USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 HIS : no HD1:sc= -4.14! C(o=-6.3!,f=-10!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -119:sc= -2.2! (180deg=-3.42!) USER MOD Set 2.1: A 23 MET CE :methyl 180:sc= -1.21 (180deg=-0.00752) USER MOD Set 2.2: A 71 HIS :FLIP no HE2:sc= -1.61 F(o=-6.6!,f=-2.8) USER MOD Single : A 24 SER OG : rot 36:sc= 0.372 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc=-0.000383 X(o=-0.00038,f=0) USER MOD Single : A 34 CYS SG : rot -46:sc= -4.38! USER MOD Single : A 35 SER OG : rot 180:sc= -0.914 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 61:sc= 0.134 USER MOD Single : A 54 THR OG1 : rot 120:sc= -3.16 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.362 K(o=-0.36,f=-2.3!) USER MOD Single : A 88 GLN : amide:sc= -4.91! C(o=-4.9!,f=-5.8!) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -4.696 -0.716 0.657 1.00 0.00 N ATOM 2 CA MET A 23 -4.149 0.593 0.970 1.00 0.00 C ATOM 3 C MET A 23 -3.035 0.970 -0.008 1.00 0.00 C ATOM 4 O MET A 23 -1.871 0.642 0.215 1.00 0.00 O ATOM 5 CB MET A 23 -3.597 0.588 2.396 1.00 0.00 C ATOM 6 CG MET A 23 -2.537 -0.501 2.570 1.00 0.00 C ATOM 7 SD MET A 23 -2.564 -1.118 4.245 1.00 0.00 S ATOM 8 CE MET A 23 -3.932 -2.259 4.134 1.00 0.00 C ATOM 0 HA MET A 23 -4.947 1.330 0.883 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.164 1.562 2.626 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.410 0.426 3.104 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.723 -1.316 1.871 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.550 -0.100 2.337 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.087 -2.736 5.102 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.834 -1.719 3.847 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.711 -3.020 3.386 1.00 0.00 H new ATOM 18 N SER A 24 -3.431 1.655 -1.071 1.00 0.00 N ATOM 19 CA SER A 24 -2.480 2.081 -2.084 1.00 0.00 C ATOM 20 C SER A 24 -2.137 3.560 -1.892 1.00 0.00 C ATOM 21 O SER A 24 -2.927 4.434 -2.244 1.00 0.00 O ATOM 22 CB SER A 24 -3.030 1.842 -3.491 1.00 0.00 C ATOM 23 OG SER A 24 -4.315 2.431 -3.669 1.00 0.00 O ATOM 0 H SER A 24 -4.398 1.926 -1.253 1.00 0.00 H new ATOM 0 HA SER A 24 -1.573 1.487 -1.972 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.338 2.253 -4.226 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.093 0.770 -3.678 1.00 0.00 H new ATOM 0 HG SER A 24 -4.358 3.277 -3.176 1.00 0.00 H new ATOM 29 N ILE A 25 -0.958 3.794 -1.334 1.00 0.00 N ATOM 30 CA ILE A 25 -0.502 5.151 -1.091 1.00 0.00 C ATOM 31 C ILE A 25 -0.586 5.953 -2.392 1.00 0.00 C ATOM 32 O ILE A 25 -0.322 5.424 -3.470 1.00 0.00 O ATOM 33 CB ILE A 25 0.893 5.143 -0.463 1.00 0.00 C ATOM 34 CG1 ILE A 25 1.947 4.685 -1.473 1.00 0.00 C ATOM 35 CG2 ILE A 25 0.915 4.297 0.812 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.320 5.820 -2.429 1.00 0.00 C ATOM 0 H ILE A 25 -0.305 3.066 -1.043 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.149 5.647 -0.368 1.00 0.00 H new ATOM 0 HB ILE A 25 1.144 6.164 -0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.837 4.342 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.567 3.836 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.918 4.308 1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.209 4.708 1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.633 3.271 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.071 5.468 -3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.433 6.144 -2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.723 6.658 -1.860 1.00 0.00 H new ATOM 48 N GLU A 26 -0.954 7.218 -2.247 1.00 0.00 N ATOM 49 CA GLU A 26 -1.076 8.098 -3.396 1.00 0.00 C ATOM 50 C GLU A 26 -0.021 9.205 -3.332 1.00 0.00 C ATOM 51 O GLU A 26 0.540 9.471 -2.270 1.00 0.00 O ATOM 52 CB GLU A 26 -2.484 8.688 -3.488 1.00 0.00 C ATOM 53 CG GLU A 26 -2.904 8.881 -4.947 1.00 0.00 C ATOM 54 CD GLU A 26 -3.208 10.352 -5.240 1.00 0.00 C ATOM 55 OE1 GLU A 26 -2.749 10.826 -6.301 1.00 0.00 O ATOM 56 OE2 GLU A 26 -3.893 10.969 -4.395 1.00 0.00 O ATOM 0 H GLU A 26 -1.172 7.654 -1.351 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.904 7.511 -4.298 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.192 8.028 -2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.516 9.645 -2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.110 8.532 -5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.785 8.275 -5.159 1.00 0.00 H new ATOM 63 N ILE A 27 0.217 9.820 -4.481 1.00 0.00 N ATOM 64 CA ILE A 27 1.194 10.891 -4.569 1.00 0.00 C ATOM 65 C ILE A 27 0.531 12.133 -5.168 1.00 0.00 C ATOM 66 O ILE A 27 -0.202 12.035 -6.151 1.00 0.00 O ATOM 67 CB ILE A 27 2.433 10.425 -5.335 1.00 0.00 C ATOM 68 CG1 ILE A 27 3.245 9.425 -4.509 1.00 0.00 C ATOM 69 CG2 ILE A 27 3.279 11.617 -5.787 1.00 0.00 C ATOM 70 CD1 ILE A 27 3.848 10.097 -3.273 1.00 0.00 C ATOM 0 H ILE A 27 -0.251 9.597 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 27 1.548 11.166 -3.575 1.00 0.00 H new ATOM 0 HB ILE A 27 2.103 9.906 -6.235 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.606 8.597 -4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.041 9.002 -5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.154 11.258 -6.329 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.686 12.258 -6.439 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.601 12.186 -4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.420 9.365 -2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.506 10.909 -3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.048 10.497 -2.650 1.00 0.00 H new ATOM 82 N ASP A 28 0.812 13.271 -4.551 1.00 0.00 N ATOM 83 CA ASP A 28 0.252 14.530 -5.012 1.00 0.00 C ATOM 84 C ASP A 28 1.385 15.532 -5.246 1.00 0.00 C ATOM 85 O ASP A 28 1.761 16.272 -4.339 1.00 0.00 O ATOM 86 CB ASP A 28 -0.697 15.125 -3.970 1.00 0.00 C ATOM 87 CG ASP A 28 -1.910 15.859 -4.545 1.00 0.00 C ATOM 88 OD1 ASP A 28 -1.832 16.242 -5.732 1.00 0.00 O ATOM 89 OD2 ASP A 28 -2.889 16.019 -3.784 1.00 0.00 O ATOM 0 H ASP A 28 1.420 13.348 -3.736 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.298 14.337 -5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.050 14.323 -3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.136 15.818 -3.343 1.00 0.00 H new ATOM 94 N SER A 29 1.897 15.522 -6.468 1.00 0.00 N ATOM 95 CA SER A 29 2.979 16.421 -6.833 1.00 0.00 C ATOM 96 C SER A 29 2.449 17.850 -6.970 1.00 0.00 C ATOM 97 O SER A 29 3.209 18.811 -6.859 1.00 0.00 O ATOM 98 CB SER A 29 3.649 15.976 -8.134 1.00 0.00 C ATOM 99 OG SER A 29 4.934 16.569 -8.303 1.00 0.00 O ATOM 0 H SER A 29 1.583 14.906 -7.218 1.00 0.00 H new ATOM 0 HA SER A 29 3.728 16.393 -6.042 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.747 14.890 -8.138 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.013 16.242 -8.979 1.00 0.00 H new ATOM 0 HG SER A 29 5.329 16.259 -9.144 1.00 0.00 H new ATOM 105 N GLU A 30 1.150 17.944 -7.210 1.00 0.00 N ATOM 106 CA GLU A 30 0.509 19.239 -7.364 1.00 0.00 C ATOM 107 C GLU A 30 0.903 20.166 -6.211 1.00 0.00 C ATOM 108 O GLU A 30 1.327 21.298 -6.438 1.00 0.00 O ATOM 109 CB GLU A 30 -1.011 19.092 -7.454 1.00 0.00 C ATOM 110 CG GLU A 30 -1.478 19.116 -8.911 1.00 0.00 C ATOM 111 CD GLU A 30 -2.844 18.443 -9.060 1.00 0.00 C ATOM 112 OE1 GLU A 30 -3.836 19.193 -9.186 1.00 0.00 O ATOM 113 OE2 GLU A 30 -2.865 17.193 -9.044 1.00 0.00 O ATOM 0 H GLU A 30 0.523 17.144 -7.302 1.00 0.00 H new ATOM 0 HA GLU A 30 0.853 19.684 -8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.318 18.157 -6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.492 19.899 -6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.536 20.147 -9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.747 18.607 -9.539 1.00 0.00 H new ATOM 120 N GLN A 31 0.748 19.651 -5.001 1.00 0.00 N ATOM 121 CA GLN A 31 1.081 20.418 -3.813 1.00 0.00 C ATOM 122 C GLN A 31 2.303 19.814 -3.117 1.00 0.00 C ATOM 123 O GLN A 31 3.014 20.508 -2.392 1.00 0.00 O ATOM 124 CB GLN A 31 -0.111 20.496 -2.857 1.00 0.00 C ATOM 125 CG GLN A 31 -0.946 21.750 -3.123 1.00 0.00 C ATOM 126 CD GLN A 31 -1.226 22.508 -1.824 1.00 0.00 C ATOM 127 OE1 GLN A 31 -1.754 21.972 -0.864 1.00 0.00 O ATOM 128 NE2 GLN A 31 -0.843 23.782 -1.847 1.00 0.00 N ATOM 0 H GLN A 31 0.396 18.711 -4.817 1.00 0.00 H new ATOM 0 HA GLN A 31 1.326 21.435 -4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.734 