 N ATOM 490 CA TYR A 35 50.597 -10.900 4.292 1.00 1.00 C ATOM 491 C TYR A 35 49.797 -9.661 4.680 1.00 1.00 C ATOM 492 O TYR A 35 49.748 -9.283 5.850 1.00 1.00 O ATOM 493 CB TYR A 35 52.041 -10.501 3.985 1.00 1.00 C ATOM 494 CG TYR A 35 52.983 -11.538 4.551 1.00 1.00 C ATOM 495 CD1 TYR A 35 52.731 -12.900 4.342 1.00 1.00 C ATOM 496 CD2 TYR A 35 54.106 -11.138 5.283 1.00 1.00 C ATOM 497 CE1 TYR A 35 53.604 -13.861 4.866 1.00 1.00 C ATOM 498 CE2 TYR A 35 54.979 -12.099 5.807 1.00 1.00 C ATOM 499 CZ TYR A 35 54.729 -13.460 5.599 1.00 1.00 C ATOM 500 OH TYR A 35 55.589 -14.406 6.115 1.00 1.00 O ATOM 0 H TYR A 35 50.661 -11.776 2.385 1.00 1.00 H new ATOM 0 HA TYR A 35 50.584 -11.603 5.125 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.184 -10.414 2.908 1.00 1.00 H new ATOM 0 HB3 TYR A 35 52.259 -9.523 4.415 1.00 1.00 H new ATOM 0 HD1 TYR A 35 51.864 -13.209 3.777 1.00 1.00 H new ATOM 0 HD2 TYR A 35 54.300 -10.088 5.444 1.00 1.00 H new ATOM 0 HE1 TYR A 35 53.410 -14.911 4.705 1.00 1.00 H new ATOM 0 HE2 TYR A 35 55.846 -11.790 6.372 1.00 1.00 H new ATOM 0 HH TYR A 35 56.317 -13.959 6.595 1.00 1.00 H new ATOM 510 N MET A 36 49.172 -9.033 3.689 1.00 1.00 N ATOM 511 CA MET A 36 48.378 -7.836 3.937 1.00 1.00 C ATOM 512 C MET A 36 47.053 -8.197 4.600 1.00 1.00 C ATOM 513 O MET A 36 46.440 -7.371 5.276 1.00 1.00 O ATOM 514 CB MET A 36 48.109 -7.105 2.620 1.00 1.00 C ATOM 515 CG MET A 36 49.434 -6.826 1.909 1.00 1.00 C ATOM 516 SD MET A 36 50.382 -5.611 2.857 1.00 1.00 S ATOM 517 CE MET A 36 52.021 -6.314 2.549 1.00 1.00 C ATOM 0 H MET A 36 49.200 -9.331 2.714 1.00 1.00 H new ATOM 0 HA MET A 36 48.940 -7.184 4.606 1.00 1.00 H new ATOM 0 HB2 MET A 36 47.463 -7.708 1.983 1.00 1.00 H new ATOM 0 HB3 MET A 36 47.584 -6.170 2.812 1.00 1.00 H new ATOM 0 HG2 MET A 36 50.005 -7.749 1.806 1.00 1.00 H new ATOM 0 HG3 MET A 36 49.247 -6.452 0.902 1.00 1.00 H new ATOM 0 HE1 MET A 36 52.776 -5.710 3.052 1.00 1.00 H new ATOM 0 HE2 MET A 36 52.058 -7.334 2.933 1.00 1.00 H new ATOM 0 HE3 MET A 36 52.218 -6.323 1.477 1.00 1.00 H new ATOM 527 N LEU A 37 46.614 -9.435 4.400 1.00 1.00 N ATOM 528 CA LEU A 37 45.357 -9.894 4.980 1.00 1.00 C ATOM 529 C LEU A 37 45.573 -10.386 6.408 1.00 1.00 C ATOM 530 O LEU A 37 44.617 -10.711 7.113 1.00 1.00 O ATOM 531 CB LEU A 37 44.773 -11.027 4.132 1.00 1.00 C ATOM 532 CG LEU A 37 44.076 -10.448 2.892 1.00 1.00 C ATOM 533 CD1 LEU A 37 42.801 -9.694 3.294 1.00 1.00 C ATOM 534 CD2 LEU A 37 45.030 -9.484 2.182 1.00 1.00 C ATOM 0 H LEU A 37 47.106 -10.135 3.844 1.00 1.00 H new ATOM 0 HA LEU A 37 44.660 -9.056 4.998 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.566 -11.711 3.828 1.00 1.00 H new ATOM 0 HB3 LEU A 37 44.062 -11.605 4.722 1.00 1.00 H new ATOM 0 HG LEU A 37 43.805 -11.267 2.226 1.00 1.00 H new ATOM 0 HD11 LEU A 37 42.321 -9.291 2.403 1.00 1.00 H new ATOM 0 HD12 LEU A 37 42.117 -10.378 3.797 1.00 1.00 H new ATOM 0 HD13 LEU A 37 43.059 -8.877 3.968 1.00 1.00 H new ATOM 0 HD21 LEU A 37 44.540 -9.070 1.301 1.00 1.00 H new ATOM 0 HD22 LEU A 37 45.301 -8.675 2.860 1.00 1.00 H new ATOM 0 HD23 LEU A 37 45.930 -10.020 1.879 1.00 1.00 H new ATOM 546 N VAL A 38 46.833 -10.438 6.828 1.00 1.00 N ATOM 547 CA VAL A 38 47.161 -10.893 8.176 1.00 1.00 C ATOM 548 C VAL A 38 48.222 -9.996 8.803 1.00 1.00 C ATOM 549 O VAL A 38 47.952 -9.278 9.766 1.00 1.00 O ATOM 550 CB VAL A 38 47.672 -12.334 8.133 1.00 1.00 C ATOM 551 CG1 VAL A 38 46.645 -13.261 8.785 1.00 1.00 C ATOM 552 CG2 VAL A 38 47.888 -12.755 6.678 1.00 1.00 C ATOM 0 H VAL A 38 47.638 -10.173 6.261 1.00 1.00 H new ATOM 0 HA VAL A 38 46.256 -10.846 8.782 1.00 1.00 H new ATOM 0 HB VAL A 38 48.615 -12.400 8.675 1.00 1.00 H new ATOM 0 HG11 VAL A 38 47.010 -14.288 8.754 1.00 1.00 H new ATOM 0 HG12 VAL A 38 46.491 -12.962 9.822 1.00 1.00 H new ATOM 0 HG13 VAL A 38 45.701 -13.195 8.245 1.00 1.00 H new ATOM 0 HG21 VAL A 38 48.252 -13.782 6.647 1.00 1.00 H new ATOM 0 HG22 VAL A 38 46.945 -12.688 6.136 1.00 1.00 H new ATOM 0 HG23 VAL A 38 48.621 -12.096 6.213 1.00 1.00 H new ATOM 562 N PHE A 39 49.431 -10.043 8.251 1.00 1.00 N ATOM 563 CA PHE A 39 50.530 -9.232 8.763 1.00 1.00 C ATOM 564 C PHE A 39 50.042 -7.833 9.128 1.00 1.00 C ATOM 565 O PHE A 39 50.323 -7.332 10.216 1.00 1.00 O ATOM 566 CB PHE A 39 51.636 -9.131 7.712 1.00 1.00 C ATOM 567 CG PHE A 39 52.975 -9.010 8.398 1.00 1.00 C ATOM 568 CD1 PHE A 39 53.558 -10.133 8.998 1.00 1.00 C ATOM 569 CD2 PHE A 39 53.634 -7.775 8.435 1.00 1.00 C ATOM 570 CE1 PHE A 39 54.801 -10.021 9.634 1.00 1.00 C ATOM 571 CE2 PHE A 39 54.877 -7.663 9.070 1.00 1.00 C ATOM 572 CZ PHE A 39 55.460 -8.787 9.670 1.00 1.00 C ATOM 0 H PHE A 39 49.673 -10.631 7.453 1.00 1.00 H new ATOM 0 HA PHE A 39 50.923 -9.711 9.660 1.00 1.00 H new ATOM 0 HB2 PHE A 39 51.623 -10.012 7.070 1.00 1.00 H new ATOM 0 HB3 PHE A 39 51.465 -8.266 7.071 1.00 1.00 H new ATOM 0 HD1 PHE A 39 53.049 -11.085 8.970 1.00 1.00 H new ATOM 0 HD2 PHE A 39 53.183 -6.909 7.974 1.00 1.00 H new ATOM 0 HE1 PHE A 39 55.251 -10.887 10.097 1.00 1.00 H new ATOM 0 HE2 PHE A 39 55.386 -6.711 9.097 1.00 1.00 H new ATOM 0 HZ PHE A 39 56.418 -8.701 10.160 1.00 1.00 H new ATOM 582 N LEU A 40 49.308 -7.210 8.211 1.00 1.00 N ATOM 583 CA LEU A 40 48.784 -5.869 8.446 1.00 1.00 C ATOM 584 C LEU A 40 47.298 -5.927 8.784 1.00 1.00 C ATOM 585 O LEU A 40 46.468 -5.353 8.080 1.00 1.00 O ATOM 586 CB LEU A 40 48.995 -5.000 7.205 1.00 1.00 C ATOM 587 CG LEU A 40 50.436 -4.492 7.177 1.00 1.00 C ATOM 588 CD1 LEU A 40 50.919 -4.402 5.728 1.00 1.00 C ATOM 589 CD2 LEU A 40 50.499 -3.104 7.820 1.00 1.00 C ATOM 0 H LEU A 40 49.064 -7.609 7.305 1.00 1.00 H new ATOM 0 HA LEU A 40 49.320 -5.432 9.289 1.00 1.00 H new ATOM 0 HB2 LEU A 40 48.784 -5.576 6.304 1.00 1.00 H new ATOM 0 HB3 LEU A 40 48.302 -4.159 7.215 1.00 1.00 H new ATOM 0 HG LEU A 40 51.074 -5.181 7.731 1.00 1.00 H new ATOM 0 HD11 LEU A 40 51.947 -4.040 5.709 1.00 1.00 H new ATOM 0 HD12 LEU A 40 50.874 -5.389 5.267 1.00 1.00 H new ATOM 0 HD13 LEU A 40 50.281 -3.713 5.174 1.00 1.00 H new ATOM 0 HD21 LEU A 40 51.526 -2.740 7.801 1.00 1.00 H new ATOM 0 HD22 LEU A 40 49.860 -2.417 7.265 1.00 1.00 H new ATOM 0 HD23 LEU A 40 50.155 -3.165 8.853 1.00 1.00 H new ATOM 601 N LEU A 41 46.970 -6.625 9.867 1.00 1.00 N ATOM 602 CA LEU A 41 45.580 -6.752 10.289 1.00 1.00 C ATOM 603 C LEU A 41 45.507 -7.275 11.721 1.00 1.00 C ATOM 604 O LEU A 41 45.003 -6.597 12.615 1.00 1.00 O ATOM 605 CB LEU A 41 44.836 -7.704 9.343 1.00 1.00 C ATOM 606 CG LEU A 41 43.450 -8.044 9.906 1.00 1.00 C ATOM 607 CD1 LEU A 41 42.717 -6.761 10.301 1.00 1.00 C ATOM 608 CD2 LEU A 41 42.639 -8.778 8.835 1.00 1.00 C ATOM 0 H LEU A 41 47.642 -7.108 10.464 1.00 1.00 H new ATOM 0 HA LEU A 41 45.108 -5.770 10.253 1.00 1.00 H new ATOM 0 HB2 LEU A 41 44.733 -7.243 8.360 1.00 1.00 H new ATOM 0 HB3 LEU A 41 45.415 -8.618 9.208 1.00 1.00 H new ATOM 0 HG LEU A 41 43.565 -8.677 10.786 1.00 1.00 H new ATOM 0 HD11 LEU A 41 41.734 -7.012 10.700 1.00 1.00 H new ATOM 0 HD12 LEU A 