USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=20 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 59 HIS : no HD1:sc= -1.15 K(o=-2.5,f=-5.2) USER MOD Set 1.2: A 60 HIS :FLIP no HE2:sc= -1.37 F(o=-3.2,f=-2.5) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 128:sc= 1.25 (180deg=0.363) USER MOD Set 2.2: A 26 SER OG : rot 131:sc= -0.298 USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.0782) USER MOD Single : A 1 MET N :NH3+ -144:sc= -0.0485 (180deg=-0.785) USER MOD Single : A 9 ASN : amide:sc= -2.42! C(o=-2.4!,f=-3.8!) 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 :FLIP amide:sc= -2.82! C(o=-5.8!,f=-2.8!) USER MOD Single : A 16 GLN :FLIP amide:sc= -7.66! C(o=-9.8!,f=-7.7!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 45:sc= 0.122 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 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -146:sc= -2.78! USER MOD Single : A 44 THR OG1 : rot 67:sc= 1.12 USER MOD Single : A 46 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.43) USER MOD Single : A 52 THR OG1 : rot -48:sc= -0.105 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= -2.49! C(o=-2.5!,f=-5!) USER MOD Single : A 62 HIS : no HD1:sc= -0.492 X(o=-0.49,f=-0.14) USER MOD Single : A 63 HIS : no HD1:sc= -1.36! C(o=-1.4!,f=-2!) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.421 F(o=-0.97,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 73.024 8.276 -4.257 1.00 1.00 N ATOM 2 CA MET A 1 73.390 9.235 -5.338 1.00 1.00 C ATOM 3 C MET A 1 72.517 10.481 -5.225 1.00 1.00 C ATOM 4 O MET A 1 73.023 11.600 -5.153 1.00 1.00 O ATOM 5 CB MET A 1 73.178 8.571 -6.700 1.00 1.00 C ATOM 6 CG MET A 1 74.072 7.334 -6.808 1.00 1.00 C ATOM 7 SD MET A 1 73.060 5.893 -7.229 1.00 1.00 S ATOM 8 CE MET A 1 72.696 6.362 -8.938 1.00 1.00 C ATOM 0 H1 MET A 1 73.879 7.788 -3.922 1.00 1.00 H new ATOM 0 H2 MET A 1 72.589 8.793 -3.467 1.00 1.00 H new ATOM 0 H3 MET A 1 72.349 7.577 -4.627 1.00 1.00 H new ATOM 0 HA MET A 1 74.437 9.520 -5.238 1.00 1.00 H new ATOM 0 HB2 MET A 1 72.132 8.289 -6.820 1.00 1.00 H new ATOM 0 HB3 MET A 1 73.413 9.274 -7.500 1.00 1.00 H new ATOM 0 HG2 MET A 1 74.836 7.490 -7.569 1.00 1.00 H new ATOM 0 HG3 MET A 1 74.591 7.164 -5.865 1.00 1.00 H new ATOM 0 HE1 MET A 1 72.225 5.525 -9.453 1.00 1.00 H new ATOM 0 HE2 MET A 1 72.021 7.218 -8.945 1.00 1.00 H new ATOM 0 HE3 MET A 1 73.622 6.626 -9.448 1.00 1.00 H new ATOM 20 N GLU A 2 71.203 10.278 -5.212 1.00 1.00 N ATOM 21 CA GLU A 2 70.270 11.393 -5.108 1.00 1.00 C ATOM 22 C GLU A 2 70.372 12.294 -6.335 1.00 1.00 C ATOM 23 O GLU A 2 71.443 12.815 -6.646 1.00 1.00 O ATOM 24 CB GLU A 2 70.567 12.208 -3.848 1.00 1.00 C ATOM 25 CG GLU A 2 69.309 12.966 -3.421 1.00 1.00 C ATOM 26 CD GLU A 2 69.645 13.945 -2.302 1.00 1.00 C ATOM 27 OE1 GLU A 2 70.365 13.557 -1.398 1.00 1.00 O ATOM 28 OE2 GLU A 2 69.177 15.070 -2.366 1.00 1.00 O ATOM 0 H GLU A 2 70.764 9.359 -5.272 1.00 1.00 H new ATOM 0 HA GLU A 2 69.259 10.991 -5.050 1.00 1.00 H new ATOM 0 HB2 GLU A 2 70.897 11.549 -3.045 1.00 1.00 H new ATOM 0 HB3 GLU A 2 71.379 12.909 -4.039 1.00 1.00 H new ATOM 0 HG2 GLU A 2 68.892 13.503 -4.273 1.00 1.00 H new ATOM 0 HG3 GLU A 2 68.548 12.263 -3.084 1.00 1.00 H new ATOM 35 N GLU A 3 69.251 12.472 -7.027 1.00 1.00 N ATOM 36 CA GLU A 3 69.226 13.312 -8.218 1.00 1.00 C ATOM 37 C GLU A 3 68.681 14.698 -7.886 1.00 1.00 C ATOM 38 O GLU A 3 69.356 15.706 -8.092 1.00 1.00 O ATOM 39 CB GLU A 3 68.356 12.665 -9.297 1.00 1.00 C ATOM 40 CG GLU A 3 68.717 11.182 -9.423 1.00 1.00 C ATOM 41 CD GLU A 3 68.393 10.685 -10.827 1.00 1.00 C ATOM 42 OE1 GLU A 3 68.818 11.325 -11.774 1.00 1.00 O ATOM 43 OE2 GLU A 3 67.725 9.670 -10.935 1.00 1.00 O ATOM 0 H GLU A 3 68.355 12.049 -6.786 1.00 1.00 H new ATOM 0 HA GLU A 3 70.246 13.414 -8.588 1.00 1.00 H new ATOM 0 HB2 GLU A 3 67.302 12.773 -9.042 1.00 1.00 H new ATOM 0 HB3 GLU A 3 68.507 13.169 -10.251 1.00 1.00 H new ATOM 0 HG2 GLU A 3 69.777 11.038 -9.213 1.00 1.00 H new ATOM 0 HG3 GLU A 3 68.164 10.600 -8.686 1.00 1.00 H new ATOM 50 N GLY A 4 67.456 14.738 -7.373 1.00 1.00 N ATOM 51 CA GLY A 4 66.830 16.006 -7.016 1.00 1.00 C ATOM 52 C GLY A 4 65.312 15.873 -6.984 1.00 1.00 C ATOM 53 O GLY A 4 64.597 16.665 -7.598 1.00 1.00 O ATOM 0 H GLY A 4 66.881 13.914 -7.196 1.00 1.00 H new ATOM 0 HA2 GLY A 4 67.191 16.333 -6.041 1.00 1.00 H new ATOM 0 HA3 GLY A 4 67.117 16.773 -7.735 1.00 1.00 H new ATOM 57 N GLY A 5 64.826 14.866 -6.265 1.00 1.00 N ATOM 58 CA GLY A 5 63.389 14.639 -6.160 1.00 1.00 C ATOM 59 C GLY A 5 62.844 15.193 -4.849 1.00 1.00 C ATOM 60 O GLY A 5 63.450 16.073 -4.236 1.00 1.00 O ATOM 0 H GLY A 5 65.401 14.199 -5.750 1.00 1.00 H new ATOM 0 HA2 GLY A 5 62.880 15.113 -6.999 1.00 1.00 H new ATOM 0 HA3 GLY A 5 63.180 13.571 -6.223 1.00 1.00 H new ATOM 64 N ASP A 6 61.697 14.673 -4.423 1.00 1.00 N ATOM 65 CA ASP A 6 61.080 15.124 -3.182 1.00 1.00 C ATOM 66 C ASP A 6 60.533 13.938 -2.394 1.00 1.00 C ATOM 67 O ASP A 6 60.577 13.926 -1.163 1.00 1.00 O ATOM 68 CB ASP A 6 59.945 16.103 -3.488 1.00 1.00 C ATOM 69 CG ASP A 6 60.498 17.517 -3.620 1.00 1.00 C ATOM 70 OD1 ASP A 6 61.021 18.021 -2.641 1.00 1.00 O ATOM 71 OD2 ASP A 6 60.390 18.076 -4.699 1.00 1.00 O ATOM 0 H ASP A 6 61.180 13.944 -4.915 1.00 1.00 H new ATOM 0 HA ASP A 6 61.839 15.625 -2.582 1.00 1.00 H new ATOM 0 HB2 ASP A 6 59.442 15.813 -4.410 1.00 1.00 H new ATOM 0 HB3 ASP A 6 59.199 16.068 -2.694 1.00 1.00 H new ATOM 76 N PHE A 7 60.020 12.944 -3.110 1.00 1.00 N ATOM 77 CA PHE A 7 59.468 11.757 -2.465 1.00 1.00 C ATOM 78 C PHE A 7 59.873 10.498 -3.224 1.00 1.00 C ATOM 79 O PHE A 7 59.032 9.665 -3.558 1.00 1.00 O ATOM 80 CB PHE A 7 57.943 11.853 -2.414 1.00 1.00 C ATOM 81 CG PHE A 7 57.418 12.244 -3.774 1.00 1.00 C ATOM 82 CD1 PHE A 7 57.463 13.583 -4.184 1.00 1.00 C ATOM 83 CD2 PHE A 7 56.885 11.270 -4.626 1.00 1.00 C ATOM 84 CE1 PHE A 7 56.977 13.946 -5.446 1.00 1.00 C ATOM 85 CE2 PHE A 7 56.399 11.632 -5.888 1.00 1.00 C ATOM 86 CZ PHE A 7 56.445 12.970 -6.298 1.00 1.00 C ATOM 0 H PHE A 7 59.974 12.935 -4.129 1.00 1.00 H new ATOM 0 HA PHE A 7 59.864 11.700 -1.451 1.00 1.00 H new ATOM 0 HB2 PHE A 7 57.518 10.897 -2.109 1.00 1.00 H new ATOM 0 HB3 PHE A 7 57.639 12.589 -1.670 1.00 1.00 H new ATOM 0 HD1 PHE A 7 57.873 14.335 -3.526 1.00 1.00 H new ATOM 0 HD2 PHE A 7 56.849 10.238 -4.310 1.00 1.00 H new ATOM 0 HE1 PHE A 7 57.012 14.978 -5.762 1.00 1.00 H new ATOM 0 HE2 PHE A 7 55.989 10.879 -6.545 1.00 1.00 H new ATOM 0 HZ PHE A 7 56.070 13.250 -7.272 1.00 1.00 H new ATOM 96 N ASP A 8 61.168 10.367 -3.491 1.00 1.00 N ATOM 97 CA ASP A 8 61.675 9.205 -4.210 1.00 1.00 C ATOM 98 C ASP A 8 63.175 9.044 -3.978 1.00 1.00 C ATOM 99 O ASP A 8 63.969 9.119 -4.916 1.00 1.00 O ATOM 100 CB ASP A 8 61.403 9.357 -5.708 1.00 1.00 C ATOM 101 CG ASP A 8 62.059 8.216 -6.476 1.00 1.00 C ATOM 102 OD1 ASP A 8 61.576 7.100 -6.368 1.00 1.00 O ATOM 103 OD2 ASP A 8 63.036 8.472 -7.160 1.00 1.00 O ATOM 0 H ASP A 8 61.881 11.046 -3.223 1.00 1.00 H new ATOM 0 HA ASP A 8 61.163 8.318 -3.836 1.00 1.00 H new ATOM 0 HB2 ASP A 8 60.329 9.360 -5.892 