19.609 -2.973 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.244 20.503 -1.827 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.419 22.400 -3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.888 21.471 -3.595 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.406 24.168 -2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.986 24.372 -1.028 1.00 0.00 H new ATOM 137 N GLY A 32 2.508 18.528 -3.362 1.00 0.00 N ATOM 138 CA GLY A 32 3.631 17.824 -2.768 1.00 0.00 C ATOM 139 C GLY A 32 3.189 17.020 -1.543 1.00 0.00 C ATOM 140 O GLY A 32 4.023 16.543 -0.775 1.00 0.00 O ATOM 0 H GLY A 32 1.915 17.956 -3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.076 17.155 -3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.401 18.539 -2.479 1.00 0.00 H new ATOM 144 N VAL A 33 1.878 16.896 -1.399 1.00 0.00 N ATOM 145 CA VAL A 33 1.314 16.159 -0.281 1.00 0.00 C ATOM 146 C VAL A 33 1.022 14.722 -0.718 1.00 0.00 C ATOM 147 O VAL A 33 0.826 14.458 -1.903 1.00 0.00 O ATOM 148 CB VAL A 33 0.078 16.884 0.255 1.00 0.00 C ATOM 149 CG1 VAL A 33 -0.612 16.061 1.344 1.00 0.00 C ATOM 150 CG2 VAL A 33 0.441 18.279 0.769 1.00 0.00 C ATOM 0 H VAL A 33 1.190 17.294 -2.038 1.00 0.00 H new ATOM 0 HA VAL A 33 2.027 16.110 0.542 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.624 17.003 -0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.487 16.600 1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.922 15.100 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.081 15.896 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.455 18.773 1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.171 18.192 1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.866 18.867 -0.044 1.00 0.00 H new ATOM 160 N CYS A 34 1.000 13.831 0.263 1.00 0.00 N ATOM 161 CA CYS A 34 0.735 12.428 -0.006 1.00 0.00 C ATOM 162 C CYS A 34 -0.596 12.057 0.652 1.00 0.00 C ATOM 163 O CYS A 34 -0.915 12.545 1.735 1.00 0.00 O ATOM 164 CB CYS A 34 1.879 11.534 0.476 1.00 0.00 C ATOM 165 SG CYS A 34 2.414 12.048 2.148 1.00 0.00 S ATOM 0 H CYS A 34 1.161 14.054 1.245 1.00 0.00 H new ATOM 0 HA CYS A 34 0.665 12.267 -1.082 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.556 10.493 0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.717 11.596 -0.218 1.00 0.00 H new ATOM 0 HG CYS A 34 2.541 13.341 2.185 1.00 0.00 H new ATOM 171 N SER A 35 -1.336 11.196 -0.031 1.00 0.00 N ATOM 172 CA SER A 35 -2.625 10.753 0.473 1.00 0.00 C ATOM 173 C SER A 35 -2.800 9.255 0.219 1.00 0.00 C ATOM 174 O SER A 35 -2.898 8.824 -0.929 1.00 0.00 O ATOM 175 CB SER A 35 -3.768 11.538 -0.172 1.00 0.00 C ATOM 176 OG SER A 35 -4.225 12.600 0.661 1.00 0.00 O ATOM 0 H SER A 35 -1.068 10.793 -0.929 1.00 0.00 H new ATOM 0 HA SER A 35 -2.654 10.938 1.547 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.435 11.944 -1.127 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.596 10.862 -0.385 1.00 0.00 H new ATOM 0 HG SER A 35 -4.954 13.077 0.212 1.00 0.00 H new ATOM 182 N VAL A 36 -2.834 8.502 1.308 1.00 0.00 N ATOM 183 CA VAL A 36 -2.996 7.061 1.217 1.00 0.00 C ATOM 184 C VAL A 36 -4.469 6.703 1.423 1.00 0.00 C ATOM 185 O VAL A 36 -5.197 7.423 2.105 1.00 0.00 O ATOM 186 CB VAL A 36 -2.067 6.366 2.215 1.00 0.00 C ATOM 187 CG1 VAL A 36 -2.389 6.789 3.650 1.00 0.00 C ATOM 188 CG2 VAL A 36 -2.137 4.845 2.063 1.00 0.00 C ATOM 0 H VAL A 36 -2.752 8.863 2.259 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.711 6.707 0.226 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.046 6.678 1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.715 6.281 4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.263 7.867 3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.419 6.521 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.467 4.376 2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.158 4.508 2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.836 4.566 1.053 1.00 0.00 H new ATOM 198 N GLU A 37 -4.865 5.591 0.821 1.00 0.00 N ATOM 199 CA GLU A 37 -6.238 5.129 0.929 1.00 0.00 C ATOM 200 C GLU A 37 -6.333 3.977 1.932 1.00 0.00 C ATOM 201 O GLU A 37 -5.406 3.179 2.054 1.00 0.00 O ATOM 202 CB GLU A 37 -6.786 4.713 -0.437 1.00 0.00 C ATOM 203 CG GLU A 37 -8.037 5.519 -0.795 1.00 0.00 C ATOM 204 CD GLU A 37 -9.042 4.659 -1.563 1.00 0.00 C ATOM 205 OE1 GLU A 37 -8.635 4.108 -2.609 1.00 0.00 O ATOM 206 OE2 GLU A 37 -10.194 4.571 -1.087 1.00 0.00 O ATOM 0 H GLU A 37 -4.258 4.996 0.257 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.850 5.954 1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.022 4.862 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.024 3.649 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.500 5.901 0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.757 6.383 -1.398 1.00 0.00 H new ATOM 213 N ILE A 38 -7.462 3.928 2.623 1.00 0.00 N ATOM 214 CA ILE A 38 -7.690 2.888 3.611 1.00 0.00 C ATOM 215 C ILE A 38 -9.195 2.725 3.836 1.00 0.00 C ATOM 216 O ILE A 38 -9.987 3.547 3.378 1.00 0.00 O ATOM 217 CB ILE A 38 -6.905 3.182 4.891 1.00 0.00 C ATOM 218 CG1 ILE A 38 -6.324 4.598 4.864 1.00 0.00 C ATOM 219 CG2 ILE A 38 -5.826 2.124 5.128 1.00 0.00 C ATOM 220 CD1 ILE A 38 -5.715 4.966 6.218 1.00 0.00 C ATOM 0 H ILE A 38 -8.229 4.592 2.518 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.316 1.931 3.249 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.594 3.132 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.562 4.668 4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.107 5.311 4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.283 2.357 6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.292 1.143 5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.133 2.117 4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.309 5.977 6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.485 4.919 6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.916 4.265 6.460 1.00 0.00 H new ATOM 232 N GLU A 39 -9.543 1.659 4.542 1.00 0.00 N ATOM 233 CA GLU A 39 -10.939 1.379 4.833 1.00 0.00 C ATOM 234 C GLU A 39 -11.673 2.668 5.205 1.00 0.00 C ATOM 235 O GLU A 39 -12.880 2.782 4.996 1.00 0.00 O ATOM 236 CB GLU A 39 -11.068 0.334 5.944 1.00 0.00 C ATOM 237 CG GLU A 39 -10.644 0.915 7.295 1.00 0.00 C ATOM 238 CD GLU A 39 -9.703 -0.040 8.032 1.00 0.00 C ATOM 239 OE1 GLU A 39 -10.160 -1.162 8.338 1.00 0.00 O ATOM 240 OE2 GLU A 39 -8.549 0.374 8.272 1.00 0.00 O ATOM 0 H GLU A 39 -8.883 0.980 4.921 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.401 0.967 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.099 -0.015 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.451 -0.532 5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.149 1.874 7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.526 1.105 7.906 1.00 0.00 H new ATOM 247 N GLY A 40 -10.914 3.607 5.751 1.00 0.00 N ATOM 248 CA GLY A 40 -11.478 4.885 6.154 1.00 0.00 C ATOM 249 C GLY A 40 -10.507 6.030 5.861 1.00 0.00 C ATOM 250 O GLY A 40 -9.939 6.618 6.780 1.00 0.00 O ATOM 0 H GLY A 40 -9.914 3.509 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.416 5.055 5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.711 4.864 7.219 1.00 0.00 H new ATOM 254 N SER A 41 -10.345 6.312 4.576 1.00 0.00 N ATOM 255 CA SER A 41 -9.453 7.376 4.150 1.00 0.00 C ATOM 256 C SER A 41 -9.567 8.568 5.103 1.00 0.00 C ATOM 257 O SER A 41 -10.670 8.989 5.447 1.00 0.00 O ATOM 258 CB SER A 41 -9.760 7.812 2.716 1.00 0.00 C ATOM 259 OG SER A 41 -9.214 9.094 2.420 1.00 0.00 O ATOM 0 H SER A 41 -10.817 5.821 3.816 1.00 0.00 H new ATOM 0 HA SER A 41 -8.432 6.996 4.174 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.357 7.077 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.840 7.834 2.567 1.00 0.00 H new ATOM 0 HG SER A 41 -9.430 9.336 1.495 1.00 0.00 H new ATOM 265 N ARG A 42 -8.411 9.078 5.503 1.00 0.00 N ATOM 266 CA ARG A 42 -8.367 10.213 6.409 1.00 0.00 C ATOM 267 C ARG A 42 -6.921 10.528 6.795 1.00 0.00 C ATOM 268 O ARG A 42 -6.617 10.721 7.971 1.00 0.00 O ATOM 269 CB ARG A 42 -9.178 9.936 7.677 1.00 0.00 C ATOM 270 CG ARG A 42 -10.583 10.532 7.571 1.00 0.00 C ATOM 271 CD ARG A 42 -11.646 9.498 7.949 1.00 0.00 C ATOM 272 NE ARG A 42 -12.279 9.870 9.234 1.00 0.00 N ATOM 273 CZ ARG A 42 -13.127 9.083 9.910 1.00 0.00 C ATOM 274 NH1 ARG A 42 -13.449 7.875 9.427 1.00 0.00 N ATOM 275 NH2 ARG