USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 550 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 35 CYS SG :(H bumps) USER MOD Set 1.1: A 47 HIS : no HD1:sc= -3.33! C(o=-3.2!,f=-6.2!) USER MOD Set 1.2: A 201 HEC O2D : rot -90:sc= 0.0957! USER MOD Single : A 33 THR OG1 : rot 32:sc= 0.877 USER MOD Single : A 34 HIS : no HD1:sc= -0.565 X(o=-0.57,f=-0.09) USER MOD Single : A 41 GLN : amide:sc=-0.00708 X(o=-0.0071,f=0) USER MOD Single : A 44 ASN : amide:sc= -7.49! C(o=-7.5!,f=-13!) USER MOD Single : A 45 THR OG1 : rot 150:sc= -0.0462 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0826 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0685 F(o=-1.8!,f=-0.069) USER MOD Single : A 64 THR OG1 : rot 158:sc= -1.09 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.039 F(o=-0.77,f=-0.039) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -138:sc= -0.072 (180deg=-0.542) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 62:sc= 0.127 USER MOD Single : A 201 HEC O2A : rot 180:sc= -4.14! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -10.429 -8.191 -7.380 1.00 1.00 N ATOM 2 CA ALA A 25 -11.111 -9.003 -6.387 1.00 1.00 C ATOM 3 C ALA A 25 -10.087 -9.874 -5.656 1.00 1.00 C ATOM 4 O ALA A 25 -9.172 -10.415 -6.276 1.00 1.00 O ATOM 5 CB ALA A 25 -12.202 -9.833 -7.067 1.00 1.00 C ATOM 0 HA ALA A 25 -11.598 -8.371 -5.644 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -12.713 -10.442 -6.322 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -12.920 -9.167 -7.546 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -11.751 -10.482 -7.818 1.00 1.00 H new ATOM 11 N GLY A 26 -10.275 -9.982 -4.349 1.00 1.00 N ATOM 12 CA GLY A 26 -9.378 -10.778 -3.528 1.00 1.00 C ATOM 13 C GLY A 26 -8.330 -9.896 -2.847 1.00 1.00 C ATOM 14 O GLY A 26 -8.317 -9.773 -1.623 1.00 1.00 O ATOM 0 H GLY A 26 -11.035 -9.532 -3.838 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -9.951 -11.316 -2.773 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -8.882 -11.527 -4.146 1.00 1.00 H new ATOM 18 N GLY A 27 -7.476 -9.305 -3.670 1.00 1.00 N ATOM 19 CA GLY A 27 -6.426 -8.438 -3.163 1.00 1.00 C ATOM 20 C GLY A 27 -7.011 -7.312 -2.308 1.00 1.00 C ATOM 21 O GLY A 27 -6.351 -6.812 -1.398 1.00 1.00 O ATOM 0 H GLY A 27 -7.490 -9.410 -4.685 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -5.722 -9.022 -2.570 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -5.866 -8.014 -3.996 1.00 1.00 H new ATOM 25 N GLY A 28 -8.242 -6.945 -2.631 1.00 1.00 N ATOM 26 CA GLY A 28 -8.923 -5.887 -1.904 1.00 1.00 C ATOM 27 C GLY A 28 -9.336 -6.358 -0.508 1.00 1.00 C ATOM 28 O GLY A 28 -9.118 -5.656 0.478 1.00 1.00 O ATOM 0 H GLY A 28 -8.786 -7.361 -3.387 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.269 -5.019 -1.820 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -9.805 -5.569 -2.460 1.00 1.00 H new ATOM 32 N GLU A 29 -9.924 -7.545 -0.469 1.00 1.00 N ATOM 33 CA GLU A 29 -10.369 -8.119 0.789 1.00 1.00 C ATOM 34 C GLU A 29 -9.222 -8.133 1.801 1.00 1.00 C ATOM 35 O GLU A 29 -9.453 -8.218 3.007 1.00 1.00 O ATOM 36 CB GLU A 29 -10.934 -9.525 0.581 1.00 1.00 C ATOM 37 CG GLU A 29 -11.525 -10.076 1.880 1.00 1.00 C ATOM 38 CD GLU A 29 -12.059 -11.496 1.681 1.00 1.00 C ATOM 39 OE1 GLU A 29 -11.302 -12.392 1.278 1.00 1.00 O ATOM 40 OE2 GLU A 29 -13.308 -11.653 1.961 1.00 1.00 O ATOM 0 H GLU A 29 -10.102 -8.125 -1.289 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.171 -7.497 1.186 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.703 -9.501 -0.191 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -10.146 -10.189 0.226 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -10.763 -10.076 2.659 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -12.330 -9.426 2.222 1.00 1.00 H new ATOM 48 N LEU A 30 -8.009 -8.049 1.274 1.00 1.00 N ATOM 49 CA LEU A 30 -6.825 -8.051 2.117 1.00 1.00 C ATOM 50 C LEU A 30 -6.499 -6.616 2.534 1.00 1.00 C ATOM 51 O LEU A 30 -6.153 -6.364 3.687 1.00 1.00 O ATOM 52 CB LEU A 30 -5.669 -8.766 1.414 1.00 1.00 C ATOM 53 CG LEU A 30 -5.948 -10.197 0.951 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.661 -10.884 0.490 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.666 -10.996 2.040 1.00 1.00 C ATOM 0 H LEU A 30 -7.821 -7.979 0.274 1.00 1.00 H new ATOM 0 HA LEU A 30 -7.009 -8.615 3.032 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.376 -8.175 0.546 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.814 -8.784 2.090 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.616 -10.154 0.091 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.887 -11.900 0.166 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.228 -10.326 -0.340 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.950 -10.916 1.315 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.852 -12.010 1.685 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -6.044 -11.033 2.934 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.615 -10.515 2.278 1.00 1.00 H new ATOM 67 N PHE A 31 -6.619 -5.712 1.572 1.00 1.00 N ATOM 68 CA PHE A 31 -6.341 -4.309 1.825 1.00 1.00 C ATOM 69 C PHE A 31 -7.407 -3.694 2.734 1.00 1.00 C ATOM 70 O PHE A 31 -7.145 -2.713 3.429 1.00 1.00 O ATOM 71 CB PHE A 31 -6.369 -3.596 0.472 1.00 1.00 C ATOM 72 CG PHE A 31 -6.377 -2.069 0.572 1.00 1.00 C ATOM 73 CD1 PHE A 31 -5.283 -1.357 0.189 1.00 1.00 C ATOM 74 CD2 PHE A 31 -7.477 -1.424 1.045 1.00 1.00 C ATOM 75 CE1 PHE A 31 -5.290 0.060 0.283 1.00 1.00 C ATOM 76 CE2 PHE A 31 -7.484 -0.007 1.138 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.390 0.705 0.755 1.00 1.00 C ATOM 0 H PHE A 31 -6.905 -5.925 0.616 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.375 -4.205 2.320 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.501 -3.907 -0.109 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.253 -3.918 -0.079 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -4.409 -1.869 -0.186 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -8.345 -1.989 1.350 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -4.421 0.625 -0.021 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -8.358 0.505 1.513 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.395 1.783 0.826 1.00 1.00 H new ATOM 87 N ALA A 32 -8.587 -4.295 2.700 1.00 1.00 N ATOM 88 CA ALA A 32 -9.694 -3.819 3.512 1.00 1.00 C ATOM 89 C ALA A 32 -9.689 -4.553 4.854 1.00 1.00 C ATOM 90 O ALA A 32 -10.733 -5.008 5.320 1.00 1.00 O ATOM 91 CB ALA A 