1.00 1.00 H new ATOM 0 HB3 ASP A 8 61.789 10.313 -6.061 1.00 1.00 H new ATOM 108 N ASN A 9 63.554 8.822 -2.724 1.00 1.00 N ATOM 109 CA ASN A 9 64.959 8.650 -2.380 1.00 1.00 C ATOM 110 C ASN A 9 65.090 7.962 -1.027 1.00 1.00 C ATOM 111 O ASN A 9 65.806 8.435 -0.144 1.00 1.00 O ATOM 112 CB ASN A 9 65.655 10.013 -2.336 1.00 1.00 C ATOM 113 CG ASN A 9 65.950 10.493 -3.753 1.00 1.00 C ATOM 114 OD1 ASN A 9 66.418 9.719 -4.587 1.00 1.00 O ATOM 115 ND2 ASN A 9 65.702 11.733 -4.076 1.00 1.00 N ATOM 0 H ASN A 9 62.912 8.757 -1.934 1.00 1.00 H new ATOM 0 HA ASN A 9 65.432 8.028 -3.140 1.00 1.00 H new ATOM 0 HB2 ASN A 9 65.023 10.737 -1.822 1.00 1.00 H new ATOM 0 HB3 ASN A 9 66.582 9.939 -1.768 1.00 1.00 H new ATOM 0 HD21 ASN A 9 65.896 12.062 -5.022 1.00 1.00 H new ATOM 0 HD22 ASN A 9 65.314 12.373 -3.383 1.00 1.00 H new ATOM 122 N TYR A 10 64.393 6.836 -0.877 1.00 1.00 N ATOM 123 CA TYR A 10 64.425 6.074 0.361 1.00 1.00 C ATOM 124 C TYR A 10 64.510 6.992 1.575 1.00 1.00 C ATOM 125 O TYR A 10 65.247 6.716 2.520 1.00 1.00 O ATOM 126 CB TYR A 10 65.614 5.120 0.341 1.00 1.00 C ATOM 127 CG TYR A 10 66.853 5.860 -0.107 1.00 1.00 C ATOM 128 CD1 TYR A 10 67.146 5.966 -1.471 1.00 1.00 C ATOM 129 CD2 TYR A 10 67.709 6.436 0.840 1.00 1.00 C ATOM 130 CE1 TYR A 10 68.296 6.648 -1.889 1.00 1.00 C ATOM 131 CE2 TYR A 10 68.857 7.118 0.422 1.00 1.00 C ATOM 132 CZ TYR A 10 69.151 7.224 -0.942 1.00 1.00 C ATOM 133 OH TYR A 10 70.283 7.897 -1.354 1.00 1.00 O ATOM 0 H TYR A 10 63.799 6.434 -1.602 1.00 1.00 H new ATOM 0 HA TYR A 10 63.499 5.504 0.439 1.00 1.00 H new ATOM 0 HB2 TYR A 10 65.770 4.697 1.333 1.00 1.00 H new ATOM 0 HB3 TYR A 10 65.413 4.287 -0.332 1.00 1.00 H new ATOM 0 HD1 TYR A 10 66.486 5.522 -2.201 1.00 1.00 H new ATOM 0 HD2 TYR A 10 67.483 6.354 1.893 1.00 1.00 H new ATOM 0 HE1 TYR A 10 68.523 6.729 -2.942 1.00 1.00 H new ATOM 0 HE2 TYR A 10 69.517 7.563 1.152 1.00 1.00 H new ATOM 0 HH TYR A 10 70.765 8.236 -0.571 1.00 1.00 H new ATOM 143 N TYR A 11 63.742 8.079 1.533 1.00 1.00 N ATOM 144 CA TYR A 11 63.708 9.050 2.625 1.00 1.00 C ATOM 145 C TYR A 11 63.874 8.366 3.979 1.00 1.00 C ATOM 146 O TYR A 11 62.895 7.999 4.629 1.00 1.00 O ATOM 147 CB TYR A 11 62.378 9.809 2.598 1.00 1.00 C ATOM 148 CG TYR A 11 61.376 9.045 1.760 1.00 1.00 C ATOM 149 CD1 TYR A 11 61.168 7.680 1.989 1.00 1.00 C ATOM 150 CD2 TYR A 11 60.660 9.703 0.752 1.00 1.00 C ATOM 151 CE1 TYR A 11 60.244 6.971 1.211 1.00 1.00 C ATOM 152 CE2 TYR A 11 59.736 8.995 -0.025 1.00 1.00 C ATOM 153 CZ TYR A 11 59.528 7.629 0.204 1.00 1.00 C ATOM 154 OH TYR A 11 58.617 6.931 -0.563 1.00 1.00 O ATOM 0 H TYR A 11 63.131 8.310 0.749 1.00 1.00 H new ATOM 0 HA TYR A 11 64.537 9.744 2.487 1.00 1.00 H new ATOM 0 HB2 TYR A 11 61.999 9.935 3.612 1.00 1.00 H new ATOM 0 HB3 TYR A 11 62.526 10.808 2.187 1.00 1.00 H new ATOM 0 HD1 TYR A 11 61.720 7.173 2.766 1.00 1.00 H new ATOM 0 HD2 TYR A 11 60.821 10.756 0.574 1.00 1.00 H new ATOM 0 HE1 TYR A 11 60.084 5.918 1.388 1.00 1.00 H new ATOM 0 HE2 TYR A 11 59.183 9.502 -0.802 1.00 1.00 H new ATOM 0 HH TYR A 11 58.206 7.536 -1.215 1.00 1.00 H new ATOM 164 N GLY A 12 65.123 8.198 4.396 1.00 1.00 N ATOM 165 CA GLY A 12 65.416 7.556 5.672 1.00 1.00 C ATOM 166 C GLY A 12 64.493 6.366 5.911 1.00 1.00 C ATOM 167 O GLY A 12 63.836 6.278 6.948 1.00 1.00 O ATOM 0 H GLY A 12 65.946 8.496 3.872 1.00 1.00 H new ATOM 0 HA2 GLY A 12 66.454 7.224 5.686 1.00 1.00 H new ATOM 0 HA3 GLY A 12 65.301 8.278 6.481 1.00 1.00 H new ATOM 171 N ALA A 13 64.448 5.454 4.945 1.00 1.00 N ATOM 172 CA ALA A 13 63.600 4.273 5.064 1.00 1.00 C ATOM 173 C ALA A 13 63.843 3.320 3.897 1.00 1.00 C ATOM 174 O ALA A 13 63.411 3.578 2.773 1.00 1.00 O ATOM 175 CB ALA A 13 62.128 4.686 5.088 1.00 1.00 C ATOM 0 H ALA A 13 64.983 5.509 4.079 1.00 1.00 H new ATOM 0 HA ALA A 13 63.849 3.763 5.995 1.00 1.00 H new ATOM 0 HB1 ALA A 13 61.502 3.798 5.177 1.00 1.00 H new ATOM 0 HB2 ALA A 13 61.948 5.343 5.939 1.00 1.00 H new ATOM 0 HB3 ALA A 13 61.883 5.212 4.165 1.00 1.00 H new ATOM 181 N ASP A 14 64.535 2.220 4.171 1.00 1.00 N ATOM 182 CA ASP A 14 64.828 1.236 3.136 1.00 1.00 C ATOM 183 C ASP A 14 65.537 0.025 3.735 1.00 1.00 C ATOM 184 O ASP A 14 66.616 -0.362 3.283 1.00 1.00 O ATOM 185 CB ASP A 14 65.708 1.865 2.054 1.00 1.00 C ATOM 186 CG ASP A 14 66.782 2.737 2.697 1.00 1.00 C ATOM 187 OD1 ASP A 14 66.426 3.581 3.502 1.00 1.00 O ATOM 188 OD2 ASP A 14 67.943 2.551 2.371 1.00 1.00 O ATOM 0 H ASP A 14 64.901 1.988 5.094 1.00 1.00 H new ATOM 0 HA ASP A 14 63.888 0.908 2.693 1.00 1.00 H new ATOM 0 HB2 ASP A 14 66.174 1.084 1.453 1.00 1.00 H new ATOM 0 HB3 ASP A 14 65.097 2.465 1.379 1.00 1.00 H new ATOM 193 N ASN A 15 64.925 -0.568 4.754 1.00 1.00 N ATOM 194 CA ASN A 15 65.506 -1.736 5.407 1.00 1.00 C ATOM 195 C ASN A 15 64.444 -2.483 6.209 1.00 1.00 C ATOM 196 O ASN A 15 63.507 -3.038 5.634 1.00 1.00 O ATOM 197 CB ASN A 15 66.642 -1.303 6.336 1.00 1.00 C ATOM 198 CG ASN A 15 67.237 -2.520 7.036 1.00 1.00 C ATOM 199 OD1 ASN A 15 66.854 -3.717 6.684 1.00 1.00 O flip ATOM 200 ND2 ASN A 15 68.074 -2.376 7.928 1.00 1.00 N flip ATOM 0 H ASN A 15 64.033 -0.262 5.144 1.00 1.00 H new ATOM 0 HA ASN A 15 65.900 -2.402 4.639 1.00 1.00 H new ATOM 0 HB2 ASN A 15 67.414 -0.789 5.764 1.00 1.00 H new ATOM 0 HB3 ASN A 15 66.268 -0.595 7.075 1.00 1.00 H new ATOM 0 HD21 ASN A 15 68.372 -1.440 8.201 1.00 1.00 H new ATOM 0 HD22 ASN A 15 68.469 -3.193 8.393 1.00 1.00 H new ATOM 207 N GLN A 16 64.606 -2.485 7.535 1.00 1.00 N ATOM 208 CA GLN A 16 63.670 -3.158 8.440 1.00 1.00 C ATOM 209 C GLN A 16 62.987 -4.342 7.763 1.00 1.00 C ATOM 210 O GLN A 16 61.761 -4.451 7.775 1.00 1.00 O ATOM 211 CB GLN A 16 62.615 -2.168 8.941 1.00 1.00 C ATOM 212 CG GLN A 16 61.966 -1.445 7.756 1.00 1.00 C ATOM 213 CD GLN A 16 62.867 -0.316 7.258 1.00 1.00 C ATOM 214 OE1 GLN A 16 64.024 -0.112 7.827 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 62.504 0.397 6.323 1.00 1.00 N flip ATOM 0 H GLN A 16 65.383 -2.024 8.009 1.00 1.00 H new ATOM 0 HA GLN A 16 64.244 -3.538 9.285 1.00 1.00 H new ATOM 0 HB2 GLN A 16 61.854 -2.696 9.516 1.00 1.00 H new ATOM 0 HB3 GLN A 16 63.075 -1.443 9.612 1.00 1.00 H new ATOM 0 HG2 GLN A 16 61.780 -2.153 6.948 1.00 1.00 H new ATOM 0 HG3 GLN A 16 60.999 -1.041 8.055 1.00 1.00 H new ATOM 0 HE21 GLN A 16 61.600 0.236 5.880 1.00 1.00 H new ATOM 0 HE22 GLN A 16 63.108 1.149 5.991 1.00 1.00 H new ATOM 224 N SER A 17 63.791 -5.220 7.171 1.00 1.00 N ATOM 225 CA SER A 17 63.264 -6.396 6.484 1.00 1.00 C ATOM 226 C SER A 17 62.814 -6.025 5.077 1.00 1.00 C ATOM 227 O SER A 17 61.746 -6.437 4.623 1.00 1.00 O ATOM 228 CB SER A 17 62.089 -6.989 7.263 1.00 1.00 C ATOM 229 OG SER A 17 62.069 -8.398 7.081 1.00 1.00 O ATOM 0 H SER A 17 64.808 -5.140 7.153 1.00 1.00 H new ATOM 0 HA SER A 17 64.057 -7.142 6.421 1.00 1.00 H new ATOM 0 HB2 SER A 17 62.182 -6.749 8.322 1.00 1.00 H new ATOM 0 HB3 SER A 17 61.152 -6.553 6.918 1.00 1.00 H new ATOM 0 HG SER A 17 61.318 -8.782 7.580 1.00 1.00 H new ATOM 235 N GLU A 18 63.639 -5.242 4.393 1.00 1.00 N ATOM 236 CA GLU A 18 63.327 -4.811 3.036 1.00 