A 42 -13.653 9.503 11.068 1.00 0.00 N ATOM 0 H ARG A 42 -7.498 8.726 5.216 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.803 11.068 5.892 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.247 8.861 7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.664 10.358 8.541 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.665 11.399 8.226 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.757 10.883 6.554 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.402 9.438 7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.192 8.510 8.030 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.056 10.783 9.630 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.049 7.555 8.545 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.094 7.276 9.941 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.408 10.422 11.436 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.298 8.903 11.582 1.00 0.00 H new ATOM 289 N HIS A 43 -6.068 10.571 5.783 1.00 0.00 N ATOM 290 CA HIS A 43 -4.661 10.860 6.001 1.00 0.00 C ATOM 291 C HIS A 43 -4.236 12.038 5.121 1.00 0.00 C ATOM 292 O HIS A 43 -5.016 12.516 4.300 1.00 0.00 O ATOM 293 CB HIS A 43 -3.808 9.611 5.773 1.00 0.00 C ATOM 294 CG HIS A 43 -3.747 8.683 6.962 1.00 0.00 C ATOM 295 ND1 HIS A 43 -3.532 7.321 6.840 1.00 0.00 N ATOM 296 CD2 HIS A 43 -3.874 8.935 8.297 1.00 0.00 C ATOM 297 CE1 HIS A 43 -3.533 6.787 8.053 1.00 0.00 C ATOM 298 NE2 HIS A 43 -3.745 7.789 8.954 1.00 0.00 N ATOM 0 H HIS A 43 -6.324 10.410 4.809 1.00 0.00 H new ATOM 0 HA HIS A 43 -4.503 11.152 7.039 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.205 9.064 4.918 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.795 9.918 5.513 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.050 9.903 8.743 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.391 5.742 8.287 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -3.796 7.676 9.966 1.00 0.00 H new ATOM 306 N ARG A 44 -3.000 12.470 5.323 1.00 0.00 N ATOM 307 CA ARG A 44 -2.462 13.582 4.558 1.00 0.00 C ATOM 308 C ARG A 44 -1.205 14.133 5.235 1.00 0.00 C ATOM 309 O ARG A 44 -1.192 14.350 6.446 1.00 0.00 O ATOM 310 CB ARG A 44 -3.492 14.705 4.419 1.00 0.00 C ATOM 311 CG ARG A 44 -3.982 14.824 2.975 1.00 0.00 C ATOM 312 CD ARG A 44 -5.477 15.145 2.928 1.00 0.00 C ATOM 313 NE ARG A 44 -5.679 16.610 2.867 1.00 0.00 N ATOM 314 CZ ARG A 44 -6.841 17.196 2.548 1.00 0.00 C ATOM 315 NH1 ARG A 44 -7.912 16.445 2.259 1.00 0.00 N ATOM 316 NH2 ARG A 44 -6.931 18.532 2.518 1.00 0.00 N ATOM 0 H ARG A 44 -2.356 12.070 6.005 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.211 13.210 3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.338 14.511 5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.050 15.650 4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.422 15.605 2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.790 13.892 2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.932 14.670 2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.973 14.738 3.809 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.884 17.211 3.081 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.843 15.428 2.282 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.797 16.891 2.016 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.115 19.103 2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.815 18.978 2.275 1.00 0.00 H new ATOM 330 N ALA A 45 -0.179 14.344 4.424 1.00 0.00 N ATOM 331 CA ALA A 45 1.079 14.866 4.929 1.00 0.00 C ATOM 332 C ALA A 45 2.003 15.185 3.752 1.00 0.00 C ATOM 333 O ALA A 45 1.773 14.725 2.635 1.00 0.00 O ATOM 334 CB ALA A 45 1.698 13.857 5.899 1.00 0.00 C ATOM 0 H ALA A 45 -0.193 14.163 3.420 1.00 0.00 H new ATOM 0 HA ALA A 45 0.916 15.792 5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.642 14.249 6.278 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.015 13.687 6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.878 12.916 5.379 1.00 0.00 H new ATOM 340 N PRO A 46 3.057 15.992 4.051 1.00 0.00 N ATOM 341 CA PRO A 46 4.017 16.378 3.031 1.00 0.00 C ATOM 342 C PRO A 46 4.956 15.218 2.694 1.00 0.00 C ATOM 343 O PRO A 46 5.360 14.465 3.579 1.00 0.00 O ATOM 344 CB PRO A 46 4.743 17.582 3.609 1.00 0.00 C ATOM 345 CG PRO A 46 4.490 17.540 5.108 1.00 0.00 C ATOM 346 CD PRO A 46 3.361 16.555 5.363 1.00 0.00 C ATOM 0 HA PRO A 46 3.543 16.633 2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.810 17.536 3.391 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.369 18.509 3.175 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.391 17.233 5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.224 18.530 5.478 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.664 15.779 6.066 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.491 17.052 5.792 1.00 0.00 H new ATOM 354 N VAL A 47 5.276 15.111 1.413 1.00 0.00 N ATOM 355 CA VAL A 47 6.160 14.056 0.948 1.00 0.00 C ATOM 356 C VAL A 47 7.577 14.320 1.462 1.00 0.00 C ATOM 357 O VAL A 47 8.370 13.392 1.611 1.00 0.00 O ATOM 358 CB VAL A 47 6.087 13.945 -0.576 1.00 0.00 C ATOM 359 CG1 VAL A 47 7.258 13.126 -1.123 1.00 0.00 C ATOM 360 CG2 VAL A 47 4.749 13.351 -1.019 1.00 0.00 C ATOM 0 H VAL A 47 4.939 15.738 0.682 1.00 0.00 H new ATOM 0 HA VAL A 47 5.845 13.091 1.345 1.00 0.00 H new ATOM 0 HB VAL A 47 6.160 14.951 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.182 13.063 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.197 13.609 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.230 12.123 -0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.723 13.283 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.633 12.356 -0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.936 13.991 -0.676 1.00 0.00 H new ATOM 370 N ASP A 48 7.851 15.591 1.717 1.00 0.00 N ATOM 371 CA ASP A 48 9.159 15.989 2.210 1.00 0.00 C ATOM 372 C ASP A 48 9.262 15.651 3.699 1.00 0.00 C ATOM 373 O ASP A 48 10.294 15.892 4.324 1.00 0.00 O ATOM 374 CB ASP A 48 9.371 17.496 2.053 1.00 0.00 C ATOM 375 CG ASP A 48 8.397 18.373 2.843 1.00 0.00 C ATOM 376 OD1 ASP A 48 7.984 19.410 2.281 1.00 0.00 O ATOM 377 OD2 ASP A 48 8.089 17.986 3.991 1.00 0.00 O ATOM 0 H ASP A 48 7.190 16.358 1.592 1.00 0.00 H new ATOM 0 HA ASP A 48 9.914 15.456 1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.388 17.739 2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.290 17.751 0.996 1.00 0.00 H new ATOM 382 N SER A 49 8.179 15.097 4.224 1.00 0.00 N ATOM 383 CA SER A 49 8.136 14.722 5.627 1.00 0.00 C ATOM 384 C SER A 49 7.713 13.258 5.765 1.00 0.00 C ATOM 385 O SER A 49 7.022 12.895 6.715 1.00 0.00 O ATOM 386 CB SER A 49 7.180 15.626 6.409 1.00 0.00 C ATOM 387 OG SER A 49 7.494 17.006 6.241 1.00 0.00 O ATOM 0 H SER A 49 7.325 14.899 3.703 1.00 0.00 H new ATOM 0 HA SER A 49 9.135 14.846 6.045 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.157 15.444 6.079 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.224 15.370 7.468 1.00 0.00 H new ATOM 0 HG SER A 49 7.415 17.247 5.294 1.00 0.00 H new ATOM 393 N LEU A 50 8.147 12.457 4.803 1.00 0.00 N ATOM 394 CA LEU A 50 7.822 11.041 4.805 1.00 0.00 C ATOM 395 C LEU A 50 9.048 10.242 5.252 1.00 0.00 C ATOM 396 O LEU A 50 10.107 10.813 5.506 1.00 0.00 O ATOM 397 CB LEU A 50 7.274 10.615 3.441 1.00 0.00 C ATOM 398 CG LEU A 50 5.861 11.096 3.106 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.459 10.672 1.692 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.856 10.619 4.156 1.00 0.00 C ATOM 0 H LEU A 50 8.721 12.762 4.017 1.00 0.00 H new ATOM 0 HA LEU A 50 7.027 10.833 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.953 10.979 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.287 9.526 3.390 1.00 0.00 H new ATOM 0 HG LEU A 50 5.856 12.186 3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.450 11.026 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.155 11.102 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.485 9.585 1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.860 10.975 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.855 9.530 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.136 11.012 5.133 1.00 0.00 H new ATOM 412 N ARG A 51 8.862 8.933 5.336 1.00 0.00 N ATOM 413 CA ARG A 51 9.940 8.049 5.749 1.00 0.00 C ATOM 414 C ARG A 51 9.628 6.607 5.345 1.00 0.00 C ATOM 415 O ARG A 51 8.522 6.120 5.574 1.00 0.00 O ATOM 416 CB