41 43.293 -6.232 11.061 1.00 1.00 H new ATOM 0 HD13 LEU A 41 42.601 -6.124 9.424 1.00 1.00 H new ATOM 0 HD21 LEU A 41 41.653 -9.022 9.229 1.00 1.00 H new ATOM 0 HD22 LEU A 41 42.531 -8.139 7.959 1.00 1.00 H new ATOM 0 HD23 LEU A 41 43.155 -9.696 8.553 1.00 1.00 H new ATOM 620 N GLY A 42 46.014 -8.486 11.929 1.00 1.00 N ATOM 621 CA GLY A 42 46.001 -9.091 13.256 1.00 1.00 C ATOM 622 C GLY A 42 46.977 -8.381 14.187 1.00 1.00 C ATOM 623 O GLY A 42 47.251 -8.854 15.292 1.00 1.00 O ATOM 0 H GLY A 42 46.436 -9.064 11.202 1.00 1.00 H new ATOM 0 HA2 GLY A 42 44.995 -9.043 13.672 1.00 1.00 H new ATOM 0 HA3 GLY A 42 46.265 -10.146 13.182 1.00 1.00 H new ATOM 627 N THR A 43 47.499 -7.246 13.737 1.00 1.00 N ATOM 628 CA THR A 43 48.444 -6.479 14.541 1.00 1.00 C ATOM 629 C THR A 43 48.561 -5.051 14.015 1.00 1.00 C ATOM 630 O THR A 43 48.208 -4.095 14.706 1.00 1.00 O ATOM 631 CB THR A 43 49.820 -7.148 14.511 1.00 1.00 C ATOM 632 OG1 THR A 43 50.831 -6.149 14.484 1.00 1.00 O ATOM 633 CG2 THR A 43 49.937 -8.028 13.265 1.00 1.00 C ATOM 0 H THR A 43 47.286 -6.838 12.827 1.00 1.00 H new ATOM 0 HA THR A 43 48.077 -6.448 15.567 1.00 1.00 H new ATOM 0 HB THR A 43 49.942 -7.766 15.401 1.00 1.00 H new ATOM 0 HG1 THR A 43 51.713 -6.576 14.466 1.00 1.00 H new ATOM 0 HG21 THR A 43 50.918 -8.503 13.246 1.00 1.00 H new ATOM 0 HG22 THR A 43 49.163 -8.795 13.287 1.00 1.00 H new ATOM 0 HG23 THR A 43 49.814 -7.414 12.373 1.00 1.00 H new ATOM 641 N THR A 44 49.059 -4.915 12.791 1.00 1.00 N ATOM 642 CA THR A 44 49.217 -3.600 12.182 1.00 1.00 C ATOM 643 C THR A 44 50.222 -2.764 12.968 1.00 1.00 C ATOM 644 O THR A 44 50.529 -1.631 12.595 1.00 1.00 O ATOM 645 CB THR A 44 47.870 -2.875 12.142 1.00 1.00 C ATOM 646 OG1 THR A 44 47.656 -2.206 13.378 1.00 1.00 O ATOM 647 CG2 THR A 44 46.749 -3.888 11.907 1.00 1.00 C ATOM 0 H THR A 44 49.358 -5.694 12.204 1.00 1.00 H new ATOM 0 HA THR A 44 49.587 -3.734 11.165 1.00 1.00 H new ATOM 0 HB THR A 44 47.874 -2.147 11.331 1.00 1.00 H new ATOM 0 HG1 THR A 44 47.516 -2.867 14.088 1.00 1.00 H new ATOM 0 HG21 THR A 44 45.790 -3.370 11.879 1.00 1.00 H new ATOM 0 HG22 THR A 44 46.913 -4.399 10.958 1.00 1.00 H new ATOM 0 HG23 THR A 44 46.743 -4.618 12.716 1.00 1.00 H new ATOM 655 N GLY A 45 50.730 -3.329 14.058 1.00 1.00 N ATOM 656 CA GLY A 45 51.700 -2.626 14.889 1.00 1.00 C ATOM 657 C GLY A 45 51.002 -1.668 15.848 1.00 1.00 C ATOM 658 O GLY A 45 51.573 -0.654 16.253 1.00 1.00 O ATOM 0 H GLY A 45 50.488 -4.265 14.385 1.00 1.00 H new ATOM 0 HA2 GLY A 45 52.291 -3.347 15.454 1.00 1.00 H new ATOM 0 HA3 GLY A 45 52.394 -2.072 14.256 1.00 1.00 H new ATOM 662 N ASN A 46 49.764 -1.994 16.205 1.00 1.00 N ATOM 663 CA ASN A 46 48.993 -1.156 17.118 1.00 1.00 C ATOM 664 C ASN A 46 48.306 -2.010 18.179 1.00 1.00 C ATOM 665 O ASN A 46 47.593 -1.492 19.039 1.00 1.00 O ATOM 666 CB ASN A 46 47.943 -0.365 16.338 1.00 1.00 C ATOM 667 CG ASN A 46 48.623 0.544 15.319 1.00 1.00 C ATOM 668 OD1 ASN A 46 48.636 1.763 15.486 1.00 1.00 O ATOM 669 ND2 ASN A 46 49.193 0.019 14.269 1.00 1.00 N ATOM 0 H ASN A 46 49.275 -2.827 15.879 1.00 1.00 H new ATOM 0 HA ASN A 46 49.676 -0.465 17.612 1.00 1.00 H new ATOM 0 HB2 ASN A 46 47.264 -1.050 15.830 1.00 1.00 H new ATOM 0 HB3 ASN A 46 47.341 0.231 17.024 1.00 1.00 H new ATOM 0 HD21 ASN A 46 49.651 0.620 13.584 1.00 1.00 H new ATOM 0 HD22 ASN A 46 49.180 -0.992 14.134 1.00 1.00 H new ATOM 676 N GLY A 47 48.526 -3.319 18.111 1.00 1.00 N ATOM 677 CA GLY A 47 47.923 -4.237 19.073 1.00 1.00 C