32 -11.006 -4.008 2.748 1.00 1.00 C ATOM 0 H ALA A 32 -8.801 -5.108 2.122 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.588 -2.754 3.719 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.836 -3.651 3.357 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -10.970 -3.443 1.817 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.148 -5.065 2.525 1.00 1.00 H new ATOM 97 N THR A 33 -8.503 -4.646 5.437 1.00 1.00 N ATOM 98 CA THR A 33 -8.349 -5.317 6.716 1.00 1.00 C ATOM 99 C THR A 33 -6.953 -5.062 7.288 1.00 1.00 C ATOM 100 O THR A 33 -6.799 -4.852 8.490 1.00 1.00 O ATOM 101 CB THR A 33 -8.660 -6.801 6.512 1.00 1.00 C ATOM 102 OG1 THR A 33 -10.075 -6.883 6.658 1.00 1.00 O ATOM 103 CG2 THR A 33 -8.118 -7.674 7.646 1.00 1.00 C ATOM 0 H THR A 33 -7.640 -4.268 5.047 1.00 1.00 H new ATOM 0 HA THR A 33 -9.046 -4.923 7.456 1.00 1.00 H new ATOM 0 HB THR A 33 -8.237 -7.133 5.564 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.486 -6.054 6.334 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.366 -8.718 7.452 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.035 -7.563 7.705 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.566 -7.364 8.590 1.00 1.00 H new ATOM 111 N HIS A 34 -5.971 -5.088 6.399 1.00 1.00 N ATOM 112 CA HIS A 34 -4.592 -4.862 6.799 1.00 1.00 C ATOM 113 C HIS A 34 -4.171 -3.443 6.412 1.00 1.00 C ATOM 114 O HIS A 34 -3.075 -3.003 6.752 1.00 1.00 O ATOM 115 CB HIS A 34 -3.673 -5.935 6.212 1.00 1.00 C ATOM 116 CG HIS A 34 -4.112 -7.349 6.507 1.00 1.00 C ATOM 117 ND1 HIS A 34 -3.859 -7.976 7.715 1.00 1.00 N ATOM 118 CD2 HIS A 34 -4.790 -8.250 5.740 1.00 1.00 C ATOM 119 CE1 HIS A 34 -4.365 -9.199 7.666 1.00 1.00 C ATOM 120 NE2 HIS A 34 -4.941 -9.368 6.441 1.00 1.00 N ATOM 0 H HIS A 34 -6.103 -5.262 5.403 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.505 -4.946 7.882 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.618 -5.800 5.132 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.666 -5.789 6.603 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -5.144 -8.083 4.733 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -4.328 -9.933 8.457 1.00 1.00 H new ATOM 0 HE2 HIS A 34 -5.410 -10.214 6.117 1.00 1.00 H new ATOM 128 N CYS A 35 -5.065 -2.767 5.706 1.00 1.00 N ATOM 129 CA CYS A 35 -4.800 -1.407 5.268 1.00 1.00 C ATOM 130 C CYS A 35 -6.002 -0.538 5.647 1.00 1.00 C ATOM 131 O CYS A 35 -5.837 0.550 6.195 1.00 1.00 O ATOM 132 CB CYS A 35 -4.499 -1.344 3.769 1.00 1.00 C ATOM 133 SG CYS A 35 -3.494 -2.732 3.129 1.00 1.00 S ATOM 0 H CYS A 35 -5.974 -3.136 5.426 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.908 -1.028 5.766 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.443 -1.316 3.224 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.980 -0.410 3.556 1.00 1.00 H new ATOM 138 N ALA A 36 -7.183 -1.052 5.338 1.00 1.00 N ATOM 139 CA ALA A 36 -8.412 -0.336 5.639 1.00 1.00 C ATOM 140 C ALA A 36 -8.275 0.354 6.997 1.00 1.00 C ATOM 141 O ALA A 36 -8.792 1.453 7.194 1.00 1.00 O ATOM 142 CB ALA A 36 -9.593 -1.308 5.595 1.00 1.00 C ATOM 0 H ALA A 36 -7.316 -1.955 4.883 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.598 0.437 4.894 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.515 -0.771 5.821 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.664 -1.749 4.601 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.443 -2.097 6.332 1.00 1.00 H new ATOM 148 N GLY A 37 -7.576 -0.319 7.900 1.00 1.00 N ATOM 149 CA GLY A 37 -7.365 0.216 9.234 1.00 1.00 C ATOM 150 C GLY A 37 -6.210 1.219 9.246 1.00 1.00 C ATOM 151 O GLY A 37 -5.332 1.149 10.106 1.00 1.00 O ATOM 0 H GLY A 37 -7.149 -1.230 7.733 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.276 0.701 9.583 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -7.152 -0.598 9.927 1.00 1.00 H new ATOM 155 N CYS A 38 -6.246 2.127 8.283 1.00 1.00 N ATOM 156 CA CYS A 38 -5.213 3.142 8.172 1.00 1.00 C ATOM 157 C CYS A 38 -5.370 3.842 6.821 1.00 1.00 C ATOM 158 O CYS A 38 -5.066 5.027 6.692 1.00 1.00 O ATOM 159 CB CYS A 38 -3.814 2.547 8.347 1.00 1.00 C ATOM 160 SG CYS A 38 -3.115 3.056 9.960 1.00 1.00 S ATOM 0 H CYS A 38 -6.975 2.181 7.572 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.329 3.871 8.974 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.862 1.460 8.289 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -3.164 2.881 7.538 1.00 1.00 H new ATOM 165 N HIS A 39 -5.845 3.080 5.847 1.00 1.00 N ATOM 166 CA HIS A 39 -6.047 3.612 4.510 1.00 1.00 C ATOM 167 C HIS A 39 -7.534 3.561 4.156 1.00 1.00 C ATOM 168 O HIS A 39 -7.957 2.904 3.207 1.00 1.00 O ATOM 169 CB HIS A 39 -5.170 2.876 3.494 1.00 1.00 C ATOM 170 CG HIS A 39 -3.707 3.246 3.564 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.238 4.510 3.252 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.616 2.506 3.915 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.922 4.518 3.409 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.539 3.275 3.820 1.00 1.00 N ATOM 0 H HIS A 39 -6.096 2.098 5.957 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.738 4.657 4.480 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.271 1.802 3.653 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.540 3.086 2.490 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.808 5.301 2.952 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.627 1.470 4.219 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.268 5.361 3.241 1.00 1.00 H new ATOM 182 N PRO A 40 -8.328 4.280 4.952 1.00 1.00 N ATOM 183 CA PRO A 40 -9.764 4.377 4.800 1.00 1.00 C ATOM 184 C PRO A 40 -10.093 5.254 3.600 1.00 1.00 C ATOM 185 O PRO A 40 -9.801 6.448 3.640 1.00 1.00 O ATOM 186 CB PRO A 40 -10.253 5.017 6.097 1.00 1.00 C ATOM 187 CG PRO A 40 -9.030 5.990 6.418 1.00 1.00 C ATOM 188 CD PRO A 40 -7.865 5.064 6.076 1.00 1.00 C ATOM 0 HA PRO A 40 -10.238 3.411 4.627 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -11.190 5.558 5.965 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.417 4.283 6.886 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -9.041 6.891 5.805 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -9.015 6.313 7.459 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.971 5.632 5.819 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.606 4.427 6.922 1.00 1.00 H new ATOM 196 N GLN A 41 -10.682 4.660 2.573 1.00 1.00 N ATOM 197 CA GLN A 41 -11.036 5.407 1.378 1.00 1.00 C ATOM 198 C GLN A 41 -9.804 6.113 