USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 873 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 34 GLN : amide:sc= 0.0899 X(o=0.77,f=0.82) USER MOD Set 1.2: A 64 HIS : no HE2:sc= 0.481 K(o=0.77,f=-3.7!) USER MOD Set 1.3: A 104 TYR OH : rot 178:sc= 0.197 USER MOD Set 2.1: A 66 HIS : no HD1:sc= -0.014 X(o=-0.014,f=0.21) USER MOD Set 2.2: A 95 GLN : amide:sc= 0 X(o=-0.014,f=0.21) USER MOD Set 3.1: A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 71 MET CE :methyl -170:sc= -0.279 (180deg=-0.647) USER MOD Single : A 23 MET CE :methyl -147:sc= -0.0445 (180deg=-0.348) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -0.366 K(o=-0.37,f=-2.2!) USER MOD Single : A 29 SER OG : rot 180:sc= 0.299 USER MOD Single : A 35 SER OG : rot 64:sc= 0.711 USER MOD Single : A 44 ASN : amide:sc= -0.556 K(o=-0.56,f=0.022) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 136:sc= 1.23 USER MOD Single : A 69 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 75 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.26) USER MOD Single : A 77 SER OG : rot 32:sc= 1.13 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 89 SER OG : rot -102:sc= 1.23 USER MOD Single : A 93 GLN : amide:sc= 0.275 X(o=0.28,f=-0.089) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0786 USER MOD Single : A 109 SER OG : rot 180:sc= -0.0247 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -0.465 X(o=-0.47,f=-0.61) USER MOD Single : A 112 THR OG1 : rot -144:sc= 0.674 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -1.17 K(o=-1.2,f=-6.4!) USER MOD Single : A 119 SER OG : rot -113:sc= 1.16 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 2.176 26.260 -7.213 1.00 0.00 N ATOM 2 CA MET A 23 1.914 24.835 -6.968 1.00 0.00 C ATOM 3 C MET A 23 3.226 24.131 -6.675 1.00 0.00 C ATOM 4 O MET A 23 4.098 24.050 -7.547 1.00 0.00 O ATOM 5 CB MET A 23 1.219 24.167 -8.163 1.00 0.00 C ATOM 6 CG MET A 23 -0.304 24.241 -8.077 1.00 0.00 C ATOM 7 SD MET A 23 -1.038 23.216 -6.775 1.00 0.00 S ATOM 8 CE MET A 23 -1.553 24.466 -5.571 1.00 0.00 C ATOM 0 HA MET A 23 1.243 24.755 -6.113 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.550 24.646 -9.085 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.525 23.122 -8.218 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.595 25.278 -7.912 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.724 23.941 -9.037 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.464 24.059 -4.564 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.916 25.346 -5.665 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.589 24.746 -5.758 1.00 0.00 H new ATOM 20 N LYS A 24 3.364 23.566 -5.476 1.00 0.00 N ATOM 21 CA LYS A 24 4.418 22.617 -5.155 1.00 0.00 C ATOM 22 C LYS A 24 3.722 21.429 -4.516 1.00 0.00 C ATOM 23 O LYS A 24 2.955 21.604 -3.565 1.00 0.00 O ATOM 24 CB LYS A 24 5.475 23.268 -4.252 1.00 0.00 C ATOM 25 CG LYS A 24 6.879 22.664 -4.413 1.00 0.00 C ATOM 26 CD LYS A 24 7.060 21.279 -3.779 1.00 0.00 C ATOM 27 CE LYS A 24 8.543 20.936 -3.587 1.00 0.00 C ATOM 28 NZ LYS A 24 9.222 20.529 -4.831 1.00 0.00 N ATOM 0 H LYS A 24 2.738 23.760 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 24 4.970 22.289 -6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.520 24.335 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.163 23.169 -3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.110 22.594 -5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.606 23.347 -3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.551 21.250 -2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.590 20.525 -4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.056 21.802 -3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.629 20.132 -2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.219 20.312 -4.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.757 19.684 -5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.170 21.303 -5.524 1.00 0.00 H new ATOM 42 N VAL A 25 3.920 20.251 -5.088 1.00 0.00 N ATOM 43 CA VAL A 25 3.344 19.018 -4.588 1.00 0.00 C ATOM 44 C VAL A 25 3.874 18.826 -3.156 1.00 0.00 C ATOM 45 O VAL A 25 5.065 19.053 -2.907 1.00 0.00 O ATOM 46 CB VAL A 25 3.707 17.865 -5.549 1.00 0.00 C ATOM 47 CG1 VAL A 25 3.041 16.550 -5.138 1.00 0.00 C ATOM 48 CG2 VAL A 25 3.260 18.148 -6.997 1.00 0.00 C ATOM 0 H VAL A 25 4.493 20.126 -5.923 1.00 0.00 H new ATOM 0 HA VAL A 25 2.255 19.041 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 25 4.793 17.785 -5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.322 15.765 -5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.368 16.274 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.958 16.673 -5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.538 17.308 -7.634 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.179 18.282 -7.024 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.747 19.054 -7.358 1.00 0.00 H new ATOM 58 N PRO A 26 3.031 18.438 -2.187 1.00 0.00 N ATOM 59 CA PRO A 26 3.504 18.174 -0.835 1.00 0.00 C ATOM 60 C PRO A 26 4.431 16.947 -0.850 1.00 0.00 C ATOM 61 O PRO A 26 4.430 16.193 -1.832 1.00 0.00 O ATOM 62 CB PRO A 26 2.239 17.979 -0.004 1.00 0.00 C ATOM 63 CG PRO A 26 1.229 17.449 -1.010 1.00 0.00 C ATOM 64 CD PRO A 26 1.612 18.148 -2.309 1.00 0.00 C ATOM 0 HA PRO A 26 4.101 18.980 -0.409 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.400 17.274 0.812 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.905 18.915 0.444 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.290 16.365 -1.106 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.207 17.686 -0.714 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.414 17.511 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.035 19.062 -2.448 1.00 0.00 H new ATOM 72 N PRO A 27 5.255 16.741 0.190 1.00 0.00 N ATOM 73 CA PRO A 27 6.266 15.699 0.198 1.00 0.00 C ATOM 74 C PRO A 27 5.605 14.324 0.296 1.00 0.00 C ATOM 75 O PRO A 27 5.313 13.824 1.382 1.00 0.00 O ATOM 76 CB PRO A 27 7.204 16.029 1.359 1.00 0.00 C ATOM 77 CG PRO A 27 6.317 16.812 2.321 1.00 0.00 C ATOM 78 CD PRO A 27 5.346 17.545 1.399 1.00 0.00 C ATOM 0 HA PRO A 27 6.846 15.661 -0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.601 15.126 1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.058 16.620 1.029 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.793 16.151 3.011 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.898 17.508 2.926 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.369 17.654 1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.705 18.549 1.173 1.00 0.00 H new ATOM 86 N HIS A 28 5.348 13.735 -0.866 1.00 0.00 N ATOM 87 CA HIS A 28 4.940 12.364 -1.095 1.00 0.00 C ATOM 88 C HIS A 28 5.231 12.081 -2.566 1.00 0.00 C ATOM 89 O HIS A 28 5.163 12.992 -3.398 1.00 0.00 O ATOM 90 CB HIS A 28 3.465 12.112 -0.738 1.00 0.00 C ATOM 91 CG HIS A 28 2.415 12.825 -1.556 1.00 0.00 C ATOM 92 ND1 HIS A 28 2.544 14.023 -2.223 1.00 0.00 N ATOM 93 CD2 HIS A 28 1.113 12.422 -1.680 1.00 0.00 C ATOM 94 CE1 HIS A 28 1.351 14.319 -2.763 1.00 0.00 C ATOM 95 NE2 HIS A 28 0.443 13.383 -2.443 1.00 0.00 N ATOM 0 H HIS A 28 5.428 14.252 -1.742 1.00 0.00 H new ATOM 0 HA HIS A 28 5.492 11.686 -0.444 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.279 11.041 -0.814 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.321 12.387 0.307 1.00 0.00 H new ATOM 0 HD1 HIS A 28 3.393 14.584 -2.294 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.681 11.524 -1.264 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.150 15.189 -3.370 1.00 0.00 H new ATOM 103 N SER A 29 5.526 10.833 -2.900 1.00 0.00 N ATOM 104 CA SER A 29 5.688 10.378 -4.268 1.00 0.00 C ATOM 105 C SER A 29 4.642 9.298 -4.455 1.00 0.00 C ATOM 106 O SER A 29 4.945 8.117 -4.331 1.00 0.00 O ATOM 107 CB SER A 29 7.120 9.892 -4.511 1.00 0.00 C ATOM 108 OG SER A 29 8.029 10.975 -4.437 1.00 0.00 O ATOM 0 H SER A 29 5.662 10.094 -2.210 1.00 0.00 H new ATOM 0 HA SER A 29 5.541 11.172 -5.000 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.384 9.136 -3.772 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.189 9.418 -5.490 1.00 0.00 H new ATOM 0 HG SER A 29 8.940 10.649 -4.593 1.00 0.00 H new ATOM 114 N ILE A 30 3.396 9.712 -4.686 1.00 0.00 N ATOM 115 CA ILE A 30 2.240 8.822 -4.701 1.00 0.00 C ATOM 116 C ILE A 30 2.481 7.635 -5.621 1.00 0.00 C ATOM 117 O ILE A 30 2.167 6.519 -5.254 1.00 0.00 O ATOM 118 CB ILE A 30 0.960 9.637 -5.028 1.00 0.00 C ATOM 119 CG1 ILE A 30 0.112 9.669 -3.750 1.00 0.00 C ATOM 120 CG2 ILE A 30 0.148 9.179 -6.257 1.00 0.00 C ATOM 121 CD1 ILE A 30 -1.196 10.434 -3.903 1.00 0.00 C ATOM 0 H ILE A 30 3.161 10.687 -4.870 1.00 0.00 H new ATOM 0 HA ILE A 30 2.085 8.387 -3.714 1.00 0.00 H new ATOM 0 HB ILE A 30 1.277 10.634 -5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.109 8.646 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.696 10.121 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.721 9.826 -6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.773 9.236 -7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.183 8.151 -6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.742 10.414 -2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.983 11.467 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.800 9.969 -4.682 1.00 0.00 H new ATOM 133 N GLU A 31 3.028 7.837 -6.810 1.00 0.00 N ATOM 134 CA GLU A 31 3.285 6.738 -7.728 1.00 0.00 C ATOM 135 C GLU A 31 4.354 5.770 -7.220 1.00 0.00 C ATOM 136 O GLU A 31 4.252 4.578 -7.464 1.00 0.00 O ATOM 137 CB GLU A 31 3.552 7.314 -9.106 1.00 0.00 C ATOM 138 CG GLU A 31 2.180 7.705 -9.690 1.00 0.00 C ATOM 139 CD GLU A 31 2.234 8.784 -10.767 1.00 0.00 C ATOM 140 OE1 GLU A 31 2.906 9.825 -10.554 1.00 0.00 O ATOM 141 OE2 GLU A 31 1.501 8.651 -11.776 1.00 0.00 O ATOM 0 H GLU A 31 3.303 8.754 -7.162 1.00 0.00 H new ATOM 0 HA GLU A 31 2.402 6.103 -7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.208 8.182 -9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.050 6.583 -9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.711 6.815 -10.109 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.540 8.051 -8.879 1.00 0.00 H new ATOM 148 N ALA A 32 5.347 6.245 -6.468 1.00 0.00 N ATOM 149 CA ALA A 32 6.265 5.359 -5.753 1.00 0.00 C ATOM 150 C ALA A 32 5.521 4.597 -4.645 1.00 0.00 C ATOM 151 O ALA A 32 5.776 3.412 -4.452 1.00 0.00 O ATOM 152 CB ALA A 32 7.460 6.130 -5.180 1.00 0.00 C ATOM 0 H ALA A 32 5.536 7.239 -6.338 1.00 0.00 H new ATOM 0 HA ALA A 32 6.657 4.636 -6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.121 5.440 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.007 6.610 -5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.103 6.890 -4.485 1.00 0.00 H new ATOM 158 N GLU A 33 4.584 5.238 -3.938 1.00 0.00 N ATOM 159 CA GLU A 33 3.711 4.571 -2.968 1.00 0.00 C ATOM 160 C GLU A 33 2.893 3.482 -3.667 1.00 0.00 C ATOM 161 O GLU A 33 2.783 2.369 -3.149 1.00 0.00 O ATOM 162 CB GLU A 33 2.772 5.570 -2.264 1.00 0.00 C ATOM 163 CG GLU A 33 3.473 6.677 -1.473 1.00 0.00 C ATOM 164 CD GLU A 33 2.515 7.747 -0.943 1.00 0.00 C ATOM 165 OE1 GLU A 33 1.286 7.686 -1.199 1.00 0.00 O ATOM 166 OE2 GLU A 33 2.988 8.616 -0.183 1.00 0.00 O ATOM 0 H GLU A 33 4.410 6.239 -4.024 1.00 0.00 H new ATOM 0 HA GLU A 33 4.343 4.119 -2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.131 6.032 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.122 5.017 -1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.007 6.231 -0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.219 7.152 -2.110 1.00 0.00 H new ATOM 173 N GLN A 34 2.359 3.781 -4.858 1.00 0.00 N ATOM 174 CA GLN A 34 1.659 2.817 -5.689 1.00 0.00 C ATOM 175 C GLN A 34 2.614 1.664 -6.024 1.00 0.00 C ATOM 176 O GLN A 34 2.261 0.508 -5.795 1.00 0.00 O ATOM 177 CB GLN A 34 1.082 3.451 -6.968 1.00 0.00 C ATOM 178 CG GLN A 34 -0.052 4.442 -6.673 1.00 0.00 C ATOM 179 CD GLN A 34 -0.799 4.900 -7.920 1.00 0.00 C ATOM 180 OE1 GLN A 34 -0.225 5.448 -8.859 1.00 0.00 O ATOM 181 NE2 GLN A 34 -2.105 4.704 -7.965 1.00 0.00 N ATOM 0 H GLN A 34 2.406 4.713 -5.269 1.00 0.00 H new ATOM 0 HA GLN A 34 0.804 2.437 -5.130 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.879 3.965 -7.506 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.711 2.664 -7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.759 3.978 -5.985 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.361 5.314 -6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.580 4.249 -7.185 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.638 5.007 -8.780 1.00 0.00 H new ATOM 190 N SER A 35 3.837 1.979 -6.476 1.00 0.00 N ATOM 191 CA SER A 35 4.848 1.005 -6.857 1.00 0.00 C ATOM 192 C SER A 35 5.107 0.023 -5.718 1.00 0.00 C ATOM 193 O SER A 35 5.209 -1.179 -5.975 1.00 0.00 O ATOM 194 CB SER A 35 6.164 1.673 -7.276 1.00 0.00 C ATOM 195 OG SER A 35 6.041 2.499 -8.419 1.00 0.00 O ATOM 0 H SER A 35 4.149 2.944 -6.586 1.00 0.00 H new ATOM 0 HA SER A 35 4.458 0.464 -7.719 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.539 2.270 -6.445 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.907 0.900 -7.474 1.00 0.00 H new ATOM 0 HG SER A 35 5.447 3.251 -8.216 1.00 0.00 H new ATOM 201 N VAL A 36 5.190 0.512 -4.476 1.00 0.00 N ATOM 202 CA VAL A 36 5.346 -0.333 -3.297 1.00 0.00 C ATOM 203 C VAL A 36 4.175 -1.304 -3.199 1.00 0.00 C ATOM 204 O VAL A 36 4.396 -2.514 -3.161 1.00 0.00 O ATOM 205 CB VAL A 36 5.542 0.510 -2.018 1.00 0.00 C ATOM 206 CG1 