ARG A 51 10.155 8.113 7.262 1.00 0.00 C ATOM 417 CG ARG A 51 11.321 7.218 7.688 1.00 0.00 C ATOM 418 CD ARG A 51 12.522 8.056 8.132 1.00 0.00 C ATOM 419 NE ARG A 51 12.742 7.893 9.586 1.00 0.00 N ATOM 420 CZ ARG A 51 13.502 8.712 10.327 1.00 0.00 C ATOM 421 NH1 ARG A 51 14.119 9.754 9.754 1.00 0.00 N ATOM 422 NH2 ARG A 51 13.645 8.487 11.640 1.00 0.00 N ATOM 0 H ARG A 51 7.982 8.463 5.125 1.00 0.00 H new ATOM 0 HA ARG A 51 10.851 8.380 5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.353 9.142 7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.246 7.801 7.776 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.006 6.567 8.504 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.610 6.572 6.859 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.413 7.749 7.584 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.350 9.106 7.897 1.00 0.00 H new ATOM 0 HE ARG A 51 12.287 7.109 10.054 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.010 9.924 8.754 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.697 10.377 10.318 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.176 7.693 12.075 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.223 9.110 12.204 1.00 0.00 H new ATOM 436 N ILE A 52 10.622 5.964 4.751 1.00 0.00 N ATOM 437 CA ILE A 52 10.468 4.587 4.313 1.00 0.00 C ATOM 438 C ILE A 52 11.269 3.669 5.238 1.00 0.00 C ATOM 439 O ILE A 52 12.373 4.015 5.657 1.00 0.00 O ATOM 440 CB ILE A 52 10.842 4.450 2.836 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.944 5.326 1.959 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.816 2.984 2.398 1.00 0.00 C ATOM 443 CD1 ILE A 52 9.840 4.758 0.542 1.00 0.00 C ATOM 0 H ILE A 52 11.538 6.371 4.563 1.00 0.00 H new ATOM 0 HA ILE A 52 9.425 4.279 4.384 1.00 0.00 H new ATOM 0 HB ILE A 52 11.864 4.807 2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.950 5.393 2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.344 6.339 1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 52 11.086 2.914 1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.529 2.414 2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.815 2.578 2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.196 5.399 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.832 4.716 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.417 3.754 0.582 1.00 0.00 H new ATOM 455 N GLY A 53 10.683 2.518 5.530 1.00 0.00 N ATOM 456 CA GLY A 53 11.329 1.548 6.398 1.00 0.00 C ATOM 457 C GLY A 53 11.016 0.118 5.951 1.00 0.00 C ATOM 458 O GLY A 53 10.286 -0.087 4.982 1.00 0.00 O ATOM 0 H GLY A 53 9.767 2.235 5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.407 1.708 6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.994 1.693 7.425 1.00 0.00 H new ATOM 462 N THR A 54 11.584 -0.833 6.678 1.00 0.00 N ATOM 463 CA THR A 54 11.374 -2.237 6.369 1.00 0.00 C ATOM 464 C THR A 54 10.747 -2.958 7.563 1.00 0.00 C ATOM 465 O THR A 54 11.082 -2.673 8.711 1.00 0.00 O ATOM 466 CB THR A 54 12.717 -2.831 5.937 1.00 0.00 C ATOM 467 OG1 THR A 54 13.101 -2.041 4.815 1.00 0.00 O ATOM 468 CG2 THR A 54 12.575 -4.244 5.367 1.00 0.00 C ATOM 0 H THR A 54 12.189 -0.659 7.480 1.00 0.00 H new ATOM 0 HA THR A 54 10.668 -2.360 5.548 1.00 0.00 H new ATOM 0 HB THR A 54 13.397 -2.850 6.789 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.956 -1.600 5.002 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.556 -4.619 5.076 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.145 -4.900 6.124 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.922 -4.220 4.495 1.00 0.00 H new ATOM 476 N ASP A 55 9.847 -3.879 7.251 1.00 0.00 N ATOM 477 CA ASP A 55 9.169 -4.644 8.284 1.00 0.00 C ATOM 478 C ASP A 55 9.756 -6.056 8.335 1.00 0.00 C ATOM 479 O ASP A 55 9.410 -6.906 7.515 1.00 0.00 O ATOM 480 CB ASP A 55 7.673 -4.764 7.989 1.00 0.00 C ATOM 481 CG ASP A 55 6.752 -4.384 9.150 1.00 0.00 C ATOM 482 OD1 ASP A 55 6.942 -3.271 9.684 1.00 0.00 O ATOM 483 OD2 ASP A 55 5.879 -5.217 9.477 1.00 0.00 O ATOM 0 H ASP A 55 9.571 -4.113 6.297 1.00 0.00 H new ATOM 0 HA ASP A 55 9.308 -4.126 9.233 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.435 -4.131 7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.457 -5.791 7.695 1.00 0.00 H new ATOM 488 N ALA A 56 10.634 -6.263 9.305 1.00 0.00 N ATOM 489 CA ALA A 56 11.272 -7.558 9.474 1.00 0.00 C ATOM 490 C ALA A 56 10.218 -8.593 9.872 1.00 0.00 C ATOM 491 O ALA A 56 10.488 -9.793 9.866 1.00 0.00 O ATOM 492 CB ALA A 56 12.395 -7.443 10.506 1.00 0.00 C ATOM 0 H ALA A 56 10.919 -5.556 9.982 1.00 0.00 H new ATOM 0 HA ALA A 56 11.722 -7.889 8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.873 -8.414 10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.132 -6.717 10.162 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.981 -7.115 11.460 1.00 0.00 H new ATOM 498 N GLU A 57 9.039 -8.091 10.207 1.00 0.00 N ATOM 499 CA GLU A 57 7.943 -8.957 10.607 1.00 0.00 C ATOM 500 C GLU A 57 7.583 -9.917 9.471 1.00 0.00 C ATOM 501 O GLU A 57 7.312 -11.093 9.710 1.00 0.00 O ATOM 502 CB GLU A 57 6.725 -8.138 11.038 1.00 0.00 C ATOM 503 CG GLU A 57 6.746 -7.875 12.546 1.00 0.00 C ATOM 504 CD GLU A 57 5.328 -7.701 13.092 1.00 0.00 C ATOM 505 OE1 GLU A 57 4.504 -7.117 12.355 1.00 0.00 O ATOM 506 OE2 GLU A 57 5.099 -8.154 14.234 1.00 0.00 O ATOM 0 H GLU A 57 8.818 -7.095 10.210 1.00 0.00 H new ATOM 0 HA GLU A 57 8.266 -9.545 11.466 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.711 -7.190 10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.812 -8.670 10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.237 -8.704 13.056 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.332 -6.980 12.755 1.00 0.00 H new ATOM 513 N ALA A 58 7.593 -9.380 8.260 1.00 0.00 N ATOM 514 CA ALA A 58 7.271 -10.174 7.087 1.00 0.00 C ATOM 515 C ALA A 58 8.311 -9.909 5.996 1.00 0.00 C ATOM 516 O ALA A 58 8.146 -10.343 4.857 1.00 0.00 O ATOM 517 CB ALA A 58 5.848 -9.851 6.626 1.00 0.00 C ATOM 0 H ALA A 58 7.819 -8.405 8.066 1.00 0.00 H new ATOM 0 HA ALA A 58 7.304 -11.238 7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.607 -10.447 5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.145 -10.084 7.426 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.778 -8.792 6.378 1.00 0.00 H new ATOM 523 N ARG A 59 9.360 -9.199 6.384 1.00 0.00 N ATOM 524 CA ARG A 59 10.427 -8.871 5.453 1.00 0.00 C ATOM 525 C ARG A 59 9.867 -8.111 4.250 1.00 0.00 C ATOM 526 O ARG A 59 10.135 -8.470 3.104 1.00 0.00 O ATOM 527 CB ARG A 59 11.138 -10.134 4.964 1.00 0.00 C ATOM 528 CG ARG A 59 12.480 -9.791 4.313 1.00 0.00 C ATOM 529 CD ARG A 59 12.754 -10.696 3.111 1.00 0.00 C ATOM 530 NE ARG A 59 14.193 -10.658 2.766 1.00 0.00 N ATOM 531 CZ ARG A 59 14.776 -9.661 2.087 1.00 0.00 C ATOM 532 NH1 ARG A 59 14.047 -8.615 1.676 1.00 0.00 N ATOM 533 NH2 ARG A 59 16.088 -9.711 1.819 1.00 0.00 N ATOM 0 H ARG A 59 9.494 -8.842 7.330 1.00 0.00 H new ATOM 0 HA ARG A 59 11.146 -8.244 5.980 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.299 -10.812 5.802 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.505 -10.657 4.247 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.478 -8.749 3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.281 -9.899 5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.453 -11.719 3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.158 -10.371 2.258 1.00 0.00 H new ATOM 0 HE ARG A 59 14.777 -11.439 3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.048 -8.578 1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.491 -7.856 1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.642 -10.508 2.132 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.532 -8.952 1.302 1.00 0.00 H new ATOM 547 N LEU A 60 9.099 -7.074 4.550 1.00 0.00 N ATOM 548 CA LEU A 60 8.498 -6.260 3.507 1.00 0.00 C ATOM 549 C LEU A 60 8.730 -4.781 3.823 1.00 0.00 C ATOM 550 O LEU A 60 9.029 -4.425 4.962 1.00 0.00 O ATOM 551 CB LEU A 60 7.024 -6.626 3.324 1.00 0.00 C ATOM 552 CG LEU A 60 6.734 -8.085 2.967 1.00 0.00 C ATOM 553 CD1 LEU A 60 5.259 -8.423 3.193 1.00 0.00 C ATOM 554 CD2 LEU A 60 7.182 -8.399 1.538 1.00 0.00 C ATOM 0 H LEU A 60 8.879 -6.779 5.501 1.00 0.00 H new ATOM 0 HA LEU A 60 8.973 -6.460 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.494 -6.386 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.607 -5.992 2.542 1.00 0.00 H new