ATOM 678 C GLY A 47 48.952 -4.704 20.096 1.00 1.00 C ATOM 679 O GLY A 47 48.653 -4.813 21.285 1.00 1.00 O ATOM 0 H GLY A 47 49.112 -3.766 17.406 1.00 1.00 H new ATOM 0 HA2 GLY A 47 47.095 -3.744 19.583 1.00 1.00 H new ATOM 0 HA3 GLY A 47 47.508 -5.098 18.549 1.00 1.00 H new ATOM 683 N LEU A 48 50.164 -4.979 19.626 1.00 1.00 N ATOM 684 CA LEU A 48 51.230 -5.434 20.511 1.00 1.00 C ATOM 685 C LEU A 48 52.152 -4.275 20.874 1.00 1.00 C ATOM 686 O LEU A 48 53.300 -4.483 21.268 1.00 1.00 O ATOM 687 CB LEU A 48 52.043 -6.542 19.834 1.00 1.00 C ATOM 688 CG LEU A 48 51.246 -7.138 18.669 1.00 1.00 C ATOM 689 CD1 LEU A 48 52.029 -8.302 18.061 1.00 1.00 C ATOM 690 CD2 LEU A 48 49.897 -7.648 19.181 1.00 1.00 C ATOM 0 H LEU A 48 50.431 -4.896 18.645 1.00 1.00 H new ATOM 0 HA LEU A 48 50.776 -5.826 21.421 1.00 1.00 H new ATOM 0 HB2 LEU A 48 52.989 -6.140 19.471 1.00 1.00 H new ATOM 0 HB3 LEU A 48 52.284 -7.321 20.557 1.00 1.00 H new ATOM 0 HG LEU A 48 51.082 -6.371 17.912 1.00 1.00 H new ATOM 0 HD11 LEU A 48 51.463 -8.727 17.232 1.00 1.00 H new ATOM 0 HD12 LEU A 48 52.991 -7.942 17.697 1.00 1.00 H new ATOM 0 HD13 LEU A 48 52.191 -9.067 18.820 1.00 1.00 H new ATOM 0 HD21 LEU A 48 49.330 -8.072 18.352 1.00 1.00 H new ATOM 0 HD22 LEU A 48 50.061 -8.415 19.938 1.00 1.00 H new ATOM 0 HD23 LEU A 48 49.337 -6.821 19.618 1.00 1.00 H new ATOM 702 N VAL A 49 51.643 -3.054 20.738 1.00 1.00 N ATOM 703 CA VAL A 49 52.429 -1.867 21.055 1.00 1.00 C ATOM 704 C VAL A 49 51.590 -0.861 21.837 1.00 1.00 C ATOM 705 O VAL A 49 52.063 -0.261 22.802 1.00 1.00 O ATOM 706 CB VAL A 49 52.938 -1.219 19.767 1.00 1.00 C ATOM 707 CG1 VAL A 49 54.033 -0.205 20.103 1.00 1.00 C ATOM 708 CG2 VAL A 49 53.509 -2.298 18.844 1.00 1.00 C ATOM 0 H VAL A 49 50.696 -2.861 20.412 1.00 1.00 H new ATOM 0 HA VAL A 49 53.277 -2.169 21.669 1.00 1.00 H new ATOM 0 HB VAL A 49 52.114 -0.711 19.267 1.00 1.00 H new ATOM 0 HG11 VAL A 49 54.396 0.257 19.185 1.00 1.00 H new ATOM 0 HG12 VAL A 49 53.627 0.564 20.760 1.00 1.00 H new ATOM 0 HG13 VAL A 49 54.857 -0.712 20.604 1.00 1.00 H new ATOM 0 HG21 VAL A 49 53.872 -1.836 17.926 1.00 1.00 H new ATOM 0 HG22 VAL A 49 54.333 -2.806 19.345 1.00 1.00 H new ATOM 0 HG23 VAL A 49 52.729 -3.021 18.603 1.00 1.00 H new ATOM 718 N LEU A 50 50.344 -0.682 21.412 1.00 1.00 N ATOM 719 CA LEU A 50 49.448 0.255 22.079 1.00 1.00 C ATOM 720 C LEU A 50 48.542 -0.481 23.061 1.00 1.00 C ATOM 721 O LEU A 50 48.669 -0.322 24.275 1.00 1.00 O ATOM 722 CB LEU A 50 48.594 0.989 21.038 1.00 1.00 C ATOM 723 CG LEU A 50 47.768 2.092 21.714 1.00 1.00 C ATOM 724 CD1 LEU A 50 48.693 3.165 22.300 1.00 1.00 C ATOM 725 CD2 LEU A 50 46.842 2.735 20.679 1.00 1.00 C ATOM 0 H LEU A 50 49.934 -1.169 20.615 1.00 1.00 H new ATOM 0 HA LEU A 50 50.048 0.979 22.630 1.00 1.00 H new ATOM 0 HB2 LEU A 50 49.236 1.423 20.271 1.00 1.00 H new ATOM 0 HB3 LEU A 50 47.931 0.283 20.537 1.00 1.00 H new ATOM 0 HG LEU A 50 47.180 1.652 22.519 1.00 1.00 H new ATOM 0 HD11 LEU A 50 48.094 3.941 22.776 1.00 1.00 H new ATOM 0 HD12 LEU A 50 49.354 2.712 23.039 1.00 1.00 H new ATOM 0 HD13 LEU A 50 49.290 3.606 21.502 1.00 1.00 H new ATOM 0 HD21 LEU A 50 46.253 3.519 21.155 1.00 1.00 H new ATOM 0 HD22 LEU A 50 47.439 3.166 19.875 1.00 1.00 H new ATOM 0 HD23 LEU A 50 46.174 1.978 20.269 1.00 1.00 H new ATOM 737 N TRP A 51 47.628 -1.286 22.528 1.00 1.00 N ATOM 738 CA TRP A 51 46.708 -2.042 23.368 1.00 1.00 C ATOM 739 C TRP A 51 47.456 -2.708 24.517 1.00 1.00 C ATOM 740 O TRP A 51 46.883 -2.973 25.574 1.00 1.00 O ATOM 741 CB TRP A 51 45.995 -3.109 22.534 1.00 1.00 C ATOM 742 CG TRP A 51 45.351 -4.105 23.443 1.00 1.00 C ATOM 743 CD1 TRP A 51 45.787 -5.370 23.641 1.00 1.00 C ATOM 744 CD2 TRP A 51 44.168 -3.944 24.279 1.00 1.00 C ATOM 745 NE1 TRP A 51 44.946 -5.996 24.545 1.00 1.00 N ATOM 746 CE2 TRP A 51 43.934 -5.158 24.967 1.00 1.00 C ATOM 747 CE3 TRP A 51 43.284 -2.874 24.504 1.00 1.00 C ATOM 748 CZ2 TRP A 51 42.860 -5.305 25.847 1.00 1.00 C ATOM 749 CZ3 TRP A 51 42.203 -3.017 25.389 1.00 1.00 C ATOM 750 CH2 TRP A 51 41.992 -4.231 26.059 1.00 1.00 C ATOM 0 H TRP A 51 47.506 -1.431 21.526 1.00 1.00 H new ATOM 0 HA TRP A 51 45.972 -1.352 23.780 1.00 1.00 H new ATOM 0 HB2 TRP A 51 45.244 -2.644 21.896 1.00 1.00 H new ATOM 0 HB3 TRP A 51 46.707 -3.608 21.877 1.00 1.00 H new ATOM 0 HD1 TRP A 51 46.650 -5.818 23.171 1.00 1.00 H new ATOM 0 HE1 TRP A 51 45.060 -6.959 24.861 1.00 1.00 H new ATOM 0 HE3 TRP A 51 43.437 -1.935 23.992 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 42.701 -6.242 26.360 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 41.531 -2.188 25.555 1.00 1.00 H new ATOM 0 HH2 TRP A 51 41.159 -4.335 26.738 1.00 1.00 H new ATOM 761 N THR A 52 48.740 -2.977 24.304 1.00 1.00 N ATOM 762 CA THR A 52 49.559 -3.612 25.330 1.00 1.00 C ATOM 763 C THR A 52 49.777 -2.664 26.505 1.00 1.00 C ATOM 764 O THR A 52 49.836 -3.092 27.657 1.00 1.00 O ATOM 765 CB THR A 52 50.911 -4.020 24.741 1.00 1.00 C ATOM 766 OG1 THR A 52 51.530 -4.973 25.595 1.00 1.00 O ATOM 767 CG2 THR A 52 51.807 -2.787 24.614 1.00 1.00 C ATOM 0 H THR A 52 49.233 -2.767 23.436 1.00 1.00 H new ATOM 0 HA THR A 52 49.037 -4.500 25.687 1.00 1.00 H new ATOM 0 HB THR A 52 50.761 -4.460 23.755 1.00 1.00 H new ATOM 0 HG1 THR A 52 52.395 -5.236 25.218 1.00 1.00 H new ATOM 0 HG21 THR A 52 52.770 -3.079 24.194 1.00 1.00 H new ATOM 0 HG22 THR A 52 51.331 -2.058 23.958 1.00 1.00 H new ATOM 0 HG23 THR A 52 51.959 -2.345 25.599 1.00 1.00 H new ATOM 775 N VAL A 53 49.898 -1.376 26.203 1.00 1.00 N ATOM 776 CA VAL A 53 50.111 -0.374 27.241 1.00 1.00 C ATOM 777 C VAL A 53 49.060 -0.507 28.338 1.00 1.00 C ATOM 778 O VAL A 53 49.367 -0.905 29.461 1.00 1.00 O ATOM 779 CB VAL A 53 50.045 1.028 26.634 1.00 1.00 C ATOM 780 CG1 VAL A 53 50.265 2.070 27.733 1.00 1.00 C ATOM 781 CG2 VAL A 53 51.133 1.173 25.569 1.00 1.00 C ATOM 0 H VAL A 53 49.853 -1.003 25.255 1.00 1.00 H new ATOM 0 HA VAL A 53 51.097 -0.534 27.678 1.00 1.00 H new ATOM 0 HB VAL A 53 49.067 1.182 26.178 1.00 1.00 H new ATOM 0 HG11 VAL A 53 50.218 3.070 27.301 1.00 1.00 H new ATOM 0 HG12 VAL A 53 49.491 1.966 28.493 1.00 1.00 H new ATOM 0 HG13 VAL A 53 51.243 1.917 28.189 1.00 1.00 H new ATOM 0 HG21 VAL A 53 51.087 2.172 25.136 1.00 1.00 H new ATOM 0 HG22 VAL A 53 52.111 1.020 26.025 1.00 1.00 H new ATOM 0 HG23 VAL A 53 50.977 0.430 24.786 1.00 1.00 H new ATOM 791 N PHE A 54 47.817 -0.173 28.003 1.00 1.00 N ATOM 792 CA PHE A 54 46.728 -0.260 28.969 1.00 1.00 C ATOM 793 C PHE A 54 46.373 -1.718 29.242 1.00 1.00 C ATOM 794 O PHE A 54 45.240 -2.144 29.015 1.00 1.00 O ATOM 795 CB PHE A 54 45.498 0.477 28.437 1.00 1.00 C ATOM 796 CG PHE A 54 45.680 1.963 28.628 1.00 1.00 C ATOM 797 CD1 PHE A 54 46.328 2.721 27.645 1.00 1.00 C ATOM 798 CD2 PHE A 54 45.202 2.584 29.788 1.00 1.00 C ATOM 799 CE1 PHE A 54 46.497 4.100 27.822 1.00 1.00 C ATOM 800 CE2 PHE A 54 45.371 3.963 29.965 1.00 1.00 C ATOM 801 CZ PHE A 54 46.019 4.720 28.982 1.00 1.00 C ATOM 0 H PHE A 54 47.541 0.157 27.078 