VAL A 36 5.553 -0.355 -0.751 1.00 0.00 C ATOM 207 CG2 VAL A 36 6.877 1.264 -2.054 1.00 0.00 C ATOM 0 H VAL A 36 5.150 1.509 -4.264 1.00 0.00 H new ATOM 0 HA VAL A 36 6.255 -0.926 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 36 4.701 1.203 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.693 0.281 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.605 -0.886 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.368 -1.076 -0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.989 1.849 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.697 0.549 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.896 1.930 -2.917 1.00 0.00 H new ATOM 217 N LEU A 37 2.945 -0.791 -3.167 1.00 0.00 N ATOM 218 CA LEU A 37 1.754 -1.620 -3.003 1.00 0.00 C ATOM 219 C LEU A 37 1.688 -2.690 -4.090 1.00 0.00 C ATOM 220 O LEU A 37 1.514 -3.866 -3.771 1.00 0.00 O ATOM 221 CB LEU A 37 0.481 -0.760 -3.002 1.00 0.00 C ATOM 222 CG LEU A 37 0.391 0.219 -1.819 1.00 0.00 C ATOM 223 CD1 LEU A 37 -0.827 1.124 -2.009 1.00 0.00 C ATOM 224 CD2 LEU A 37 0.295 -0.491 -0.465 1.00 0.00 C ATOM 0 H LEU A 37 2.748 0.206 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 37 1.820 -2.120 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.435 -0.195 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.389 -1.416 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 37 1.311 0.803 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.897 1.821 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.724 1.682 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.730 0.515 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.234 0.251 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.596 -1.118 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.179 -1.111 -0.316 1.00 0.00 H new ATOM 236 N GLY A 38 1.868 -2.305 -5.354 1.00 0.00 N ATOM 237 CA GLY A 38 1.884 -3.244 -6.462 1.00 0.00 C ATOM 238 C GLY A 38 3.006 -4.268 -6.321 1.00 0.00 C ATOM 239 O GLY A 38 2.798 -5.453 -6.582 1.00 0.00 O ATOM 0 H GLY A 38 2.006 -1.333 -5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.925 -3.760 -6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.005 -2.699 -7.398 1.00 0.00 H new ATOM 243 N GLY A 39 4.198 -3.851 -5.879 1.00 0.00 N ATOM 244 CA GLY A 39 5.329 -4.760 -5.784 1.00 0.00 C ATOM 245 C GLY A 39 5.134 -5.798 -4.687 1.00 0.00 C ATOM 246 O GLY A 39 5.626 -6.912 -4.824 1.00 0.00 O ATOM 0 H GLY A 39 4.397 -2.895 -5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.470 -5.264 -6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.237 -4.190 -5.587 1.00 0.00 H new ATOM 250 N LEU A 40 4.401 -5.461 -3.624 1.00 0.00 N ATOM 251 CA LEU A 40 4.084 -6.393 -2.549 1.00 0.00 C ATOM 252 C LEU A 40 3.116 -7.480 -3.009 1.00 0.00 C ATOM 253 O LEU A 40 3.210 -8.617 -2.555 1.00 0.00 O ATOM 254 CB LEU A 40 3.459 -5.629 -1.376 1.00 0.00 C ATOM 255 CG LEU A 40 4.450 -4.768 -0.579 1.00 0.00 C ATOM 256 CD1 LEU A 40 3.667 -3.966 0.464 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.510 -5.627 0.109 1.00 0.00 C ATOM 0 H LEU A 40 4.010 -4.529 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 40 5.013 -6.873 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.665 -4.988 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.993 -6.345 -0.699 1.00 0.00 H new ATOM 0 HG LEU A 40 4.968 -4.098 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.356 -3.348 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.940 -3.328 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.147 -4.651 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.194 -4.985 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.026 -6.321 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.067 -6.188 -0.641 1.00 0.00 H new ATOM 269 N MET A 41 2.185 -7.153 -3.906 1.00 0.00 N ATOM 270 CA MET A 41 1.306 -8.146 -4.522 1.00 0.00 C ATOM 271 C MET A 41 2.142 -9.047 -5.441 1.00 0.00 C ATOM 272 O MET A 41 1.932 -10.262 -5.508 1.00 0.00 O ATOM 273 CB MET A 41 0.208 -7.429 -5.331 1.00 0.00 C ATOM 274 CG MET A 41 -0.621 -6.415 -4.525 1.00 0.00 C ATOM 275 SD MET A 41 -1.228 -5.039 -5.541 1.00 0.00 S ATOM 276 CE MET A 41 -1.966 -3.979 -4.289 1.00 0.00 C ATOM 0 H MET A 41 2.020 -6.198 -4.224 1.00 0.00 H new ATOM 0 HA MET A 41 0.832 -8.756 -3.753 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.672 -6.913 -6.171 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.465 -8.178 -5.749 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.469 -6.926 -4.069 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.013 -6.020 -3.712 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.382 -3.090 -4.764 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.760 -4.521 -3.775 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.204 -3.682 -3.568 1.00 0.00 H new ATOM 286 N LEU A 42 3.106 -8.448 -6.142 1.00 0.00 N ATOM 287 CA LEU A 42 4.006 -9.113 -7.075 1.00 0.00 C ATOM 288 C LEU A 42 4.993 -10.056 -6.394 1.00 0.00 C ATOM 289 O LEU A 42 5.384 -11.051 -7.005 1.00 0.00 O ATOM 290 CB LEU A 42 4.736 -8.060 -7.906 1.00 0.00 C ATOM 291 CG LEU A 42 3.949 -7.772 -9.191 1.00 0.00 C ATOM 292 CD1 LEU A 42 4.284 -6.369 -9.662 1.00 0.00 C ATOM 293 CD2 LEU A 42 4.291 -8.789 -10.282 1.00 0.00 C ATOM 0 H LEU A 42 3.285 -7.446 -6.070 1.00 0.00 H new ATOM 0 HA LEU A 42 3.399 -9.744 -7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.852 -7.144 -7.327 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.738 -8.410 -8.154 1.00 0.00 H new ATOM 0 HG LEU A 42 2.882 -7.853 -8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.731 -6.150 -10.576 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.008 -5.651 -8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.354 -6.297 -9.859 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.720 -8.563 -11.182 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.357 -8.738 -10.506 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.041 -9.792 -9.936 1.00 0.00 H new ATOM 305 N ASP A 43 5.420 -9.755 -5.171 1.00 0.00 N ATOM 306 CA ASP A 43 6.228 -10.630 -4.325 1.00 0.00 C ATOM 307 C ASP A 43 6.039 -10.259 -2.860 1.00 0.00 C ATOM 308 O ASP A 43 6.640 -9.312 -2.349 1.00 0.00 O ATOM 309 CB ASP A 43 7.716 -10.587 -4.685 1.00 0.00 C ATOM 310 CG ASP A 43 8.548 -11.560 -3.835 1.00 0.00 C ATOM 311 OD1 ASP A 43 7.983 -12.321 -3.018 1.00 0.00 O ATOM 312 OD2 ASP A 43 9.780 -11.632 -4.061 1.00 0.00 O ATOM 0 H ASP A 43 5.205 -8.863 -4.725 1.00 0.00 H new ATOM 0 HA ASP A 43 5.883 -11.649 -4.498 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.840 -10.832 -5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.092 -9.573 -4.547 1.00 0.00 H new ATOM 317 N ASN A 44 5.199 -11.027 -2.174 1.00 0.00 N ATOM 318 CA ASN A 44 4.872 -10.784 -0.773 1.00 0.00 C ATOM 319 C ASN A 44 6.040 -11.048 0.186 1.00 0.00 C ATOM 320 O ASN A 44 5.991 -10.576 1.323 1.00 0.00 O ATOM 321 CB ASN A 44 3.622 -11.545 -0.325 1.00 0.00 C ATOM 322 CG ASN A 44 3.800 -13.044 -0.403 1.00 0.00 C ATOM 323 OD1 ASN A 44 4.107 -13.701 0.587 1.00 0.00 O ATOM 324 ND2 ASN A 44 3.590 -13.596 -1.582 1.00 0.00 N ATOM 0 H ASN A 44 4.725 -11.837 -2.574 1.00 0.00 H new ATOM 0 HA ASN A 44 4.657 -9.717 -0.719 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.377 -11.264 0.699 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.778 -11.249 -0.948 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.681 -14.606 -1.696 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.336 -13.013 -2.380 1.00 0.00 H new ATOM 331 N GLU A 45 7.116 -11.722 -0.237 1.00 0.00 N ATOM 332 CA GLU A 45 8.319 -11.845 0.591 1.00 0.00 C ATOM 333 C GLU A 45 9.004 -10.490 0.763 1.00 0.00 C ATOM 334 O GLU A 45 9.683 -10.252 1.767 1.00 0.00 O ATOM 335 CB GLU A 45 9.316 -12.829 -0.023 1.00 0.00 C ATOM 336 CG GLU A 45 8.749 -14.239 -0.203 1.00 0.00 C ATOM 337 CD GLU A 45 9.839 -15.220 -0.630 1.00 0.00 C ATOM 338 OE1 GLU A 45 10.540 -14.992 -1.645 1.00 0.00 O ATOM 339 OE2 GLU A 45 9.979 -16.275 0.032 1.00 0.00 O ATOM 0 H GLU A 45 7.177 -12.188 -1.142 1.00 0.00 H new ATOM 0 HA GLU A 45 8.001 -12.218 1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.639 -12.449 -0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.201 -12.880 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.299 -14.575 0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.957 -14.223 -0.951 1.00 0.00 H new ATOM 346 N ARG A 46 8.771 -9.558 -0.168 1.00 0.00 N ATOM 347 CA ARG A 46 9.303 -8.211 -0.056 1.00 0.00 C ATOM 348 C ARG A 46 8.545 -7.417 1.004 1.00 0.00 C ATOM 349 O ARG A 46 8.982 -6.306 1.295 1.00 0.00 O ATOM 350 CB ARG A 46 9.253 -7.502 -1.419 1.00 0.00 C ATOM 351 CG ARG A 46 10.106 -8.186 -2.507 1.00 0.00 C ATOM 352 CD ARG A 46 11.609 -7.883 -2.364 1.00 0.00 C ATOM 353 NE ARG A 46 12.441 -8.920 -2.986 1.00 0.00 N ATOM 354 CZ ARG A 46 12.972 -8.954 -4.212 1.00 0.00 C ATOM 355 NH1 ARG A 46 12.747 -7.993 -5.099 1.00 0.00 N ATOM 356 NH2 ARG A 46 13.754 -9.964 -4.564 1.00 0.00 N ATOM 0 H ARG A 46 8.215 -9.721 -1.007 1.00 0.00 H new ATOM 0 HA ARG A 46 10.345 -8.274 0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.218 -7.457 -1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.593 -6.474 -1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.951 -9.264 -2.460 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.766 -7.858 -3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.829 -6.919 -2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.863 -7.800 -1.307 1.00 0.00 H new ATOM 0 HE ARG A 46 12.643 -9.730 -2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.154 -7.200 -4.853 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.167 -8.047 -6.027 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.949 -10.713 -3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.161 -9.992 -5.499 1.00 0.00 H new ATOM 370 N TRP A 47 7.481 -7.955 1.624 1.00 0.00 N ATOM 371 CA TRP A 47 6.860 -7.337 2.792 1.00 0.00 C ATOM 372 C TRP A 47 7.916 -7.015 3.826 1.00 0.00 C ATOM 373 O TRP A 47 7.955 -5.903 4.318 1.00 0.00 O ATOM 374 CB TRP A 47 5.796 -8.226 3.439 1.00 0.00 C ATOM 375 CG TRP A 47 5.211 -7.622 4.683 1.00 0.00 C ATOM 376 CD1 TRP A 47 5.586 -7.913 5.950 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.279 -6.505 4.798 1.00 0.00 C ATOM 378 NE1 TRP A 47 4.892 -7.110 6.836 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.050 -6.240 6.179 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.641 -5.658 3.870 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.167 -5.240 6.614 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.756 -4.650 4.290 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.500 -4.457 5.657 1.00 0.00 C ATOM 0 H TRP A 47 7.036 -8.823 1.327 1.00 0.00 H new ATOM 0 HA TRP A 47 6.369 -6.429 2.441 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.998 -8.411 2.720 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.236 -9.193 3.682 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.316 -8.659 6.227 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.991 -7.156 7.850 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.836 -5.786 2.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.003 -5.075 7.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.271 -4.021 3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 47 1.790 -3.707 5.973 1.00 0.00 H new ATOM 394 N ASP A 48 8.784 -7.965 4.142 1.00 0.00 N ATOM 395 CA ASP A 48 9.781 -7.822 5.199 1.00 0.00 C ATOM 396 C ASP A 48 10.818 -6.760 4.888 1.00 0.00 C ATOM 397 O ASP A 48 11.462 -6.211 5.777 1.00 0.00 O ATOM 398 CB ASP A 48 10.498 -9.166 5.332 1.00 0.00 C ATOM 399 CG ASP A 48 9.697 -10.197 6.123 1.00 0.00 C ATOM 400 OD1 ASP A 48 8.490 -10.377 5.834 1.00 0.00 O ATOM 401 OD2 ASP A 48 10.265 -10.872 7.013 1.00 0.00 O ATOM 0 H ASP A 48 8.818 -8.868 3.668 1.00 0.00 H new ATOM 0 HA ASP A 48 9.270 -7.521 6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.705 -9.561 4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.460 -9.011 5.819 1.00 0.00 H new ATOM 406 N ASP A 49 11.017 -6.516 3.608 1.00 0.00 N ATOM 407 CA ASP A 49 11.945 -5.528 3.097 1.00 0.00 C ATOM 408 C ASP A 49 11.344 -4.145 3.190 1.00 0.00 C ATOM 409 O ASP A 49 11.927 -3.233 3.778 1.00 0.00 O ATOM 410 CB ASP A 49 12.310 -5.885 1.649 1.00 0.00 C ATOM 411 CG ASP A 49 13.743 -5.492 1.365 1.00 0.00 C ATOM 412 OD1 ASP A 49 14.646 -6.254 1.783 1.00 0.00 O ATOM 413 OD2 ASP A 49 13.974 -4.442 0.738 1.00 0.00 O ATOM 0 H ASP A 49 10.521 -7.017 2.871 1.00 0.00 H new ATOM 0 HA ASP A 49 12.855 -5.529 3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.178 -6.955 1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.640 -5.372 0.959 1.00 0.00 H new ATOM 418 N VAL A 50 10.141 -4.024 2.649 1.00 0.00 N ATOM 419 CA VAL A 50 9.334 -2.831 2.607 1.00 0.00 C ATOM 420 C VAL A 50 8.955 -2.422 4.027 1.00 0.00 C ATOM 421 O VAL A 50 9.162 -1.272 4.371 1.00 0.00 O ATOM 422 CB VAL A 50 8.132 -3.150 1.712 1.00 0.00 C ATOM 423 CG1 VAL A 50 7.032 -2.091 1.816 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.564 -3.239 0.237 1.00 0.00 C ATOM 0 H VAL A 50 9.679 -4.815 2.200 1.00 0.00 H new ATOM 0 HA VAL A 50 9.862 -1.974 2.188 1.00 0.00 H new ATOM 0 HB VAL A 50 7.739 -4.106 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.203 -2.363 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.679 -2.033 2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.430 -1.122 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.697 -3.466 