0.809 1.00 1.00 C ATOM 199 O GLN A 41 -9.793 7.335 0.671 1.00 1.00 O ATOM 200 CB GLN A 41 -12.156 6.408 1.670 1.00 1.00 C ATOM 201 CG GLN A 41 -13.505 5.881 1.175 1.00 1.00 C ATOM 202 CD GLN A 41 -14.420 7.031 0.751 1.00 1.00 C ATOM 203 OE1 GLN A 41 -14.671 7.966 1.494 1.00 1.00 O ATOM 204 NE2 GLN A 41 -14.904 6.910 -0.482 1.00 1.00 N ATOM 0 H GLN A 41 -10.923 3.669 2.544 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.406 4.705 0.630 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.207 6.599 2.742 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -11.934 7.359 1.187 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -13.349 5.206 0.333 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -13.985 5.302 1.964 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -14.654 6.101 -1.051 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -15.526 7.626 -0.858 1.00 1.00 H new ATOM 213 N GLY A 42 -8.796 5.313 0.494 1.00 1.00 N ATOM 214 CA GLY A 42 -7.561 5.846 -0.057 1.00 1.00 C ATOM 215 C GLY A 42 -7.125 7.106 0.694 1.00 1.00 C ATOM 216 O GLY A 42 -6.496 7.991 0.115 1.00 1.00 O ATOM 0 H GLY A 42 -8.809 4.300 0.610 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.776 5.092 0.004 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.700 6.077 -1.113 1.00 1.00 H new ATOM 220 N GLY A 43 -7.477 7.147 1.970 1.00 1.00 N ATOM 221 CA GLY A 43 -7.129 8.284 2.806 1.00 1.00 C ATOM 222 C GLY A 43 -5.979 7.937 3.753 1.00 1.00 C ATOM 223 O GLY A 43 -5.151 7.083 3.443 1.00 1.00 O ATOM 0 H GLY A 43 -8.000 6.412 2.446 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.845 9.128 2.178 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -7.999 8.595 3.384 1.00 1.00 H new ATOM 227 N ASN A 44 -5.966 8.618 4.890 1.00 1.00 N ATOM 228 CA ASN A 44 -4.931 8.392 5.885 1.00 1.00 C ATOM 229 C ASN A 44 -5.441 8.842 7.256 1.00 1.00 C ATOM 230 O ASN A 44 -6.174 9.824 7.358 1.00 1.00 O ATOM 231 CB ASN A 44 -3.671 9.197 5.562 1.00 1.00 C ATOM 232 CG ASN A 44 -3.024 8.706 4.266 1.00 1.00 C ATOM 233 OD1 ASN A 44 -3.556 8.858 3.179 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.848 8.109 4.441 1.00 1.00 N ATOM 0 H ASN A 44 -6.655 9.326 5.144 1.00 1.00 H new ATOM 0 HA ASN A 44 -4.690 7.329 5.885 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.924 10.253 5.469 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -2.960 9.111 6.383 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -1.336 7.746 3.637 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.459 8.014 5.379 1.00 1.00 H new ATOM 241 N THR A 45 -5.033 8.101 8.276 1.00 1.00 N ATOM 242 CA THR A 45 -5.440 8.411 9.636 1.00 1.00 C ATOM 243 C THR A 45 -4.234 8.860 10.464 1.00 1.00 C ATOM 244 O THR A 45 -4.382 9.256 11.619 1.00 1.00 O ATOM 245 CB THR A 45 -6.147 7.182 10.210 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.204 6.127 10.039 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.347 6.749 9.366 1.00 1.00 C ATOM 0 H THR A 45 -4.425 7.287 8.188 1.00 1.00 H new ATOM 0 HA THR A 45 -6.140 9.246 9.659 1.00 1.00 H new ATOM 0 HB THR A 45 -6.477 7.395 11.227 1.00 1.00 H new ATOM 0 HG1 THR A 45 -5.323 5.464 10.751 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.812 5.873 9.818 1.00 1.00 H new ATOM 0 HG22 THR A 45 -8.072 7.562 9.320 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.013 6.503 8.358 1.00 1.00 H new ATOM 255 N VAL A 46 -3.067 8.785 9.840 1.00 1.00 N ATOM 256 CA VAL A 46 -1.837 9.179 10.504 1.00 1.00 C ATOM 257 C VAL A 46 -1.298 10.456 9.856 1.00 1.00 C ATOM 258 O VAL A 46 -1.102 11.464 10.533 1.00 1.00 O ATOM 259 CB VAL A 46 -0.833 8.024 10.474 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.503 8.442 11.093 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.398 6.787 11.175 1.00 1.00 C ATOM 0 H VAL A 46 -2.948 8.457 8.882 1.00 1.00 H new ATOM 0 HA VAL A 46 -2.025 9.402 11.554 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.653 7.765 9.431 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.198 7.603 11.059 1.00 1.00 H new ATOM 0 HG12 VAL A 46 0.918 9.280 10.532 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.346 8.741 12.129 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.664 5.982 11.139 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.622 7.028 12.214 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.311 6.469 10.672 1.00 1.00 H new ATOM 271 N HIS A 47 -1.075 10.371 8.553 1.00 1.00 N ATOM 272 CA HIS A 47 -0.563 11.508 7.806 1.00 1.00 C ATOM 273 C HIS A 47 -1.600 11.951 6.773 1.00 1.00 C ATOM 274 O HIS A 47 -1.945 11.227 5.842 1.00 1.00 O ATOM 275 CB HIS A 47 0.794 11.180 7.181 1.00 1.00 C ATOM 276 CG HIS A 47 1.908 11.010 8.187 1.00 1.00 C ATOM 277 ND1 HIS A 47 3.208 10.708 7.821 1.00 1.00 N ATOM 278 CD2 HIS A 47 1.903 11.104 9.547 1.00 1.00 C ATOM 279 CE1 HIS A 47 3.943 10.625 8.920 1.00 1.00 C ATOM 280 NE2 HIS A 47 3.132 10.870 9.989 1.00 1.00 N ATOM 0 H HIS A 47 -1.239 9.533 7.995 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.393 12.346 8.482 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.702 10.264 6.598 1.00 1.00 H new ATOM 0 HB3 HIS A 47 1.064 11.975 6.486 1.00 1.00 H new ATOM 0 HD2 HIS A 47 1.044 11.331 10.161 1.00 1.00 H new ATOM 0 HE1 HIS A 47 4.999 10.402 8.962 1.00 1.00 H new ATOM 0 HE2 HIS A 47 3.422 10.873 10.967 1.00 1.00 H new ATOM 288 N PRO A 48 -2.096 13.177 6.960 1.00 1.00 N ATOM 289 CA PRO A 48 -3.084 13.797 6.105 1.00 1.00 C ATOM 290 C PRO A 48 -2.388 14.517 4.959 1.00 1.00 C ATOM 291 O PRO A 48 -3.032 15.315 4.280 1.00 1.00 O ATOM 292 CB PRO A 48 -3.818 14.786 7.008 1.00 1.00 C ATOM 293 CG PRO A 48 -2.624 15.272 7.906 1.00 1.00 C ATOM 294 CD PRO A 48 -1.712 14.055 8.044 1.00 1.00 C ATOM 0 HA PRO A 48 -3.770 13.077 5.658 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.277 15.601 6.448 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.610 14.312 7.588 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -2.099 16.109 7.445 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -2.976 15.614 8.879 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.662 14.338 7.970 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -1.844 13.570 9.011 1.00 1.00 H new ATOM 302 N GLU A 49 -1.109 14.229 4.767 1.00 1.00 N ATOM 303 CA GLU A 49 -0.352 14.862 3.701 1.00 1.00 C ATOM 304 C GLU A 49 0.231 13.803 2.762 1.00 1.00 C ATOM 305 O GLU A 49 0.847 14.136 1.751 1.00 1.00 O ATOM 306 CB GLU A 49 0.751 15.757 4.268 1.00 1.00 C ATOM 307 CG