1.00 1.00 H new ATOM 0 HA PHE A 54 47.053 0.204 29.900 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.354 0.250 27.381 1.00 1.00 H new ATOM 0 HB3 PHE A 54 44.604 0.139 28.961 1.00 1.00 H new ATOM 0 HD1 PHE A 54 46.698 2.242 26.750 1.00 1.00 H new ATOM 0 HD2 PHE A 54 44.703 2.000 30.547 1.00 1.00 H new ATOM 0 HE1 PHE A 54 46.996 4.685 27.063 1.00 1.00 H new ATOM 0 HE2 PHE A 54 45.001 4.442 30.860 1.00 1.00 H new ATOM 0 HZ PHE A 54 46.150 5.783 29.119 1.00 1.00 H new ATOM 811 N ARG A 55 47.349 -2.477 29.728 1.00 1.00 N ATOM 812 CA ARG A 55 47.130 -3.887 30.027 1.00 1.00 C ATOM 813 C ARG A 55 48.187 -4.401 30.998 1.00 1.00 C ATOM 814 O ARG A 55 47.881 -4.752 32.137 1.00 1.00 O ATOM 815 CB ARG A 55 47.181 -4.708 28.736 1.00 1.00 C ATOM 816 CG ARG A 55 46.390 -6.005 28.918 1.00 1.00 C ATOM 817 CD ARG A 55 44.897 -5.744 28.700 1.00 1.00 C ATOM 818 NE ARG A 55 44.115 -6.462 29.697 1.00 1.00 N ATOM 819 CZ ARG A 55 43.755 -7.728 29.515 1.00 1.00 C ATOM 820 NH1 ARG A 55 44.108 -8.356 28.427 1.00 1.00 N ATOM 821 NH2 ARG A 55 43.050 -8.343 30.424 1.00 1.00 N ATOM 0 H ARG A 55 48.293 -2.143 29.922 1.00 1.00 H new ATOM 0 HA ARG A 55 46.148 -3.992 30.488 1.00 1.00 H new ATOM 0 HB2 ARG A 55 46.766 -4.131 27.910 1.00 1.00 H new ATOM 0 HB3 ARG A 55 48.216 -4.935 28.478 1.00 1.00 H new ATOM 0 HG2 ARG A 55 46.743 -6.757 28.213 1.00 1.00 H new ATOM 0 HG3 ARG A 55 46.555 -6.404 29.919 1.00 1.00 H new ATOM 0 HD2 ARG A 55 44.693 -4.675 28.766 1.00 1.00 H new ATOM 0 HD3 ARG A 55 44.606 -6.063 27.699 1.00 1.00 H new ATOM 0 HE ARG A 55 43.838 -5.983 30.554 1.00 1.00 H new ATOM 0 HH11 ARG A 55 44.660 -7.875 27.717 1.00 1.00 H new ATOM 0 HH12 ARG A 55 43.832 -9.328 28.287 1.00 1.00 H new ATOM 0 HH21 ARG A 55 42.775 -7.852 31.275 1.00 1.00 H new ATOM 0 HH22 ARG A 55 42.774 -9.315 30.284 1.00 1.00 H new ATOM 835 N LYS A 56 49.434 -4.440 30.540 1.00 1.00 N ATOM 836 CA LYS A 56 50.531 -4.912 31.378 1.00 1.00 C ATOM 837 C LYS A 56 50.679 -4.033 32.615 1.00 1.00 C ATOM 838 O LYS A 56 51.357 -4.403 33.574 1.00 1.00 O ATOM 839 CB LYS A 56 51.837 -4.902 30.581 1.00 1.00 C ATOM 840 CG LYS A 56 52.103 -3.491 30.053 1.00 1.00 C ATOM 841 CD LYS A 56 53.319 -2.899 30.767 1.00 1.00 C ATOM 842 CE LYS A 56 53.608 -1.503 30.211 1.00 1.00 C ATOM 843 NZ LYS A 56 53.729 -0.535 31.337 1.00 1.00 N ATOM 0 H LYS A 56 49.709 -4.153 29.601 1.00 1.00 H new ATOM 0 HA LYS A 56 50.308 -5.930 31.697 1.00 1.00 H new ATOM 0 HB2 LYS A 56 52.663 -5.227 31.213 1.00 1.00 H new ATOM 0 HB3 LYS A 56 51.774 -5.606 29.751 1.00 1.00 H new ATOM 0 HG2 LYS A 56 52.279 -3.521 28.978 1.00 1.00 H new ATOM 0 HG3 LYS A 56 51.229 -2.860 30.216 1.00 1.00 H new ATOM 0 HD2 LYS A 56 53.133 -2.843 31.840 1.00 1.00 H new ATOM 0 HD3 LYS A 56 54.186 -3.544 30.627 1.00 1.00 H new ATOM 0 HE2 LYS A 56 54.529 -1.516 29.628 1.00 1.00 H new ATOM 0 HE3 LYS A 56 52.808 -1.195 29.537 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 53.959 0.407 30.962 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 52.828 -0.491 31.855 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 54.484 -0.845 31.981 1.00 1.00 H new ATOM 857 N LYS A 57 50.042 -2.867 32.587 1.00 1.00 N ATOM 858 CA LYS A 57 50.111 -1.943 33.713 1.00 1.00 C ATOM 859 C LYS A 57 49.755 -2.656 35.014 1.00 1.00 C ATOM 860 O LYS A 57 50.356 -2.401 36.057 1.00 1.00 O ATOM 861 CB LYS A 57 49.150 -0.774 33.490 1.00 1.00 C ATOM 862 CG LYS A 57 49.536 -0.033 32.207 1.00 1.00 C ATOM 863 CD LYS A 57 50.148 1.323 32.565 1.00 