1.00 C ATOM 237 C GLU A 18 63.580 -5.941 2.045 1.00 1.00 C ATOM 238 O GLU A 18 64.512 -6.729 2.211 1.00 1.00 O ATOM 239 CB GLU A 18 64.190 -3.603 2.670 1.00 1.00 C ATOM 240 CG GLU A 18 63.900 -3.186 1.227 1.00 1.00 C ATOM 241 CD GLU A 18 63.856 -1.666 1.122 1.00 1.00 C ATOM 242 OE1 GLU A 18 64.876 -1.045 1.374 1.00 1.00 O ATOM 243 OE2 GLU A 18 62.804 -1.145 0.793 1.00 1.00 O ATOM 0 H GLU A 18 64.527 -4.893 4.754 1.00 1.00 H new ATOM 0 HA GLU A 18 62.273 -4.535 2.990 1.00 1.00 H new ATOM 0 HB2 GLU A 18 63.981 -2.775 3.348 1.00 1.00 H new ATOM 0 HB3 GLU A 18 65.246 -3.849 2.783 1.00 1.00 H new ATOM 0 HG2 GLU A 18 64.669 -3.582 0.564 1.00 1.00 H new ATOM 0 HG3 GLU A 18 62.949 -3.609 0.902 1.00 1.00 H new ATOM 250 N CYS A 19 62.745 -6.017 1.014 1.00 1.00 N ATOM 251 CA CYS A 19 62.889 -7.057 0.003 1.00 1.00 C ATOM 252 C CYS A 19 61.910 -6.830 -1.144 1.00 1.00 C ATOM 253 O CYS A 19 61.051 -7.670 -1.414 1.00 1.00 O ATOM 254 CB CYS A 19 62.639 -8.429 0.627 1.00 1.00 C ATOM 255 SG CYS A 19 61.007 -8.448 1.409 1.00 1.00 S ATOM 0 H CYS A 19 61.967 -5.376 0.857 1.00 1.00 H new ATOM 0 HA CYS A 19 63.905 -7.017 -0.390 1.00 1.00 H new ATOM 0 HB2 CYS A 19 62.697 -9.204 -0.137 1.00 1.00 H new ATOM 0 HB3 CYS A 19 63.410 -8.651 1.365 1.00 1.00 H new ATOM 0 HG CYS A 19 60.138 -7.898 0.614 1.00 1.00 H new ATOM 261 N GLU A 20 62.046 -5.689 -1.815 1.00 1.00 N ATOM 262 CA GLU A 20 61.171 -5.354 -2.934 1.00 1.00 C ATOM 263 C GLU A 20 61.993 -4.941 -4.150 1.00 1.00 C ATOM 264 O GLU A 20 61.461 -4.389 -5.113 1.00 1.00 O ATOM 265 CB GLU A 20 60.232 -4.213 -2.539 1.00 1.00 C ATOM 266 CG GLU A 20 58.971 -4.787 -1.891 1.00 1.00 C ATOM 267 CD GLU A 20 59.344 -5.615 -0.666 1.00 1.00 C ATOM 268 OE1 GLU A 20 59.999 -5.076 0.212 1.00 1.00 O ATOM 269 OE2 GLU A 20 58.972 -6.775 -0.623 1.00 1.00 O ATOM 0 H GLU A 20 62.751 -4.983 -1.604 1.00 1.00 H new ATOM 0 HA GLU A 20 60.583 -6.236 -3.189 1.00 1.00 H new ATOM 0 HB2 GLU A 20 60.735 -3.539 -1.846 1.00 1.00 H new ATOM 0 HB3 GLU A 20 59.966 -3.626 -3.418 1.00 1.00 H new ATOM 0 HG2 GLU A 20 58.300 -3.978 -1.603 1.00 1.00 H new ATOM 0 HG3 GLU A 20 58.433 -5.406 -2.609 1.00 1.00 H new ATOM 276 N TYR A 21 63.294 -5.212 -4.099 1.00 1.00 N ATOM 277 CA TYR A 21 64.181 -4.864 -5.202 1.00 1.00 C ATOM 278 C TYR A 21 64.357 -6.050 -6.144 1.00 1.00 C ATOM 279 O TYR A 21 64.389 -5.889 -7.363 1.00 1.00 O ATOM 280 CB TYR A 21 65.545 -4.434 -4.660 1.00 1.00 C ATOM 281 CG TYR A 21 65.486 -2.986 -4.236 1.00 1.00 C ATOM 282 CD1 TYR A 21 65.055 -2.651 -2.946 1.00 1.00 C ATOM 283 CD2 TYR A 21 65.862 -1.978 -5.131 1.00 1.00 C ATOM 284 CE1 TYR A 21 65.001 -1.309 -2.552 1.00 1.00 C ATOM 285 CE2 TYR A 21 65.807 -0.636 -4.737 1.00 1.00 C ATOM 286 CZ TYR A 21 65.377 -0.302 -3.448 1.00 1.00 C ATOM 287 OH TYR A 21 65.323 1.022 -3.060 1.00 1.00 O ATOM 0 H TYR A 21 63.754 -5.668 -3.311 1.00 1.00 H new ATOM 0 HA TYR A 21 63.734 -4.039 -5.756 1.00 1.00 H new ATOM 0 HB2 TYR A 21 65.825 -5.061 -3.813 1.00 1.00 H new ATOM 0 HB3 TYR A 21 66.311 -4.569 -5.424 1.00 1.00 H new ATOM 0 HD1 TYR A 21 64.764 -3.429 -2.255 1.00 1.00 H new ATOM 0 HD2 TYR A 21 66.195 -2.236 -6.126 1.00 1.00 H new ATOM 0 HE1 TYR A 21 64.669 -1.051 -1.557 1.00 1.00 H new ATOM 0 HE2 TYR A 21 66.097 0.142 -5.428 1.00 1.00 H new ATOM 0 HH TYR A 21 65.619 1.592 -3.800 1.00 1.00 H new ATOM 297 N THR A 22 64.470 -7.243 -5.568 1.00 1.00 N ATOM 298 CA THR A 22 64.643 -8.452 -6.367 1.00 1.00 C ATOM 299 C THR A 22 63.816 -9.597 -5.790 1.00 1.00 C ATOM 300 O THR A 22 64.135 -10.768 -5.992 1.00 1.00 O ATOM 301 CB THR A 22 66.119 -8.851 -6.397 1.00 1.00 C ATOM 302 OG1 THR A 22 66.907 -7.784 -5.889 1.00 1.00 O ATOM 303 CG2 THR A 22 66.537 -9.157 -7.836 1.00 1.00 C ATOM 0 H THR A 22 64.445 -7.398 -4.560 1.00 1.00 H new ATOM 0 HA THR A 22 64.302 -8.247 -7.382 1.00 1.00 H new ATOM 0 HB THR A 22 66.269 -9.738 -5.781 1.00 1.00 H new ATOM 0 HG1 THR A 22 67.853 -8.039 -5.906 1.00 1.00 H new ATOM 0 HG21 THR A 22 67.589 -9.441 -7.857 1.00 1.00 H new ATOM 0 HG22 THR A 22 65.932 -9.976 -8.224 1.00 1.00 H new ATOM 0 HG23 THR A 22 66.388 -8.272 -8.454 1.00 1.00 H new ATOM 311 N ASP A 23 62.754 -9.250 -5.071 1.00 1.00 N ATOM 312 CA ASP A 23 61.887 -10.257 -4.469 1.00 1.00 C ATOM 313 C ASP A 23 60.421 -9.881 -4.654 1.00 1.00 C ATOM 314 O ASP A 23 59.528 -10.553 -4.139 1.00 1.00 O ATOM 315 CB ASP A 23 62.198 -10.387 -2.977 1.00 1.00 C ATOM 316 CG ASP A 23 63.329 -11.387 -2.765 1.00 1.00 C ATOM 317 OD1 ASP A 23 63.215 -12.495 -3.260 1.00 1.00 O ATOM 318 OD2 ASP A 23 64.294 -11.028 -2.109 1.00 1.00 O ATOM 0 H ASP A 23 62.474 -8.286 -4.891 1.00 1.00 H new ATOM 0 HA ASP A 23 62.070 -11.211 -4.963 1.00 1.00 H new ATOM 0 HB2 ASP A 23 62.479 -9.416 -2.570 1.00 1.00 H new ATOM 0 HB3 ASP A 23 61.308 -10.713 -2.439 1.00 1.00 H new ATOM 323 N TRP A 24 60.181 -8.803 -5.394 1.00 1.00 N ATOM 324 CA TRP A 24 58.818 -8.347 -5.642 1.00 1.00 C ATOM 325 C TRP A 24 58.199 -9.116 -6.805 1.00 1.00 C ATOM 326 O TRP A 24 57.096 -8.801 -7.252 1.00 1.00 O ATOM 327 CB TRP A 24 58.819 -6.851 -5.959 1.00 1.00 C ATOM 328 CG TRP A 24 59.399 -6.630 -7.320 1.00 1.00 C ATOM 329 CD1 TRP A 24 60.709 -6.759 -7.635 1.00 1.00 C ATOM 330 CD2 TRP A 24 58.717 -6.248 -8.549 1.00 1.00 C ATOM 331 NE1 TRP A 24 60.874 -6.479 -8.979 1.00 1.00 N ATOM 332 CE2 TRP A 24 59.675 -6.158 -9.586 1.00 1.00 C ATOM 333 CE3 TRP A 24 57.374 -5.971 -8.862 1.00 1.00 C ATOM 334 CZ2 TRP A 24 59.314 -5.808 -10.887 1.00 1.00 C ATOM 335 CZ3 TRP A 24 57.007 -5.617 -10.170 1.00 1.00 C ATOM 336 CH2 TRP A 24 57.975 -5.536 -11.181 1.00 1.00 C ATOM 0 H TRP A 24 60.906 -8.233 -5.829 1.00 1.00 H new ATOM 0 HA TRP A 24 58.225 -8.528 -4.746 1.00 1.00 H new ATOM 0 HB2 TRP A 24 57.803 -6.459 -5.917 1.00 1.00 H new ATOM 0 HB3 TRP A 24 59.400 -6.310 -5.212 1.00 1.00 H new ATOM 0 HD1 TRP A 24 61.496 -7.035 -6.949 1.00 1.00 H new ATOM 0 HE1 TRP A 24 61.771 -6.506 -9.463 1.00 1.00 H new ATOM 0 HE3 TRP A 24 56.620 -6.031 -8.091 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 60.064 -5.748 -11.662 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 55.973 -5.406 -10.399 1.00 1.00 H new ATOM 0 HH2 TRP A 24 57.686 -5.264 -12.185 1.00 1.00 H new ATOM 347 N LYS A 25 58.914 -10.126 -7.289 1.00 1.00 N ATOM 348 CA LYS A 25 58.423 -10.932 -8.401 1.00 1.00 C ATOM 349 C LYS A 25 58.814 -12.395 -8.217 1.00 1.00 C ATOM 350 O LYS A 25 58.795 -13.177 -9.168 1.00 1.00 O ATOM 351 CB LYS A 25 58.991 -10.410 -9.724 1.00 1.00 C ATOM 352 CG LYS A 25 60.421 -9.901 -9.514 1.00 1.00 C ATOM 353 CD LYS A 25 61.287 -11.019 -8.933 1.00 1.00 C ATOM 354 CE LYS A 25 62.765 -10.670 -9.119 1.00 1.00 C ATOM 355 NZ LYS A 25 63.609 -11.733 -8.503 1.00 1.00 N ATOM 0 H LYS A 25 59.828 -10.405 -6.932 1.00 1.00 H new ATOM 0 HA LYS A 25 57.336 -10.858 -8.423 1.00 1.00 H new ATOM 0 HB2 LYS A 25 58.984 -11.204 -10.471 1.00 1.00 H new ATOM 0 HB3 LYS A 25 58.362 -9.606 -10.108 1.00 1.00 H new ATOM 0 HG2 LYS A 25 60.838 -9.560 -10.461 1.00 1.00 H new ATOM 0 HG3 LYS A 25 60.417 -9.044 -8.840 1.00 1.00 H new ATOM 0 HD2 LYS A 25 61.065 -11.153 -7.874 1.00 1.00 H new ATOM 0 HD3 LYS