ATOM 0 HG LEU A 60 7.315 -8.722 3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.081 -9.466 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.006 -8.263 4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.639 -7.781 2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.965 -9.442 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.647 -7.755 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.254 -8.223 1.446 1.00 0.00 H new ATOM 566 N SER A 61 8.584 -3.959 2.795 1.00 0.00 N ATOM 567 CA SER A 61 8.774 -2.527 2.948 1.00 0.00 C ATOM 568 C SER A 61 7.503 -1.888 3.512 1.00 0.00 C ATOM 569 O SER A 61 6.397 -2.351 3.238 1.00 0.00 O ATOM 570 CB SER A 61 9.150 -1.874 1.616 1.00 0.00 C ATOM 571 OG SER A 61 10.109 -2.644 0.897 1.00 0.00 O ATOM 0 H SER A 61 8.336 -4.258 1.852 1.00 0.00 H new ATOM 0 HA SER A 61 9.596 -2.364 3.645 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.254 -1.750 1.007 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.550 -0.877 1.801 1.00 0.00 H new ATOM 0 HG SER A 61 10.322 -2.195 0.052 1.00 0.00 H new ATOM 577 N VAL A 62 7.703 -0.833 4.289 1.00 0.00 N ATOM 578 CA VAL A 62 6.586 -0.126 4.893 1.00 0.00 C ATOM 579 C VAL A 62 6.753 1.376 4.658 1.00 0.00 C ATOM 580 O VAL A 62 7.778 1.818 4.142 1.00 0.00 O ATOM 581 CB VAL A 62 6.476 -0.491 6.375 1.00 0.00 C ATOM 582 CG1 VAL A 62 5.802 -1.853 6.556 1.00 0.00 C ATOM 583 CG2 VAL A 62 7.849 -0.465 7.049 1.00 0.00 C ATOM 0 H VAL A 62 8.622 -0.451 4.514 1.00 0.00 H new ATOM 0 HA VAL A 62 5.647 -0.426 4.428 1.00 0.00 H new ATOM 0 HB VAL A 62 5.851 0.259 6.859 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.736 -2.088 7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.800 -1.823 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.389 -2.620 6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.743 -0.728 8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.508 -1.183 6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.276 0.534 6.966 1.00 0.00 H new ATOM 593 N LEU A 63 5.729 2.121 5.049 1.00 0.00 N ATOM 594 CA LEU A 63 5.749 3.565 4.887 1.00 0.00 C ATOM 595 C LEU A 63 5.347 4.227 6.207 1.00 0.00 C ATOM 596 O LEU A 63 4.475 3.727 6.916 1.00 0.00 O ATOM 597 CB LEU A 63 4.880 3.983 3.699 1.00 0.00 C ATOM 598 CG LEU A 63 4.394 5.434 3.702 1.00 0.00 C ATOM 599 CD1 LEU A 63 3.288 5.640 4.739 1.00 0.00 C ATOM 600 CD2 LEU A 63 5.560 6.402 3.907 1.00 0.00 C ATOM 0 H LEU A 63 4.880 1.752 5.478 1.00 0.00 H new ATOM 0 HA LEU A 63 6.756 3.908 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.445 3.812 2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.009 3.329 3.663 1.00 0.00 H new ATOM 0 HG LEU A 63 3.963 5.652 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.961 6.680 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.445 4.990 4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.669 5.398 5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.187 7.426 3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.043 6.193 4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.282 6.277 3.100 1.00 0.00 H new ATOM 612 N TYR A 64 6.001 5.342 6.496 1.00 0.00 N ATOM 613 CA TYR A 64 5.723 6.078 7.717 1.00 0.00 C ATOM 614 C TYR A 64 5.116 7.447 7.406 1.00 0.00 C ATOM 615 O TYR A 64 5.739 8.269 6.736 1.00 0.00 O ATOM 616 CB TYR A 64 7.074 6.277 8.407 1.00 0.00 C ATOM 617 CG TYR A 64 7.464 5.138 9.352 1.00 0.00 C ATOM 618 CD1 TYR A 64 6.889 5.052 10.603 1.00 0.00 C ATOM 619 CD2 TYR A 64 8.391 4.197 8.952 1.00 0.00 C ATOM 620 CE1 TYR A 64 7.256 3.980 11.492 1.00 0.00 C ATOM 621 CE2 TYR A 64 8.758 3.125 9.841 1.00 0.00 C ATOM 622 CZ TYR A 64 8.172 3.070 11.067 1.00 0.00 C ATOM 623 OH TYR A 64 8.519 2.058 11.907 1.00 0.00 O ATOM 0 H TYR A 64 6.723 5.754 5.905 1.00 0.00 H new ATOM 0 HA TYR A 64 5.012 5.534 8.339 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.847 6.385 7.646 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.049 7.210 8.970 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.164 5.789 10.916 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.841 4.265 7.973 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.813 3.901 12.474 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.482 2.382 9.541 1.00 0.00 H new ATOM 0 HH TYR A 64 9.182 1.483 11.470 1.00 0.00 H new ATOM 633 N ILE A 65 3.907 7.651 7.908 1.00 0.00 N ATOM 634 CA ILE A 65 3.209 8.907 7.692 1.00 0.00 C ATOM 635 C ILE A 65 2.703 9.442 9.034 1.00 0.00 C ATOM 636 O ILE A 65 2.241 8.675 9.878 1.00 0.00 O ATOM 637 CB ILE A 65 2.107 8.735 6.645 1.00 0.00 C ATOM 638 CG1 ILE A 65 1.186 9.956 6.612 1.00 0.00 C ATOM 639 CG2 ILE A 65 1.330 7.436 6.874 1.00 0.00 C ATOM 640 CD1 ILE A 65 0.279 9.925 5.380 1.00 0.00 C ATOM 0 H ILE A 65 3.393 6.967 8.464 1.00 0.00 H new ATOM 0 HA ILE A 65 3.889 9.655 7.285 1.00 0.00 H new ATOM 0 HB ILE A 65 2.577 8.660 5.664 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.577 9.981 7.516 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.784 10.867 6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.553 7.338 6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.011 6.588 6.806 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.872 7.456 7.863 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.366 10.804 5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.891 9.924 4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.335 9.025 5.403 1.00 0.00 H new ATOM 652 N ASP A 66 2.807 10.753 9.189 1.00 0.00 N ATOM 653 CA ASP A 66 2.366 11.399 10.414 1.00 0.00 C ATOM 654 C ASP A 66 3.167 10.845 11.594 1.00 0.00 C ATOM 655 O ASP A 66 4.172 11.429 11.995 1.00 0.00 O ATOM 656 CB ASP A 66 0.884 11.126 10.677 1.00 0.00 C ATOM 657 CG ASP A 66 -0.061 12.268 10.298 1.00 0.00 C ATOM 658 OD1 ASP A 66 0.287 13.424 10.621 1.00 0.00 O ATOM 659 OD2 ASP A 66 -1.110 11.958 9.693 1.00 0.00 O ATOM 0 H ASP A 66 3.190 11.386 8.487 1.00 0.00 H new ATOM 0 HA ASP A 66 2.521 12.472 10.305 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.591 10.233 10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.753 10.903 11.736 1.00 0.00 H new ATOM 664 N GLY A 67 2.690 9.725 12.117 1.00 0.00 N ATOM 665 CA GLY A 67 3.348 9.086 13.244 1.00 0.00 C ATOM 666 C GLY A 67 2.849 7.652 13.429 1.00 0.00 C ATOM 667 O GLY A 67 2.853 7.128 14.542 1.00 0.00 O ATOM 0 H GLY A 67 1.856 9.244 11.781 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.426 9.082 13.086 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.161 9.660 14.152 1.00 0.00 H new ATOM 671 N LYS A 68 2.432 7.057 12.321 1.00 0.00 N ATOM 672 CA LYS A 68 1.931 5.693 12.347 1.00 0.00 C ATOM 673 C LYS A 68 2.652 4.869 11.279 1.00 0.00 C ATOM 674 O LYS A 68 3.305 5.425 10.397 1.00 0.00 O ATOM 675 CB LYS A 68 0.407 5.680 12.209 1.00 0.00 C ATOM 676 CG LYS A 68 -0.018 5.054 10.879 1.00 0.00 C ATOM 677 CD LYS A 68 0.512 5.867 9.696 1.00 0.00 C ATOM 678 CE LYS A 68 -0.633 6.337 8.797 1.00 0.00 C ATOM 679 NZ LYS A 68 -0.810 7.802 8.906 1.00 0.00 N ATOM 0 H LYS A 68 2.431 7.494 11.400 1.00 0.00 H new ATOM 0 HA LYS A 68 2.145 5.226 13.308 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.032 5.120 13.035 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.024 6.698 12.275 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.355 4.032 10.819 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.106 5.000 10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.068 6.729 10.063 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.209 5.261 9.117 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.425 6.066 7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.556 5.831 9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.763 8.011 9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.101 8.190 9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.690 8.237 7.969 1.00 0.00 H new ATOM 693 N ARG A 69 2.510 3.557 11.393 1.00 0.00 N ATOM 694 CA ARG A 69 3.140 2.650 10.448 1.00 0.00 C ATOM 695 C ARG A 69 2.094 1.728 9.819 1.00 0.00 C ATOM 696 O ARG A 69 1.158 1.296 10.491 1.00 0.00 O ATOM 697 CB ARG A 69 4.214 1.802 11.131 1.00 0.00 C ATOM 698 CG ARG A 69 5.076 1.073 10.099 1.00 0.00 C ATOM 699 CD ARG A 69 4.418 -0.237 9.661 1.00 0.00 C ATOM 700 NE ARG A 69 5.171 -1.388 10.208 1.00 0.00 N ATOM 701 CZ ARG A 69 4.878 -1.997 11.365 1.00 0.00 C ATOM 702 NH1 ARG A 69 3.846 -1.567 12.105 1.00 0.00 N ATOM 703 NH2 ARG A 69 