1.00 C ATOM 864 CE LYS A 57 50.603 2.030 31.287 1.00 1.00 C ATOM 865 NZ LYS A 57 51.895 1.444 30.828 1.00 1.00 N ATOM 0 H LYS A 57 49.476 -2.541 31.803 1.00 1.00 H new ATOM 0 HA LYS A 57 51.131 -1.565 33.786 1.00 1.00 H new ATOM 0 HB2 LYS A 57 48.126 -1.140 33.417 1.00 1.00 H new ATOM 0 HB3 LYS A 57 49.185 -0.093 34.340 1.00 1.00 H new ATOM 0 HG2 LYS A 57 50.248 -0.625 31.633 1.00 1.00 H new ATOM 0 HG3 LYS A 57 48.657 0.107 31.577 1.00 1.00 H new ATOM 0 HD2 LYS A 57 49.417 1.936 33.092 1.00 1.00 H new ATOM 0 HD3 LYS A 57 50.994 1.186 33.238 1.00 1.00 H new ATOM 0 HE2 LYS A 57 49.846 1.922 30.510 1.00 1.00 H new ATOM 0 HE3 LYS A 57 50.721 3.098 31.472 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 52.273 2.010 30.041 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 52.576 1.446 31.614 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 51.739 0.467 30.508 1.00 1.00 H new ATOM 879 N GLY A 58 48.773 -3.549 34.944 1.00 1.00 N ATOM 880 CA GLY A 58 48.346 -4.293 36.123 1.00 1.00 C ATOM 881 C GLY A 58 46.898 -4.751 35.983 1.00 1.00 C ATOM 882 O GLY A 58 46.173 -4.861 36.972 1.00 1.00 O ATOM 0 H GLY A 58 48.262 -3.774 34.091 1.00 1.00 H new ATOM 0 HA2 GLY A 58 48.993 -5.158 36.266 1.00 1.00 H new ATOM 0 HA3 GLY A 58 48.450 -3.668 37.010 1.00 1.00 H new ATOM 886 N HIS A 59 46.485 -5.019 34.749 1.00 1.00 N ATOM 887 CA HIS A 59 45.120 -5.466 34.491 1.00 1.00 C ATOM 888 C HIS A 59 44.117 -4.392 34.901 1.00 1.00 C ATOM 889 O HIS A 59 43.491 -3.757 34.052 1.00 1.00 O ATOM 890 CB HIS A 59 44.837 -6.754 35.267 1.00 1.00 C ATOM 891 CG HIS A 59 46.038 -7.658 35.192 1.00 1.00 C ATOM 892 ND1 HIS A 59 46.728 -8.066 36.323 1.00 1.00 N ATOM 893 CD2 HIS A 59 46.682 -8.241 34.129 1.00 1.00 C ATOM 894 CE1 HIS A 59 47.737 -8.858 35.919 1.00 1.00 C ATOM 895 NE2 HIS A 59 47.755 -8.998 34.590 1.00 1.00 N ATOM 0 H HIS A 59 47.070 -4.936 33.918 1.00 1.00 H new ATOM 0 HA HIS A 59 45.016 -5.655 33.423 1.00 1.00 H new ATOM 0 HB2 HIS A 59 44.607 -6.522 36.307 1.00 1.00 H new ATOM 0 HB3 HIS A 59 43.963 -7.257 34.852 1.00 1.00 H new ATOM 0 HD2 HIS A 59 46.399 -8.129 33.093 1.00 1.00 H new ATOM 0 HE1 HIS A 59 48.446 -9.324 36.587 1.00 1.00 H new ATOM 0 HE2 HIS A 59 48.414 -9.543 34.033 1.00 1.00 H new ATOM 903 N HIS A 60 43.970 -4.195 36.207 1.00 1.00 N ATOM 904 CA HIS A 60 43.040 -3.195 36.719 1.00 1.00 C ATOM 905 C HIS A 60 43.544 -1.789 36.413 1.00 1.00 C ATOM 906 O HIS A 60 42.914 -0.798 36.786 1.00 1.00 O ATOM 907 CB HIS A 60 42.873 -3.362 38.231 1.00 1.00 C ATOM 908 CG HIS A 60 42.399 -4.757 38.531 1.00 1.00 C ATOM 909 ND1 HIS A 60 42.670 -5.386 39.736 1.00 1.00 N ATOM 910 CD2 HIS A 60 41.669 -5.657 37.795 1.00 1.00 C ATOM 911 CE1 HIS A 60 42.113 -6.610 39.691 1.00 1.00 C ATOM 912 NE2 HIS A 60 41.490 -6.826 38.529 1.00 1.00 N ATOM 0 H HIS A 60 44.479 -4.710 36.925 1.00 1.00 H new ATOM 0 HA HIS A 60 42.077 -3.338 36.230 1.00 1.00 H new ATOM 0 HB2 HIS A 60 43.820 -3.172 38.736 1.00 1.00 H new ATOM 0 HB3 HIS A 60 42.157 -2.633 38.611 1.00 1.00 H new ATOM 0 HD2 HIS A 60 41.291 -5.484 36.798 1.00 1.00 H new ATOM 0 HE1 HIS A 60 42.163 -7.329 40.495 1.00 1.00 H new ATOM 0 HE2 HIS A 60 40.990 -7.667 38.241 1.00 1.00 H new ATOM 920 N HIS A 61 44.683 -1.708 35.732 1.00 1.00 N ATOM 921 CA HIS A 61 45.262 -0.416 35.382 1.00 1.00 C ATOM 922 C HIS A 61 45.342 0.485 36.609 1.00 1.00 C ATOM 923 O HIS A 61 44.403 1.223 36.912 1.00 1.00 O ATOM 924 CB HIS A 61 44.416 0.260 34.303 1.00 1.00 C ATOM 925 CG HIS A 61 44.255 -0.672 33.133 