GLU A 49 0.219 16.627 5.410 1.00 1.00 C ATOM 308 CD GLU A 49 -0.026 18.061 4.938 1.00 1.00 C ATOM 309 OE1 GLU A 49 0.620 18.996 5.435 1.00 1.00 O ATOM 310 OE2 GLU A 49 -0.923 18.188 4.020 1.00 1.00 O ATOM 0 H GLU A 49 -0.578 13.566 5.332 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.030 15.495 3.128 1.00 1.00 H new ATOM 0 HB2 GLU A 49 1.575 15.141 4.629 1.00 1.00 H new ATOM 0 HB3 GLU A 49 1.151 16.393 3.478 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -0.709 16.203 5.793 1.00 1.00 H new ATOM 0 HG3 GLU A 49 0.933 16.628 6.234 1.00 1.00 H new ATOM 318 N LYS A 50 0.014 12.549 3.130 1.00 1.00 N ATOM 319 CA LYS A 50 0.510 11.439 2.333 1.00 1.00 C ATOM 320 C LYS A 50 -0.655 10.516 1.972 1.00 1.00 C ATOM 321 O LYS A 50 -0.939 9.558 2.690 1.00 1.00 O ATOM 322 CB LYS A 50 1.655 10.729 3.058 1.00 1.00 C ATOM 323 CG LYS A 50 2.648 11.740 3.637 1.00 1.00 C ATOM 324 CD LYS A 50 3.647 12.198 2.573 1.00 1.00 C ATOM 325 CE LYS A 50 4.024 13.668 2.772 1.00 1.00 C ATOM 326 NZ LYS A 50 5.470 13.870 2.526 1.00 1.00 N ATOM 0 H LYS A 50 -0.498 12.277 3.969 1.00 1.00 H new ATOM 0 HA LYS A 50 0.933 11.801 1.396 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.254 10.108 3.859 1.00 1.00 H new ATOM 0 HB3 LYS A 50 2.170 10.063 2.366 1.00 1.00 H new ATOM 0 HG2 LYS A 50 2.108 12.602 4.029 1.00 1.00 H new ATOM 0 HG3 LYS A 50 3.183 11.291 4.474 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.543 11.579 2.620 1.00 1.00 H new ATOM 0 HD3 LYS A 50 3.216 12.060 1.581 1.00 1.00 H new ATOM 0 HE2 LYS A 50 3.443 14.294 2.094 1.00 1.00 H new ATOM 0 HE3 LYS A 50 3.775 13.980 3.786 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 5.709 14.873 2.665 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 6.020 13.288 3.189 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 5.698 13.592 1.550 1.00 1.00 H new ATOM 339 N THR A 51 -1.300 10.836 0.860 1.00 1.00 N ATOM 340 CA THR A 51 -2.428 10.047 0.395 1.00 1.00 C ATOM 341 C THR A 51 -1.988 9.090 -0.715 1.00 1.00 C ATOM 342 O THR A 51 -0.816 9.062 -1.087 1.00 1.00 O ATOM 343 CB THR A 51 -3.533 11.013 -0.038 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.039 11.587 -1.245 1.00 1.00 O ATOM 345 CG2 THR A 51 -3.675 12.204 0.911 1.00 1.00 C ATOM 0 H THR A 51 -1.063 11.631 0.267 1.00 1.00 H new ATOM 0 HA THR A 51 -2.822 9.413 1.189 1.00 1.00 H new ATOM 0 HB THR A 51 -4.481 10.478 -0.093 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.695 12.225 -1.596 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.472 12.858 0.558 1.00 1.00 H new ATOM 0 HG22 THR A 51 -3.916 11.845 1.912 1.00 1.00 H new ATOM 0 HG23 THR A 51 -2.737 12.759 0.941 1.00 1.00 H new ATOM 353 N LEU A 52 -2.952 8.330 -1.213 1.00 1.00 N ATOM 354 CA LEU A 52 -2.678 7.374 -2.273 1.00 1.00 C ATOM 355 C LEU A 52 -2.865 8.056 -3.629 1.00 1.00 C ATOM 356 O LEU A 52 -2.980 7.386 -4.654 1.00 1.00 O ATOM 357 CB LEU A 52 -3.533 6.117 -2.094 1.00 1.00 C ATOM 358 CG LEU A 52 -3.266 5.299 -0.828 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.185 4.078 -0.761 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.789 4.912 -0.726 1.00 1.00 C ATOM 0 H LEU A 52 -3.923 8.356 -0.903 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.642 7.037 -2.225 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.582 6.412 -2.098 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.380 5.471 -2.959 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.495 5.922 0.036 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -3.975 3.514 0.148 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.225 4.405 -0.753 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -4.011 3.444 -1.630 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.627 4.332 0.182 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.509 4.314 -1.593 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.178 5.814 -0.694 1.00 1.00 H new ATOM 372 N ALA A 53 -2.889 9.380 -3.592 1.00 1.00 N ATOM 373 CA ALA A 53 -3.060 10.160 -4.806 1.00 1.00 C ATOM 374 C ALA A 53 -1.798 10.043 -5.663 1.00 1.00 C ATOM 375 O ALA A 53 -0.690 10.262 -5.177 1.00 1.00 O ATOM 376 CB ALA A 53 -3.383 11.610 -4.439 1.00 1.00 C ATOM 0 H ALA A 53 -2.793 9.933 -2.740 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.895 9.778 -5.394 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.511 12.196 -5.349 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.303 11.641 -3.855 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.565 12.027 -3.851 1.00 1.00 H new ATOM 382 N ARG A 54 -2.009 9.698 -6.925 1.00 1.00 N ATOM 383 CA ARG A 54 -0.903 9.550 -7.855 1.00 1.00 C ATOM 384 C ARG A 54 0.003 10.782 -7.805 1.00 1.00 C ATOM 385 O ARG A 54 1.219 10.658 -7.674 1.00 1.00 O ATOM 386 CB ARG A 54 -1.409 9.355 -9.286 1.00 1.00 C ATOM 387 CG ARG A 54 -0.248 9.083 -10.246 1.00 1.00 C ATOM 388 CD ARG A 54 -0.505 9.723 -11.611 1.00 1.00 C ATOM 389 NE ARG A 54 -0.652 8.672 -12.643 1.00 1.00 N ATOM 390 CZ ARG A 54 -1.350 8.828 -13.788 1.00 1.00 C ATOM 391 NH1 ARG A 54 -1.416 7.822 -14.640 1.00 1.00 N ATOM 392 NH2 ARG A 54 -1.972 9.996 -14.058 1.00 1.00 N ATOM 0 H ARG A 54 -2.930 9.517 -7.325 1.00 1.00 H new ATOM 0 HA ARG A 54 -0.337 8.667 -7.558 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -2.113 8.524 -9.316 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.951 10.244 -9.608 1.00 1.00 H new ATOM 0 HG2 ARG A 54 0.677 9.476 -9.824 1.00 1.00 H new ATOM 0 HG3 ARG A 54 -0.113 8.008 -10.364 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -1.407 10.334 -11.571 1.00 1.00 H new ATOM 0 HD3 ARG A 54 0.319 10.387 -11.871 1.00 1.00 H new ATOM 0 HE ARG A 54 -0.197 7.774 -12.479 1.00 1.00 H new ATOM 0 HH11 ARG A 54 -0.944 6.943 -14.429 1.00 1.00 H new ATOM 0 HH12 ARG A 54 -1.939 7.924 -15.510 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -1.916 10.769 -13.394 1.00 1.00 H new ATOM 0 HH22 ARG A 54 -2.497 10.105 -14.925 1.00 1.00 H new ATOM 402 N ALA A 55 -0.626 11.943 -7.911 1.00 1.00 N ATOM 403 CA ALA A 55 0.108 13.197 -7.879 1.00 1.00 C ATOM 404 C ALA A 55 1.216 13.108 -6.827 1.00 1.00 C ATOM 405 O ALA A 55 2.303 13.650 -7.019 1.00 1.00 O ATOM 406 CB ALA A 55 -0.862 14.349 -7.608 1.00 1.00 C ATOM 0 H ALA A 55 -1.635 12.042 -8.019 1.00 1.00 H new ATOM 0 HA ALA A 55 0.582 13.389 -8.842 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.312 15.290 -7.584 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.612 14.387 -8.398 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.354 