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.993 -2.287 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.308 -4.027 0.123 1.00 0.00 H new ATOM 434 N ALA A 51 8.456 -3.312 4.878 1.00 0.00 N ATOM 435 CA ALA A 51 8.121 -3.021 6.266 1.00 0.00 C ATOM 436 C ALA A 51 9.366 -2.660 7.077 1.00 0.00 C ATOM 437 O ALA A 51 9.239 -2.022 8.122 1.00 0.00 O ATOM 438 CB ALA A 51 7.393 -4.213 6.897 1.00 0.00 C ATOM 0 H ALA A 51 8.269 -4.279 4.614 1.00 0.00 H new ATOM 0 HA ALA A 51 7.457 -2.156 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.148 -3.983 7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.476 -4.413 6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.037 -5.092 6.863 1.00 0.00 H new ATOM 444 N GLU A 52 10.568 -3.017 6.612 1.00 0.00 N ATOM 445 CA GLU A 52 11.817 -2.546 7.181 1.00 0.00 C ATOM 446 C GLU A 52 12.302 -1.229 6.561 1.00 0.00 C ATOM 447 O GLU A 52 13.251 -0.626 7.065 1.00 0.00 O ATOM 448 CB GLU A 52 12.893 -3.637 7.147 1.00 0.00 C ATOM 449 CG GLU A 52 12.647 -4.715 8.211 1.00 0.00 C ATOM 450 CD GLU A 52 13.088 -4.320 9.623 1.00 0.00 C ATOM 451 OE1 GLU A 52 13.101 -3.124 10.000 1.00 0.00 O ATOM 452 OE2 GLU A 52 13.438 -5.243 10.397 1.00 0.00 O ATOM 0 H GLU A 52 10.693 -3.649 5.821 1.00 0.00 H new ATOM 0 HA GLU A 52 11.616 -2.318 8.228 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.911 -4.099 6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.873 -3.186 7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.584 -4.955 8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.174 -5.623 7.919 1.00 0.00 H new ATOM 459 N ARG A 53 11.654 -0.742 5.499 1.00 0.00 N ATOM 460 CA ARG A 53 11.859 0.595 4.952 1.00 0.00 C ATOM 461 C ARG A 53 10.809 1.568 5.455 1.00 0.00 C ATOM 462 O ARG A 53 11.166 2.713 5.730 1.00 0.00 O ATOM 463 CB ARG A 53 11.887 0.591 3.410 1.00 0.00 C ATOM 464 CG ARG A 53 13.038 -0.159 2.710 1.00 0.00 C ATOM 465 CD ARG A 53 14.423 0.489 2.826 1.00 0.00 C ATOM 466 NE ARG A 53 14.931 0.465 4.206 1.00 0.00 N ATOM 467 CZ ARG A 53 15.109 1.536 4.996 1.00 0.00 C ATOM 468 NH1 ARG A 53 15.218 2.765 4.498 1.00 0.00 N ATOM 469 NH2 ARG A 53 15.086 1.373 6.311 1.00 0.00 N ATOM 0 H ARG A 53 10.957 -1.282 4.986 1.00 0.00 H new ATOM 0 HA ARG A 53 12.835 0.928 5.304 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.948 0.163 3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.910 1.628 3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.093 -1.167 3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.792 -0.259 1.653 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.123 -0.033 2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.371 1.520 2.477 1.00 0.00 H new ATOM 0 HE ARG A 53 15.169 -0.446 4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.167 2.913 3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.353 3.559 5.124 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.935 0.445 6.707 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.219 2.175 6.927 1.00 0.00 H new ATOM 483 N VAL A 54 9.557 1.145 5.591 1.00 0.00 N ATOM 484 CA VAL A 54 8.430 2.021 5.836 1.00 0.00 C ATOM 485 C VAL A 54 7.456 1.399 6.832 1.00 0.00 C ATOM 486 O VAL A 54 7.582 0.229 7.196 1.00 0.00 O ATOM 487 CB VAL A 54 7.717 2.330 4.499 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.461 3.389 3.682 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.430 1.123 3.590 1.00 0.00 C ATOM 0 H VAL A 54 9.298 0.160 5.532 1.00 0.00 H new ATOM 0 HA VAL A 54 8.797 2.950 6.271 1.00 0.00 H new ATOM 0 HB VAL A 54 6.748 2.703 4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.924 3.574 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.523 4.314 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.467 3.034 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.928 1.461 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.368 0.636 3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.789 0.415 4.116 1.00 0.00 H new ATOM 499 N VAL A 55 6.495 2.203 7.269 1.00 0.00 N ATOM 500 CA VAL A 55 5.315 1.829 8.028 1.00 0.00 C ATOM 501 C VAL A 55 4.143 2.603 7.414 1.00 0.00 C ATOM 502 O VAL A 55 4.340 3.641 6.777 1.00 0.00 O ATOM 503 CB VAL A 55 5.494 2.155 9.527 1.00 0.00 C ATOM 504 CG1 VAL A 55 6.369 1.121 10.242 1.00 0.00 C ATOM 505 CG2 VAL A 55 6.104 3.545 9.785 1.00 0.00 C ATOM 0 H VAL A 55 6.525 3.206 7.087 1.00 0.00 H new ATOM 0 HA VAL A 55 5.134 0.755 7.976 1.00 0.00 H new ATOM 0 HB VAL A 55 4.480 2.135 9.927 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.467 1.392 11.293 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.908 0.137 10.162 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.356 1.098 9.780 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.201 3.706 10.859 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.088 3.603 9.319 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.456 4.311 9.360 1.00 0.00 H new ATOM 515 N ALA A 56 2.903 2.180 7.665 1.00 0.00 N ATOM 516 CA ALA A 56 1.710 2.893 7.213 1.00 0.00 C ATOM 517 C ALA A 56 1.685 4.332 7.741 1.00 0.00 C ATOM 518 O ALA A 56 1.038 5.192 7.152 1.00 0.00 O ATOM 519 CB ALA A 56 0.441 2.146 7.640 1.00 0.00 C ATOM 0 H ALA A 56 2.699 1.330 8.190 1.00 0.00 H new ATOM 0 HA ALA A 56 1.742 2.936 6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.437 2.692 7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.442 1.147 7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.414 2.066 8.727 1.00 0.00 H new ATOM 525 N ASP A 57 2.381 4.605 8.846 1.00 0.00 N ATOM 526 CA ASP A 57 2.550 5.948 9.387 1.00 0.00 C ATOM 527 C ASP A 57 3.265 6.892 8.421 1.00 0.00 C ATOM 528 O ASP A 57 2.993 8.091 8.440 1.00 0.00 O ATOM 529 CB ASP A 57 3.299 5.892 10.727 1.00 0.00 C ATOM 530 CG ASP A 57 2.348 5.909 11.913 1.00 0.00 C ATOM 531 OD1 ASP A 57 1.443 6.774 11.964 1.00 0.00 O ATOM 532 OD2 ASP A 57 2.509 5.102 12.854 1.00 0.00 O ATOM 0 H ASP A 57 2.849 3.885 9.396 1.00 0.00 H new ATOM 0 HA ASP A 57 1.550 6.353 9.543 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.908 4.989 10.764 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.981 6.740 10.797 1.00 0.00 H new ATOM 537 N ASP A 58 4.130 6.374 7.551 1.00 0.00 N ATOM 538 CA ASP A 58 4.829 7.139 6.529 1.00 0.00 C ATOM 539 C ASP A 58 3.868 7.514 5.405 1.00 0.00 C ATOM 540 O ASP A 58 3.957 8.602 4.832 1.00 0.00 O ATOM 541 CB ASP A 58 5.967 6.305 5.920 1.00 0.00 C ATOM 542 CG ASP A 58 7.145 6.095 6.863 1.00 0.00 C ATOM 543 OD1 ASP A 58 7.654 7.092 7.417 1.00 0.00 O ATOM 544 OD2 ASP A 58 7.596 4.941 7.022 1.00 0.00 O ATOM 0 H ASP A 58 4.368 5.382 7.540 1.00 0.00 H new ATOM 0 HA ASP A 58 5.232 8.036 6.999 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.574 5.333 5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.321 6.797 5.014 1.00 0.00 H new ATOM 549 N PHE A 59 2.955 6.600 5.072 1.00 0.00 N ATOM 550 CA PHE A 59 2.020 6.722 3.968 1.00 0.00 C ATOM 551 C PHE A 59 1.044 7.864 4.272 1.00 0.00 C ATOM 552 O PHE A 59 0.295 7.819 5.246 1.00 0.00 O ATOM 553 CB PHE A 59 1.324 5.368 3.723 1.00 0.00 C ATOM 554 CG PHE A 59 2.082 4.419 2.808 1.00 0.00 C ATOM 555 CD1 PHE A 59 3.364 3.967 3.166 1.00 0.00 C ATOM 556 CD2 PHE A 59 1.511 3.981 1.598 1.00 0.00 C ATOM 557 CE1 PHE A 59 4.079 3.117 2.307 1.00 0.00 C ATOM 558 CE2 PHE A 59 2.222 3.117 0.743 1.00 0.00 C ATOM 559 CZ PHE A 59 3.514 2.688 1.097 1.00 0.00 C ATOM 0 H PHE A 59 2.848 5.726 5.586 1.00 0.00 H new ATOM 0 HA PHE A 59 2.535 6.974 3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.167 4.877 4.683 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.339 5.554 3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.800 4.275 4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.520 4.310 1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.072 2.791 2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.776 2.784 -0.183 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.068 2.032 0.441 1.00 0.00 H new ATOM 569 N TYR A 60 1.079 8.924 3.469 1.00 0.00 N ATOM 570 CA TYR A 60 0.194 10.078 3.596 1.00 0.00 C ATOM 571 C TYR A 60 -1.201 9.789 3.032 1.00 0.00 C ATOM 572 O TYR A 60 -2.218 10.223 3.578 1.00 0.00 O ATOM 573 CB TYR A 60 0.828 11.233 2.802 1.00 0.00 C ATOM 574 CG TYR A 60 -0.063 12.444 2.578 1.00 0.00 C ATOM 575 CD1 TYR A 60 -0.127 13.459 3.550 1.00 0.00 C ATOM 576 CD2 TYR A 60 -0.792 12.581 1.379 1.00 0.00 C ATOM 577 CE1 TYR A 60 -0.876 14.627 3.316 1.00 0.00 C ATOM 578 CE2 TYR A 60 -1.537 13.749 1.138 1.00 0.00 C ATOM 579 CZ TYR A 60 -1.575 14.786 2.100 1.00 0.00 C ATOM 580 OH TYR A 60 -2.272 15.926 1.842 1.00 0.00 O ATOM 0 H TYR A 60 1.738 9.006 2.695 1.00 0.00 H new ATOM 0 HA TYR A 60 0.077 10.326 4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.728 11.558 3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.144 10.852 1.831 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.403 13.341 4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.778 11.789 0.645 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.916 15.402 4.067 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.084 13.855 0.213 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.689 15.861 0.958 1.00 0.00 H new ATOM 590 N THR A 61 -1.248 9.116 1.893 1.00 0.00 N ATOM 591 CA THR A 61 -2.408 8.925 1.047 1.00 0.00 C ATOM 592 C THR A 61 -3.391 7.914 1.646 1.00 0.00 C ATOM 593 O THR A 61 -3.070 6.734 1.752 1.00 0.00 O ATOM 594 CB THR A 61 -1.902 8.585 -0.341 1.00 0.00 C ATOM 595 OG1 THR A 61 -0.762 9.364 -0.680 1.00 0.00 O ATOM 596 CG2 THR A 61 -2.966 8.757 -1.417 1.00 0.00 C ATOM 0 H THR A 61 -0.419 8.659 1.513 1.00 0.00 H new ATOM 0 HA THR A 61 -3.004 9.835 0.975 1.00 0.00 H new ATOM 0 HB THR A 61 -1.627 7.531 -0.306 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.086 8.790 -1.097 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.546 8.499 -2.389 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.810 8.102 -1.202 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.305 9.793 -1.431 1.00 0.00 H new ATOM 604 N ARG A 62 -4.596 8.353 2.039 1.00 0.00 N ATOM 605 CA ARG A 62 -5.603 7.498 2.689 1.00 0.00 C ATOM 606 C ARG A 62 -5.839 6.148 1.993 1.00 0.00 C ATOM 607 O ARG A 62 -5.706 5.136 2.679 1.00 0.00 O ATOM 608 CB ARG A 62 -6.923 8.256 2.952 1.00 0.00 C ATOM 609 CG ARG A 62 -7.156 8.402 4.465 1.00 0.00 C ATOM 610 CD ARG A 62 -8.413 9.203 4.821 1.00 0.00 C ATOM 611 NE ARG A 62 -9.668 8.524 4.458 1.00 0.00 N ATOM 612 CZ ARG A 62 -10.431 7.764 5.253 1.00 0.00 C ATOM 613 NH1 ARG A 62 -9.955 7.312 6.407 1.00 0.00 N ATOM 614 NH2 ARG A 62 -11.665 7.450 4.880 1.00 0.00 N ATOM 0 H ARG A 62 -4.902 9.318 1.914 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.170 7.240 3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.885 9.240 2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.756 7.720 2.498 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.231 7.410 4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.288 8.887 4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.415 9.403 5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.373 10.169 4.317 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.991 8.646 3.498 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.003 7.543 6.692 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.541 6.733 7.009 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.030 7.788 3.989 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.249 6.871 5.484 1.00 0.00 H new ATOM 628 N PRO A 63 -6.152 6.062 0.686 1.00 0.00 N ATOM 629 CA PRO A 63 -6.349 4.771 0.028 1.00 0.00 C ATOM 630 C PRO A 63 -5.072 3.930 0.035 1.00 0.00 C ATOM 631 O PRO A 63 -5.151 2.718 0.212 1.00 0.00 O ATOM 632 CB PRO A 63 -6.824 5.086 -1.395 1.00 0.00 C ATOM 633 CG PRO A 63 -6.302 6.502 -1.628 1.00 0.00 C ATOM 634 CD PRO A 63 -6.444 7.137 -0.248 1.00 0.00 C ATOM 0 HA PRO A 63 -7.087 4.169 0.558 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.417 4.382 -2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.910 5.038 -1.478 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.267 6.502 -1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.886 7.031 -2.380 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.752 7.969 -0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.448 7.532 -0.095 1.00 0.00 H new ATOM 642 N HIS A 64 -3.891 4.534 -0.120 1.00 0.00 N ATOM 643 CA HIS A 64 -2.654 3.770 -0.053 1.00 0.00 C ATOM 644 C HIS A 64 -2.430 3.237 1.371 1.00 0.00 C ATOM 645 O HIS A 64 -2.006 2.093 1.535 1.00 0.00 O ATOM 646 CB HIS A 64 -1.461 4.612 -0.524 1.00 0.00 C ATOM 647 CG HIS A 64 -1.501 5.149 -1.936 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.550 5.987 -2.476 1.00 0.00 N ATOM 649 CD2 HIS A 64 -2.388 4.835 -2.933 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.842 6.156 -3.779 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.971 5.499 -4.091 1.00 0.00 N ATOM 0 H HIS A 64 -3.771 5.533 -0.290 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.740 2.917 -0.726 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.358 5.458 0.155 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.560 4.007 -0.419 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.235 6.405 -1.977 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.251 4.192 -2.841 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.253 6.736 -4.474 1.00 0.00 H new ATOM 659 N ARG A 65 -2.753 4.031 2.404 1.00 0.00 N ATOM 660 CA ARG A 65 -2.677 3.606 3.796 1.00 0.00 C ATOM 661 C ARG A 65 -3.599 2.436 4.024 1.00 0.00 C ATOM 662 O ARG A 65 -3.137 1.452 