A 25 61.060 -11.963 -9.428 1.00 1.00 H new ATOM 0 HE2 LYS A 25 62.997 -10.576 -10.180 1.00 1.00 H new ATOM 0 HE3 LYS A 25 62.983 -9.706 -8.659 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 64.309 -12.066 -9.196 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 64.101 -11.348 -7.672 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 63.007 -12.529 -8.211 1.00 1.00 H new ATOM 369 N SER A 26 59.168 -12.759 -6.989 1.00 1.00 N ATOM 370 CA SER A 26 59.562 -14.131 -6.693 1.00 1.00 C ATOM 371 C SER A 26 59.121 -14.524 -5.287 1.00 1.00 C ATOM 372 O SER A 26 57.996 -14.983 -5.084 1.00 1.00 O ATOM 373 CB SER A 26 61.079 -14.277 -6.813 1.00 1.00 C ATOM 374 OG SER A 26 61.705 -13.111 -6.293 1.00 1.00 O ATOM 0 H SER A 26 59.190 -12.128 -6.188 1.00 1.00 H new ATOM 0 HA SER A 26 59.076 -14.791 -7.412 1.00 1.00 H new ATOM 0 HB2 SER A 26 61.415 -15.159 -6.267 1.00 1.00 H new ATOM 0 HB3 SER A 26 61.361 -14.421 -7.856 1.00 1.00 H new ATOM 0 HG SER A 26 62.414 -13.371 -5.668 1.00 1.00 H new ATOM 380 N SER A 27 60.013 -14.342 -4.319 1.00 1.00 N ATOM 381 CA SER A 27 59.704 -14.680 -2.934 1.00 1.00 C ATOM 382 C SER A 27 58.744 -13.659 -2.334 1.00 1.00 C ATOM 383 O SER A 27 58.592 -13.577 -1.115 1.00 1.00 O ATOM 384 CB SER A 27 60.989 -14.723 -2.108 1.00 1.00 C ATOM 385 OG SER A 27 61.792 -15.813 -2.543 1.00 1.00 O ATOM 0 H SER A 27 60.949 -13.965 -4.466 1.00 1.00 H new ATOM 0 HA SER A 27 59.229 -15.661 -2.917 1.00 1.00 H new ATOM 0 HB2 SER A 27 61.537 -13.787 -2.217 1.00 1.00 H new ATOM 0 HB3 SER A 27 60.751 -14.831 -1.050 1.00 1.00 H new ATOM 0 HG SER A 27 62.618 -15.842 -2.016 1.00 1.00 H new ATOM 391 N GLY A 28 58.099 -12.882 -3.198 1.00 1.00 N ATOM 392 CA GLY A 28 57.155 -11.868 -2.742 1.00 1.00 C ATOM 393 C GLY A 28 55.926 -11.822 -3.642 1.00 1.00 C ATOM 394 O GLY A 28 55.302 -10.774 -3.803 1.00 1.00 O ATOM 0 H GLY A 28 58.211 -12.934 -4.210 1.00 1.00 H new ATOM 0 HA2 GLY A 28 56.852 -12.083 -1.717 1.00 1.00 H new ATOM 0 HA3 GLY A 28 57.640 -10.892 -2.733 1.00 1.00 H new ATOM 398 N ALA A 29 55.585 -12.967 -4.228 1.00 1.00 N ATOM 399 CA ALA A 29 54.429 -13.046 -5.112 1.00 1.00 C ATOM 400 C ALA A 29 53.249 -13.693 -4.392 1.00 1.00 C ATOM 401 O ALA A 29 52.137 -13.736 -4.918 1.00 1.00 O ATOM 402 CB ALA A 29 54.778 -13.862 -6.357 1.00 1.00 C ATOM 0 H ALA A 29 56.089 -13.845 -4.107 1.00 1.00 H new ATOM 0 HA ALA A 29 54.151 -12.034 -5.408 1.00 1.00 H new ATOM 0 HB1 ALA A 29 53.909 -13.916 -7.012 1.00 1.00 H new ATOM 0 HB2 ALA A 29 55.602 -13.384 -6.886 1.00 1.00 H new ATOM 0 HB3 ALA A 29 55.073 -14.869 -6.061 1.00 1.00 H new ATOM 408 N LEU A 30 53.502 -14.195 -3.188 1.00 1.00 N ATOM 409 CA LEU A 30 52.455 -14.838 -2.402 1.00 1.00 C ATOM 410 C LEU A 30 52.517 -14.379 -0.948 1.00 1.00 C ATOM 411 O LEU A 30 51.539 -14.495 -0.209 1.00 1.00 O ATOM 412 CB LEU A 30 52.611 -16.359 -2.466 1.00 1.00 C ATOM 413 CG LEU A 30 54.097 -16.723 -2.475 1.00 1.00 C ATOM 414 CD1 LEU A 30 54.306 -18.031 -1.710 1.00 1.00 C ATOM 415 CD2 LEU A 30 54.572 -16.898 -3.919 1.00 1.00 C ATOM 0 H LEU A 30 54.417 -14.170 -2.737 1.00 1.00 H new ATOM 0 HA LEU A 30 51.489 -14.555 -2.820 1.00 1.00 H new ATOM 0 HB2 LEU A 30 52.118 -16.821 -1.611 1.00 1.00 H new ATOM 0 HB3 LEU A 30 52.126 -16.747 -3.362 1.00 1.00 H new ATOM 0 HG LEU A 30 54.668 -15.926 -1.998 1.00 1.00 H new ATOM 0 HD11 LEU A 30 55.365 -18.291 -1.716 1.00 1.00 H new ATOM 0 HD12 LEU A 30 53.968 -17.909 -0.681 1.00 1.00 H new ATOM 0 HD13 LEU A 30 53.734 -18.827 -2.187 1.00 1.00 H new ATOM 0 HD21 LEU A 30 55.631 -17.157 -3.925 1.00 1.00 H new ATOM 0 HD22 LEU A 30 54.001 -17.694 -4.396 1.00 1.00 H new ATOM 0 HD23 LEU A 30 54.423 -15.967 -4.466 1.00 1.00 H new ATOM 427 N ILE A 31 53.671 -13.859 -0.544 1.00 1.00 N ATOM 428 CA ILE A 31 53.846 -13.387 0.823 1.00 1.00 C ATOM 429 C ILE A 31 53.020 -12.120 1.076 1.00 1.00 C ATOM 430 O ILE A 31 52.434 -11.968 2.147 1.00 1.00 O ATOM 431 CB ILE A 31 55.341 -13.139 1.104 1.00 1.00 C ATOM 432 CG1 ILE A 31 55.894 -14.308 1.922 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.551 -11.838 1.893 1.00 1.00 C ATOM 434 CD1 ILE A 31 55.670 -15.616 1.161 1.00 1.00 C ATOM 0 H ILE A 31 54.493 -13.754 -1.139 1.00 1.00 H new ATOM 0 HA ILE A 31 53.486 -14.155 1.507 1.00 1.00 H new ATOM 0 HB ILE A 31 55.861 -13.053 0.150 1.00 1.00 H new ATOM 0 HG12 ILE A 31 56.958 -14.162 2.111 1.00 1.00 H new ATOM 0 HG13 ILE A 31 55.401 -14.351 2.893 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.615 -11.691 2.076 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.162 -10.997 1.319 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.025 -11.901 2.846 1.00 1.00 H new ATOM 0 HD11 ILE A 31 56.064 -16.448 1.744 1.00 1.00 H new ATOM 0 HD12 ILE A 31 54.603 -15.762 0.995 1.00 1.00 H new ATOM 0 HD13 ILE A 31 56.183 -15.571 0.201 1.00 1.00 H new ATOM 446 N PRO A 32 52.960 -11.214 0.128 1.00 1.00 N ATOM 447 CA PRO A 32 52.190 -9.954 0.280 1.00 1.00 C ATOM 448 C PRO A 32 50.727 -10.117 -0.126 1.00 1.00 C ATOM 449 O PRO A 32 49.956 -9.159 -0.104 1.00 1.00 O ATOM 450 CB PRO A 32 52.916 -8.990 -0.657 1.00 1.00 C ATOM 451 CG PRO A 32 53.518 -9.844 -1.730 1.00 1.00 C ATOM 452 CD PRO A 32 53.611 -11.278 -1.189 1.00 1.00 C ATOM 0 HA PRO A 32 52.152 -9.612 1.314 1.00 1.00 H new ATOM 0 HB2 PRO A 32 52.226 -8.260 -1.079 1.00 1.00 H new ATOM 0 HB3 PRO A 32 53.685 -8.431 -0.124 1.00 1.00 H new ATOM 0 HG2 PRO A 32 52.905 -9.814 -2.631 1.00 1.00 H new ATOM 0 HG3 PRO A 32 54.506 -9.474 -2.004 1.00 1.00 H new ATOM 0 HD2 PRO A 32 53.107 -11.985 -1.848 1.00 1.00 H new ATOM 0 HD3 PRO A 32 54.647 -11.605 -1.105 1.00 1.00 H new ATOM 460 N ALA A 33 50.354 -11.338 -0.495 1.00 1.00 N ATOM 461 CA ALA A 33 48.982 -11.615 -0.903 1.00 1.00 C ATOM 462 C ALA A 33 48.134 -12.014 0.300 1.00 1.00 C ATOM 463 O ALA A 33 46.938 -12.272 0.172 1.00 1.00 O ATOM 464 CB ALA A 33 48.962 -12.742 -1.939 1.00 1.00 C ATOM 0 H ALA A 33 50.977 -12.145 -0.520 1.00 1.00 H new ATOM 0 HA ALA A 33 48.565 -10.709 -1.343 1.00 1.00 H new ATOM 0 HB1 ALA A 33 47.933 -12.943 -2.238 1.00 1.00 H new ATOM 0 HB2 ALA A 33 49.543 -12.444 -2.812 1.00 1.00 H new ATOM 0 HB3 ALA A 33 49.396 -13.643 -1.505 1.00 1.00 H new ATOM 470 N ILE A 34 48.764 -12.063 1.469 1.00 1.00 N ATOM 471 CA ILE A 34 48.059 -12.431 2.691 1.00 1.00 C ATOM 472 C ILE A 34 48.486 -11.537 3.849 1.00 1.00 C ATOM 473 O ILE A 34 47.657 -10.872 4.470 1.00 1.00 O ATOM 474 CB ILE A 34 48.344 -13.894 3.041 1.00 1.00 C ATOM 475 CG1 ILE A 34 49.234 -14.512 1.959 1.00 1.00 C ATOM 476 CG2 ILE A 34 47.025 -14.669 3.122 1.00 1.00 C ATOM 477 CD1 ILE A 34 49.521 -15.975 2.305 1.00 1.00 C ATOM 0 H ILE A 34 49.754 -11.854 1.596 1.00 1.00 H new ATOM 0 HA ILE A 34 46.990 -12.300 2.522 1.00 1.00 H new ATOM 0 HB ILE A 34 48.852 -13.944 4.004 1.00 1.00 H new ATOM 0 HG12 ILE A 34 48.742 -14.447 0.988 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.168 -13.956 1.881 1.00 1.00 H new ATOM 0 HG21 ILE A 34 47.230 -15.710 3.371 1.00 1.00 H new ATOM 0 HG22 ILE A 34 46.391 -14.229 3.892 1.00 1.00 H new ATOM 0 HG23 ILE A 34 46.514 -14.620 2.160 1.00 1.00 H new ATOM 