14.192 -6.648 1.00 1.00 H new ATOM 412 N ARG A 56 0.901 12.420 -5.740 1.00 1.00 N ATOM 413 CA ARG A 56 1.857 12.252 -4.658 1.00 1.00 C ATOM 414 C ARG A 56 2.693 10.990 -4.879 1.00 1.00 C ATOM 415 O ARG A 56 3.921 11.039 -4.831 1.00 1.00 O ATOM 416 CB ARG A 56 1.147 12.155 -3.306 1.00 1.00 C ATOM 417 CG ARG A 56 1.516 13.337 -2.407 1.00 1.00 C ATOM 418 CD ARG A 56 2.999 13.297 -2.031 1.00 1.00 C ATOM 419 NE ARG A 56 3.386 14.561 -1.366 1.00 1.00 N ATOM 420 CZ ARG A 56 3.433 15.760 -1.987 1.00 1.00 C ATOM 421 NH1 ARG A 56 3.793 16.825 -1.295 1.00 1.00 N ATOM 422 NH2 ARG A 56 3.116 15.867 -3.295 1.00 1.00 N ATOM 0 H ARG A 56 -0.002 11.972 -5.585 1.00 1.00 H new ATOM 0 HA ARG A 56 2.508 13.126 -4.652 1.00 1.00 H new ATOM 0 HB2 ARG A 56 0.068 12.133 -3.459 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.419 11.221 -2.815 1.00 1.00 H new ATOM 0 HG2 ARG A 56 1.292 14.272 -2.920 1.00 1.00 H new ATOM 0 HG3 ARG A 56 0.907 13.315 -1.503 1.00 1.00 H new ATOM 0 HD2 ARG A 56 3.192 12.454 -1.368 1.00 1.00 H new ATOM 0 HD3 ARG A 56 3.605 13.146 -2.924 1.00 1.00 H new ATOM 0 HE ARG A 56 3.633 14.525 -0.377 1.00 1.00 H new ATOM 0 HH11 ARG A 56 4.030 16.735 -0.307 1.00 1.00 H new ATOM 0 HH12 ARG A 56 3.834 17.738 -1.748 1.00 1.00 H new ATOM 0 HH21 ARG A 56 2.838 15.039 -3.822 1.00 1.00 H new ATOM 0 HH22 ARG A 56 3.154 16.776 -3.756 1.00 1.00 H new ATOM 432 N ARG A 57 1.995 9.890 -5.116 1.00 1.00 N ATOM 433 CA ARG A 57 2.658 8.617 -5.345 1.00 1.00 C ATOM 434 C ARG A 57 3.670 8.743 -6.485 1.00 1.00 C ATOM 435 O ARG A 57 4.563 7.908 -6.622 1.00 1.00 O ATOM 436 CB ARG A 57 1.645 7.523 -5.689 1.00 1.00 C ATOM 437 CG ARG A 57 1.515 6.517 -4.543 1.00 1.00 C ATOM 438 CD ARG A 57 1.263 5.106 -5.079 1.00 1.00 C ATOM 439 NE ARG A 57 -0.022 4.589 -4.559 1.00 1.00 N ATOM 440 CZ ARG A 57 -1.217 4.796 -5.153 1.00 1.00 C ATOM 441 NH1 ARG A 57 -2.303 4.287 -4.601 1.00 1.00 N ATOM 442 NH2 ARG A 57 -1.299 5.511 -6.295 1.00 1.00 N ATOM 0 H ARG A 57 0.976 9.853 -5.155 1.00 1.00 H new ATOM 0 HA ARG A 57 3.175 8.342 -4.426 1.00 1.00 H new ATOM 0 HB2 ARG A 57 0.674 7.973 -5.895 1.00 1.00 H new ATOM 0 HB3 ARG A 57 1.956 7.007 -6.597 1.00 1.00 H new ATOM 0 HG2 ARG A 57 2.425 6.525 -3.942 1.00 1.00 H new ATOM 0 HG3 ARG A 57 0.697 6.812 -3.886 1.00 1.00 H new ATOM 0 HD2 ARG A 57 1.244 5.120 -6.169 1.00 1.00 H new ATOM 0 HD3 ARG A 57 2.077 4.445 -4.783 1.00 1.00 H new ATOM 0 HE ARG A 57 -0.004 4.042 -3.698 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -2.232 3.747 -3.739 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -3.213 4.434 -5.037 1.00 1.00 H new ATOM 0 HH21 ARG A 57 -0.455 5.899 -6.715 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -2.205 5.663 -6.738 1.00 1.00 H new ATOM 452 N GLU A 58 3.496 9.793 -7.275 1.00 1.00 N ATOM 453 CA GLU A 58 4.383 10.039 -8.399 1.00 1.00 C ATOM 454 C GLU A 58 5.690 10.671 -7.916 1.00 1.00 C ATOM 455 O GLU A 58 6.774 10.239 -8.306 1.00 1.00 O ATOM 456 CB GLU A 58 3.704 10.918 -9.451 1.00 1.00 C ATOM 457 CG GLU A 58 4.125 12.381 -9.296 1.00 1.00 C ATOM 458 CD GLU A 58 3.484 13.253 -10.377 1.00 1.00 C ATOM 459 OE1 GLU A 58 2.251 13.378 -10.423 1.00 1.00 O ATOM 460 OE2 GLU A 58 4.314 13.814 -11.189 1.00 1.00 O ATOM 0 H GLU A 58 2.754 10.483 -7.159 1.00 1.00 H new ATOM 0 HA GLU A 58 4.617 9.083 -8.868 1.00 1.00 H new ATOM 0 HB2 GLU A 58 3.964 10.564 -10.449 1.00 1.00 H new ATOM 0 HB3 GLU A 58 2.621 10.835 -9.356 1.00 1.00 H new ATOM 0 HG2 GLU A 58 3.834 12.744 -8.310 1.00 1.00 H new ATOM 0 HG3 GLU A 58 5.210 12.459 -9.357 1.00 1.00 H new ATOM 468 N ALA A 59 5.544 11.684 -7.074 1.00 1.00 N ATOM 469 CA ALA A 59 6.700 12.379 -6.533 1.00 1.00 C ATOM 470 C ALA A 59 7.706 11.355 -6.005 1.00 1.00 C ATOM 471 O ALA A 59 8.881 11.390 -6.367 1.00 1.00 O ATOM 472 CB ALA A 59 6.245 13.361 -5.451 1.00 1.00 C ATOM 0 H ALA A 59 4.643 12.040 -6.753 1.00 1.00 H new ATOM 0 HA ALA A 59 7.198 12.958 -7.311 1.00 1.00 H new ATOM 0 HB1 ALA A 59 7.112 13.882 -5.045 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.556 14.086 -5.884 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.743 12.815 -4.652 1.00 1.00 H new ATOM 478 N ASN A 60 7.208 10.466 -5.158 1.00 1.00 N ATOM 479 CA ASN A 60 8.049 9.434 -4.576 1.00 1.00 C ATOM 480 C ASN A 60 8.256 8.315 -5.599 1.00 1.00 C ATOM 481 O ASN A 60 9.272 7.623 -5.570 1.00 1.00 O ATOM 482 CB ASN A 60 7.393 8.824 -3.335 1.00 1.00 C ATOM 483 CG ASN A 60 7.548 9.747 -2.125 1.00 1.00 C ATOM 484 OD1 ASN A 60 7.195 11.008 -2.357 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 7.959 9.340 -1.051 1.00 1.00 N flip ATOM 0 H ASN A 60 6.233 10.439 -4.861 1.00 1.00 H new ATOM 0 HA ASN A 60 8.998 9.891 -4.295 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.335 8.646 -3.528 1.00 1.00 H new ATOM 0 HB3 ASN A 60 7.845 7.856 -3.119 1.00 1.00 H new ATOM 0 HD21 ASN A 60 8.213 8.358 -0.941 1.00 1.00 H new ATOM 0 HD22 ASN A 60 8.049 9.981 -0.263 1.00 1.00 H new ATOM 492 N GLY A 61 7.276 8.173 -6.480 1.00 1.00 N ATOM 493 CA GLY A 61 7.338 7.150 -7.510 1.00 1.00 C ATOM 494 C GLY A 61 6.927 5.785 -6.953 1.00 1.00 C ATOM 495 O GLY A 61 7.781 4.964 -6.622 1.00 1.00 O ATOM 0 H GLY A 61 6.435 8.749 -6.502 1.00 1.00 H new ATOM 0 HA2 GLY A 61 6.682 7.422 -8.337 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.350 7.093 -7.911 1.00 1.00 H new ATOM 499 N ILE A 62 5.621 5.586 -6.868 1.00 1.00 N ATOM 500 CA ILE A 62 5.086 4.335 -6.357 1.00 1.00 C ATOM 501 C ILE A 62 3.898 3.904 -7.219 1.00 1.00 C ATOM 502 O ILE A 62 2.802 3.682 -6.705 1.00 1.00 O ATOM 503 CB ILE A 62 4.753 4.462 -4.869 1.00 1.00 C ATOM 504 CG1 ILE A 62 5.974 4.928 -4.072 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.176 3.155 -4.323 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.834 4.563 -2.593 1.00 1.00 C ATOM 0 H ILE A 62 4.916 6.270 -7.144 1.00 1.00 H new ATOM 0 HA ILE A 62 5.834 3.545 -6.426 1.00 1.00 H new ATOM 0 HB ILE A 62 3.984 5.226 -4.755 1.00 1.00 H new ATOM 0 HG12 ILE A 62 6.875 4.470 -4.480 1.00 1.00 H new ATOM 0 HG13 ILE A 62 6.090 6.007 -4.175 1.00 1.00 H new ATOM 0 HG21 ILE A 62 3.948 3.272 -3.264 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.264 2.906 -4.865 1.00 1.00 H new ATOM 0 HG23 ILE A 62 4.904 2.354 -4.451 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.714 4.905 -2.049 1.00 1.00 H new ATOM 0 HD12 ILE A 62 4.945 5.042 -2.183 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.743 3.482 -2.492 1.00 1.00 H new ATOM 518 N