1.00 1.00 C ATOM 926 ND1 HIS A 61 43.370 -0.414 32.097 1.00 1.00 N ATOM 927 CD2 HIS A 61 44.859 -1.865 32.821 1.00 1.00 C ATOM 928 CE1 HIS A 61 43.465 -1.428 31.219 1.00 1.00 C ATOM 929 NE2 HIS A 61 44.360 -2.340 31.611 1.00 1.00 N ATOM 0 H HIS A 61 45.220 -2.515 35.414 1.00 1.00 H new ATOM 0 HA HIS A 61 46.270 -0.581 35.001 1.00 1.00 H new ATOM 0 HB2 HIS A 61 43.439 0.527 34.706 1.00 1.00 H new ATOM 0 HB3 HIS A 61 44.891 1.186 33.981 1.00 1.00 H new ATOM 0 HD1 HIS A 61 42.758 0.398 32.016 1.00 1.00 H new ATOM 0 HD2 HIS A 61 45.607 -2.360 33.423 1.00 1.00 H new ATOM 0 HE1 HIS A 61 42.889 -1.497 30.308 1.00 1.00 H new ATOM 937 N HIS A 62 46.468 0.422 37.312 1.00 1.00 N ATOM 938 CA HIS A 62 46.659 1.238 38.504 1.00 1.00 C ATOM 939 C HIS A 62 48.144 1.488 38.752 1.00 1.00 C ATOM 940 O HIS A 62 48.663 1.183 39.825 1.00 1.00 O ATOM 941 CB HIS A 62 46.048 0.539 39.720 1.00 1.00 C ATOM 942 CG HIS A 62 46.018 1.489 40.885 1.00 1.00 C ATOM 943 ND1 HIS A 62 45.477 1.138 42.112 1.00 1.00 N ATOM 944 CD2 HIS A 62 46.458 2.783 41.025 1.00 1.00 C ATOM 945 CE1 HIS A 62 45.604 2.200 42.929 1.00 1.00 C ATOM 946 NE2 HIS A 62 46.195 3.228 42.317 1.00 1.00 N ATOM 0 H HIS A 62 47.257 -0.181 37.079 1.00 1.00 H new ATOM 0 HA HIS A 62 46.162 2.196 38.348 1.00 1.00 H new ATOM 0 HB2 HIS A 62 45.038 0.200 39.488 1.00 1.00 H new ATOM 0 HB3 HIS A 62 46.631 -0.346 39.974 1.00 1.00 H new ATOM 0 HD2 HIS A 62 46.935 3.366 40.251 1.00 1.00 H new ATOM 0 HE1 HIS A 62 45.268 2.218 43.955 1.00 1.00 H new ATOM 0 HE2 HIS A 62 46.408 4.144 42.712 1.00 1.00 H new ATOM 954 N HIS A 63 48.819 2.043 37.752 1.00 1.00 N ATOM 955 CA HIS A 63 50.245 2.328 37.871 1.00 1.00 C ATOM 956 C HIS A 63 50.470 3.801 38.201 1.00 1.00 C ATOM 957 O HIS A 63 50.613 4.632 37.305 1.00 1.00 O ATOM 958 CB HIS A 63 50.959 1.981 36.563 1.00 1.00 C ATOM 959 CG HIS A 63 52.447 2.057 36.769 1.00 1.00 C ATOM 960 ND1 HIS A 63 53.255 0.931 36.745 1.00 1.00 N ATOM 961 CD2 HIS A 63 53.287 3.117 37.005 1.00 1.00 C ATOM 962 CE1 HIS A 63 54.520 1.335 36.960 1.00 1.00 C ATOM 963 NE2 HIS A 63 54.597 2.658 37.124 1.00 1.00 N ATOM 0 H HIS A 63 48.406 2.303 36.856 1.00 1.00 H new ATOM 0 HA HIS A 63 50.652 1.719 38.678 1.00 1.00 H new ATOM 0 HB2 HIS A 63 50.677 0.980 36.237 1.00 1.00 H new ATOM 0 HB3 HIS A 63 50.654 2.671 35.776 1.00 1.00 H new ATOM 0 HD2 HIS A 63 52.979 4.149 37.086 1.00 1.00 H new ATOM 0 HE1 HIS A 63 55.370 0.670 36.996 1.00 1.00 H new ATOM 0 HE2 HIS A 63 55.435 3.213 37.299 1.00 1.00 H new ATOM 971 N HIS A 64 50.502 4.115 39.492 1.00 1.00 N ATOM 972 CA HIS A 64 50.710 5.490 39.928 1.00 1.00 C ATOM 973 C HIS A 64 52.155 5.697 40.375 1.00 1.00 C ATOM 974 O HIS A 64 52.542 5.090 41.359 1.00 1.00 O ATOM 975 CB HIS A 64 49.764 5.822 41.084 1.00 1.00 C ATOM 976 CG HIS A 64 50.330 6.961 41.886 1.00 1.00 C ATOM 977 ND1 HIS A 64 49.952 8.277 41.668 1.00 1.00 N ATOM 978 CD2 HIS A 64 51.249 6.999 42.905 1.00 1.00 C ATOM 979 CE1 HIS A 64 50.633 9.044 42.539 1.00 1.00 C ATOM 980 NE2 HIS A 64 51.437 8.316 43.317 1.00 1.00 N ATOM 981 OXT HIS A 64 52.851 6.461 39.725 1.00 1.00 O ATOM 0 H HIS A 64 50.387 3.441 40.249 1.00 1.00 H new ATOM 0 HA HIS A 64 50.502 6.153 39.088 1.00 1.00 H new ATOM 0 HB2 HIS A 64 48.781 6.089 40.697 1.00 1.00 H new ATOM 0 HB3 HIS A 64 49.629 4.947 41.720 1.00 1.00 H new ATOM 0 HD2 HIS A 64 51.750 6.139 43.323 1.00 1.00 H new ATOM 0 HE1 HIS A 64 50.540 10.118 42.601 1.00 1.00 H new ATOM 0 HE2 HIS A 64 52.056 8.652 44.055 1.00 1.00 H new TER 989 HIS A 64