5.616 -3.034 11.783 1.00 0.00 N ATOM 0 H ARG A 69 1.968 3.100 12.126 1.00 0.00 H new ATOM 0 HA ARG A 69 3.610 3.254 9.672 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.844 2.438 11.752 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.742 1.076 11.794 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.231 1.714 9.231 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.059 0.866 10.522 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.385 -0.269 10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.390 -0.294 8.573 1.00 0.00 H new ATOM 0 HE ARG A 69 5.963 -1.740 9.670 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.285 -0.777 11.787 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.622 -2.030 12.986 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.402 -3.361 11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.392 -3.497 12.664 1.00 0.00 H new ATOM 717 N LEU A 70 2.287 1.453 8.538 1.00 0.00 N ATOM 718 CA LEU A 70 1.372 0.589 7.811 1.00 0.00 C ATOM 719 C LEU A 70 2.123 -0.093 6.666 1.00 0.00 C ATOM 720 O LEU A 70 3.271 0.246 6.383 1.00 0.00 O ATOM 721 CB LEU A 70 0.141 1.375 7.357 1.00 0.00 C ATOM 722 CG LEU A 70 0.279 2.135 6.037 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.919 1.868 5.123 1.00 0.00 C ATOM 724 CD2 LEU A 70 0.489 3.630 6.284 1.00 0.00 C ATOM 0 H LEU A 70 3.064 1.813 7.984 1.00 0.00 H new ATOM 0 HA LEU A 70 0.996 -0.201 8.461 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.696 0.682 7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.118 2.089 8.139 1.00 0.00 H new ATOM 0 HG LEU A 70 1.166 1.766 5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.796 2.420 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.981 0.801 4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.834 2.192 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.584 4.147 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.364 4.032 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.397 3.778 6.869 1.00 0.00 H new ATOM 736 N HIS A 71 1.444 -1.041 6.037 1.00 0.00 N ATOM 737 CA HIS A 71 2.032 -1.774 4.929 1.00 0.00 C ATOM 738 C HIS A 71 1.549 -1.177 3.606 1.00 0.00 C ATOM 739 O HIS A 71 0.348 -1.120 3.347 1.00 0.00 O ATOM 740 CB HIS A 71 1.735 -3.270 5.048 1.00 0.00 C ATOM 741 CG HIS A 71 0.269 -3.594 5.214 1.00 0.00 C ATOM 742 ND1 HIS A 71 -0.531 -3.564 6.318 1.00 0.00 N flip ATOM 743 CD2 HIS A 71 -0.532 -4.004 4.162 1.00 0.00 C flip ATOM 744 CE1 HIS A 71 -1.754 -3.935 5.961 1.00 0.00 C flip ATOM 745 NE2 HIS A 71 -1.756 -4.208 4.624 1.00 0.00 N flip ATOM 0 H HIS A 71 0.491 -1.318 6.274 1.00 0.00 H new ATOM 0 HA HIS A 71 3.117 -1.675 4.958 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.110 -3.776 4.159 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.284 -3.672 5.899 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.239 -3.301 7.259 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.213 -4.135 3.139 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -2.607 -4.009 6.620 1.00 0.00 H new ATOM 753 N ILE A 72 2.511 -0.747 2.802 1.00 0.00 N ATOM 754 CA ILE A 72 2.199 -0.156 1.511 1.00 0.00 C ATOM 755 C ILE A 72 2.855 -0.984 0.405 1.00 0.00 C ATOM 756 O ILE A 72 3.736 -1.799 0.674 1.00 0.00 O ATOM 757 CB ILE A 72 2.593 1.322 1.489 1.00 0.00 C ATOM 758 CG1 ILE A 72 4.114 1.484 1.538 1.00 0.00 C ATOM 759 CG2 ILE A 72 1.899 2.092 2.614 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.577 2.599 0.597 1.00 0.00 C ATOM 0 H ILE A 72 3.506 -0.796 3.019 1.00 0.00 H new ATOM 0 HA ILE A 72 1.124 -0.178 1.331 1.00 0.00 H new ATOM 0 HB ILE A 72 2.252 1.752 0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.427 1.710 2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.593 0.545 1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.197 3.140 2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.818 2.017 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.187 1.668 3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.662 2.694 0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.284 2.358 -0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.116 3.541 0.894 1.00 0.00 H new ATOM 772 N SER A 73 2.399 -0.747 -0.817 1.00 0.00 N ATOM 773 CA SER A 73 2.930 -1.461 -1.965 1.00 0.00 C ATOM 774 C SER A 73 4.429 -1.186 -2.105 1.00 0.00 C ATOM 775 O SER A 73 4.920 -0.155 -1.647 1.00 0.00 O ATOM 776 CB SER A 73 2.196 -1.065 -3.248 1.00 0.00 C ATOM 777 OG SER A 73 1.652 -2.196 -3.922 1.00 0.00 O ATOM 0 H SER A 73 1.668 -0.070 -1.036 1.00 0.00 H new ATOM 0 HA SER A 73 2.776 -2.528 -1.805 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.395 -0.367 -3.006 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.884 -0.543 -3.913 1.00 0.00 H new ATOM 0 HG SER A 73 1.190 -1.902 -4.735 1.00 0.00 H new ATOM 783 N GLU A 74 5.114 -2.125 -2.740 1.00 0.00 N ATOM 784 CA GLU A 74 6.547 -1.997 -2.946 1.00 0.00 C ATOM 785 C GLU A 74 6.839 -0.907 -3.980 1.00 0.00 C ATOM 786 O GLU A 74 7.661 -0.024 -3.742 1.00 0.00 O ATOM 787 CB GLU A 74 7.162 -3.332 -3.369 1.00 0.00 C ATOM 788 CG GLU A 74 6.730 -3.711 -4.787 1.00 0.00 C ATOM 789 CD GLU A 74 7.153 -5.142 -5.125 1.00 0.00 C ATOM 790 OE1 GLU A 74 6.329 -5.844 -5.751 1.00 0.00 O ATOM 791 OE2 GLU A 74 8.290 -5.502 -4.750 1.00 0.00 O ATOM 0 H GLU A 74 4.703 -2.978 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 74 7.006 -1.707 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.249 -3.267 -3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.859 -4.113 -2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.648 -3.617 -4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.172 -3.018 -5.503 1.00 0.00 H new ATOM 798 N GLU A 75 6.149 -1.005 -5.107 1.00 0.00 N ATOM 799 CA GLU A 75 6.324 -0.039 -6.178 1.00 0.00 C ATOM 800 C GLU A 75 5.922 1.359 -5.703 1.00 0.00 C ATOM 801 O GLU A 75 6.605 2.339 -5.998 1.00 0.00 O ATOM 802 CB GLU A 75 5.527 -0.446 -7.419 1.00 0.00 C ATOM 803 CG GLU A 75 4.022 -0.322 -7.170 1.00 0.00 C ATOM 804 CD GLU A 75 3.228 -1.129 -8.200 1.00 0.00 C ATOM 805 OE1 GLU A 75 3.373 -0.815 -9.401 1.00 0.00 O ATOM 806 OE2 GLU A 75 2.493 -2.040 -7.762 1.00 0.00 O ATOM 0 H GLU A 75 5.468 -1.739 -5.302 1.00 0.00 H new ATOM 0 HA GLU A 75 7.378 -0.019 -6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.813 0.184 -8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.771 -1.473 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.786 -0.674 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.727 0.726 -7.218 1.00 0.00 H new ATOM 813 N ASP A 76 4.816 1.407 -4.976 1.00 0.00 N ATOM 814 CA ASP A 76 4.315 2.668 -4.457 1.00 0.00 C ATOM 815 C ASP A 76 5.288 3.204 -3.404 1.00 0.00 C ATOM 816 O ASP A 76 5.436 4.415 -3.250 1.00 0.00 O ATOM 817 CB ASP A 76 2.950 2.487 -3.790 1.00 0.00 C ATOM 818 CG ASP A 76 1.826 3.346 -4.374 1.00 0.00 C ATOM 819 OD1 ASP A 76 2.157 4.239 -5.184 1.00 0.00 O ATOM 820 OD2 ASP A 76 0.662 3.091 -3.996 1.00 0.00 O ATOM 0 H ASP A 76 4.252 0.592 -4.734 1.00 0.00 H new ATOM 0 HA ASP A 76 4.219 3.361 -5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.662 1.438 -3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.048 2.716 -2.729 1.00 0.00 H new ATOM 825 N ALA A 77 5.925 2.275 -2.706 1.00 0.00 N ATOM 826 CA ALA A 77 6.879 2.638 -1.672 1.00 0.00 C ATOM 827 C ALA A 77 8.097 3.300 -2.319 1.00 0.00 C ATOM 828 O ALA A 77 8.729 4.167 -1.718 1.00 0.00 O ATOM 829 CB ALA A 77 7.251 1.395 -0.862 1.00 0.00 C ATOM 0 H ALA A 77 5.799 1.271 -2.836 1.00 0.00 H new ATOM 0 HA ALA A 77 6.441 3.358 -0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.967 1.667 -0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.355 0.980 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.697 0.651 -1.522 1.00 0.00 H new ATOM 835 N GLN A 78 8.391 2.864 -3.535 1.00 0.00 N ATOM 836 CA GLN A 78 9.523 3.403 -4.270 1.00 0.00 C ATOM 837 C GLN A 78 9.187 4.791 -4.819 1.00 0.00 C ATOM 838 O GLN A 78 9.999 5.711 -4.731 1.00 0.00 O ATOM 839 CB GLN A 78 9.948 2.457 -5.394 1.00 0.00 C ATOM 840 CG GLN A 78 11.345 2.809 -5.909 1.00 0.00 C ATOM 841 CD GLN A 78 11.311 3.137 -7.404 1.00 0.00 C ATOM 842 OE1 GLN A 78 10.366 2.831 -8.112 1.00 0.00 O ATOM 843 NE2 GLN A 78 12.393 3.775 -7.842 1.00 0.00 N ATOM 0 H GLN A 78 7.865 2.144 -4.030 1.00 0.00 H new ATOM 0 HA GLN A 78 10.364 3.499 -3.584 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.939 1.429 -5.032 