0 HD11 ILE A 34 50.155 -16.414 1.534 1.00 1.00 H new ATOM 0 HD12 ILE A 34 50.031 -16.028 3.267 1.00 1.00 H new ATOM 0 HD13 ILE A 34 48.583 -16.527 2.361 1.00 1.00 H new ATOM 489 N TYR A 35 49.785 -11.522 4.133 1.00 1.00 N ATOM 490 CA TYR A 35 50.308 -10.702 5.220 1.00 1.00 C ATOM 491 C TYR A 35 49.665 -9.320 5.203 1.00 1.00 C ATOM 492 O TYR A 35 49.481 -8.696 6.248 1.00 1.00 O ATOM 493 CB TYR A 35 51.826 -10.562 5.087 1.00 1.00 C ATOM 494 CG TYR A 35 52.505 -11.680 5.844 1.00 1.00 C ATOM 495 CD1 TYR A 35 52.062 -12.999 5.694 1.00 1.00 C ATOM 496 CD2 TYR A 35 53.579 -11.394 6.695 1.00 1.00 C ATOM 497 CE1 TYR A 35 52.693 -14.034 6.396 1.00 1.00 C ATOM 498 CE2 TYR A 35 54.209 -12.429 7.397 1.00 1.00 C ATOM 499 CZ TYR A 35 53.766 -13.748 7.247 1.00 1.00 C ATOM 500 OH TYR A 35 54.388 -14.768 7.938 1.00 1.00 O ATOM 0 H TYR A 35 50.489 -12.063 3.631 1.00 1.00 H new ATOM 0 HA TYR A 35 50.071 -11.191 6.165 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.114 -10.593 4.036 1.00 1.00 H new ATOM 0 HB3 TYR A 35 52.148 -9.597 5.477 1.00 1.00 H new ATOM 0 HD1 TYR A 35 51.234 -13.219 5.037 1.00 1.00 H new ATOM 0 HD2 TYR A 35 53.921 -10.376 6.810 1.00 1.00 H new ATOM 0 HE1 TYR A 35 52.351 -15.052 6.280 1.00 1.00 H new ATOM 0 HE2 TYR A 35 55.037 -12.209 8.054 1.00 1.00 H new ATOM 0 HH TYR A 35 55.114 -14.399 8.483 1.00 1.00 H new ATOM 510 N MET A 36 49.323 -8.846 4.008 1.00 1.00 N ATOM 511 CA MET A 36 48.700 -7.535 3.868 1.00 1.00 C ATOM 512 C MET A 36 47.267 -7.568 4.391 1.00 1.00 C ATOM 513 O MET A 36 46.773 -6.581 4.936 1.00 1.00 O ATOM 514 CB MET A 36 48.698 -7.112 2.398 1.00 1.00 C ATOM 515 CG MET A 36 50.126 -7.162 1.850 1.00 1.00 C ATOM 516 SD MET A 36 51.128 -5.892 2.662 1.00 1.00 S ATOM 517 CE MET A 36 52.700 -6.789 2.628 1.00 1.00 C ATOM 0 H MET A 36 49.465 -9.346 3.130 1.00 1.00 H new ATOM 0 HA MET A 36 49.274 -6.815 4.452 1.00 1.00 H new ATOM 0 HB2 MET A 36 48.052 -7.772 1.820 1.00 1.00 H new ATOM 0 HB3 MET A 36 48.294 -6.104 2.299 1.00 1.00 H new ATOM 0 HG2 MET A 36 50.559 -8.147 2.022 1.00 1.00 H new ATOM 0 HG3 MET A 36 50.119 -7.001 0.772 1.00 1.00 H new ATOM 0 HE1 MET A 36 53.477 -6.179 3.088 1.00 1.00 H new ATOM 0 HE2 MET A 36 52.598 -7.723 3.180 1.00 1.00 H new ATOM 0 HE3 MET A 36 52.973 -7.006 1.595 1.00 1.00 H new ATOM 527 N LEU A 37 46.606 -8.708 4.219 1.00 1.00 N ATOM 528 CA LEU A 37 45.230 -8.859 4.676 1.00 1.00 C ATOM 529 C LEU A 37 45.179 -8.997 6.195 1.00 1.00 C ATOM 530 O LEU A 37 44.101 -9.056 6.784 1.00 1.00 O ATOM 531 CB LEU A 37 44.598 -10.093 4.028 1.00 1.00 C ATOM 532 CG LEU A 37 44.056 -9.724 2.647 1.00 1.00 C ATOM 533 CD1 LEU A 37 44.078 -10.958 1.743 1.00 1.00 C ATOM 534 CD2 LEU A 37 42.618 -9.218 2.781 1.00 1.00 C ATOM 0 H LEU A 37 46.998 -9.536 3.770 1.00 1.00 H new ATOM 0 HA LEU A 37 44.672 -7.969 4.386 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.337 -10.889 3.939 1.00 1.00 H new ATOM 0 HB3 LEU A 37 43.793 -10.474 4.656 1.00 1.00 H new ATOM 0 HG LEU A 37 44.678 -8.942 2.211 1.00 1.00 H new ATOM 0 HD11 LEU A 37 43.691 -10.695 0.758 1.00 1.00 H new ATOM 0 HD12 LEU A 37 45.102 -11.320 1.646 1.00 1.00 H new ATOM 0 HD13 LEU A 37 43.457 -11.740 2.179 1.00 1.00 H new ATOM 0 HD21 LEU A 37 42.232 -8.955 1.796 1.00 1.00 H new ATOM 0 HD22 LEU A 37 41.996 -10.000 3.218 1.00 1.00 H new ATOM 0 HD23 LEU A 37 42.600 -8.338 3.425 1.00 1.00 H new ATOM 546 N VAL A 38 46.351 -9.047 6.821 1.00 1.00 N ATOM 547 CA VAL A 38 46.426 -9.178 8.273 1.00 1.00 C ATOM 548 C VAL A 38 47.473 -8.227 8.847 1.00 1.00 C ATOM 549 O VAL A 38 47.138 -7.272 9.547 1.00 1.00 O ATOM 550 CB VAL A 38 46.782 -10.616 8.653 1.00 1.00 C ATOM 551 CG1 VAL A 38 45.634 -11.233 9.454 1.00 1.00 C ATOM 552 CG2 VAL A 38 47.014 -11.439 7.383 1.00 1.00 C ATOM 0 H VAL A 38 47.255 -8.999 6.351 1.00 1.00 H new ATOM 0 HA VAL A 38 45.451 -8.922 8.689 1.00 1.00 H new ATOM 0 HB VAL A 38 47.689 -10.615 9.258 1.00 1.00 H new ATOM 0 HG11 VAL A 38 45.889 -12.258 9.724 1.00 1.00 H new ATOM 0 HG12 VAL A 38 45.467 -10.650 10.359 1.00 1.00 H new ATOM 0 HG13 VAL A 38 44.727 -11.232 8.850 1.00 1.00 H new ATOM 0 HG21 VAL A 38 47.268 -12.464 7.655 1.00 1.00 H new ATOM 0 HG22 VAL A 38 46.107 -11.438 6.778 1.00 1.00 H new ATOM 0 HG23 VAL A 38 47.832 -11.002 6.811 1.00 1.00 H new ATOM 562 N PHE A 39 48.739 -8.496 8.545 1.00 1.00 N ATOM 563 CA PHE A 39 49.829 -7.660 9.036 1.00 1.00 C ATOM 564 C PHE A 39 49.449 -6.184 8.962 1.00 1.00 C ATOM 565 O PHE A 39 49.591 -5.447 9.938 1.00 1.00 O ATOM 566 CB PHE A 39 51.090 -7.907 8.208 1.00 1.00 C ATOM 567 CG PHE A 39 52.309 -7.567 9.031 1.00 1.00 C ATOM 568 CD1 PHE A 39 52.909 -8.549 9.829 1.00 1.00 C ATOM 569 CD2 PHE A 39 52.840 -6.273 8.996 1.00 1.00 C ATOM 570 CE1 PHE A 39 54.040 -8.236 10.593 1.00 1.00 C ATOM 571 CE2 PHE A 39 53.971 -5.959 9.759 1.00 1.00 C ATOM 572 CZ PHE A 39 54.572 -6.941 10.557 1.00 1.00 C ATOM 0 H PHE A 39 49.035 -9.282 7.966 1.00 1.00 H new ATOM 0 HA PHE A 39 50.021 -7.921 10.077 1.00 1.00 H new ATOM 0 HB2 PHE A 39 51.131 -8.949 7.891 1.00 1.00 H new ATOM 0 HB3 PHE A 39 51.068 -7.300 7.303 1.00 1.00 H new ATOM 0 HD1 PHE A 39 52.499 -9.548 9.855 1.00 1.00 H new ATOM 0 HD2 PHE A 39 52.377 -5.516 8.380 1.00 1.00 H new ATOM 0 HE1 PHE A 39 54.502 -8.993 11.210 1.00 1.00 H new ATOM 0 HE2 PHE A 39 54.380 -4.960 9.732 1.00 1.00 H new ATOM 0 HZ PHE A 39 55.446 -6.699 11.144 1.00 1.00 H new ATOM 582 N LEU A 40 48.965 -5.760 7.799 1.00 1.00 N ATOM 583 CA LEU A 40 48.568 -4.370 7.607 1.00 1.00 C ATOM 584 C LEU A 40 47.049 -4.235 7.668 1.00 1.00 C ATOM 585 O LEU A 40 46.412 -3.833 6.694 1.00 1.00 O ATOM 586 CB LEU A 40 49.078 -3.862 6.257 1.00 1.00 C ATOM 587 CG LEU A 40 50.542 -3.442 6.390 1.00 1.00 C ATOM 588 CD1 LEU A 40 51.276 -3.719 5.077 1.00 1.00 C ATOM 589 CD2 LEU A 40 50.615 -1.947 6.708 1.00 1.00 C ATOM 0 H LEU A 40 48.839 -6.355 6.980 1.00 1.00 H new ATOM 0 HA LEU A 40 49.006 -3.771 8.406 1.00 1.00 H new ATOM 0 HB2 LEU A 40 48.980 -4.642 5.502 1.00 1.00 H new ATOM 0 HB3 LEU A 40 48.475 -3.017 5.923 1.00 1.00 H new ATOM 0 HG LEU A 40 51.011 -4.010 7.194 1.00 1.00 H new ATOM 0 HD11 LEU A 40 52.320 -3.419 5.173 1.00 1.00 H new ATOM 0 HD12 LEU A 40 51.224 -4.784 4.849 1.00 1.00 H new ATOM 0 HD13 LEU A 40 50.808 -3.152 4.272 1.00 1.00 H new ATOM 0 HD21 LEU A 40 51.658 -1.646 6.803 1.00 1.00 H new ATOM 0 HD22 LEU A 40 50.146 -1.381 5.904 1.00 1.00 H new ATOM 0 HD23 LEU A 40 50.093 -1.748 7.644 1.00 1.00 H new ATOM 601 N LEU A 41 46.475 -4.576 8.817 1.00 1.00 N ATOM 602 CA LEU A 41 45.031 -4.489 8.994 1.00 1.00 C ATOM 603 C LEU A 41 44.664 -4.709 10.458 1.00 1.00 C ATOM 604 O LEU A 41 44.104 -3.828 11.108 1.00 1.00 O ATOM 605 CB LEU A 41 44.337 -5.538 8.115 1.00 1.00 C ATOM 606 CG LEU A 41 42.846 -5.632 8.466 1.00 1.00 C ATOM 607 CD1 LEU A 41 42.224 -4.234 8.483 1.00 1.00 C ATOM 608 CD2 LEU A 41 42.132 -6.487 7.416 1.00 1.00 C ATOM 0 H LEU A 41 46.984 -4.913 9.634 1.00 1.00 H new ATOM 0 HA LEU A 41 44.697 -3.495 8.697 1.00 1.00 H new ATOM 0 HB2 LEU A 41 44.453 -5.275 7.064 1.00 1.00 H new ATOM 0 HB3 LEU A 41 44.811 -6.509 8.255 1.00 1.00 H new ATOM 0 HG LEU A 