ARG A 63 4.154 3.797 -8.514 1.00 1.00 N ATOM 519 CA ARG A 63 3.119 3.396 -9.451 1.00 1.00 C ATOM 520 C ARG A 63 3.457 2.037 -10.067 1.00 1.00 C ATOM 521 O ARG A 63 3.585 1.917 -11.284 1.00 1.00 O ATOM 522 CB ARG A 63 2.958 4.429 -10.569 1.00 1.00 C ATOM 523 CG ARG A 63 3.324 5.831 -10.078 1.00 1.00 C ATOM 524 CD ARG A 63 4.732 6.222 -10.533 1.00 1.00 C ATOM 525 NE ARG A 63 4.655 7.074 -11.740 1.00 1.00 N ATOM 526 CZ ARG A 63 5.666 7.231 -12.621 1.00 1.00 C ATOM 527 NH1 ARG A 63 5.487 8.017 -13.666 1.00 1.00 N ATOM 528 NH2 ARG A 63 6.841 6.594 -12.436 1.00 1.00 N ATOM 0 H ARG A 63 5.064 3.981 -8.937 1.00 1.00 H new ATOM 0 HA ARG A 63 2.182 3.325 -8.899 1.00 1.00 H new ATOM 0 HB2 ARG A 63 3.593 4.158 -11.413 1.00 1.00 H new ATOM 0 HB3 ARG A 63 1.929 4.423 -10.929 1.00 1.00 H new ATOM 0 HG2 ARG A 63 2.602 6.553 -10.458 1.00 1.00 H new ATOM 0 HG3 ARG A 63 3.267 5.865 -8.990 1.00 1.00 H new ATOM 0 HD2 ARG A 63 5.247 6.755 -9.734 1.00 1.00 H new ATOM 0 HD3 ARG A 63 5.316 5.327 -10.746 1.00 1.00 H new ATOM 0 HE ARG A 63 3.784 7.574 -11.918 1.00 1.00 H new ATOM 0 HH11 ARG A 63 4.595 8.495 -13.798 1.00 1.00 H new ATOM 0 HH12 ARG A 63 6.240 8.147 -14.341 1.00 1.00 H new ATOM 0 HH21 ARG A 63 6.971 5.988 -11.626 1.00 1.00 H new ATOM 0 HH22 ARG A 63 7.600 6.718 -13.107 1.00 1.00 H new ATOM 538 N THR A 64 3.593 1.047 -9.197 1.00 1.00 N ATOM 539 CA THR A 64 3.914 -0.299 -9.639 1.00 1.00 C ATOM 540 C THR A 64 3.429 -1.327 -8.615 1.00 1.00 C ATOM 541 O THR A 64 3.442 -1.065 -7.413 1.00 1.00 O ATOM 542 CB THR A 64 5.420 -0.365 -9.900 1.00 1.00 C ATOM 543 OG1 THR A 64 6.002 0.152 -8.706 1.00 1.00 O ATOM 544 CG2 THR A 64 5.869 0.614 -10.986 1.00 1.00 C ATOM 0 H THR A 64 3.487 1.150 -8.188 1.00 1.00 H new ATOM 0 HA THR A 64 3.398 -0.544 -10.567 1.00 1.00 H new ATOM 0 HB THR A 64 5.694 -1.380 -10.189 1.00 1.00 H new ATOM 0 HG1 THR A 64 6.924 -0.171 -8.625 1.00 1.00 H new ATOM 0 HG21 THR A 64 6.946 0.527 -11.132 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.356 0.382 -11.919 1.00 1.00 H new ATOM 0 HG23 THR A 64 5.626 1.632 -10.681 1.00 1.00 H new ATOM 552 N VAL A 65 3.013 -2.476 -9.127 1.00 1.00 N ATOM 553 CA VAL A 65 2.526 -3.544 -8.272 1.00 1.00 C ATOM 554 C VAL A 65 3.636 -3.967 -7.308 1.00 1.00 C ATOM 555 O VAL A 65 3.428 -4.008 -6.096 1.00 1.00 O ATOM 556 CB VAL A 65 2.004 -4.701 -9.127 1.00 1.00 C ATOM 557 CG1 VAL A 65 1.918 -5.992 -8.309 1.00 1.00 C ATOM 558 CG2 VAL A 65 0.650 -4.356 -9.749 1.00 1.00 C ATOM 0 H VAL A 65 3.003 -2.690 -10.124 1.00 1.00 H new ATOM 0 HA VAL A 65 1.687 -3.198 -7.669 1.00 1.00 H new ATOM 0 HB VAL A 65 2.714 -4.864 -9.938 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.544 -6.798 -8.940 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.908 -6.253 -7.935 1.00 1.00 H new ATOM 0 HG13 VAL A 65 1.240 -5.845 -7.468 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.302 -5.195 -10.351 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -0.072 -4.153 -8.958 1.00 1.00 H new ATOM 0 HG23 VAL A 65 0.754 -3.474 -10.381 1.00 1.00 H new ATOM 568 N ARG A 66 4.791 -4.270 -7.882 1.00 1.00 N ATOM 569 CA ARG A 66 5.934 -4.688 -7.088 1.00 1.00 C ATOM 570 C ARG A 66 6.131 -3.741 -5.902 1.00 1.00 C ATOM 571 O ARG A 66 5.949 -4.135 -4.751 1.00 1.00 O ATOM 572 CB ARG A 66 7.211 -4.712 -7.931 1.00 1.00 C ATOM 573 CG ARG A 66 7.252 -5.950 -8.828 1.00 1.00 C ATOM 574 CD ARG A 66 8.610 -6.080 -9.521 1.00 1.00 C ATOM 575 NE ARG A 66 8.516 -7.040 -10.643 1.00 1.00 N ATOM 576 CZ ARG A 66 8.072 -6.720 -11.878 1.00 1.00 C ATOM 577 NH1 ARG A 66 8.030 -7.658 -12.806 1.00 1.00 N ATOM 578 NH2 ARG A 66 7.677 -5.460 -12.158 1.00 1.00 N ATOM 0 H ARG A 66 4.960 -4.234 -8.887 1.00 1.00 H new ATOM 0 HA ARG A 66 5.734 -5.696 -6.723 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.263 -3.812 -8.544 1.00 1.00 H new ATOM 0 HB3 ARG A 66 8.083 -4.703 -7.277 1.00 1.00 H new ATOM 0 HG2 ARG A 66 7.057 -6.842 -8.232 1.00 1.00 H new ATOM 0 HG3 ARG A 66 6.462 -5.887 -9.577 1.00 1.00 H new ATOM 0 HD2 ARG A 66 8.934 -5.107 -9.890 1.00 1.00 H new ATOM 0 HD3 ARG A 66 9.362 -6.416 -8.806 1.00 1.00 H new ATOM 0 HE ARG A 66 8.804 -8.004 -10.473 1.00 1.00 H new ATOM 0 HH11 ARG A 66 8.330 -8.608 -12.585 1.00 1.00 H new ATOM 0 HH12 ARG A 66 7.697 -7.433 -13.744 1.00 1.00 H new ATOM 0 HH21 ARG A 66 7.713 -4.742 -11.435 1.00 1.00 H new ATOM 0 HH22 ARG A 66 7.343 -5.226 -13.093 1.00 1.00 H new ATOM 588 N ASP A 67 6.502 -2.510 -6.224 1.00 1.00 N ATOM 589 CA ASP A 67 6.726 -1.504 -5.200 1.00 1.00 C ATOM 590 C ASP A 67 5.698 -1.683 -4.082 1.00 1.00 C ATOM 591 O ASP A 67 6.037 -1.594 -2.902 1.00 1.00 O ATOM 592 CB ASP A 67 6.565 -0.093 -5.769 1.00 1.00 C ATOM 593 CG ASP A 67 7.795 0.457 -6.494 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.208 1.604 -6.271 1.00 1.00 O ATOM 595 OD2 ASP A 67 8.344 -0.357 -7.331 1.00 1.00 O ATOM 0 H ASP A 67 6.653 -2.187 -7.180 1.00 1.00 H new ATOM 0 HA ASP A 67 7.741 -1.627 -4.823 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.723 -0.091 -6.461 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.310 0.584 -4.954 1.00 1.00 H new ATOM 601 N VAL A 68 4.463 -1.932 -4.491 1.00 1.00 N ATOM 602 CA VAL A 68 3.383 -2.125 -3.538 1.00 1.00 C ATOM 603 C VAL A 68 3.353 -3.589 -3.096 1.00 1.00 C ATOM 604 O VAL A 68 2.310 -4.239 -3.158 1.00 1.00 O ATOM 605 CB VAL A 68 2.059 -1.656 -4.145 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.933 -1.707 -3.111 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.195 -0.254 -4.741 1.00 1.00 C ATOM 0 H VAL A 68 4.186 -2.005 -5.470 1.00 1.00 H new ATOM 0 HA VAL A 68 3.548 -1.520 -2.646 1.00 1.00 H new ATOM 0 HB VAL A 68 1.801 -2.339 -4.954 1.00 1.00 H new ATOM 0 HG11 VAL A 68 0.003 -1.369 -3.568 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.811 -2.730 -2.756 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.181 -1.058 -2.271 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.240 0.055 -5.166 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.488 0.447 -3.959 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.954 -0.263 -5.523 1.00 1.00 H new ATOM 617 N ALA A 69 4.510 -4.067 -2.661 1.00 1.00 N ATOM 618 CA ALA A 69 4.630 -5.443 -2.210 1.00 1.00 C ATOM 619 C ALA A 69 5.946 -5.613 -1.449 1.00 1.00 C ATOM 620 O ALA A 69 5.987 -6.270 -0.410 1.00 1.00 O ATOM 621 CB ALA A 69 4.524 -6.385 -3.411 1.00 1.00 C ATOM 0 H ALA A 69 5.373 -3.525 -2.611 1.00 1.00 H new ATOM 0 HA ALA A 69 3.820 -5.695 -1.526 