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.230 2.513 -6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.737 3.662 -5.355 1.00 0.00 H new ATOM 0 HG3 GLN A 78 12.023 1.974 -5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 78 13.149 4.001 -7.195 1.00 0.00 H new ATOM 0 HE22 GLN A 78 12.467 4.038 -8.825 1.00 0.00 H new ATOM 852 N ARG A 79 7.989 4.899 -5.374 1.00 0.00 N ATOM 853 CA ARG A 79 7.536 6.159 -5.938 1.00 0.00 C ATOM 854 C ARG A 79 7.609 7.268 -4.886 1.00 0.00 C ATOM 855 O ARG A 79 7.851 8.427 -5.218 1.00 0.00 O ATOM 856 CB ARG A 79 6.099 6.047 -6.452 1.00 0.00 C ATOM 857 CG ARG A 79 6.044 6.229 -7.970 1.00 0.00 C ATOM 858 CD ARG A 79 4.603 6.419 -8.447 1.00 0.00 C ATOM 859 NE ARG A 79 4.584 7.208 -9.700 1.00 0.00 N ATOM 860 CZ ARG A 79 3.479 7.748 -10.231 1.00 0.00 C ATOM 861 NH1 ARG A 79 2.296 7.588 -9.623 1.00 0.00 N ATOM 862 NH2 ARG A 79 3.558 8.448 -11.371 1.00 0.00 N ATOM 0 H ARG A 79 7.318 4.134 -5.445 1.00 0.00 H new ATOM 0 HA ARG A 79 8.191 6.403 -6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.688 5.074 -6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.476 6.800 -5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.643 7.093 -8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.482 5.359 -8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.135 5.449 -8.612 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.021 6.928 -7.678 1.00 0.00 H new ATOM 0 HE ARG A 79 5.468 7.349 -10.189 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.236 7.055 -8.755 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.455 7.999 -10.028 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.459 8.569 -11.834 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.717 8.860 -11.776 1.00 0.00 H new ATOM 876 N LEU A 80 7.396 6.872 -3.640 1.00 0.00 N ATOM 877 CA LEU A 80 7.435 7.818 -2.537 1.00 0.00 C ATOM 878 C LEU A 80 8.808 8.493 -2.499 1.00 0.00 C ATOM 879 O LEU A 80 8.903 9.704 -2.305 1.00 0.00 O ATOM 880 CB LEU A 80 7.051 7.130 -1.226 1.00 0.00 C ATOM 881 CG LEU A 80 5.553 7.036 -0.931 1.00 0.00 C ATOM 882 CD1 LEU A 80 5.225 5.758 -0.157 1.00 0.00 C ATOM 883 CD2 LEU A 80 5.058 8.289 -0.206 1.00 0.00 C ATOM 0 H LEU A 80 7.196 5.909 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 80 6.696 8.605 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.463 6.121 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.530 7.664 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 80 5.021 6.982 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.154 5.716 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.520 4.890 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.768 5.756 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.990 8.197 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.594 8.399 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.237 9.165 -0.830 1.00 0.00 H new ATOM 895 N VAL A 81 9.837 7.680 -2.686 1.00 0.00 N ATOM 896 CA VAL A 81 11.200 8.183 -2.675 1.00 0.00 C ATOM 897 C VAL A 81 11.401 9.125 -3.864 1.00 0.00 C ATOM 898 O VAL A 81 11.942 10.218 -3.710 1.00 0.00 O ATOM 899 CB VAL A 81 12.189 7.015 -2.663 1.00 0.00 C ATOM 900 CG1 VAL A 81 13.610 7.497 -2.963 1.00 0.00 C ATOM 901 CG2 VAL A 81 12.134 6.264 -1.331 1.00 0.00 C ATOM 0 H VAL A 81 9.754 6.676 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 81 11.387 8.759 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 81 11.898 6.321 -3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.293 6.648 -2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.635 7.966 -3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.916 8.221 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.846 5.439 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.388 6.945 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.129 5.872 -1.175 1.00 0.00 H new ATOM 911 N VAL A 82 10.955 8.665 -5.024 1.00 0.00 N ATOM 912 CA VAL A 82 11.079 9.453 -6.239 1.00 0.00 C ATOM 913 C VAL A 82 10.317 10.768 -6.068 1.00 0.00 C ATOM 914 O VAL A 82 10.759 11.812 -6.546 1.00 0.00 O ATOM 915 CB VAL A 82 10.603 8.637 -7.442 1.00 0.00 C ATOM 916 CG1 VAL A 82 10.462 9.521 -8.683 1.00 0.00 C ATOM 917 CG2 VAL A 82 11.541 7.459 -7.712 1.00 0.00 C ATOM 0 H VAL A 82 10.507 7.757 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 82 12.123 9.705 -6.427 1.00 0.00 H new ATOM 0 HB VAL A 82 9.619 8.233 -7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.122 8.916 -9.524 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.736 10.310 -8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.427 9.967 -8.923 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.179 6.896 -8.572 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.544 7.832 -7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.569 6.808 -6.838 1.00 0.00 H new ATOM 927 N ALA A 83 9.185 10.675 -5.386 1.00 0.00 N ATOM 928 CA ALA A 83 8.357 11.845 -5.147 1.00 0.00 C ATOM 929 C ALA A 83 9.112 12.823 -4.244 1.00 0.00 C ATOM 930 O ALA A 83 8.960 14.037 -4.372 1.00 0.00 O ATOM 931 CB ALA A 83 7.019 11.410 -4.545 1.00 0.00 C ATOM 0 H ALA A 83 8.822 9.807 -4.991 1.00 0.00 H new ATOM 0 HA ALA A 83 8.141 12.360 -6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.398 12.288 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.509 10.740 -5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.195 10.892 -3.602 1.00 0.00 H new ATOM 937 N GLY A 84 9.910 12.257 -3.350 1.00 0.00 N ATOM 938 CA GLY A 84 10.689 13.064 -2.426 1.00 0.00 C ATOM 939 C GLY A 84 10.492 12.589 -0.984 1.00 0.00 C ATOM 940 O GLY A 84 10.352 13.403 -0.073 1.00 0.00 O ATOM 0 H GLY A 84 10.034 11.250 -3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.745 13.009 -2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.393 14.110 -2.512 1.00 0.00 H new ATOM 944 N ALA A 85 10.489 11.274 -0.823 1.00 0.00 N ATOM 945 CA ALA A 85 10.312 10.682 0.492 1.00 0.00 C ATOM 946 C ALA A 85 11.654 10.135 0.984 1.00 0.00 C ATOM 947 O ALA A 85 12.534 9.825 0.183 1.00 0.00 O ATOM 948 CB ALA A 85 9.232 9.601 0.424 1.00 0.00 C ATOM 0 H ALA A 85 10.606 10.602 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 85 9.978 11.432 1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.099 9.157 1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.292 10.046 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.534 8.829 -0.284 1.00 0.00 H new ATOM 954 N GLU A 86 11.767 10.033 2.301 1.00 0.00 N ATOM 955 CA GLU A 86 12.987 9.529 2.910 1.00 0.00 C ATOM 956 C GLU A 86 13.224 8.075 2.496 1.00 0.00 C ATOM 957 O GLU A 86 12.275 7.331 2.255 1.00 0.00 O ATOM 958 CB GLU A 86 12.935 9.664 4.433 1.00 0.00 C ATOM 959 CG GLU A 86 14.166 10.406 4.959 1.00 0.00 C ATOM 960 CD GLU A 86 14.228 11.829 4.400 1.00 0.00 C ATOM 961 OE1 GLU A 86 13.501 12.686 4.948 1.00 0.00 O ATOM 962 OE2 GLU A 86 15.001 12.028 3.439 1.00 0.00 O ATOM 0 H GLU A 86 11.035 10.291 2.962 1.00 0.00 H new ATOM 0 HA GLU A 86 13.824 10.129 2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.031 10.199 4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.880 8.675 4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.137 10.440 6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.069 9.863 4.681 1.00 0.00 H new ATOM 969 N ASP A 87 14.497 7.713 2.426 1.00 0.00 N ATOM 970 CA ASP A 87 14.872 6.362 2.046 1.00 0.00 C ATOM 971 C ASP A 87 15.775 5.765 3.127 1.00 0.00 C ATOM 972 O ASP A 87 16.904 6.216 3.317 1.00 0.00 O ATOM 973 CB ASP A 87 15.646 6.356 0.727 1.00 0.00 C ATOM 974 CG ASP A 87 15.318 5.191 -0.209 1.00 0.00 C ATOM 975 OD1 ASP A 87 14.537 4.317 0.224 1.00 0.00 O ATOM 976 OD2 ASP A 87 15.856 5.200 -1.338 1.00 0.00 O ATOM 0 H ASP A 87 15.282 8.333 2.626 1.00 0.00 H new ATOM 0 HA ASP A 87 13.959 5.778 1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.448 7.291 0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.713 6.335 0.949 1.00 0.00 H new ATOM 981 N GLN A 88 15.245 4.759 3.807 1.00 0.00 N ATOM 982 CA GLN A 88 15.990 4.095 4.864 1.00 0.00 C ATOM 983 C GLN A 88 16.122 2.601 4.562 1.00 0.00 C ATOM 984 O GLN A 88 16.888 1.897 5.219 1.00 0.00 O ATOM 985 CB GLN A 88 15.330 4.323 6.226 1.00 0.00 C ATOM 986 CG GLN A 88 14.841 5.767 6.363 1.00 0.00 C ATOM 987 CD GLN A 88 15.976 6.758 6.097 1.00 0.00 C ATOM 988 OE1 GLN A 88 17.142 6.404 6.037 1.00 0.00 O ATOM 989 NE2 GLN A 88 15.571 8.015 5.940 1.00 0.00 N