4.581 1.00 0.00 O ATOM 663 CB ARG A 65 -3.032 4.719 4.795 1.00 0.00 C ATOM 664 CG ARG A 65 -1.804 5.505 5.248 1.00 0.00 C ATOM 665 CD ARG A 65 -1.987 6.147 6.627 1.00 0.00 C ATOM 666 NE ARG A 65 -2.973 7.239 6.628 1.00 0.00 N ATOM 667 CZ ARG A 65 -4.237 7.169 7.055 1.00 0.00 C ATOM 668 NH1 ARG A 65 -4.791 6.011 7.389 1.00 0.00 N ATOM 669 NH2 ARG A 65 -4.947 8.282 7.154 1.00 0.00 N ATOM 0 H ARG A 65 -3.076 4.992 2.288 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.638 3.328 3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.748 5.401 4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.521 4.281 5.665 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.941 4.840 5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.585 6.283 4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.299 5.383 7.339 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.027 6.531 6.973 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.660 8.140 6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.250 5.149 7.322 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.758 5.983 7.712 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.528 9.178 6.906 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.913 8.243 7.479 1.00 0.00 H new ATOM 683 N HIS A 66 -4.869 2.532 3.635 1.00 0.00 N ATOM 684 CA HIS A 66 -5.832 1.455 3.740 1.00 0.00 C ATOM 685 C HIS A 66 -5.247 0.136 3.257 1.00 0.00 C ATOM 686 O HIS A 66 -5.263 -0.842 4.002 1.00 0.00 O ATOM 687 CB HIS A 66 -7.061 1.818 2.901 1.00 0.00 C ATOM 688 CG HIS A 66 -8.047 2.701 3.592 1.00 0.00 C ATOM 689 ND1 HIS A 66 -8.527 3.936 3.220 1.00 0.00 N ATOM 690 CD2 HIS A 66 -8.737 2.294 4.683 1.00 0.00 C ATOM 691 CE1 HIS A 66 -9.459 4.284 4.121 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.628 3.314 5.037 1.00 0.00 N ATOM 0 H HIS A 66 -5.259 3.383 3.230 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.108 1.328 4.787 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.728 2.312 1.988 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.564 0.899 2.601 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.621 1.348 5.191 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.001 5.218 4.112 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.273 3.320 5.827 1.00 0.00 H new ATOM 700 N ILE A 67 -4.723 0.120 2.033 1.00 0.00 N ATOM 701 CA ILE A 67 -4.169 -1.079 1.427 1.00 0.00 C ATOM 702 C ILE A 67 -3.020 -1.584 2.305 1.00 0.00 C ATOM 703 O ILE A 67 -3.070 -2.731 2.739 1.00 0.00 O ATOM 704 CB ILE A 67 -3.784 -0.795 -0.041 1.00 0.00 C ATOM 705 CG1 ILE A 67 -5.036 -0.357 -0.835 1.00 0.00 C ATOM 706 CG2 ILE A 67 -3.189 -2.042 -0.714 1.00 0.00 C ATOM 707 CD1 ILE A 67 -4.713 0.240 -2.201 1.00 0.00 C ATOM 0 H ILE A 67 -4.673 0.945 1.435 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.902 -1.884 1.380 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.036 -0.002 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.691 -1.218 -0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.590 0.376 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.928 -1.809 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.294 -2.354 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.922 -2.849 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.638 0.525 -2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.084 1.121 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.186 -0.498 -2.805 1.00 0.00 H new ATOM 719 N PHE A 68 -2.028 -0.742 2.624 1.00 0.00 N ATOM 720 CA PHE A 68 -0.899 -1.160 3.455 1.00 0.00 C ATOM 721 C PHE A 68 -1.355 -1.646 4.838 1.00 0.00 C ATOM 722 O PHE A 68 -0.765 -2.565 5.402 1.00 0.00 O ATOM 723 CB PHE A 68 0.121 -0.017 3.596 1.00 0.00 C ATOM 724 CG PHE A 68 1.518 -0.514 3.922 1.00 0.00 C ATOM 725 CD1 PHE A 68 1.900 -0.798 5.248 1.00 0.00 C ATOM 726 CD2 PHE A 68 2.431 -0.748 2.877 1.00 0.00 C ATOM 727 CE1 PHE A 68 3.176 -1.322 5.523 1.00 0.00 C ATOM 728 CE2 PHE A 68 3.703 -1.278 3.152 1.00 0.00 C ATOM 729 CZ PHE A 68 4.074 -1.581 4.474 1.00 0.00 C ATOM 0 H PHE A 68 -1.987 0.230 2.318 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.420 -2.001 2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.151 0.554 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.210 0.665 4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.210 -0.612 6.057 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.153 -0.519 1.859 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.466 -1.526 6.543 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.399 -1.453 2.345 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.043 -2.010 4.682 1.00 0.00 H new ATOM 739 N THR A 69 -2.394 -1.034 5.404 1.00 0.00 N ATOM 740 CA THR A 69 -2.930 -1.425 6.692 1.00 0.00 C ATOM 741 C THR A 69 -3.540 -2.815 6.594 1.00 0.00 C ATOM 742 O THR A 69 -3.253 -3.621 7.471 1.00 0.00 O ATOM 743 CB THR A 69 -3.902 -0.361 7.223 1.00 0.00 C ATOM 744 OG1 THR A 69 -3.291 0.915 7.157 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.270 -0.605 8.687 1.00 0.00 C ATOM 0 H THR A 69 -2.885 -0.250 4.974 1.00 0.00 H new ATOM 0 HA THR A 69 -2.127 -1.484 7.427 1.00 0.00 H new ATOM 0 HB THR A 69 -4.800 -0.414 6.607 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.506 1.336 6.299 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.959 0.170 9.023 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.746 -1.581 8.785 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.368 -0.578 9.298 1.00 0.00 H new ATOM 753 N GLU A 70 -4.327 -3.137 5.562 1.00 0.00 N ATOM 754 CA GLU A 70 -4.884 -4.482 5.446 1.00 0.00 C ATOM 755 C GLU A 70 -3.796 -5.504 5.096 1.00 0.00 C ATOM 756 O GLU A 70 -3.901 -6.658 5.504 1.00 0.00 O ATOM 757 CB GLU A 70 -6.075 -4.537 4.483 1.00 0.00 C ATOM 758 CG GLU A 70 -6.899 -5.834 4.665 1.00 0.00 C ATOM 759 CD GLU A 70 -7.573 -5.981 6.039 1.00 0.00 C ATOM 760 OE1 GLU A 70 -7.803 -4.951 6.708 1.00 0.00 O ATOM 761 OE2 GLU A 70 -7.881 -7.132 6.440 1.00 0.00 O ATOM 0 H GLU A 70 -4.587 -2.497 4.811 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.279 -4.757 6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.717 -3.672 4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.716 -4.475 3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.668 -5.871 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.244 -6.690 4.504 1.00 0.00 H new ATOM 768 N MET A 71 -2.714 -5.097 4.421 1.00 0.00 N ATOM 769 CA MET A 71 -1.537 -5.943 4.253 1.00 0.00 C ATOM 770 C MET A 71 -0.984 -6.287 5.645 1.00 0.00 C ATOM 771 O MET A 71 -0.862 -7.463 5.989 1.00 0.00 O ATOM 772 CB MET A 71 -0.480 -5.264 3.364 1.00 0.00 C ATOM 773 CG MET A 71 -0.903 -5.044 1.905 1.00 0.00 C ATOM 774 SD MET A 71 0.245 -3.985 0.983 1.00 0.00 S ATOM 775 CE MET A 71 -0.063 -4.526 -0.719 1.00 0.00 C ATOM 0 H MET A 71 -2.634 -4.180 3.982 1.00 0.00 H new ATOM 0 HA MET A 71 -1.814 -6.864 3.741 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.225 -4.299 3.802 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.426 -5.869 3.376 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.978 -6.010 1.405 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.897 -4.597 1.885 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.690 -4.096 -1.379 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.012 -5.614 -0.770 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.053 -4.194 -1.033 1.00 0.00 H new ATOM 785 N ALA A 72 -0.718 -5.282 6.489 1.00 0.00 N ATOM 786 CA ALA A 72 -0.257 -5.502 7.857 1.00 0.00 C ATOM 787 C ALA A 72 -1.275 -6.314 8.674 1.00 0.00 C ATOM 788 O ALA A 72 -0.894 -7.122 9.520 1.00 0.00 O ATOM 789 CB ALA A 72 0.034 -4.156 8.533 1.00 0.00 C ATOM 0 H ALA A 72 -0.817 -4.298 6.239 1.00 0.00 H new ATOM 0 HA ALA A 72 0.663 -6.085 7.816 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.377 -4.328 9.553 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.807 -3.628 7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.875 -3.555 8.553 1.00 0.00 H new ATOM 795 N ARG A 73 -2.573 -6.105 8.455 1.00 0.00 N ATOM 796 CA ARG A 73 -3.670 -6.818 9.112 1.00 0.00 C ATOM 797 C ARG A 73 -3.598 -8.303 8.769 1.00 0.00 C ATOM 798 O ARG A 73 -3.638 -9.140 9.673 1.00 0.00 O ATOM 799 CB ARG A 73 -5.000 -6.195 8.644 1.00 0.00 C ATOM 800 CG ARG A 73 -6.214 -6.303 9.571 1.00 0.00 C ATOM 801 CD ARG A 73 -6.470 -5.007 10.352 1.00 0.00 C ATOM 802 NE ARG A 73 -5.568 -4.859 11.501 1.00 0.00 N ATOM 803 CZ ARG A 73 -5.765 -5.395 12.711 1.00 0.00 C ATOM 804 NH1 ARG A 73 -6.804 -6.186 12.968 1.00 0.00 N ATOM 805 NH2 ARG A 73 -4.902 -5.119 13.673 1.00 0.00 N ATOM 0 H ARG A 73 -2.903 -5.407 7.789 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.596 -6.727 10.196 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.822 -5.137 8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.266 -6.654 7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.097 -6.549 8.982 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.060 -7.123 10.273 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.347 -4.154 9.685 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.503 -4.994 10.700 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.724 -4.303 11.366 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.477 -6.399 12.232 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.927 -6.580 13.901 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.106 -4.509 13.485 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.031 -5.516 14.604 1.00 0.00 H new ATOM 819 N LEU A 74 -3.487 -8.647 7.486 1.00 0.00 N ATOM 820 CA LEU A 74 -3.347 -10.009 7.014 1.00 0.00 C ATOM 821 C LEU A 74 -2.099 -10.652 7.582 1.00 0.00 C ATOM 822 O LEU A 74 -2.196 -11.759 8.118 1.00 0.00 O ATOM 823 CB LEU A 74 -3.315 -10.018 5.482 1.00 0.00 C ATOM 824 CG LEU A 74 -4.725 -10.090 4.890 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.675 -9.711 3.412 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.312 -11.504 5.020 1.00 0.00 C ATOM 0 H LEU A 74 -3.493 -7.961 6.732 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.202 -10.592 7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.814 -9.119 5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.730 -10.869 5.135 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.360 -9.396 5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.678 -9.762 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.289 -8.697 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.022 -10.403 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.314 -11.523 4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.676 -12.212 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.363 -11.781 6.073 1.00 0.00 H new ATOM 838 N GLN A 75 -0.963 -9.961 7.522 1.00 0.00 N ATOM 839 CA GLN A 75 0.295 -10.483 8.021 1.00 0.00 C ATOM 840 C GLN A 75 0.207 -10.733 9.528 1.00 0.00 C ATOM 841 O GLN A 75 0.699 -11.750 10.012 1.00 0.00 O ATOM 842 CB GLN A 75 1.413 -9.493 7.670 1.00 0.00 C ATOM 843 CG GLN A 75 2.789 -10.165 7.548 1.00 0.00 C ATOM 844 CD GLN A 75 2.871 -11.222 6.447 1.00 0.00 C ATOM 845 OE1 GLN A 75 2.750 -12.414 6.726 1.00 0.00 O ATOM 846 NE2 GLN A 75 3.111 -10.845 5.202 1.00 0.00 N ATOM 0 H GLN A 75 -0.895 -9.024 7.125 1.00 0.00 H new ATOM 0 HA GLN A 75 0.518 -11.441 7.552 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.171 -8.998 6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.459 -8.718 8.435 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.540 -9.399 7.358 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.041 -10.629 8.502 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.210 -9.855 4.979 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.197 -11.545 4.465 1.00 0.00 H new ATOM 855 N GLU A 76 -0.480 -9.862 10.270 1.00 0.00 N ATOM 856 CA GLU A 76 -0.755 -10.063 11.695 1.00 0.00 C ATOM 857 C GLU A 76 -1.560 -11.349 11.930 1.00 0.00 C ATOM 858 O GLU A 76 -1.285 -12.080 12.885 1.00 0.00 O ATOM 859 CB GLU A 76 -1.452 -8.827 12.287 1.00 0.00 C ATOM 860 CG GLU A 76 -1.702 -8.917 13.801 1.00 0.00 C ATOM 861 CD GLU A 76 -2.678 -7.843 14.287 1.00 0.00 C ATOM 862 OE1 GLU A 76 -3.863 -7.894 13.888 1.00 0.00 O ATOM 863 OE2 GLU A 76 -2.298 -6.994 15.132 1.00 0.00 O ATOM 0 H GLU A 76 -0.863 -8.993 9.898 1.00 0.00 H new ATOM 0 HA GLU A 76 0.194 -10.187 12.217 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.844 -7.946 12.081 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.406 -8.682 11.779 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.097 -9.903 14.045 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.755 -8.813 14.331 1.00 0.00 H new ATOM 870 N SER A 77 -2.484 -11.696 11.030 1.00 0.00 N ATOM 871 CA SER A 77 -3.226 -12.957 11.116 1.00 0.00 C ATOM 872 C SER A 77 -2.436 -14.132 10.506 1.00 0.00 C ATOM 873 O SER A 77 -2.903 -15.271 10.520 1.00 0.00 O ATOM 874 CB SER A 77 -4.622 -12.797 10.489 1.00 0.00 C ATOM 875 OG SER A 77 -4.615 -12.091 9.257 1.00 0.00 O ATOM 0 H SER A 77 -2.737 -11.118 10.229 1.00 0.00 H new ATOM 0 HA SER A 77 -3.362 -13.204 12.169 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.055 -13.785 10.330 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.270 -12.275 11.193 1.00 0.00 H new ATOM 0 HG SER A 77 -3.773 -12.263 8.786 1.00 0.00 H new ATOM 881 N GLY A 78 -1.221 -13.892 10.009 1.00 0.00 N ATOM 882 CA GLY A 78 -0.343 -14.914 9.476 1.00 0.00 C ATOM 883 C GLY A 78 -0.739 -15.323 8.065 1.00 0.00 C ATOM 884 O GLY A 78 -0.472 -16.462 7.666 1.00 0.00 O ATOM 0 H GLY A 78 -0.818 -12.956 