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.614 -7.417 -3.073 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.559 -6.246 -3.899 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.323 -6.164 -4.118 1.00 1.00 H new ATOM 627 N ALA A 70 6.991 -5.009 -1.997 1.00 1.00 N ATOM 628 CA ALA A 70 8.306 -5.085 -1.383 1.00 1.00 C ATOM 629 C ALA A 70 8.357 -4.142 -0.179 1.00 1.00 C ATOM 630 O ALA A 70 8.488 -4.557 0.971 1.00 1.00 O ATOM 631 CB ALA A 70 9.376 -4.759 -2.426 1.00 1.00 C ATOM 0 H ALA A 70 6.953 -4.465 -2.859 1.00 1.00 H new ATOM 0 HA ALA A 70 8.503 -6.094 -1.020 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.362 -4.816 -1.965 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.316 -5.476 -3.245 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.213 -3.753 -2.812 1.00 1.00 H new ATOM 637 N TYR A 71 8.250 -2.845 -0.474 1.00 1.00 N ATOM 638 CA TYR A 71 8.282 -1.824 0.554 1.00 1.00 C ATOM 639 C TYR A 71 7.408 -2.243 1.727 1.00 1.00 C ATOM 640 O TYR A 71 7.906 -2.296 2.850 1.00 1.00 O ATOM 641 CB TYR A 71 7.801 -0.499 -0.032 1.00 1.00 C ATOM 642 CG TYR A 71 8.918 0.479 -0.307 1.00 1.00 C ATOM 643 CD1 TYR A 71 8.685 1.856 -0.199 1.00 1.00 C ATOM 644 CD2 TYR A 71 10.187 0.010 -0.669 1.00 1.00 C ATOM 645 CE1 TYR A 71 9.721 2.763 -0.453 1.00 1.00 C ATOM 646 CE2 TYR A 71 11.222 0.918 -0.923 1.00 1.00 C ATOM 647 CZ TYR A 71 10.989 2.294 -0.815 1.00 1.00 C ATOM 648 OH TYR A 71 11.998 3.178 -1.062 1.00 1.00 O ATOM 0 H TYR A 71 8.140 -2.484 -1.422 1.00 1.00 H new ATOM 0 HA TYR A 71 9.303 -1.699 0.915 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.264 -0.695 -0.960 1.00 1.00 H new ATOM 0 HB3 TYR A 71 7.091 -0.043 0.657 1.00 1.00 H new ATOM 0 HD1 TYR A 71 7.707 2.218 0.080 1.00 1.00 H new ATOM 0 HD2 TYR A 71 10.367 -1.052 -0.752 1.00 1.00 H new ATOM 0 HE1 TYR A 71 9.542 3.825 -0.370 1.00 1.00 H new ATOM 0 HE2 TYR A 71 12.201 0.557 -1.202 1.00 1.00 H new ATOM 0 HH TYR A 71 12.812 2.687 -1.299 1.00 1.00 H new ATOM 658 N ILE A 72 6.144 -2.529 1.452 1.00 1.00 N ATOM 659 CA ILE A 72 5.225 -2.941 2.500 1.00 1.00 C ATOM 660 C ILE A 72 5.950 -3.876 3.469 1.00 1.00 C ATOM 661 O ILE A 72 5.709 -3.834 4.675 1.00 1.00 O ATOM 662 CB ILE A 72 3.957 -3.545 1.893 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.293 -4.745 1.005 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.148 -2.485 1.143 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.170 -5.784 1.039 1.00 1.00 C ATOM 0 H ILE A 72 5.734 -2.484 0.519 1.00 1.00 H new ATOM 0 HA ILE A 72 4.894 -2.078 3.078 1.00 1.00 H new ATOM 0 HB ILE A 72 3.330 -3.911 2.706 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.452 -4.410 -0.020 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.225 -5.200 1.340 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.252 -2.942 0.722 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.861 -1.691 1.833 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.754 -2.066 0.340 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.434 -6.626 0.400 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.030 -6.135 2.061 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.245 -5.332 0.680 1.00 1.00 H new ATOM 677 N ARG A 73 6.822 -4.699 2.906 1.00 1.00 N ATOM 678 CA ARG A 73 7.583 -5.644 3.706 1.00 1.00 C ATOM 679 C ARG A 73 8.401 -4.904 4.767 1.00 1.00 C ATOM 680 O ARG A 73 8.188 -5.093 5.963 1.00 1.00 O ATOM 681 CB ARG A 73 8.527 -6.472 2.831 1.00 1.00 C ATOM 682 CG ARG A 73 9.045 -7.695 3.589 1.00 1.00 C ATOM 683 CD ARG A 73 8.839 -8.974 2.774 1.00 1.00 C ATOM 684 NE ARG A 73 9.912 -9.946 3.077 1.00 1.00 N ATOM 685 CZ ARG A 73 10.282 -10.948 2.250 1.00 1.00 C ATOM 686 NH1 ARG A 73 11.254 -11.759 2.623 1.00 1.00 N ATOM 687 NH2 ARG A 73 9.666 -11.116 1.061 1.00 1.00 N ATOM 0 H ARG A 73 7.019 -4.731 1.906 1.00 1.00 H new ATOM 0 HA ARG A 73 6.873 -6.314 4.191 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.005 -6.793 1.929 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.367 -5.855 2.511 1.00 1.00 H new ATOM 0 HG2 ARG A 73 10.105 -7.568 3.811 1.00 1.00 H new ATOM 0 HG3 ARG A 73 8.527 -7.781 4.544 1.00 1.00 H new ATOM 0 HD2 ARG A 73 7.867 -9.409 3.005 1.00 1.00 H new ATOM 0 HD3 ARG A 73 8.839 -8.740 1.709 1.00 1.00 H new ATOM 0 HE ARG A 73 10.403 -9.854 3.966 1.00 1.00 H new ATOM 0 HH11 ARG A 73 11.713 -11.624 3.524 1.00 1.00 H new ATOM 0 HH12 ARG A 73 11.546 -12.521 2.011 1.00 1.00 H new ATOM 0 HH21 ARG A 73 8.916 -10.484 0.782 1.00 1.00 H new ATOM 0 HH22 ARG A 73 9.951 -11.875 0.442 1.00 1.00 H new ATOM 697 N ASN A 74 9.319 -4.076 4.289 1.00 1.00 N ATOM 698 CA ASN A 74 10.169 -3.307 5.182 1.00 1.00 C ATOM 699 C ASN A 74 10.081 -1.825 4.811 1.00 1.00 C ATOM 700 O ASN A 74 10.992 -1.243 4.227 1.00 1.00 O ATOM 701 CB ASN A 74 11.632 -3.739 5.058 1.00 1.00 C ATOM 702 CG ASN A 74 12.408 -3.420 6.337 1.00 1.00 C ATOM 703 OD1 ASN A 74 12.517 -2.119 6.594 1.00 1.00 O flip ATOM 704 ND2 ASN A 74 12.877 -4.296 7.044 1.00 1.00 N flip ATOM 0 H ASN A 74 9.492 -3.921 3.296 1.00 1.00 H new ATOM 0 HA ASN A 74 9.828 -3.478 6.203 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.683 -4.809 4.855 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.094 -3.231 4.212 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.757 -5.276 6.789 1.00 1.00 H new ATOM 0 HD22 ASN A 74 13.389 -4.048 7.891 1.00 1.00 H new ATOM 711 N PRO A 75 8.946 -1.220 5.170 1.00 1.00 N ATOM 712 CA PRO A 75 8.651 0.175 4.922 1.00 1.00 C ATOM 713 C PRO A 75 9.304 1.033 5.996 1.00 1.00 C ATOM 714 O PRO A 75 9.884 0.479 6.928 1.00 1.00 O ATOM 715 CB PRO A 75 7.129 0.271 4.994 1.00 1.00 C ATOM 716 CG PRO A 75 6.743 -0.829 5.919 1.00 1.00 C ATOM 717 CD PRO A 75 7.854 -1.874 5.859 1.00 1.00 C ATOM 0 HA PRO A 75 9.029 0.525 3.962 1.00 1.00 H new ATOM 0 HB2 PRO A 75 6.808 1.242 5.372 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.674 0.145 4.012 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.621 -0.453 6.935 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.788 -1.264 5.624 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.152 -2.192 6.858 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.528 -2.766 5.325 1.00 1.00 H new ATOM 725 N GLY A 76 9.201 2.346 5.850 1.00 1.00 N ATOM 726 CA GLY A 76 9.790 3.255 6.819 1.00 1.00 C ATOM 727 C GLY A 76 8.847 3.482 8.002 1.00 1.00 C ATOM 728 O GLY A 76 7.821 2.823 8.155 1.00 1.00 O ATOM 0 H GLY A 76 8.719 2.802 5.076 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.736 2.848 