41 42.738 -6.086 9.451 1.00 1.00 H new ATOM 0 HD11 LEU A 41 41.166 -4.310 8.733 1.00 1.00 H new ATOM 0 HD12 LEU A 41 42.730 -3.620 9.228 1.00 1.00 H new ATOM 0 HD13 LEU A 41 42.333 -3.775 7.500 1.00 1.00 H new ATOM 0 HD21 LEU A 41 41.072 -6.556 7.662 1.00 1.00 H new ATOM 0 HD22 LEU A 41 42.247 -6.029 6.434 1.00 1.00 H new ATOM 0 HD23 LEU A 41 42.567 -7.486 7.403 1.00 1.00 H new ATOM 620 N GLY A 42 44.988 -5.892 10.971 1.00 1.00 N ATOM 621 CA GLY A 42 44.690 -6.218 12.360 1.00 1.00 C ATOM 622 C GLY A 42 45.644 -5.497 13.307 1.00 1.00 C ATOM 623 O GLY A 42 45.917 -5.973 14.409 1.00 1.00 O ATOM 0 H GLY A 42 45.453 -6.635 10.450 1.00 1.00 H new ATOM 0 HA2 GLY A 42 43.662 -5.938 12.591 1.00 1.00 H new ATOM 0 HA3 GLY A 42 44.768 -7.295 12.509 1.00 1.00 H new ATOM 627 N THR A 43 46.149 -4.349 12.870 1.00 1.00 N ATOM 628 CA THR A 43 47.072 -3.570 13.687 1.00 1.00 C ATOM 629 C THR A 43 47.238 -2.165 13.115 1.00 1.00 C ATOM 630 O THR A 43 46.490 -1.251 13.462 1.00 1.00 O ATOM 631 CB THR A 43 48.434 -4.267 13.744 1.00 1.00 C ATOM 632 OG1 THR A 43 49.458 -3.291 13.876 1.00 1.00 O ATOM 633 CG2 THR A 43 48.653 -5.069 12.461 1.00 1.00 C ATOM 0 H THR A 43 45.937 -3.939 11.960 1.00 1.00 H new ATOM 0 HA THR A 43 46.662 -3.493 14.694 1.00 1.00 H new ATOM 0 HB THR A 43 48.462 -4.942 14.600 1.00 1.00 H new ATOM 0 HG1 THR A 43 50.260 -3.591 13.399 1.00 1.00 H new ATOM 0 HG21 THR A 43 49.623 -5.565 12.503 1.00 1.00 H new ATOM 0 HG22 THR A 43 47.867 -5.818 12.361 1.00 1.00 H new ATOM 0 HG23 THR A 43 48.625 -4.397 11.603 1.00 1.00 H new ATOM 641 N THR A 44 48.223 -2.002 12.238 1.00 1.00 N ATOM 642 CA THR A 44 48.479 -0.704 11.624 1.00 1.00 C ATOM 643 C THR A 44 48.348 0.414 12.654 1.00 1.00 C ATOM 644 O THR A 44 48.122 1.572 12.301 1.00 1.00 O ATOM 645 CB THR A 44 47.492 -0.464 10.480 1.00 1.00 C ATOM 646 OG1 THR A 44 46.444 0.384 10.931 1.00 1.00 O ATOM 647 CG2 THR A 44 46.908 -1.800 10.017 1.00 1.00 C ATOM 0 H THR A 44 48.853 -2.746 11.938 1.00 1.00 H new ATOM 0 HA THR A 44 49.496 -0.704 11.233 1.00 1.00 H new ATOM 0 HB THR A 44 48.010 0.010 9.646 1.00 1.00 H new ATOM 0 HG1 THR A 44 46.804 1.275 11.123 1.00 1.00 H new ATOM 0 HG21 THR A 44 46.205 -1.627 9.202 1.00 1.00 H new ATOM 0 HG22 THR A 44 47.713 -2.448 9.671 1.00 1.00 H new ATOM 0 HG23 THR A 44 46.389 -2.278 10.848 1.00 1.00 H new ATOM 655 N GLY A 45 48.492 0.059 13.926 1.00 1.00 N ATOM 656 CA GLY A 45 48.386 1.039 15.001 1.00 1.00 C ATOM 657 C GLY A 45 47.531 0.503 16.144 1.00 1.00 C ATOM 658 O GLY A 45 48.010 0.332 17.264 1.00 1.00 O ATOM 0 H GLY A 45 48.681 -0.894 14.237 1.00 1.00 H new ATOM 0 HA2 GLY A 45 49.381 1.288 15.371 1.00 1.00 H new ATOM 0 HA3 GLY A 45 47.950 1.961 14.616 1.00 1.00 H new ATOM 662 N ASN A 46 46.261 0.240 15.851 1.00 1.00 N ATOM 663 CA ASN A 46 45.346 -0.278 16.861 1.00 1.00 C ATOM 664 C ASN A 46 45.928 -1.519 17.529 1.00 1.00 C ATOM 665 O ASN A 46 45.458 -1.947 18.583 1.00 1.00 O ATOM 666 CB ASN A 46 44.002 -0.626 16.219 1.00 1.00 C ATOM 667 CG ASN A 46 43.477 -1.939 16.787 1.00 1.00 C ATOM 668 OD1 ASN A 46 42.820 -1.948 17.829 1.00 1.00 O ATOM 669 ND2 ASN A 46 43.726 -3.057 16.162 1.00 1.00 N ATOM 0 H ASN A 46 45.845 0.376 14.930 1.00 1.00 H new ATOM 0 HA ASN A 46 45.199 0.492 17.618 1.00 1.00 H new ATOM 0 HB2 ASN A 46 43.284 0.173 16.404 1.00 1.00 H new ATOM 0 HB3 ASN A 46 44.116 -0.708 15.138 1.00 1.00 H new ATOM 0 HD21 ASN A 46 43.377 -3.939 16.536 1.00 1.00 H new ATOM 0 HD22 ASN A 46 44.270 -3.049 15.299 1.00 1.00 H new ATOM 676 N GLY A 47 46.954 -2.095 16.909 1.00 1.00 N ATOM 677 CA GLY A 47 47.590 -3.289 17.454 1.00 1.00 C ATOM 678 C GLY A 47 48.804 -2.924 18.302 1.00 1.00 C ATOM 679 O GLY A 47 49.185 -3.666 19.208 1.00 1.00 O ATOM 0 H GLY A 47 47.360 -1.757 16.036 1.00 1.00 H new ATOM 0 HA2 GLY A 47 46.873 -3.843 18.059 1.00 1.00 H new ATOM 0 HA3 GLY A 47 47.895 -3.946 16.640 1.00 1.00 H new ATOM 683 N LEU A 48 49.410 -1.781 18.000 1.00 1.00 N ATOM 684 CA LEU A 48 50.583 -1.330 18.741 1.00 1.00 C ATOM 685 C LEU A 48 50.197 -0.261 19.758 1.00 1.00 C ATOM 686 O LEU A 48 51.055 0.455 20.274 1.00 1.00 O ATOM 687 CB LEU A 48 51.633 -0.766 17.779 1.00 1.00 C ATOM 688 CG LEU A 48 51.303 -1.180 16.342 1.00 1.00 C ATOM 689 CD1 LEU A 48 52.393 -0.664 15.401 1.00 1.00 C ATOM 690 CD2 LEU A 48 51.235 -2.707 16.250 1.00 1.00 C ATOM 0 H LEU A 48 49.112 -1.154 17.253 1.00 1.00 H new ATOM 0 HA LEU A 48 51.002 -2.186 19.270 1.00 1.00 H new ATOM 0 HB2 LEU A 48 51.662 0.321 17.856 1.00 1.00 H new ATOM 0 HB3 LEU A 48 52.623 -1.131 18.053 1.00 1.00 H new ATOM 0 HG LEU A 48 50.341 -0.756 16.055 1.00 1.00 H new ATOM 0 HD11 LEU A 48 52.159 -0.958 14.378 1.00 1.00 H new ATOM 0 HD12 LEU A 48 52.443 0.423 15.464 1.00 1.00 H new ATOM 0 HD13 LEU A 48 53.354 -1.089 15.690 1.00 1.00 H new ATOM 0 HD21 LEU A 48 51.000 -3.000 15.227 1.00 1.00 H new ATOM 0 HD22 LEU A 48 52.197 -3.132 16.537 1.00 1.00 H new ATOM 0 HD23 LEU A 48 50.460 -3.078 16.921 1.00 1.00 H new ATOM 702 N VAL A 49 48.903 -0.158 20.039 1.00 1.00 N ATOM 703 CA VAL A 49 48.416 0.830 20.997 1.00 1.00 C ATOM 704 C VAL A 49 48.112 0.172 22.338 1.00 1.00 C ATOM 705 O VAL A 49 48.707 0.518 23.359 1.00 1.00 O ATOM 706 CB VAL A 49 47.154 1.502 20.455 1.00 1.00 C ATOM 707 CG1 VAL A 49 46.609 2.479 21.499 1.00 1.00 C ATOM 708 CG2 VAL A 49 47.496 2.266 19.174 1.00 1.00 C ATOM 0 H VAL A 49 48.177 -0.740 19.622 1.00 1.00 H new ATOM 0 HA VAL A 49 49.192 1.581 21.144 1.00 1.00 H new ATOM 0 HB VAL A 49 46.402 0.744 20.238 1.00 1.00 H new ATOM 0 HG11 VAL A 49 45.709 2.959 21.114 1.00 1.00 H new ATOM 0 HG12 VAL A 49 46.368 1.937 22.414 1.00 1.00 H new ATOM 0 HG13 VAL A 49 47.361 3.238 21.714 1.00 1.00 H new ATOM 0 HG21 VAL A 49 46.598 2.746 18.786 1.00 1.00 H new ATOM 0 HG22 VAL A 49 48.247 3.025 19.393 1.00 1.00 H new ATOM 0 HG23 VAL A 49 47.887 1.572 18.430 1.00 1.00 H new ATOM 718 N LEU A 50 47.181 -0.778 22.329 1.00 1.00 N ATOM 719 CA LEU A 50 46.808 -1.476 23.554 1.00 1.00 C ATOM 720 C LEU A 50 47.999 -2.246 24.115 1.00 1.00 C ATOM 721 O LEU A 50 47.918 -2.838 25.192 1.00 1.00 O ATOM 722 CB LEU A 50 45.657 -2.445 23.275 1.00 1.00 C ATOM 723 CG LEU A 50 46.123 -3.527 22.301 1.00 1.00 C ATOM 724 CD1 LEU A 50 46.367 -4.831 23.063 1.00 1.00 C ATOM 725 CD2 LEU A 50 45.045 -3.754 21.237 1.00 1.00 C ATOM 0 H LEU A 50 46.676 -1.079 21.496 1.00 1.00 H new ATOM 0 HA LEU A 50 46.489 -0.736 24.288 1.00 1.00 H new ATOM 0 HB2 LEU A 50 45.318 -2.900 24.205 1.00 1.00 H new ATOM 0 HB3 LEU A 50 44.807 -1.906 22.856 1.00 1.00 H new ATOM 0 HG LEU A 50 47.048 -3.208 21.821 1.00 1.00 H new ATOM 0 HD11 LEU A 50 46.699 -5.602 22.368 1.00 1.00 H new ATOM 0 HD12 LEU A 50 47.134 -4.671 23.821 1.00 1.00 H new ATOM 0 HD13 LEU A 50 45.442 -5.150 23.544 1.00 1.00 H new ATOM 0 HD21 LEU A 50 45.377 -4.525 20.542 1.00 1.00 H new ATOM 0 HD22 LEU A 50 44.120 -4.072 21.718 1.00 1.00 H new ATOM 0 HD23 LEU A 50 44.870 -2.826 20.693 1.00 1.00 H new ATOM 737 N TRP A 51 49.105 -2.234 23.379 1.00 1.00 N ATOM 738 CA TRP A 51 50.309 -2.934 23.811 1.00 1.00 C ATOM 739 C TRP A 51 50.975 -2.190 24.964 1.00 1.00 C ATOM 740 O TRP A 51 