9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.683 -14.546 9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.366 -15.788 10.127 1.00 0.00 H new ATOM 888 N SER A 79 -1.362 -14.426 7.308 1.00 0.00 N ATOM 889 CA SER A 79 -1.922 -14.699 5.995 1.00 0.00 C ATOM 890 C SER A 79 -1.260 -13.786 4.960 1.00 0.00 C ATOM 891 O SER A 79 -0.897 -12.658 5.303 1.00 0.00 O ATOM 892 CB SER A 79 -3.440 -14.522 6.073 1.00 0.00 C ATOM 893 OG SER A 79 -3.947 -15.409 7.057 1.00 0.00 O ATOM 0 H SER A 79 -1.494 -13.459 7.604 1.00 0.00 H new ATOM 0 HA SER A 79 -1.724 -15.723 5.678 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.689 -13.492 6.328 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.896 -14.730 5.105 1.00 0.00 H new ATOM 0 HG SER A 79 -4.920 -15.306 7.120 1.00 0.00 H new ATOM 899 N PRO A 80 -1.076 -14.247 3.710 1.00 0.00 N ATOM 900 CA PRO A 80 -0.371 -13.474 2.706 1.00 0.00 C ATOM 901 C PRO A 80 -1.136 -12.223 2.333 1.00 0.00 C ATOM 902 O PRO A 80 -2.365 -12.204 2.278 1.00 0.00 O ATOM 903 CB PRO A 80 -0.228 -14.359 1.470 1.00 0.00 C ATOM 904 CG PRO A 80 -1.273 -15.450 1.675 1.00 0.00 C ATOM 905 CD PRO A 80 -1.415 -15.559 3.190 1.00 0.00 C ATOM 0 HA PRO A 80 0.598 -13.166 3.098 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -0.411 -13.798 0.554 1.00 0.00 H new ATOM 0 HB3 PRO A 80 0.776 -14.777 1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.220 -15.186 1.205 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -0.952 -16.395 1.237 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.430 -15.841 3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.750 -16.324 3.592 1.00 0.00 H new ATOM 913 N ILE A 81 -0.367 -11.236 1.905 1.00 0.00 N ATOM 914 CA ILE A 81 -0.834 -9.935 1.461 1.00 0.00 C ATOM 915 C ILE A 81 -1.031 -9.908 -0.061 1.00 0.00 C ATOM 916 O ILE A 81 -1.072 -8.840 -0.671 1.00 0.00 O ATOM 917 CB ILE A 81 0.164 -8.880 1.975 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.548 -9.035 1.313 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.278 -8.977 3.510 1.00 0.00 C ATOM 920 CD1 ILE A 81 2.481 -7.877 1.629 1.00 0.00 C ATOM 0 H ILE A 81 0.648 -11.325 1.856 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.818 -9.709 1.873 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.212 -7.893 1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.005 -9.966 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.423 -9.112 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.985 -8.229 3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.699 -8.799 3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.629 -9.971 3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.440 -8.038 1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.041 -6.947 1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.631 -7.815 2.707 1.00 0.00 H new ATOM 932 N ASP A 82 -1.120 -11.092 -0.672 1.00 0.00 N ATOM 933 CA ASP A 82 -1.292 -11.239 -2.117 1.00 0.00 C ATOM 934 C ASP A 82 -2.630 -10.639 -2.559 1.00 0.00 C ATOM 935 O ASP A 82 -3.575 -10.623 -1.769 1.00 0.00 O ATOM 936 CB ASP A 82 -1.198 -12.720 -2.508 1.00 0.00 C ATOM 937 CG ASP A 82 -0.565 -12.890 -3.884 1.00 0.00 C ATOM 938 OD1 ASP A 82 -0.896 -12.125 -4.809 1.00 0.00 O ATOM 939 OD2 ASP A 82 0.272 -13.811 -4.049 1.00 0.00 O ATOM 0 H ASP A 82 -1.074 -11.981 -0.173 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.495 -10.697 -2.627 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.609 -13.258 -1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.194 -13.163 -2.506 1.00 0.00 H new ATOM 944 N LEU A 83 -2.726 -10.195 -3.819 1.00 0.00 N ATOM 945 CA LEU A 83 -3.817 -9.386 -4.373 1.00 0.00 C ATOM 946 C LEU A 83 -5.180 -9.888 -3.933 1.00 0.00 C ATOM 947 O LEU A 83 -5.963 -9.142 -3.348 1.00 0.00 O ATOM 948 CB LEU A 83 -3.728 -9.371 -5.914 1.00 0.00 C ATOM 949 CG LEU A 83 -4.517 -8.273 -6.661 1.00 0.00 C ATOM 950 CD1 LEU A 83 -6.007 -8.108 -6.367 1.00 0.00 C ATOM 951 CD2 LEU A 83 -3.865 -6.924 -6.403 1.00 0.00 C ATOM 0 H LEU A 83 -2.008 -10.401 -4.514 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.705 -8.372 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.678 -9.278 -6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.069 -10.339 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.473 -8.620 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.410 -7.296 -6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.530 -9.034 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.146 -7.876 -5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.419 -6.146 -6.928 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.872 -6.715 -5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.836 -6.943 -6.762 1.00 0.00 H new ATOM 963 N ILE A 84 -5.480 -11.147 -4.238 1.00 0.00 N ATOM 964 CA ILE A 84 -6.794 -11.712 -4.074 1.00 0.00 C ATOM 965 C ILE A 84 -7.136 -11.766 -2.581 1.00 0.00 C ATOM 966 O ILE A 84 -8.231 -11.380 -2.174 1.00 0.00 O ATOM 967 CB ILE A 84 -6.786 -13.096 -4.752 1.00 0.00 C ATOM 968 CG1 ILE A 84 -5.933 -13.224 -6.043 1.00 0.00 C ATOM 969 CG2 ILE A 84 -8.230 -13.538 -5.016 1.00 0.00 C ATOM 970 CD1 ILE A 84 -6.352 -12.345 -7.226 1.00 0.00 C ATOM 0 H ILE A 84 -4.797 -11.806 -4.612 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.570 -11.108 -4.544 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.287 -13.758 -4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.898 -12.990 -5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.956 -14.265 -6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.229 -14.517 -5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.771 -13.597 -4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.718 -12.815 -5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.682 -12.523 -8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.373 -12.590 -7.518 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.299 -11.296 -6.936 1.00 0.00 H new ATOM 982 N THR A 85 -6.175 -12.197 -1.763 1.00 0.00 N ATOM 983 CA THR A 85 -6.291 -12.286 -0.322 1.00 0.00 C ATOM 984 C THR A 85 -6.577 -10.910 0.271 1.00 0.00 C ATOM 985 O THR A 85 -7.493 -10.753 1.077 1.00 0.00 O ATOM 986 CB THR A 85 -5.017 -12.912 0.278 1.00 0.00 C ATOM 987 OG1 THR A 85 -4.491 -13.923 -0.568 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.313 -13.542 1.640 1.00 0.00 C ATOM 0 H THR A 85 -5.265 -12.503 -2.107 1.00 0.00 H new ATOM 0 HA THR A 85 -7.129 -12.935 -0.069 1.00 0.00 H new ATOM 0 HB THR A 85 -4.289 -12.108 0.384 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.683 -14.301 -0.163 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.400 -13.978 2.045 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.684 -12.777 2.322 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.067 -14.321 1.525 1.00 0.00 H new ATOM 996 N LEU A 86 -5.798 -9.922 -0.156 1.00 0.00 N ATOM 997 CA LEU A 86 -5.847 -8.535 0.273 1.00 0.00 C ATOM 998 C LEU A 86 -7.188 -7.913 -0.049 1.00 0.00 C ATOM 999 O LEU A 86 -7.800 -7.284 0.809 1.00 0.00 O ATOM 1000 CB LEU A 86 -4.714 -7.781 -0.425 1.00 0.00 C ATOM 1001 CG LEU A 86 -4.541 -6.328 0.039 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.310 -6.200 1.548 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -3.337 -5.755 -0.708 1.00 0.00 C ATOM 0 H LEU A 86 -5.072 -10.082 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.722 -8.478 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.780 -8.317 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.897 -7.787 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.461 -5.784 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.196 -5.148 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.163 -6.617 2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.407 -6.744 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.180 -4.720 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.449 -6.341 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.522 -5.795 -1.781 1.00 0.00 H new ATOM 1015 N ALA A 87 -7.635 -8.104 -1.285 1.00 0.00 N ATOM 1016 CA ALA A 87 -8.914 -7.611 -1.759 1.00 0.00 C ATOM 1017 C ALA A 87 -10.038 -8.170 -0.894 1.00 0.00 C ATOM 1018 O ALA A 87 -10.864 -7.410 -0.388 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.117 -7.984 -3.229 1.00 0.00 C ATOM 0 H ALA A 87 -7.108 -8.614 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.928 -6.524 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.081 -7.607 -3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.322 -7.543 -3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.093 -9.068 -3.336 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.066 -9.491 -0.714 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.097 -10.130 0.084 1.00 0.00 C ATOM 1027 C GLU A 88 -11.004 -9.712 1.551 1.00 0.00 C ATOM 1028 O GLU A 88 -12.042 -9.541 2.180 1.00 0.00 O ATOM 1029 CB GLU A 88 -11.051 -11.655 -0.088 1.00 0.00 C ATOM 1030 CG GLU A 88 -11.569 -12.080 -1.472 1.00 0.00 C ATOM 1031 CD GLU A 88 -11.719 -13.598 -1.575 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -10.706 -14.330 -1.632 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -12.867 -14.104 -1.578 1.00 0.00 O ATOM 0 H GLU A 88 -9.383 -10.135 -1.113 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.068 -9.791 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.028 -12.007 0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.652 -12.128 0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.531 -11.605 -1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.882 -11.729 -2.242 1.00 0.00 H new ATOM 1040 N SER A 89 -9.811 -9.481 2.101 1.00 0.00 N ATOM 1041 CA SER A 89 -9.659 -9.078 3.496 1.00 0.00 C ATOM 1042 C SER A 89 -10.113 -7.630 3.692 1.00 0.00 C ATOM 1043 O SER A 89 -10.784 -7.313 4.676 1.00 0.00 O ATOM 1044 CB SER A 89 -8.225 -9.319 3.971 1.00 0.00 C ATOM 1045 OG SER A 89 -8.171 -9.468 5.379 1.00 0.00 O ATOM 0 H SER A 89 -8.930 -9.568 1.595 1.00 0.00 H new ATOM 0 HA SER A 89 -10.306 -9.696 4.119 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.826 -10.213 3.492 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.593 -8.485 3.666 1.00 0.00 H new ATOM 0 HG SER A 89 -7.841 -8.639 5.783 1.00 0.00 H new ATOM 1051 N LEU A 90 -9.836 -6.755 2.723 1.00 0.00 N ATOM 1052 CA LEU A 90 -10.396 -5.415 2.713 1.00 0.00 C ATOM 1053 C LEU A 90 -11.919 -5.526 2.676 1.00 0.00 C ATOM 1054 O LEU A 90 -12.583 -4.765 3.368 1.00 0.00 O ATOM 1055 CB LEU A 90 -9.873 -4.590 1.528 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.510 -3.909 1.746 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -7.929 -3.486 0.395 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -8.617 -2.675 2.661 1.00 0.00 C ATOM 0 H LEU A 90 -9.223 -6.959 1.934 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.086 -4.890 3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.799 -5.242 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.609 -3.822 1.289 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.856 -4.631 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.964 -3.004 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.799 -4.365 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.610 -2.788 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.631 -2.228 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.292 -1.946 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.004 -2.976 3.634 1.00 0.00 H new ATOM 1070 N GLU A 91 -12.503 -6.454 1.913 1.00 0.00 N ATOM 1071 CA GLU A 91 -13.933 -6.706 1.904 1.00 0.00 C ATOM 1072 C GLU A 91 -14.457 -7.259 3.232 1.00 0.00 C ATOM 1073 O GLU A 91 -15.551 -6.892 3.663 1.00 0.00 O ATOM 1074 CB GLU A 91 -14.278 -7.660 0.750 1.00 0.00 C ATOM 1075 CG GLU A 91 -15.481 -7.072 0.029 1.00 0.00 C ATOM 1076 CD GLU A 91 -16.130 -8.019 -0.975 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -16.480 -9.165 -0.608 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -16.482 -7.557 -2.082 1.00 0.00 O ATOM 0 H GLU A 91 -11.981 -7.057 1.277 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.429 -5.746 1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.433 -7.763 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.505 -8.657 1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.226 -6.778 0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.172 -6.165 -0.491 1.00 0.00 H new ATOM 1085 N ARG A 92 -13.680 -8.099 3.916 1.00 0.00 N ATOM 1086 CA ARG A 92 -14.000 -8.612 5.246 1.00 0.00 C ATOM 1087 C ARG A 92 -14.110 -7.439 6.219 1.00 0.00 C ATOM 1088 O ARG A 92 -15.073 -7.376 6.990 1.00 0.00 O ATOM 1089 CB ARG A 92 -12.952 -9.670 5.661 1.00 0.00 C ATOM 1090 CG ARG A 92 -13.010 -10.947 4.782 1.00 0.00 C ATOM 1091 CD ARG A 92 -13.758 -12.153 5.365 1.00 0.00 C ATOM 1092 NE ARG A 92 -14.940 -11.749 6.140 1.00 0.00 N ATOM 1093 CZ ARG A 92 -15.000 -11.645 7.470 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -14.010 -12.074 8.244 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -16.055 -11.084 8.030 1.00 0.00 N ATOM 0 H ARG A 92 -12.793 -8.448 3.553 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.964 -9.120 5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.955 -9.234 5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.112 -9.944 6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -13.476 -10.685 3.832 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.988 -11.255 4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.065 -12.815 4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.084 -12.723 6.004 1.00 0.00 H new ATOM 0 HE ARG A 92 -15.787 -11.529 5.617 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.180 -12.494 7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.079 -11.983 9.258 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -16.816 -10.734 7.448 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.110 -11.000 9.045 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.199 -6.470 6.132 1.00 0.00 N ATOM 1110 CA GLN A 93 -13.285 -5.208 6.862 1.00 0.00 C ATOM 1111 C GLN A 93 -14.234 -4.186 6.205 1.00 0.00 C ATOM 1112 O GLN A 93 -14.431 -3.112 6.769 1.00 0.00 O ATOM 1113 CB GLN A 93 -11.877 -4.616 7.065 1.00 0.00 C ATOM 1114 CG GLN A 93 -10.977 -5.514 7.936 1.00 0.00 C ATOM 1115 CD GLN A 93 -10.262 -4.731 9.038 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -10.571 -4.869 10.222 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -9.290 -3.903 8.710 1.00 0.00 N ATOM 0 H GLN A 93 -12.369 -6.542 5.544 1.00 0.00 H new ATOM 0 HA GLN A 93 -13.722 -5.432 7.835 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.405 -4.468 6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.963 -3.634 7.530 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.582 -6.301 8.387 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.237 -6.004 7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.030 -3.785 7.731 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.798 -3.381 9.435 1.00 0.00 H new ATOM 1126 N GLY A 94 -14.845 -4.472 5.049 1.00 0.00 N ATOM 1127 CA GLY A 94 -15.743 -3.557 4.350 1.00 0.00 C ATOM 1128 C GLY A 94 -15.076 -2.226 4.000 1.00 0.00 C ATOM 1129 O GLY A 94 -15.696 -1.165 4.099 1.00 0.00 O ATOM 0 H GLY A 94 -14.724 -5.363 4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.099 -4.032 3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.618 -3.368 4.972 1.00 0.00 H new ATOM 1133 N GLN A 95 -13.806 -2.283 3.608 1.00 0.00 N ATOM 1134 CA GLN A 95 -12.969 -1.171 3.183 1.00 0.00 C ATOM 1135 C GLN A 95 -12.437 -1.407 1.757 1.00 0.00 C ATOM 1136 O GLN A 95 -11.646 -0.611 1.259 1.00 0.00 O ATOM 1137 CB GLN A 95 -11.847 -0.960 4.224 1.00 0.00 C ATOM 1138 CG GLN A 95 -12.383 -0.353 5.536 1.00 0.00 C ATOM 1139 CD GLN A 95 -11.352 -0.376 6.667 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -10.221 0.088 6.532 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -11.703 -0.877 7.839 1.00 0.00 N ATOM 0 H GLN A 95 -13.303 -3.170 3.578 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.553 -0.252 3.136 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.365 -1.914 4.436 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.084 -0.304 3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.693 0.676 5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.271 -0.903 5.849 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.637 -1.266 7.968 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.040 -0.875 8.614 1.00 0.00 H new ATOM 1150 N LEU A 96 -12.869 -2.470 1.061 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.452 -2.740 -0.317 1.00 0.00 C ATOM 1152 C LEU A 96 -12.864 -1.594 -1.223 1.00 0.00 C ATOM 1153 O LEU A 96 -12.058 -1.085 -1.997 1.00 0.00 O ATOM 1154 CB LEU A 96 -13.018 -4.070 -0.822 1.00 0.00 C ATOM 1155 CG LEU A 96 -12.573 -4.393 -2.263 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -11.048 -4.416 -2.432 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -13.132 -5.753 -2.662 1.00 0.00 C ATOM 0 H LEU A 96 -13.515 -3.163 1.439 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.365 -2.823 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.698 -4.873 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.107 -4.037 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 96 -12.958 -3.599 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.800 -4.649 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.638 -3.440 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.621 -5.175 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.822 -5.989 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.754 -6.516 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.221 -5.728 -2.611 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.124 -1.176 -1.146 1.00 0.00 N ATOM 1170 CA ASP A 97 -14.587 -0.119 -2.032 1.00 0.00 C ATOM 1171 C ASP A 97 -13.952 1.220 -1.652 1.00 0.00 C ATOM 1172 O ASP A 97 -13.732 2.052 -2.527 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.112 -0.052 -2.052 1.00 0.00 C ATOM 1174 CG ASP A 97 -16.617 0.334 -3.440 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -16.507 -0.509 -4.365 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -17.229 1.417 -3.589 1.00 0.00 O ATOM 0 H ASP A 97 -14.823 -1.541 -0.499 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.267 -0.351 -3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.527 -1.018 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.459 0.676 -1.318 1.00 0.00 H new ATOM 1181 N SER A 98 -13.568 1.408 -0.383 1.00 0.00 N ATOM 1182 CA SER A 98 -12.881 2.600 0.106 1.00 0.00 C ATOM 1183 C SER A 98 -11.571 2.860 -0.637 1.00 0.00 C ATOM 1184 O SER A 98 -11.232 4.020 -0.894 1.00 0.00 O ATOM 1185 CB SER A 98 -12.578 2.450 1.599 1.00 0.00 C ATOM 1186 OG SER A 98 -13.734 2.083 2.323 1.00 0.00 O ATOM 0 H SER A 98 -13.733 0.715 0.347 1.00 0.00 H new ATOM 0 HA SER A 98 -13.546 3.446 -0.069 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.803 1.697 1.741 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.185 3.389 1.989 1.00 0.00 H new ATOM 0 HG SER A 98 -13.510 1.993 3.273 1.00 0.00 H new ATOM 1192 N VAL A 99 -10.842 1.808 -1.018 1.00 0.00 N ATOM 1193 CA VAL A 99 -9.557 1.987 -1.687 1.00 0.00 C ATOM 1194 C VAL A 99 -9.741 2.211 -3.188 1.00 0.00 C ATOM 1195 O VAL A 99 -8.771 2.521 -3.871 1.00 0.00 O ATOM 1196 CB VAL A 99 -8.575 0.844 -1.352 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -8.496 0.677 0.170 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -8.870 -0.522 -1.986 1.00 0.00 C ATOM 0 H VAL A 99 -11.117 0.836 -0.876 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.095 2.895 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.629 1.159 -1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.804 -0.129 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.144 1.605 0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.484 0.436 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.110 -1.239 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -9.851 -0.869 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.858 -0.429 -3.072 1.00 0.00 H new ATOM 1208 N GLY A 100 -10.971 2.114 -3.701 1.00 0.00 N ATOM 1209 CA GLY A 100 -11.283 2.160 -5.120 1.00 0.00 C ATOM 1210 C GLY A 100 -11.713 0.793 -5.655 1.00 0.00 C ATOM 1211 O GLY A 100 -11.876 0.648 -6.868 1.00 0.00 O ATOM 0 H GLY A 100 -11.798 1.998 -3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.079 2.884 -5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.410 2.508 -5.672 1.00 0.00 H new ATOM 1215 N GLY A 101 -11.916 -0.198 -4.783 1.00 0.00 N ATOM 1216 CA GLY A 101 -12.406 -1.515 -5.151 1.00 0.00 C ATOM 1217 C GLY A 101 -11.270 -2.469 -5.508 1.00 0.00 C ATOM 1218 O GLY A 101 -10.093 -2.096 -5.513 1.00 0.00 O ATOM 0 H GLY A 101 -11.739 -0.098 -3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.983 -1.931 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.084 -1.425 -6.000 1.00 0.00 H new ATOM 1222 N PHE A 102 -11.637 -3.708 -5.856 1.00 0.00 N ATOM 1223 CA PHE A 102 -10.719 -4.678 -6.445 1.00 0.00 C ATOM 1224 C PHE A 102 -10.085 -4.060 -7.691 1.00 0.00 C ATOM 1225 O PHE A 102 -8.907 -4.277 -7.943 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.459 -5.987 -6.793 1.00 0.00 C ATOM 1227 CG PHE A 102 -10.560 -7.170 -7.139 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -9.775 -7.173 -8.312 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -10.501 -8.285 -6.279 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -8.889 -8.233 -8.575 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -9.635 -9.358 -6.556 1.00 0.00 C ATOM 1232 CZ PHE A 102 -8.815 -9.324 -7.697 1.00 0.00 C ATOM 0 H PHE A 102 -12.585 -4.063 -5.734 1.00 0.00 H new ATOM 0 HA PHE A 102 -9.937 -4.927 -5.727 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.089 -6.265 -5.948 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.123 -5.797 -7.636 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.855 -6.355 -9.013 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -11.127 -8.316 -5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.264 -8.207 -9.455 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -9.600 -10.209 -5.892 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.130 -10.135 -7.897 1.00 0.00 H new ATOM 1242 N ALA A 103 -10.845 -3.269 -8.454 1.00 0.00 N ATOM 1243 CA ALA A 103 -10.350 -2.607 -9.647 1.00 0.00 C ATOM 1244 C ALA A 103 -9.100 -1.770 -9.359 1.00 0.00 C ATOM 1245 O ALA A 103 -8.127 -1.881 -10.105 1.00 0.00 O ATOM 1246 CB ALA A 103 -11.469 -1.750 -10.245 1.00 0.00 C ATOM 0 H ALA A 103 -11.826 -3.074 -8.253 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.051 -3.366 -10.370 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.104 -1.249 -11.142 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -12.316 -2.386 -10.503 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.785 -1.004 -9.516 1.00 0.00 H new ATOM 1252 N TYR A 104 -9.102 -0.966 -8.293 1.00 0.00 N ATOM 1253 CA TYR A 104 -7.946 -0.148 -7.949 1.00 0.00 C ATOM 1254 C TYR A 104 -6.754 -1.028 -7.575 1.00 0.00 C ATOM 1255 O TYR A 104 -5.633 -0.764 -8.009 1.00 0.00 O ATOM 1256 CB TYR A 104 -8.316 0.831 -6.833 1.00 0.00 C ATOM 1257 CG TYR A 104 -7.281 1.913 -6.603 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -7.292 3.067 -7.410 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -6.316 1.779 -5.588 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -6.326 4.071 -7.229 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -5.363 2.792 -5.383 1.00 0.00 C ATOM 1262 CZ TYR A 104 -5.350 3.928 -6.219 1.00 0.00 C ATOM 1263 OH TYR A 104 -4.395 4.874 -6.036 1.00 0.00 O ATOM 0 H TYR A 104 -9.893 -0.867 -7.656 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.646 0.437 -8.818 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -9.270 1.299 -7.074 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.459 0.275 -5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.048 3.181 -8.173 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.307 0.897 -4.965 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.330 4.948 -7.859 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.641 2.700 -4.585 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.829 4.625 -5.276 1.00 0.00 H new ATOM 1273 N LEU A 105 -6.988 -2.109 -6.822 1.00 0.00 N ATOM 1274 CA LEU A 105 -5.943 -3.078 -6.500 1.00 0.00 C ATOM 1275 C LEU A 105 -5.371 -3.691 -7.777 1.00 0.00 C ATOM 1276 O LEU A 105 -4.154 -3.780 -7.909 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.465 -4.183 -5.564 1.00 0.00 C ATOM 1278 CG LEU A 105 -6.924 -3.692 -4.182 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -7.599 -4.838 -3.432 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -5.755 -3.183 -3.334 1.00 0.00 C ATOM 0 H LEU A 105 -7.900 -2.332 -6.423 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.149 -2.546 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.300 -4.688 -6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.679 -4.926 -5.428 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.617 -2.867 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.924 -4.490 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.463 -5.185 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.892 -5.659 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.127 -2.846 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.035 -3.988 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.270 -2.352 -3.845 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.220 -4.104 -8.723 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.775 -4.742 -9.952 1.00 0.00 C ATOM 1294 C ALA A 106 -4.949 -3.770 -10.811 1.00 0.00 C ATOM 1295 O ALA A 106 -4.058 -4.194 -11.549 1.00 0.00 O ATOM 1296 CB ALA A 106 -6.991 -5.241 -10.740 1.00 0.00 C ATOM 0 H ALA A 106 -7.233 -4.003 -8.652 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.137 -5.587 -9.694 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.657 -5.719 -11.661 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.544 -5.961 -10.137 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.638 -4.398 -10.983 1.00 0.00 H new ATOM 1302 N GLU A 107 -5.253 -2.471 -10.737 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.482 -1.405 -11.366 1.00 0.00 C ATOM 1304 C GLU A 107 -3.093 -1.363 -10.720 1.00 0.00 C ATOM 1305 O GLU A 107 -2.090 -1.571 -11.405 1.00 0.00 O ATOM 1306 CB GLU A 107 -5.245 -0.066 -11.248 1.00 0.00 C ATOM 1307 CG GLU A 107 -5.035 0.864 -12.450 1.00 0.00 C ATOM 1308 CD GLU A 107 -5.913 0.506 -13.651 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -7.155 0.664 -13.574 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -5.391 0.090 -14.709 1.00 0.00 O ATOM 0 H GLU A 107 -6.064 -2.127 -10.223 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.349 -1.592 -12.432 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.310 -0.272 -11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -4.925 0.447 -10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -5.245 1.890 -12.148 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.988 0.828 -12.750 1.00 0.00 H new ATOM 1317 N LEU A 108 -3.038 -1.182 -9.393 1.00 0.00 N ATOM 1318 CA LEU A 108 -1.799 -1.102 -8.620 1.00 0.00 C ATOM 1319 C LEU A 108 -0.890 -2.284 -8.910 1.00 0.00 C ATOM 1320 O LEU A 108 0.296 -2.089 -9.162 1.00 0.00 O ATOM 1321 CB LEU A 108 -2.079 -1.096 -7.111 1.00 0.00 C ATOM 1322 CG LEU A 108 -2.672 0.201 -6.557 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -3.085 -0.064 -5.112 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -1.662 1.345 -6.560 1.00 0.00 C ATOM 0 H LEU A 108 -3.875 -1.085 -8.818 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.315 -0.171 -8.916 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.762 -1.914 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.147 -1.303 -6.585 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.513 0.494 -7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.513 0.842 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.826 -0.863 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.211 -0.361 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.129 2.244 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.805 1.075 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.330 1.534 -7.581 1.00 0.00 H new ATOM 1336 N SER A 109 -1.443 -3.495 -8.872 1.00 0.00 N ATOM 1337 CA SER A 109 -0.694 -4.725 -9.054 1.00 0.00 C ATOM 1338 C SER A 109 0.036 -4.682 -10.395 1.00 0.00 C ATOM 1339 O SER A 109 1.202 -5.067 -10.488 1.00 0.00 O ATOM 1340 CB SER A 109 -1.660 -5.912 -8.983 1.00 0.00 C ATOM 1341 OG SER A 109 -1.023 -7.079 -8.502 1.00 0.00 O ATOM 0 H SER A 109 -2.439 -3.645 -8.711 1.00 0.00 H new ATOM 0 HA SER A 109 0.051 -4.837 -8.267 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.498 -5.661 -8.332 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.072 -6.105 -9.973 1.00 0.00 H new ATOM 0 HG SER A 109 -1.670 -7.815 -8.469 1.00 0.00 H new ATOM 1347 N LYS A 110 -0.644 -4.216 -11.451 1.00 0.00 N ATOM 1348 CA LYS A 110 -0.062 -4.165 -12.786 1.00 0.00 C ATOM 1349 C LYS A 110 1.003 -3.084 -12.896 1.00 0.00 C ATOM 1350 O LYS A 110 1.986 -3.283 -13.608 1.00 0.00 O ATOM 1351 CB LYS A 110 -1.178 -4.000 -13.828 1.00 0.00 C ATOM 1352 CG LYS A 110 -0.670 -4.192 -15.267 1.00 0.00 C ATOM 1353 CD LYS A 110 -1.768 -4.196 -16.344 1.00 0.00 C ATOM 1354 CE LYS A 110 -2.789 -5.332 -16.201 1.00 0.00 C ATOM 1355 NZ LYS A 110 -2.276 -6.632 -16.677 1.00 0.00 N ATOM 0 H LYS A 110 -1.602 -3.869 -11.399 1.00 0.00 H new ATOM 0 HA LYS A 110 0.450 -5.106 -12.985 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.970 -4.722 -13.626 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.619 -3.008 -13.730 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.040 -3.397 -15.495 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.124 -5.134 -15.322 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.296 -3.243 -16.312 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.298 -4.267 -17.325 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.079 -5.423 -15.154 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.689 -5.076 -16.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.009 -7.360 -16.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.025 -6.559 -17.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.433 -6.895 -16.128 1.00 0.00 H new ATOM 1369 N ASN A 111 0.841 -1.988 -12.162 1.00 0.00 N ATOM 1370 CA ASN A 111 1.630 -0.766 -12.307 1.00 0.00 C ATOM 1371 C ASN A 111 2.959 -0.801 -11.553 1.00 0.00 C ATOM 1372 O ASN A 111 3.553 0.250 -11.310 1.00 0.00 O ATOM 1373 CB ASN A 111 0.793 0.477 -11.933 1.00 0.00 C ATOM 1374 CG ASN A 111 -0.326 0.777 -12.919 1.00 0.00 C ATOM 1375 OD1 ASN A 111 -0.196 0.573 -14.128 1.00 0.00 O ATOM 1376 ND2 ASN A 111 -1.444 1.294 -12.449 1.00 0.00 N ATOM 0 H ASN A 111 0.136 -1.922 -11.427 1.00 0.00 H new ATOM 0 HA ASN A 111 1.898 -0.698 -13.361 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.363 0.331 -10.942 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.452 1.343 -11.870 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.206 1.527 -13.086 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.547 1.461 -11.448 1.00 0.00 H new ATOM 1383 N THR A 112 3.468 -1.987 -11.230 1.00 0.00 N ATOM 1384 CA THR A 112 4.828 -2.146 -10.722 1.00 0.00 C ATOM 1385 C THR A 112 5.580 -3.112 -11.643 1.00 0.00 C ATOM 1386 O THR A 112 5.076 -4.203 -11.919 1.00 0.00 O ATOM 1387 CB THR A 112 4.847 -2.613 -9.258 1.00 0.00 C ATOM 1388 OG1 THR A 112 4.070 -1.752 -8.458 1.00 0.00 O ATOM 1389 CG2 THR A 112 6.276 -2.609 -8.694 1.00 0.00 C ATOM 0 H THR A 112 2.951 -2.863 -11.313 1.00 0.00 H new ATOM 0 HA THR A 112 5.330 -1.178 -10.726 1.00 0.00 H new ATOM 0 HB THR A 112 4.443 -3.625 -9.238 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.487 -1.660 -7.576 1.00 0.00 H new ATOM 0 HG21 THR A 112 6.259 -2.944 -7.657 1.00 0.00 H new ATOM 0 HG22 THR A 112 6.901 -3.281 -9.282 1.00 0.00 H new ATOM 0 HG23 THR A 112 6.683 -1.599 -8.743 1.00 0.00 H new ATOM 1397 N PRO A 113 6.789 -2.757 -12.111 1.00 0.00 N ATOM 1398 CA PRO A 113 7.600 -3.637 -12.936 1.00 0.00 C ATOM 1399 C PRO A 113 8.218 -4.763 -12.091 1.00 0.00 C ATOM 1400 O PRO A 113 9.366 -4.654 -11.675 1.00 0.00 O ATOM 1401 CB PRO A 113 8.632 -2.710 -13.593 1.00 0.00 C ATOM 1402 CG PRO A 113 8.811 -1.575 -12.590 1.00 0.00 C ATOM 1403 CD PRO A 113 7.430 -1.455 -11.958 1.00 0.00 C ATOM 0 HA PRO A 113 7.028 -4.165 -13.699 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.572 -3.229 -13.778 1.00 0.00 H new ATOM 0 HB3 PRO A 113 8.278 -2.339 -14.555 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.575 -1.808 -11.849 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.113 -0.649 -13.079 1.00 0.00 H new ATOM 0 HD2 PRO A 113 7.508 -1.182 -10.906 1.00 0.00 H new ATOM 0 HD3 PRO A 113 6.846 -0.675 -12.447 1.00 0.00 H new ATOM 1411 N SER A 114 7.458 -5.833 -11.814 1.00 0.00 N ATOM 1412 CA SER A 114 7.896 -7.035 -11.090 1.00 0.00 C ATOM 1413 C SER A 114 8.834 -6.729 -9.911 1.00 0.00 C ATOM 1414 O SER A 114 9.941 -7.265 -9.819 1.00 0.00 O ATOM 1415 CB SER A 114 8.469 -8.051 -12.090 1.00 0.00 C ATOM 1416 OG SER A 114 7.406 -8.715 -12.755 1.00 0.00 O ATOM 0 H SER A 114 6.481 -5.886 -12.101 1.00 0.00 H new ATOM 0 HA SER A 114 7.026 -7.486 -10.612 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.105 -7.544 -12.815 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.095 -8.776 -11.569 1.00 0.00 H new ATOM 0 HG SER A 114 7.773 -9.361 -13.394 1.00 0.00 H new ATOM 1422 N ALA A 115 8.359 -5.866 -9.002 1.00 0.00 N ATOM 1423 CA ALA A 115 9.031 -5.305 -7.827 1.00 0.00 C ATOM 1424 C ALA A 115 10.233 -4.401 -8.151 1.00 0.00 C ATOM 1425 O ALA A 115 10.371 -3.358 -7.509 1.00 0.00 O ATOM 1426 CB ALA A 115 9.378 -6.408 -6.814 1.00 0.00 C ATOM 0 H ALA A 115 7.406 -5.512 -9.080 1.00 0.00 H new ATOM 0 HA ALA A 115 8.311 -4.631 -7.363 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.876 -5.966 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 115 8.464 -6.905 -6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 115 10.041 -7.136 -7.282 1.00 0.00 H new ATOM 1432 N ALA A 116 11.048 -4.739 -9.154 1.00 0.00 N ATOM 1433 CA ALA A 116 12.270 -4.066 -9.583 1.00 0.00 C ATOM 1434 C ALA A 116 13.156 -3.702 -8.389 1.00 0.00 C ATOM 1435 O ALA A 116 13.824 -4.580 -7.836 1.00 0.00 O ATOM 1436 CB ALA A 116 11.934 -2.878 -10.494 1.00 0.00 C ATOM 0 H ALA A 116 10.851 -5.557 -9.731 1.00 0.00 H new ATOM 0 HA ALA A 116 12.866 -4.754 -10.183 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.856 -2.386 -10.806 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.398 -3.234 -11.373 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.310 -2.168 -9.951 1.00 0.00 H new ATOM 1442 N ASN A 117 13.151 -2.437 -7.960 1.00 0.00 N ATOM 1443 CA ASN A 117 13.807 -1.983 -6.743 1.00 0.00 C ATOM 1444 C ASN A 117 12.743 -1.466 -5.791 1.00 0.00 C ATOM 1445 O ASN A 117 12.470 -0.269 -5.725 1.00 0.00 O ATOM 1446 CB ASN A 117 15.000 -1.065 -7.021 1.00 0.00 C ATOM 1447 CG ASN A 117 15.928 -1.079 -5.805 1.00 0.00 C ATOM 1448 OD1 ASN A 117 15.523 -1.401 -4.688 1.00 0.00 O ATOM 1449 ND2 ASN A 117 17.201 -0.796 -5.993 1.00 0.00 N ATOM 0 H ASN A 117 12.678 -1.687 -8.465 1.00 0.00 H new ATOM 0 HA ASN A 117 14.297 -2.810 -6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 117 15.536 -1.401 -7.908 1.00 0.00 H new ATOM 0 HB3 ASN A 117 14.656 -0.050 -7.222 1.00 0.00 H new ATOM 0 HD21 ASN A 117 17.855 -0.843 -5.212 1.00 0.00 H new ATOM 0 HD22 ASN A 117 17.533 -0.530 -6.920 1.00 0.00 H new ATOM 1456 N ILE A 118 12.091 -2.396 -5.096 1.00 0.00 N ATOM 1457 CA ILE A 118 11.005 -2.128 -4.166 1.00 0.00 C ATOM 1458 C ILE A 118 11.520 -1.453 -2.917 1.00 0.00 C ATOM 1459 O ILE A 118 10.888 -0.541 -2.396 1.00 0.00 O ATOM 1460 CB ILE A 118 10.268 -3.443 -3.866 1.00 0.00 C ATOM 1461 CG1 ILE A 118 8.799 -3.232 -3.461 1.00 0.00 C ATOM 1462 CG2 ILE A 118 10.931 -4.339 -2.815 1.00 0.00 C ATOM 1463 CD1 ILE A 118 7.964 -2.579 -4.558 1.00 0.00 C ATOM 0 H ILE A 118 12.314 -3.388 -5.170 1.00 0.00 H new ATOM 0 HA ILE A 118 10.294 -1.434 -4.614 1.00 0.00 H new ATOM 0 HB ILE A 118 10.322 -3.961 -4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.358 -4.194 -3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.761 -2.612 -2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.334 -5.240 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.931 -4.614 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.001 -3.801 -1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.938 -2.458 -4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.383 -1.603 -4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.974 -3.210 -5.447 1.00 0.00 H new ATOM 1475 N SER A 119 12.699 -1.877 -2.489 1.00 0.00 N ATOM 1476 CA SER A 119 13.437 -1.275 -1.397 1.00 0.00 C ATOM 1477 C SER A 119 13.654 0.203 -1.695 1.00 0.00 C ATOM 1478 O SER A 119 13.362 1.058 -0.866 1.00 0.00 O ATOM 1479 CB SER A 119 14.767 -2.024 -1.209 1.00 0.00 C ATOM 1480 OG SER A 119 14.616 -3.414 -1.458 1.00 0.00 O ATOM 0 H SER A 119 13.180 -2.673 -2.907 1.00 0.00 H new ATOM 0 HA SER A 119 12.876 -1.351 -0.465 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.518 -1.611 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.132 -1.872 -0.193 1.00 0.00 H new ATOM 0 HG SER A 119 14.746 -3.912 -0.624 1.00 0.00 H new ATOM 1486 N ALA A 120 14.074 0.489 -2.926 1.00 0.00 N ATOM 1487 CA ALA A 120 14.277 1.828 -3.440 1.00 0.00 C ATOM 1488 C ALA A 120 12.957 2.595 -3.544 1.00 0.00 C ATOM 1489 O ALA A 120 12.919 3.769 -3.191 1.00 0.00 O ATOM 1490 CB ALA A 120 14.975 1.729 -4.794 1.00 0.00 C ATOM 0 H ALA A 120 14.288 -0.236 -3.611 1.00 0.00 H new ATOM 0 HA ALA A 120 14.905 2.390 -2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.135 2.730 -5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.936 1.229 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.353 1.158 -5.483 1.00 0.00 H new ATOM 1496 N TYR A 121 11.862 1.961 -3.979 1.00 0.00 N ATOM 1497 CA TYR A 121 10.570 2.622 -4.032 1.00 0.00 C ATOM 1498 C TYR A 121 10.132 2.992 -2.612 1.00 0.00 C ATOM 1499 O TYR A 121 9.705 4.124 -2.385 1.00 0.00 O ATOM 1500 CB TYR A 121 9.526 1.732 -4.727 1.00 0.00 C ATOM 1501 CG TYR A 121 9.641 1.588 -6.239 1.00 0.00 C ATOM 1502 CD1 TYR A 121 9.721 2.733 -7.057 1.00 0.00 C ATOM 1503 CD2 TYR A 121 9.586 0.317 -6.850 1.00 0.00 C ATOM 1504 CE1 TYR A 121 9.761 2.604 -8.457 1.00 0.00 C ATOM 1505 CE2 TYR A 121 9.623 0.178 -8.247 1.00 0.00 C ATOM 1506 CZ TYR A 121 9.687 1.326 -9.061 1.00 0.00 C ATOM 1507 OH TYR A 121 9.631 1.204 -10.414 1.00 0.00 O ATOM 0 H TYR A 121 11.853 0.992 -4.297 1.00 0.00 H new ATOM 0 HA TYR A 121 10.657 3.535 -4.622 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.581 0.737 -4.286 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.536 2.128 -4.498 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.752 3.714 -6.607 1.00 0.00 H new ATOM 0 HD2 TYR A 121 9.514 -0.565 -6.232 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.849 3.485 -9.075 1.00 0.00 H new ATOM 0 HE2 TYR A 121 9.602 -0.804 -8.695 1.00 0.00 H new ATOM 0 HH TYR A 121 9.585 0.255 -10.655 1.00 0.00 H new ATOM 1517 N ALA A 122 10.272 2.078 -1.648 1.00 0.00 N ATOM 1518 CA ALA A 122 9.932 2.339 -0.263 1.00 0.00 C ATOM 1519 C ALA A 122 10.854 3.396 0.349 1.00 0.00 C ATOM 1520 O ALA A 122 10.380 4.218 1.127 1.00 0.00 O ATOM 1521 CB ALA A 122 9.970 1.029 0.518 1.00 0.00 C ATOM 0 H ALA A 122 10.626 1.136 -1.815 1.00 0.00 H new ATOM 0 HA ALA A 122 8.922 2.747 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.715 1.219 1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.251 0.330 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.971 0.601 0.462 1.00 0.00 H new ATOM 1527 N ASP A 123 12.138 3.423 -0.018 1.00 0.00 N ATOM 1528 CA ASP A 123 13.082 4.448 0.420 1.00 0.00 C ATOM 1529 C ASP A 123 12.579 5.824 0.003 1.00 0.00 C ATOM 1530 O ASP A 123 12.650 6.744 0.810 1.00 0.00 O ATOM 1531 CB ASP A 123 14.494 4.253 -0.158 1.00 0.00 C ATOM 1532 CG ASP A 123 15.388 3.309 0.638 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.575 3.504 1.860 1.00 0.00 O ATOM 1534 OD2 ASP A 123 16.032 2.434 0.021 1.00 0.00 O ATOM 0 H ASP A 123 12.553 2.725 -0.635 1.00 0.00 H new ATOM 0 HA ASP A 123 13.149 4.363 1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.405 3.874 -1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 