ATOM 0 H GLN A 88 14.309 4.387 3.647 1.00 0.00 H new ATOM 0 HA GLN A 88 16.990 4.527 4.904 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.491 3.638 6.347 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.041 4.099 7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.025 5.946 5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.442 5.926 7.365 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.579 8.243 6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.253 8.751 5.757 1.00 0.00 H new ATOM 998 N ARG A 89 15.365 2.162 3.568 1.00 0.00 N ATOM 999 CA ARG A 89 15.388 0.764 3.171 1.00 0.00 C ATOM 1000 C ARG A 89 16.802 0.354 2.755 1.00 0.00 C ATOM 1001 O ARG A 89 17.194 -0.799 2.929 1.00 0.00 O ATOM 1002 CB ARG A 89 14.426 0.505 2.010 1.00 0.00 C ATOM 1003 CG ARG A 89 13.246 -0.360 2.457 1.00 0.00 C ATOM 1004 CD ARG A 89 13.482 -1.831 2.109 1.00 0.00 C ATOM 1005 NE ARG A 89 14.772 -2.284 2.675 1.00 0.00 N ATOM 1006 CZ ARG A 89 15.282 -3.511 2.496 1.00 0.00 C ATOM 1007 NH1 ARG A 89 14.613 -4.414 1.767 1.00 0.00 N ATOM 1008 NH2 ARG A 89 16.460 -3.834 3.047 1.00 0.00 N ATOM 0 H ARG A 89 14.732 2.749 3.025 1.00 0.00 H new ATOM 0 HA ARG A 89 15.072 0.170 4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.058 1.454 1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.957 0.010 1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.101 -0.256 3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.332 -0.011 1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.669 -2.441 2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.484 -1.961 1.027 1.00 0.00 H new ATOM 0 HE ARG A 89 15.307 -1.621 3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.716 -4.168 1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 89 15.001 -5.348 1.631 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.969 -3.146 3.603 1.00 0.00 H new ATOM 0 HH22 ARG A 89 16.848 -4.767 2.911 1.00 0.00 H new ATOM 1022 N ARG A 90 17.529 1.320 2.214 1.00 0.00 N ATOM 1023 CA ARG A 90 18.891 1.074 1.771 1.00 0.00 C ATOM 1024 C ARG A 90 18.892 0.186 0.525 1.00 0.00 C ATOM 1025 O ARG A 90 19.357 0.600 -0.536 1.00 0.00 O ATOM 1026 CB ARG A 90 19.713 0.399 2.871 1.00 0.00 C ATOM 1027 CG ARG A 90 21.211 0.506 2.578 1.00 0.00 C ATOM 1028 CD ARG A 90 21.876 1.536 3.494 1.00 0.00 C ATOM 1029 NE ARG A 90 22.977 0.902 4.253 1.00 0.00 N ATOM 1030 CZ ARG A 90 22.807 0.221 5.395 1.00 0.00 C ATOM 1031 NH1 ARG A 90 21.580 0.082 5.916 1.00 0.00 N ATOM 1032 NH2 ARG A 90 23.864 -0.321 6.016 1.00 0.00 N ATOM 0 H ARG A 90 17.201 2.275 2.072 1.00 0.00 H new ATOM 0 HA ARG A 90 19.342 2.037 1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 90 19.492 0.864 3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.428 -0.650 2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 90 21.683 -0.467 2.716 1.00 0.00 H new ATOM 0 HG3 ARG A 90 21.362 0.789 1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 90 22.262 2.366 2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 90 21.140 1.951 4.183 1.00 0.00 H new ATOM 0 HE ARG A 90 23.924 0.989 3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 90 20.776 0.494 5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 90 21.451 -0.436 6.785 1.00 0.00 H new ATOM 0 HH21 ARG A 90 24.798 -0.215 5.620 1.00 0.00 H new ATOM 0 HH22 ARG A 90 23.734 -0.839 6.885 1.00 0.00 H new ATOM 1046 N HIS A 91 18.366 -1.018 0.695 1.00 0.00 N ATOM 1047 CA HIS A 91 18.300 -1.967 -0.403 1.00 0.00 C ATOM 1048 C HIS A 91 17.167 -1.575 -1.353 1.00 0.00 C ATOM 1049 O HIS A 91 16.161 -2.277 -1.448 1.00 0.00 O ATOM 1050 CB HIS A 91 18.165 -3.397 0.123 1.00 0.00 C ATOM 1051 CG HIS A 91 19.479 -4.128 0.262 1.00 0.00 C ATOM 1052 ND1 HIS A 91 20.237 -4.093 1.420 1.00 0.00 N ATOM 1053 CD2 HIS A 91 20.161 -4.912 -0.621 1.00 0.00 C ATOM 1054 CE1 HIS A 91 21.324 -4.826 1.230 1.00 0.00 C ATOM 1055 NE2 HIS A 91 21.276 -5.332 -0.036 1.00 0.00 N ATOM 0 H HIS A 91 17.982 -1.358 1.577 1.00 0.00 H new ATOM 0 HA HIS A 91 19.230 -1.937 -0.971 1.00 0.00 H new ATOM 0 HB2 HIS A 91 17.671 -3.371 1.094 1.00 0.00 H new ATOM 0 HB3 HIS A 91 17.517 -3.960 -0.549 1.00 0.00 H new ATOM 0 HD2 HIS A 91 19.847 -5.151 -1.626 1.00 0.00 H new ATOM 0 HE1 HIS A 91 22.110 -4.994 1.951 1.00 0.00 H new ATOM 0 HE2 HIS A 91 21.981 -5.934 -0.463 1.00 0.00 H new ATOM 1063 N LEU A 92 17.368 -0.456 -2.033 1.00 0.00 N ATOM 1064 CA LEU A 92 16.376 0.038 -2.973 1.00 0.00 C ATOM 1065 C LEU A 92 16.914 -0.104 -4.398 1.00 0.00 C ATOM 1066 O LEU A 92 17.854 0.590 -4.782 1.00 0.00 O ATOM 1067 CB LEU A 92 15.960 1.465 -2.612 1.00 0.00 C ATOM 1068 CG LEU A 92 14.761 2.028 -3.378 1.00 0.00 C ATOM 1069 CD1 LEU A 92 15.155 2.419 -4.804 1.00 0.00 C ATOM 1070 CD2 LEU A 92 13.587 1.048 -3.356 1.00 0.00 C ATOM 0 H LEU A 92 18.204 0.123 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 92 15.466 -0.559 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 92 15.733 1.498 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 92 16.813 2.124 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 92 14.431 2.937 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 92 14.284 2.816 -5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.936 3.179 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.526 1.541 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.748 1.473 -3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.888 0.109 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.287 0.863 -2.325 1.00 0.00 H new ATOM 1082 N MET A 93 16.295 -1.008 -5.143 1.00 0.00 N ATOM 1083 CA MET A 93 16.700 -1.251 -6.517 1.00 0.00 C ATOM 1084 C MET A 93 16.880 0.066 -7.276 1.00 0.00 C ATOM 1085 O MET A 93 15.957 0.877 -7.345 1.00 0.00 O ATOM 1086 CB MET A 93 15.642 -2.104 -7.218 1.00 0.00 C ATOM 1087 CG MET A 93 16.155 -3.526 -7.458 1.00 0.00 C ATOM 1088 SD MET A 93 16.078 -3.917 -9.198 1.00 0.00 S ATOM 1089 CE MET A 93 17.450 -5.053 -9.321 1.00 0.00 C ATOM 0 H MET A 93 15.515 -1.581 -4.821 1.00 0.00 H new ATOM 0 HA MET A 93 17.655 -1.777 -6.507 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.737 -2.138 -6.612 1.00 0.00 H new ATOM 0 HB3 MET A 93 15.372 -1.646 -8.169 1.00 0.00 H new ATOM 0 HG2 MET A 93 17.181 -3.616 -7.102 1.00 0.00 H new ATOM 0 HG3 MET A 93 15.556 -4.238 -6.890 1.00 0.00 H new ATOM 0 HE1 MET A 93 17.546 -5.398 -10.351 1.00 0.00 H new ATOM 0 HE2 MET A 93 18.368 -4.548 -9.021 1.00 0.00 H new ATOM 0 HE3 MET A 93 17.275 -5.907 -8.667 1.00 0.00 H new ATOM 1099 N ALA A 94 18.073 0.237 -7.825 1.00 0.00 N ATOM 1100 CA ALA A 94 18.385 1.441 -8.576 1.00 0.00 C ATOM 1101 C ALA A 94 18.896 1.053 -9.965 1.00 0.00 C ATOM 1102 O ALA A 94 20.103 1.006 -10.195 1.00 0.00 O ATOM 1103 CB ALA A 94 19.399 2.281 -7.796 1.00 0.00 C ATOM 0 H ALA A 94 18.835 -0.438 -7.765 1.00 0.00 H new ATOM 0 HA ALA A 94 17.492 2.051 -8.712 1.00 0.00 H new ATOM 0 HB1 ALA A 94 19.633 3.184 -8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 94 18.977 2.555 -6.829 1.00 0.00 H new ATOM 0 HB3 ALA A 94 20.310 1.702 -7.643 1.00 0.00 H new ATOM 1109 N ASP A 95 17.951 0.785 -10.854 1.00 0.00 N ATOM 1110 CA ASP A 95 18.290 0.402 -12.214 1.00 0.00 C ATOM 1111 C ASP A 95 18.891 1.606 -12.943 1.00 0.00 C ATOM 1112 O ASP A 95 19.995 1.523 -13.478 1.00 0.00 O ATOM 1113 CB ASP A 95 17.047 -0.046 -12.986 1.00 0.00 C ATOM 1114 CG ASP A 95 16.171 -1.071 -12.263 1.00 0.00 C ATOM 1115 OD1 ASP A 95 14.962 -0.786 -12.123 1.00 0.00 O ATOM 1116 OD2 ASP A 95 16.730 -2.116 -11.866 1.00 0.00 O ATOM 0 H ASP A 95 16.951 0.826 -10.659 1.00 0.00 H new ATOM 0 HA ASP A 95 19.001 -0.423 -12.165 1.00 0.00 H new ATOM 0 HB2 ASP A 95 16.442 0.832 -13.211 1.00 0.00 H new ATOM 0 HB3 ASP A 95 17.363 -0.469 -13.940 1.00 0.00 H new ATOM 1121 N ASP A 96 18.138 2.696 -12.940 1.00 0.00 N ATOM 1122 CA ASP A 96 18.583 3.914 -13.595 1.00 0.00 C ATOM 1123 C ASP A 96 18.223 5.118 -12.721 1.00 0.00 C ATOM 1124 O ASP A 96 17.047 5.436 -12.550 1.00 0.00 O ATOM 1125 CB ASP A 96 17.897 4.093 -14.951 1.00 0.00 C ATOM 1126 CG ASP A 96 16.368 4.127 -14.903 1.00 0.00 C ATOM 1127 OD1 ASP A 96 15.778 3.028 -14.831 1.00 0.00 O ATOM 1128 OD2 ASP A 96 15.825 5.252 -14.940 1.00 0.00 O ATOM 0 H ASP A 96 17.223 2.761 -12.494 1.00 0.00 H new ATOM 0 HA ASP A 96 19.661 3.843 -13.743 1.00 0.00 H new ATOM 0 HB2 ASP A 96 18.252 5.020 -15.401 1.00 0.00 H new ATOM 0 HB3 ASP A 96 18.207 3.280 -15.608 1.00 0.00 H new TER 1133 ASP A 96