52.139 -2.432 25.281 1.00 1.00 O ATOM 741 CB TRP A 51 51.290 -3.056 22.645 1.00 1.00 C ATOM 742 CG TRP A 51 51.628 -4.496 22.425 1.00 1.00 C ATOM 743 CD1 TRP A 51 50.757 -5.443 22.005 1.00 1.00 C ATOM 744 CD2 TRP A 51 52.908 -5.167 22.605 1.00 1.00 C ATOM 745 NE1 TRP A 51 51.421 -6.653 21.917 1.00 1.00 N ATOM 746 CE2 TRP A 51 52.750 -6.535 22.275 1.00 1.00 C ATOM 747 CE3 TRP A 51 54.179 -4.728 23.017 1.00 1.00 C ATOM 748 CZ2 TRP A 51 53.814 -7.434 22.353 1.00 1.00 C ATOM 749 CZ3 TRP A 51 55.253 -5.631 23.096 1.00 1.00 C ATOM 750 CH2 TRP A 51 55.070 -6.981 22.765 1.00 1.00 C ATOM 0 H TRP A 51 49.193 -1.750 22.485 1.00 1.00 H new ATOM 0 HA TRP A 51 50.026 -3.930 24.151 1.00 1.00 H new ATOM 0 HB2 TRP A 51 50.852 -2.632 21.741 1.00 1.00 H new ATOM 0 HB3 TRP A 51 52.195 -2.487 22.857 1.00 1.00 H new ATOM 0 HD1 TRP A 51 49.714 -5.280 21.776 1.00 1.00 H new ATOM 0 HE1 TRP A 51 50.983 -7.526 21.624 1.00 1.00 H new ATOM 0 HE3 TRP A 51 54.331 -3.690 23.274 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 53.668 -8.473 22.097 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 56.225 -5.283 23.413 1.00 1.00 H new ATOM 0 HH2 TRP A 51 55.899 -7.670 22.828 1.00 1.00 H new ATOM 761 N THR A 52 50.227 -1.283 25.587 1.00 1.00 N ATOM 762 CA THR A 52 50.755 -0.508 26.704 1.00 1.00 C ATOM 763 C THR A 52 49.728 -0.427 27.829 1.00 1.00 C ATOM 764 O THR A 52 49.862 0.382 28.747 1.00 1.00 O ATOM 765 CB THR A 52 51.114 0.904 26.236 1.00 1.00 C ATOM 766 OG1 THR A 52 51.957 1.519 27.199 1.00 1.00 O ATOM 767 CG2 THR A 52 49.838 1.730 26.069 1.00 1.00 C ATOM 0 H THR A 52 49.261 -1.068 25.339 1.00 1.00 H new ATOM 0 HA THR A 52 51.650 -1.005 27.078 1.00 1.00 H new ATOM 0 HB THR A 52 51.634 0.849 25.279 1.00 1.00 H new ATOM 0 HG1 THR A 52 51.577 1.394 28.094 1.00 1.00 H new ATOM 0 HG21 THR A 52 50.096 2.735 25.736 1.00 1.00 H new ATOM 0 HG22 THR A 52 49.193 1.257 25.329 1.00 1.00 H new ATOM 0 HG23 THR A 52 49.314 1.788 27.023 1.00 1.00 H new ATOM 775 N VAL A 53 48.705 -1.271 27.751 1.00 1.00 N ATOM 776 CA VAL A 53 47.661 -1.287 28.770 1.00 1.00 C ATOM 777 C VAL A 53 47.232 -2.718 29.074 1.00 1.00 C ATOM 778 O VAL A 53 46.909 -3.050 30.214 1.00 1.00 O ATOM 779 CB VAL A 53 46.454 -0.480 28.291 1.00 1.00 C ATOM 780 CG1 VAL A 53 45.247 -0.790 29.179 1.00 1.00 C ATOM 781 CG2 VAL A 53 46.775 1.014 28.374 1.00 1.00 C ATOM 0 H VAL A 53 48.576 -1.948 26.999 1.00 1.00 H new ATOM 0 HA VAL A 53 48.059 -0.839 29.680 1.00 1.00 H new ATOM 0 HB VAL A 53 46.225 -0.748 27.259 1.00 1.00 H new ATOM 0 HG11 VAL A 53 44.387 -0.215 28.837 1.00 1.00 H new ATOM 0 HG12 VAL A 53 45.017 -1.854 29.123 1.00 1.00 H new ATOM 0 HG13 VAL A 53 45.476 -0.522 30.211 1.00 1.00 H new ATOM 0 HG21 VAL A 53 45.915 1.590 28.033 1.00 1.00 H new ATOM 0 HG22 VAL A 53 47.004 1.280 29.406 1.00 1.00 H new ATOM 0 HG23 VAL A 53 47.635 1.237 27.743 1.00 1.00 H new ATOM 791 N PHE A 54 47.229 -3.561 28.045 1.00 1.00 N ATOM 792 CA PHE A 54 46.838 -4.956 28.211 1.00 1.00 C ATOM 793 C PHE A 54 48.066 -5.862 28.211 1.00 1.00 C ATOM 794 O PHE A 54 47.971 -7.051 28.512 1.00 1.00 O ATOM 795 CB PHE A 54 45.896 -5.372 27.080 1.00 1.00 C ATOM 796 CG PHE A 54 44.478 -5.418 27.595 1.00 1.00 C ATOM 797 CD1 PHE A 54 43.696 -4.256 27.599 1.00 1.00 C ATOM 798 CD2 PHE A 54 43.945 -6.622 28.070 1.00 1.00 C ATOM 799 CE1 PHE A 54 42.382 -4.298 28.077 1.00 1.00 C ATOM 800 CE2 PHE A 54 42.630 -6.665 28.548 1.00 1.00 C ATOM 801 CZ PHE A 54 41.848 -5.503 28.552 1.00 1.00 C ATOM 0 H PHE A 54 47.491 -3.304 27.093 1.00 1.00 H new ATOM 0 HA PHE A 54 46.326 -5.058 29.168 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.971 -4.666 26.253 1.00 1.00 H new ATOM 0 HB3 PHE A 54 46.185 -6.349 26.693 1.00 1.00 H new ATOM 0 HD1 PHE A 54 44.108 -3.327 27.233 1.00 1.00 H new ATOM 0 HD2 PHE A 54 44.548 -7.518 28.068 1.00 1.00 H new ATOM 0 HE1 PHE A 54 41.779 -3.402 28.080 1.00 1.00 H new ATOM 0 HE2 PHE A 54 42.218 -7.594 28.914 1.00 1.00 H new ATOM 0 HZ PHE A 54 40.834 -5.536 28.921 1.00 1.00 H new ATOM 811 N ARG A 55 49.216 -5.290 27.872 1.00 1.00 N ATOM 812 CA ARG A 55 50.458 -6.054 27.836 1.00 1.00 C ATOM 813 C ARG A 55 51.298 -5.773 29.078 1.00 1.00 C ATOM 814 O ARG A 55 51.889 -6.683 29.658 1.00 1.00 O ATOM 815 CB ARG A 55 51.259 -5.691 26.584 1.00 1.00 C ATOM 816 CG ARG A 55 52.384 -6.706 26.381 1.00 1.00 C ATOM 817 CD ARG A 55 51.915 -7.812 25.436 1.00 1.00 C ATOM 818 NE ARG A 55 52.997 -8.755 25.200 1.00 1.00 N ATOM 819 CZ ARG A 55 53.220 -9.773 26.025 1.00 1.00 C ATOM 820 NH1 ARG A 55 52.464 -9.941 27.074 1.00 1.00 N ATOM 821 NH2 ARG A 55 54.196 -10.605 25.783 1.00 1.00 N ATOM 0 H ARG A 55 49.314 -4.307 27.620 1.00 1.00 H new ATOM 0 HA ARG A 55 50.208 -7.115 27.813 1.00 1.00 H new ATOM 0 HB2 ARG A 55 50.605 -5.679 25.712 1.00 1.00 H new ATOM 0 HB3 ARG A 55 51.674 -4.688 26.684 1.00 1.00 H new ATOM 0 HG2 ARG A 55 53.264 -6.211 25.969 1.00 1.00 H new ATOM 0 HG3 ARG A 55 52.678 -7.134 27.339 1.00 1.00 H new ATOM 0 HD2 ARG A 55 51.057 -8.330 25.866 1.00 1.00 H new ATOM 0 HD3 ARG A 55 51.586 -7.379 24.491 1.00 1.00 H new ATOM 0 HE ARG A 55 53.597 -8.633 24.384 1.00 1.00 H new ATOM 0 HH11 ARG A 55 51.701 -9.291 27.262 1.00 1.00 H new ATOM 0 HH12 ARG A 55 52.636 -10.722 27.707 1.00 1.00 H new ATOM 0 HH21 ARG A 55 54.786 -10.474 24.962 1.00 1.00 H new ATOM 0 HH22 ARG A 55 54.368 -11.387 26.415 1.00 1.00 H new ATOM 835 N LYS A 56 51.348 -4.507 29.479 1.00 1.00 N ATOM 836 CA LYS A 56 52.122 -4.119 30.651 1.00 1.00 C ATOM 837 C LYS A 56 51.737 -4.974 31.856 1.00 1.00 C ATOM 838 O LYS A 56 52.581 -5.304 32.689 1.00 1.00 O ATOM 839 CB LYS A 56 51.882 -2.643 30.973 1.00 1.00 C ATOM 840 CG LYS A 56 52.333 -1.783 29.790 1.00 1.00 C ATOM 841 CD LYS A 56 53.697 -1.164 30.100 1.00 1.00 C ATOM 842 CE LYS A 56 54.207 -0.409 28.871 1.00 1.00 C ATOM 843 NZ LYS A 56 55.107 0.697 29.305 1.00 1.00 N ATOM 0 H LYS A 56 50.866 -3.738 29.014 1.00 1.00 H new ATOM 0 HA LYS A 56 53.178 -4.275 30.432 1.00 1.00 H new ATOM 0 HB2 LYS A 56 50.825 -2.472 31.179 1.00 1.00 H new ATOM 0 HB3 LYS A 56 52.432 -2.362 31.871 1.00 1.00 H new ATOM 0 HG2 LYS A 56 52.394 -2.391 28.887 1.00 1.00 H new ATOM 0 HG3 LYS A 56 51.601 -0.999 29.597 1.00 1.00 H new ATOM 0 HD2 LYS A 56 53.615 -0.485 30.949 1.00 1.00 H new ATOM 0 HD3 LYS A 56 54.406 -1.943 30.382 1.00 1.00 H new ATOM 0 HE2 LYS A 56 54.743 -1.090 28.209 1.00 1.00 H new ATOM 0 HE3 LYS A 56 53.368 -0.008 28.303 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 55.454 1.210 28.470 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 54.582 1.351 29.920 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 55.914 0.302 29.829 1.00 1.00 H new ATOM 857 N LYS A 57 50.458 -5.326 31.944 1.00 1.00 N ATOM 858 CA LYS A 57 49.975 -6.140 33.052 1.00 1.00 C ATOM 859 C LYS A 57 50.538 -7.555 32.964 1.00 1.00 C ATOM 860 O LYS A 57 50.339 -8.370 33.865 1.00 1.00 O ATOM 861 CB LYS A 57 48.446 -6.196 33.031 1.00 1.00 C ATOM 862 CG LYS A 57 47.888 -4.798 32.758 1.00 1.00 C ATOM 863 CD LYS A 57 46.701 -4.531 33.686 1.00 1.00 C ATOM 864 CE LYS A 57 46.132 -3.140 33.400 1.00 1.00 C ATOM 865 