123 14.982 5.225 -0.222 1.00 0.00 H new ATOM 1539 N ILE A 124 12.049 5.986 -1.220 1.00 0.00 N ATOM 1540 CA ILE A 124 11.470 7.259 -1.658 1.00 0.00 C ATOM 1541 C ILE A 124 10.342 7.633 -0.701 1.00 0.00 C ATOM 1542 O ILE A 124 10.353 8.743 -0.172 1.00 0.00 O ATOM 1543 CB ILE A 124 10.965 7.217 -3.122 1.00 0.00 C ATOM 1544 CG1 ILE A 124 12.085 6.862 -4.118 1.00 0.00 C ATOM 1545 CG2 ILE A 124 10.358 8.571 -3.546 1.00 0.00 C ATOM 1546 CD1 ILE A 124 11.537 6.330 -5.446 1.00 0.00 C ATOM 0 H ILE A 124 12.011 5.247 -1.922 1.00 0.00 H new ATOM 0 HA ILE A 124 12.252 8.018 -1.636 1.00 0.00 H new ATOM 0 HB ILE A 124 10.203 6.438 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 124 12.693 7.746 -4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 124 12.740 6.114 -3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 124 10.013 8.508 -4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 124 9.516 8.812 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.115 9.351 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 124 12.366 6.094 -6.113 1.00 0.00 H new ATOM 0 HD12 ILE A 124 10.951 5.429 -5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 124 10.903 7.087 -5.908 1.00 0.00 H new ATOM 1558 N VAL A 125 9.377 6.736 -0.485 1.00 0.00 N ATOM 1559 CA VAL A 125 8.227 7.000 0.372 1.00 0.00 C ATOM 1560 C VAL A 125 8.704 7.416 1.766 1.00 0.00 C ATOM 1561 O VAL A 125 8.241 8.429 2.294 1.00 0.00 O ATOM 1562 CB VAL A 125 7.292 5.774 0.401 1.00 0.00 C ATOM 1563 CG1 VAL A 125 6.086 6.001 1.325 1.00 0.00 C ATOM 1564 CG2 VAL A 125 6.778 5.444 -1.008 1.00 0.00 C ATOM 0 H VAL A 125 9.374 5.805 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 125 7.645 7.829 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 125 7.880 4.940 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.451 5.115 1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.436 6.189 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.514 6.860 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.121 4.576 -0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.225 6.297 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 125 7.623 5.225 -1.661 1.00 0.00 H new ATOM 1574 N ARG A 126 9.657 6.677 2.338 1.00 0.00 N ATOM 1575 CA ARG A 126 10.226 6.979 3.641 1.00 0.00 C ATOM 1576 C ARG A 126 10.900 8.343 3.635 1.00 0.00 C ATOM 1577 O ARG A 126 10.757 9.092 4.597 1.00 0.00 O ATOM 1578 CB ARG A 126 11.220 5.874 4.036 1.00 0.00 C ATOM 1579 CG ARG A 126 11.745 6.022 5.466 1.00 0.00 C ATOM 1580 CD ARG A 126 10.652 5.927 6.533 1.00 0.00 C ATOM 1581 NE ARG A 126 11.193 6.218 7.863 1.00 0.00 N ATOM 1582 CZ ARG A 126 10.594 5.964 9.026 1.00 0.00 C ATOM 1583 NH1 ARG A 126 9.412 5.369 9.102 1.00 0.00 N ATOM 1584 NH2 ARG A 126 11.216 6.326 10.136 1.00 0.00 N ATOM 0 H ARG A 126 10.055 5.846 1.901 1.00 0.00 H new ATOM 0 HA ARG A 126 9.425 7.013 4.380 1.00 0.00 H new ATOM 0 HB2 ARG A 126 10.735 4.903 3.932 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.061 5.886 3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.491 5.249 5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.251 6.983 5.561 1.00 0.00 H new ATOM 0 HD2 ARG A 126 9.850 6.628 6.301 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.215 4.928 6.524 1.00 0.00 H new ATOM 0 HE ARG A 126 12.114 6.656 7.902 1.00 0.00 H new ATOM 0 HH11 ARG A 126 8.927 5.088 8.250 1.00 0.00 H new ATOM 0 HH12 ARG A 126 8.987 5.193 10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.126 6.784 10.085 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.786 6.147 11.043 1.00 0.00 H new ATOM 1598 N GLU A 127 11.645 8.689 2.589 1.00 0.00 N ATOM 1599 CA GLU A 127 12.314 9.977 2.492 1.00 0.00 C ATOM 1600 C GLU A 127 11.266 11.084 2.519 1.00 0.00 C ATOM 1601 O GLU A 127 11.400 12.044 3.272 1.00 0.00 O ATOM 1602 CB GLU A 127 13.163 10.070 1.209 1.00 0.00 C ATOM 1603 CG GLU A 127 14.555 10.634 1.497 1.00 0.00 C ATOM 1604 CD GLU A 127 15.506 9.546 2.005 1.00 0.00 C ATOM 1605 OE1 GLU A 127 15.313 9.028 3.126 1.00 0.00 O ATOM 1606 OE2 GLU A 127 16.457 9.220 1.252 1.00 0.00 O ATOM 0 H GLU A 127 11.800 8.081 1.785 1.00 0.00 H new ATOM 0 HA GLU A 127 12.990 10.089 3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.256 9.081 0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 127 12.656 10.704 0.481 1.00 0.00 H new ATOM 0 HG2 GLU A 127 14.963 11.081 0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 127 14.480 11.429 2.239 1.00 0.00 H new ATOM 1613 N ARG A 128 10.204 10.951 1.721 1.00 0.00 N ATOM 1614 CA ARG A 128 9.133 11.937 1.677 1.00 0.00 C ATOM 1615 C ARG A 128 8.465 12.065 3.042 1.00 0.00 C ATOM 1616 O ARG A 128 8.209 13.185 3.472 1.00 0.00 O ATOM 1617 CB ARG A 128 8.099 11.561 0.611 1.00 0.00 C ATOM 1618 CG ARG A 128 8.632 11.508 -0.826 1.00 0.00 C ATOM 1619 CD ARG A 128 9.100 12.855 -1.374 1.00 0.00 C ATOM 1620 NE ARG A 128 9.636 12.669 -2.728 1.00 0.00 N ATOM 1621 CZ ARG A 128 10.915 12.588 -3.107 1.00 0.00 C ATOM 1622 NH1 ARG A 128 11.902 12.826 -2.245 1.00 0.00 N ATOM 1623 NH2 ARG A 128 11.207 12.276 -4.365 1.00 0.00 N ATOM 0 H ARG A 128 10.067 10.160 1.092 1.00 0.00 H new ATOM 0 HA ARG A 128 9.567 12.901 1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 128 7.680 10.587 0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 128 7.281 12.280 0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.463 10.804 -0.867 1.00 0.00 H new ATOM 0 HG3 ARG A 128 7.850 11.116 -1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 128 8.270 13.561 -1.393 1.00 0.00 H new ATOM 0 HD3 ARG A 128 9.864 13.279 -0.723 1.00 0.00 H new ATOM 0 HE ARG A 128 8.945 12.592 -3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 128 11.687 13.074 -1.279 1.00 0.00 H new ATOM 0 HH12 ARG A 128 12.873 12.760 -2.550 1.00 0.00 H new ATOM 0 HH21 ARG A 128 10.457 12.100 -5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.181 12.212 -4.662 1.00 0.00 H new ATOM 1637 N ALA A 129 8.206 10.956 3.732 1.00 0.00 N ATOM 1638 CA ALA A 129 7.623 10.988 5.063 1.00 0.00 C ATOM 1639 C ALA A 129 8.545 11.696 6.058 1.00 0.00 C ATOM 1640 O ALA A 129 8.075 12.507 6.852 1.00 0.00 O ATOM 1641 CB ALA A 129 7.310 9.567 5.514 1.00 0.00 C ATOM 0 H ALA A 129 8.395 10.017 3.383 1.00 0.00 H new ATOM 0 HA ALA A 129 6.696 11.560 5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.873 9.590 6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.604 9.112 4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.229 8.981 5.534 1.00 0.00 H new ATOM 1647 N VAL A 130 9.853 11.438 6.017 1.00 0.00 N ATOM 1648 CA VAL A 130 10.803 12.133 6.879 1.00 0.00 C ATOM 1649 C VAL A 130 10.875 13.624 6.521 1.00 0.00 C ATOM 1650 O VAL A 130 10.963 14.459 7.416 1.00 0.00 O ATOM 1651 CB VAL A 130 12.156 11.402 6.872 1.00 0.00 C ATOM 1652 CG1 VAL A 130 13.249 12.155 7.643 1.00 0.00 C ATOM 1653 CG2 VAL A 130 11.983 10.030 7.550 1.00 0.00 C ATOM 0 H VAL A 130 10.277 10.751 5.394 1.00 0.00 H new ATOM 0 HA VAL A 130 10.459 12.109 7.913 1.00 0.00 H new ATOM 0 HB VAL A 130 12.464 11.319 5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 130 14.179 11.589 7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.401 13.136 7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 130 12.944 12.275 8.682 1.00 0.00 H new ATOM 0 HG21 VAL A 130 12.936 9.502 7.551 1.00 0.00 H new ATOM 0 HG22 VAL A 130 11.645 10.172 8.577 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.244 9.444 7.003 1.00 0.00 H new ATOM 1663 N VAL A 131 10.734 14.008 5.253 1.00 0.00 N ATOM 1664 CA VAL A 131 10.578 15.419 4.896 1.00 0.00 C ATOM 1665 C VAL A 131 9.266 15.949 5.501 1.00 0.00 C ATOM 1666 O VAL A 131 9.232 17.082 5.982 1.00 0.00 O ATOM 1667 CB VAL A 131 10.648 15.607 3.364 1.00 0.00 C ATOM 1668 CG1 VAL A 131 10.340 17.050 2.933 1.00 0.00 C ATOM 1669 CG2 VAL A 131 12.035 15.254 2.804 1.00 0.00 C ATOM 0 H VAL A 131 10.724 13.367 4.460 1.00 0.00 H new ATOM 0 HA VAL A 131 11.399 16.003 5.312 1.00 0.00 H new ATOM 0 HB VAL A 131 9.892 14.931 2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 131 10.403 17.127 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 131 9.335 17.320 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 131 11.063 17.728 3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 131 12.039 15.400 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 131 12.786 15.898 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 131 12.264 14.213 3.030 1.00 0.00 H new ATOM 1679 N ARG A 132 8.183 15.166 5.496 1.00 0.00 N ATOM 1680 CA ARG A 132 6.900 15.550 6.081 1.00 0.00 C ATOM 1681 C ARG A 132 6.954 15.700 7.599 1.00 0.00 C ATOM 1682 O ARG A 132 6.126 16.432 8.141 1.00 0.00 O ATOM 1683 CB ARG A 132 5.795 14.585 5.608 1.00 0.00 C ATOM 1684 CG ARG A 132 4.371 15.132 5.831 1.00 0.00 C ATOM 1685 CD ARG A 132 3.512 14.308 6.793 1.00 0.00 C ATOM 1686 NE ARG A 132 4.127 14.204 8.121 1.00 0.00 N ATOM 1687 CZ ARG A 132 4.609 13.102 8.706 1.00 0.00 C ATOM 1688 NH1 ARG A 132 4.629 11.919 8.099 1.00 0.00 N ATOM 1689 NH2 ARG A 132 5.069 13.217 9.941 1.00 0.00 N ATOM 0 H ARG A 132 8.175 14.235 5.079 1.00 0.00 H new ATOM 0 HA ARG A 132 6.652 16.548 5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 132 5.934 14.376 4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 132 5.899 13.637 6.136 1.00 0.00 H new ATOM 0 HG2 ARG A 132 4.443 16.151 6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 132 3.863 15.187 4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 132 2.527 14.766 6.884 1.00 0.00 H new ATOM 0 HD3 ARG A 132 3.363 13.309 6.382 1.00 0.00 H new ATOM 0 HE ARG A 132 4.195 15.069 8.658 1.00 0.00 H new ATOM 0 HH11 ARG A 132 4.267 11.827 7.150 1.00 0.00 H new ATOM 0 HH12 ARG A 132 5.006 11.104 8.583 1.00 0.00 H new ATOM 0 HH21 ARG A 132 5.047 14.122 10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 132 5.445 12.401 10.423 1.00 0.00 H new ATOM 1703 N GLU A 133 7.880 15.047 8.301 1.00 0.00 N ATOM 1704 CA GLU A 133 8.105 15.359 9.711 1.00 0.00 C ATOM 1705 C GLU A 133 8.991 16.609 9.799 1.00 0.00 C ATOM 1706 O GLU A 133 8.656 17.546 10.525 1.00 0.00 O ATOM 1707 CB GLU A 133 8.585 14.157 10.553 1.00 0.00 C ATOM 1708 CG GLU A 133 10.077 13.808 10.479 1.00 0.00 C ATOM 1709 CD GLU A 133 10.499 12.800 11.541 1.00 0.00 C ATOM 1710 OE1 GLU A 133 10.812 13.250 12.670 1.00 0.00 O ATOM 1711 OE2 GLU A 133 10.553 11.582 11.260 1.00 0.00 O ATOM 0 H GLU A 133 8.477 14.311 7.924 1.00 0.00 H new ATOM 0 HA GLU A 133 7.150 15.590 10.182 1.00 0.00 H new ATOM 0 HB2 GLU A 133 8.334 14.352 11.596 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.016 13.279 10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.303 13.405 9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.665 14.719 10.594 1.00 0.00 H new ATOM 1718 N MET A 134 10.066 16.663 9.006 1.00 0.00 N ATOM 1719 CA MET A 134 11.044 17.748 8.939 1.00 0.00 C ATOM 1720 C MET A 134 10.514 18.919 8.102 1.00 0.00 C ATOM 1721 O MET A 134 11.191 19.421 7.201 1.00 0.00 O ATOM 1722 CB MET A 134 12.397 17.227 8.418 1.00 0.00 C ATOM 1723 CG MET A 134 13.019 16.176 9.345 1.00 0.00 C ATOM 1724 SD MET A 134 14.643 15.571 8.821 1.00 0.00 S ATOM 1725 CE MET A 134 14.974 14.437 10.198 1.00 0.00 C ATOM 0 H MET A 134 10.287 15.907 8.358 1.00 0.00 H new ATOM 0 HA MET A 134 11.208 18.129 9.947 1.00 0.00 H new ATOM 0 HB2 MET A 134 12.259 16.796 7.426 1.00 0.00 H new ATOM 0 HB3 MET A 134 13.087 18.064 8.308 1.00 0.00 H new ATOM 0 HG2 MET A 134 13.110 16.601 10.344 1.00 0.00 H new ATOM 0 HG3 MET A 134 12.338 15.329 9.420 1.00 0.00 H new ATOM 0 HE1 MET A 134 15.944 13.961 10.053 1.00 0.00 H new ATOM 0 HE2 MET A 134 14.980 14.994 11.135 1.00 0.00 H new ATOM 0 HE3 MET A 134 14.197 13.673 10.235 1.00 0.00 H new ATOM 1735 N ILE A 135 9.309 19.388 8.423 1.00 0.00 N ATOM 1736 CA ILE A 135 8.729 20.621 7.895 1.00 0.00 C ATOM 1737 C ILE A 135 9.627 21.839 8.165 1.00 0.00 C ATOM 1738 O ILE A 135 9.572 22.800 7.396 1.00 0.00 O ATOM 1739 CB ILE A 135 7.314 20.835 8.479 1.00 0.00 C ATOM 1740 CG1 ILE A 135 7.330 21.179 9.984 1.00 0.00 C ATOM 1741 CG2 ILE A 135 6.434 19.602 8.232 1.00 0.00 C ATOM 1742 CD1 ILE A 135 5.944 21.455 10.565 1.00 0.00 C ATOM 0 H ILE A 135 8.692 18.906 9.077 1.00 0.00 H new ATOM 0 HA ILE A 135 8.651 20.518 6.813 1.00 0.00 H new ATOM 0 HB ILE A 135 6.893 21.695 7.958 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.786 20.354 10.531 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.961 22.054 10.141 1.00 0.00 H new ATOM 0 HG21 ILE A 135 5.442 19.773 8.651 1.00 0.00 H new ATOM 0 HG22 ILE A 135 6.350 19.424 7.160 1.00 0.00 H new ATOM 0 HG23 ILE A 135 6.884 18.732 8.710 1.00 0.00 H new ATOM 0 HD11 ILE A 135 6.034 21.689 11.626 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.493 22.299 10.044 1.00 0.00 H new ATOM 0 HD13 ILE A 135 5.315 20.573 10.440 1.00 0.00 H new ATOM 1754 N SER A 136 10.432 21.773 9.235 1.00 0.00 N ATOM 1755 CA SER A 136 11.260 22.839 9.780 1.00 0.00 C ATOM 1756 C SER A 136 10.510 24.163 9.762 1.00 0.00 C ATOM 1757 O SER A 136 10.911 25.100 9.043 1.00 0.00 O ATOM 1758 CB SER A 136 12.613 22.844 9.070 1.00 0.00 C ATOM 1759 OG SER A 136 13.244 21.593 9.306 1.00 0.00 O ATOM 1760 OXT SER A 136 9.529 24.268 10.535 1.00 0.00 O ATOM 0 H SER A 136 10.522 20.911 9.773 1.00 0.00 H new ATOM 0 HA SER A 136 11.478 22.664 10.834 1.00 0.00 H new ATOM 0 HB2 SER A 136 12.480 23.007 8.000 1.00 0.00 H new ATOM 0 HB3 SER A 136 13.234 23.659 9.442 1.00 0.00 H new ATOM 0 HG SER A 136 14.115 21.576 8.856 1.00 0.00 H new TER 1766 SER A 136