NZ LYS A 57 46.365 -2.257 34.577 1.00 1.00 N ATOM 0 H LYS A 57 49.743 -5.062 31.266 1.00 1.00 H new ATOM 0 HA LYS A 57 50.310 -5.685 33.984 1.00 1.00 H new ATOM 0 HB2 LYS A 57 48.107 -6.891 32.262 1.00 1.00 H new ATOM 0 HB3 LYS A 57 48.072 -6.569 33.985 1.00 1.00 H new ATOM 0 HG2 LYS A 57 48.663 -4.048 32.917 1.00 1.00 H new ATOM 0 HG3 LYS A 57 47.575 -4.717 31.717 1.00 1.00 H new ATOM 0 HD2 LYS A 57 45.931 -5.288 33.536 1.00 1.00 H new ATOM 0 HD3 LYS A 57 47.017 -4.599 34.727 1.00 1.00 H new ATOM 0 HE2 LYS A 57 46.606 -2.716 32.515 1.00 1.00 H new ATOM 0 HE3 LYS A 57 45.065 -3.208 33.189 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 45.978 -1.311 34.383 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 45.893 -2.660 35.412 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 47.386 -2.183 34.759 1.00 1.00 H new ATOM 879 N GLY A 58 51.241 -7.839 31.873 1.00 1.00 N ATOM 880 CA GLY A 58 51.830 -9.159 31.676 1.00 1.00 C ATOM 881 C GLY A 58 53.256 -9.045 31.147 1.00 1.00 C ATOM 882 O GLY A 58 54.175 -8.687 31.884 1.00 1.00 O ATOM 0 H GLY A 58 51.416 -7.178 31.116 1.00 1.00 H new ATOM 0 HA2 GLY A 58 51.830 -9.706 32.619 1.00 1.00 H new ATOM 0 HA3 GLY A 58 51.223 -9.732 30.975 1.00 1.00 H new ATOM 886 N HIS A 59 53.433 -9.353 29.867 1.00 1.00 N ATOM 887 CA HIS A 59 54.753 -9.281 29.249 1.00 1.00 C ATOM 888 C HIS A 59 55.672 -10.356 29.822 1.00 1.00 C ATOM 889 O HIS A 59 56.078 -11.279 29.115 1.00 1.00 O ATOM 890 CB HIS A 59 55.366 -7.900 29.489 1.00 1.00 C ATOM 891 CG HIS A 59 56.135 -7.471 28.268 1.00 1.00 C ATOM 892 ND1 HIS A 59 57.423 -6.965 28.347 1.00 1.00 N ATOM 893 CD2 HIS A 59 55.812 -7.467 26.934 1.00 1.00 C ATOM 894 CE1 HIS A 59 57.824 -6.679 27.095 1.00 1.00 C ATOM 895 NE2 HIS A 59 56.880 -6.967 26.195 1.00 1.00 N ATOM 0 H HIS A 59 52.686 -9.653 29.241 1.00 1.00 H new ATOM 0 HA HIS A 59 54.643 -9.448 28.178 1.00 1.00 H new ATOM 0 HB2 HIS A 59 54.582 -7.176 29.710 1.00 1.00 H new ATOM 0 HB3 HIS A 59 56.026 -7.930 30.356 1.00 1.00 H new ATOM 0 HD2 HIS A 59 54.872 -7.801 26.521 1.00 1.00 H new ATOM 0 HE1 HIS A 59 58.791 -6.267 26.848 1.00 1.00 H new ATOM 0 HE2 HIS A 59 56.931 -6.846 25.183 1.00 1.00 H new ATOM 903 N HIS A 60 55.995 -10.231 31.104 1.00 1.00 N ATOM 904 CA HIS A 60 56.868 -11.198 31.760 1.00 1.00 C ATOM 905 C HIS A 60 56.403 -11.459 33.189 1.00 1.00 C ATOM 906 O HIS A 60 57.099 -12.107 33.970 1.00 1.00 O ATOM 907 CB HIS A 60 58.306 -10.679 31.776 1.00 1.00 C ATOM 908 CG HIS A 60 58.735 -10.344 30.374 1.00 1.00 C ATOM 909 ND1 HIS A 60 58.838 -9.149 29.707 1.00 1.00 N flip ATOM 910 CD2 HIS A 60 59.128 -11.318 29.469 1.00 1.00 C flip ATOM 911 CE1 HIS A 60 59.288 -9.374 28.410 1.00 1.00 C flip ATOM 912 NE2 HIS A 60 59.447 -10.697 28.319 1.00 1.00 N flip ATOM 0 H HIS A 60 55.668 -9.475 31.706 1.00 1.00 H new ATOM 0 HA HIS A 60 56.826 -12.133 31.201 1.00 1.00 H new ATOM 0 HB2 HIS A 60 58.378 -9.796 32.410 1.00 1.00 H new ATOM 0 HB3 HIS A 60 58.971 -11.431 32.201 1.00 1.00 H new ATOM 0 HD1 HIS A 60 58.618 -8.235 30.102 1.00 1.00 H new ATOM 0 HD2 HIS A 60 59.170 -12.381 29.654 1.00 1.00 H new ATOM 0 HE1 HIS A 60 59.470 -8.637 27.642 1.00 1.00 H new ATOM 920 N HIS A 61 55.222 -10.948 33.525 1.00 1.00 N ATOM 921 CA HIS A 61 54.675 -11.130 34.865 1.00 1.00 C ATOM 922 C HIS A 61 55.560 -10.448 35.903 1.00 1.00 C ATOM 923 O HIS A 61 56.573 -11.003 36.326 1.00 1.00 O ATOM 924 CB HIS A 61 54.567 -12.622 35.184 1.00 1.00 C ATOM 925 CG HIS A 61 54.145 -13.371 33.951 1.00 1.00 C ATOM 926 ND1 HIS A 61 55.062 -13.869 33.038 1.00 1.00 N ATOM 927 CD2 HIS A 61 52.908 -13.713 33.463 1.00 1.00 C ATOM 928 CE1 HIS A 61 54.371 -14.479 32.059 1.00 1.00 C ATOM 929 NE2 HIS A 61 53.053 -14.413 32.268 1.00 1.00 N ATOM 0 H HIS A 61 54.630 -10.409 32.893 1.00 1.00 H new ATOM 0 HA HIS A 61 53.684 -10.678 34.898 1.00 1.00 H new ATOM 0 HB2 HIS A 61 55.526 -12.999 35.540 1.00 1.00 H new ATOM 0 HB3 HIS A 61 53.844 -12.782 35.984 1.00 1.00 H new ATOM 0 HD1 HIS A 61 56.077 -13.787 33.098 1.00 1.00 H new ATOM 0 HD2 HIS A 61 51.966 -13.475 33.934 1.00 1.00 H new ATOM 0 HE1 HIS A 61 54.826 -14.963 31.208 1.00 1.00 H new ATOM 937 N HIS A 62 55.163 -9.245 36.310 1.00 1.00 N ATOM 938 CA HIS A 62 55.916 -8.488 37.301 1.00 1.00 C ATOM 939 C HIS A 62 57.386 -8.384 36.906 1.00 1.00 C ATOM 940 O HIS A 62 57.815 -7.380 36.337 1.00 1.00 O ATOM 941 CB HIS A 62 55.792 -9.167 38.663 1.00 1.00 C ATOM 942 CG HIS A 62 56.531 -8.362 39.697 1.00 1.00 C ATOM 943 ND1 HIS A 62 56.828 -8.865 40.954 1.00 1.00 N ATOM 944 CD2 HIS A 62 57.041 -7.087 39.674 1.00 1.00 C ATOM 945 CE1 HIS A 62 57.489 -7.907 41.630 1.00 1.00 C ATOM 946 NE2 HIS A 62 57.645 -6.802 40.895 1.00 1.00 N ATOM 0 H HIS A 62 54.325 -8.775 35.968 1.00 1.00 H new ATOM 0 HA HIS A 62 55.505 -7.480 37.354 1.00 1.00 H new ATOM 0 HB2 HIS A 62 54.742 -9.258 38.941 1.00 1.00 H new ATOM 0 HB3 HIS A 62 56.198 -10.177 38.615 1.00 1.00 H new ATOM 0 HD2 HIS A 62 56.982 -6.409 38.836 1.00 1.00 H new ATOM 0 HE1 HIS A 62 57.849 -8.018 42.642 1.00 1.00 H new ATOM 0 HE2 HIS A 62 58.108 -5.935 41.170 1.00 1.00 H new ATOM 954 N HIS A 63 58.149 -9.425 37.212 1.00 1.00 N ATOM 955 CA HIS A 63 59.566 -9.445 36.886 1.00 1.00 C ATOM 956 C HIS A 63 59.958 -10.796 36.309 1.00 1.00 C ATOM 957 O HIS A 63 59.169 -11.453 35.630 1.00 1.00 O ATOM 958 CB HIS A 63 60.394 -9.166 38.142 1.00 1.00 C ATOM 959 CG HIS A 63 61.689 -8.507 37.754 1.00 1.00 C ATOM 960 ND1 HIS A 63 62.916 -8.962 38.209 1.00 1.00 N ATOM 961 CD2 HIS A 63 61.964 -7.426 36.953 1.00 1.00 C ATOM 962 CE1 HIS A 63 63.865 -8.165 37.684 1.00 1.00 C ATOM 963 NE2 HIS A 63 63.338 -7.212 36.910 1.00 1.00 N ATOM 0 H HIS A 63 57.810 -10.263 37.684 1.00 1.00 H new ATOM 0 HA HIS A 63 59.762 -8.672 36.143 1.00 1.00 H new ATOM 0 HB2 HIS A 63 59.836 -8.523 38.823 1.00 1.00 H new ATOM 0 HB3 HIS A 63 60.592 -10.097 38.674 1.00 1.00 H new ATOM 0 HD2 HIS A 63 61.226 -6.832 36.435 1.00 1.00 H new ATOM 0 HE1 HIS A 63 64.923 -8.282 37.866 1.00 1.00 H new ATOM 0 HE2 HIS A 63 63.836 -6.484 36.398 1.00 1.00 H new ATOM 971 N HIS A 64 61.187 -11.200 36.587 1.00 1.00 N ATOM 972 CA HIS A 64 61.695 -12.477 36.097 1.00 1.00 C ATOM 973 C HIS A 64 61.601 -13.543 37.184 1.00 1.00 C ATOM 974 O HIS A 64 60.524 -13.707 37.734 1.00 1.00 O ATOM 975 CB HIS A 64 63.151 -12.324 35.655 1.00 1.00 C ATOM 976 CG HIS A 64 63.557 -13.523 34.843 1.00 1.00 C ATOM 977 ND1 HIS A 64 62.939 -14.727 34.613 1.00 1.00 N flip ATOM 978 CD2 HIS A 64 64.749 -13.570 34.139 1.00 1.00 C flip ATOM 979 CE1 HIS A 64 63.733 -15.510 33.781 1.00 1.00 C flip ATOM 980 NE2 HIS A 64 64.812 -14.765 33.524 1.00 1.00 N flip ATOM 981 OXT HIS A 64 62.608 -14.179 37.450 1.00 1.00 O ATOM 0 H HIS A 64 61.852 -10.666 37.147 1.00 1.00 H new ATOM 0 HA HIS A 64 61.088 -12.787 35.246 1.00 1.00 H new ATOM 0 HB2 HIS A 64 63.270 -11.415 35.065 1.00 1.00 H new ATOM 0 HB3 HIS A 64 63.798 -12.225 36.526 1.00 1.00 H new ATOM 0 HD2 HIS A 64 65.493 -12.789 34.092 1.00 1.00 H new ATOM 0 HE1 HIS A 64 63.522 -16.506 33.420 1.00 1.00 H new ATOM 0 HE2 HIS A 64 65.588 -15.065 32.934 1.00 1.00 H new TER 989 HIS A 64