7.176 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.014 4.208 6.340 1.00 1.00 H new ATOM 732 N PRO A 77 9.224 4.444 8.847 1.00 1.00 N ATOM 733 CA PRO A 77 8.483 4.828 10.030 1.00 1.00 C ATOM 734 C PRO A 77 7.109 5.345 9.626 1.00 1.00 C ATOM 735 O PRO A 77 6.954 5.797 8.493 1.00 1.00 O ATOM 736 CB PRO A 77 9.317 5.933 10.673 1.00 1.00 C ATOM 737 CG PRO A 77 10.208 6.452 9.599 1.00 1.00 C ATOM 738 CD PRO A 77 10.423 5.239 8.698 1.00 1.00 C ATOM 0 HA PRO A 77 8.321 3.998 10.718 1.00 1.00 H new ATOM 0 HB2 PRO A 77 8.679 6.724 11.067 1.00 1.00 H new ATOM 0 HB3 PRO A 77 9.899 5.546 11.510 1.00 1.00 H new ATOM 0 HG2 PRO A 77 9.746 7.277 9.058 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.150 6.824 10.003 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.571 5.539 7.661 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.308 4.678 8.997 1.00 1.00 H new ATOM 746 N GLY A 78 6.154 5.269 10.541 1.00 1.00 N ATOM 747 CA GLY A 78 4.807 5.733 10.257 1.00 1.00 C ATOM 748 C GLY A 78 3.918 4.581 9.785 1.00 1.00 C ATOM 749 O GLY A 78 2.723 4.555 10.076 1.00 1.00 O ATOM 0 H GLY A 78 6.286 4.893 11.480 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.378 6.185 11.151 1.00 1.00 H new ATOM 0 HA3 GLY A 78 4.840 6.509 9.492 1.00 1.00 H new ATOM 753 N MET A 79 4.535 3.656 9.064 1.00 1.00 N ATOM 754 CA MET A 79 3.814 2.504 8.549 1.00 1.00 C ATOM 755 C MET A 79 4.412 1.201 9.082 1.00 1.00 C ATOM 756 O MET A 79 5.616 0.961 9.021 1.00 1.00 O ATOM 757 CB MET A 79 3.874 2.506 7.021 1.00 1.00 C ATOM 758 CG MET A 79 2.666 1.782 6.424 1.00 1.00 C ATOM 759 SD MET A 79 2.458 2.249 4.713 1.00 1.00 S ATOM 760 CE MET A 79 3.018 0.754 3.914 1.00 1.00 C ATOM 0 H MET A 79 5.526 3.681 8.824 1.00 1.00 H new ATOM 0 HA MET A 79 2.778 2.569 8.881 1.00 1.00 H new ATOM 0 HB2 MET A 79 3.904 3.533 6.656 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.793 2.023 6.689 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.804 0.703 6.501 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.767 2.030 6.989 1.00 1.00 H new ATOM 0 HE1 MET A 79 2.954 0.874 2.832 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.052 0.556 4.197 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.391 -0.081 4.224 1.00 1.00 H new ATOM 770 N PRO A 80 3.529 0.352 9.615 1.00 1.00 N ATOM 771 CA PRO A 80 3.873 -0.937 10.176 1.00 1.00 C ATOM 772 C PRO A 80 4.657 -1.747 9.153 1.00 1.00 C ATOM 773 O PRO A 80 5.400 -1.155 8.371 1.00 1.00 O ATOM 774 CB PRO A 80 2.533 -1.599 10.487 1.00 1.00 C ATOM 775 CG PRO A 80 1.568 -0.507 10.605 1.00 1.00 C ATOM 776 CD PRO A 80 2.107 0.601 9.703 1.00 1.00 C ATOM 0 HA PRO A 80 4.497 -0.859 11.066 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.246 -2.291 9.696 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.586 -2.175 11.411 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.574 -0.824 10.289 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.481 -0.168 11.637 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.639 0.572 8.719 1.00 1.00 H new ATOM 0 HD3 PRO A 80 1.904 1.586 10.123 1.00 1.00 H new ATOM 784 N ALA A 81 4.483 -3.060 9.175 1.00 1.00 N ATOM 785 CA ALA A 81 5.185 -3.924 8.241 1.00 1.00 C ATOM 786 C ALA A 81 4.372 -5.201 8.025 1.00 1.00 C ATOM 787 O ALA A 81 3.499 -5.530 8.828 1.00 1.00 O ATOM 788 CB ALA A 81 6.592 -4.210 8.770 1.00 1.00 C ATOM 0 H ALA A 81 3.866 -3.547 9.825 1.00 1.00 H new ATOM 0 HA ALA A 81 5.294 -3.435 7.273 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.119 -4.858 8.070 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.138 -3.273 8.878 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.523 -4.703 9.739 1.00 1.00 H new ATOM 794 N PHE A 82 4.686 -5.888 6.936 1.00 1.00 N ATOM 795 CA PHE A 82 3.996 -7.123 6.604 1.00 1.00 C ATOM 796 C PHE A 82 4.963 -8.149 6.011 1.00 1.00 C ATOM 797 O PHE A 82 5.326 -8.060 4.839 1.00 1.00 O ATOM 798 CB PHE A 82 2.935 -6.775 5.558 1.00 1.00 C ATOM 799 CG PHE A 82 1.932 -5.715 6.018 1.00 1.00 C ATOM 800 CD1 PHE A 82 2.154 -4.402 5.741 1.00 1.00 C ATOM 801 CD2 PHE A 82 0.818 -6.086 6.705 1.00 1.00 C ATOM 802 CE1 PHE A 82 1.223 -3.419 6.168 1.00 1.00 C ATOM 803 CE2 PHE A 82 -0.113 -5.102 7.132 1.00 1.00 C ATOM 804 CZ PHE A 82 0.109 -3.789 6.854 1.00 1.00 C ATOM 0 H PHE A 82 5.410 -5.612 6.272 1.00 1.00 H new ATOM 0 HA PHE A 82 3.555 -7.556 7.502 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.432 -6.422 4.654 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.393 -7.682 5.290 1.00 1.00 H new ATOM 0 HD1 PHE A 82 3.039 -4.107 5.196 1.00 1.00 H new ATOM 0 HD2 PHE A 82 0.642 -7.128 6.926 1.00 1.00 H new ATOM 0 HE1 PHE A 82 1.400 -2.377 5.948 1.00 1.00 H new ATOM 0 HE2 PHE A 82 -0.997 -5.396 7.678 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.599 -3.041 7.178 1.00 1.00 H new ATOM 814 N GLY A 83 5.352 -9.101 6.847 1.00 1.00 N ATOM 815 CA GLY A 83 6.269 -10.143 6.419 1.00 1.00 C ATOM 816 C GLY A 83 5.509 -11.391 5.966 1.00 1.00 C ATOM 817 O GLY A 83 4.285 -11.367 5.845 1.00 1.00 O ATOM 0 H GLY A 83 5.049 -9.172 7.818 1.00 1.00 H new ATOM 0 HA2 GLY A 83 6.889 -9.774 5.602 1.00 1.00 H new ATOM 0 HA3 GLY A 83 6.941 -10.400 7.238 1.00 1.00 H new ATOM 821 N GLU A 84 6.266 -12.452 5.726 1.00 1.00 N ATOM 822 CA GLU A 84 5.678 -13.707 5.288 1.00 1.00 C ATOM 823 C GLU A 84 5.024 -14.427 6.469 1.00 1.00 C ATOM 824 O GLU A 84 4.493 -15.526 6.313 1.00 1.00 O ATOM 825 CB GLU A 84 6.725 -14.596 4.615 1.00 1.00 C ATOM 826 CG GLU A 84 7.627 -13.778 3.690 1.00 1.00 C ATOM 827 CD GLU A 84 9.092 -13.882 4.119 1.00 1.00 C ATOM 828 OE1 GLU A 84 9.389 -13.846 5.322 1.00 1.00 O ATOM 829 OE2 GLU A 84 9.936 -14.005 3.151 1.00 1.00 O ATOM 0 H GLU A 84 7.281 -12.468 5.827 1.00 1.00 H new ATOM 0 HA GLU A 84 4.907 -13.487 4.550 1.00 1.00 H new ATOM 0 HB2 GLU A 84 7.330 -15.090 5.375 1.00 1.00 H new ATOM 0 HB3 GLU A 84 6.228 -15.380 4.044 1.00 1.00 H new ATOM 0 HG2 GLU A 84 7.519 -14.132 2.665 1.00 1.00 H new ATOM 0 HG3 GLU A 84 7.314 -12.734 3.702 1.00 1.00 H new ATOM 837 N ALA A 85 5.083 -13.779 7.623 1.00 1.00 N ATOM 838 CA ALA A 85 4.503 -14.344 8.829 1.00 1.00 C ATOM 839 C ALA A 85 2.988 -14.464 8.654 1.00 1.00 C ATOM 840 O ALA A 85 2.391 -15.464 9.048 1.00 1.00 O ATOM 841 CB ALA A 85 4.884 -13.479 10.033 1.00 1.00 C ATOM 0 H ALA A 85 5.524 -12.868 7.748 1.00 1.00 H new ATOM 0 HA ALA A 85 4.894 -15.345 9.010 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.449 -13.903 10.938 1.00 1.00 H new ATOM 0 HB2 ALA A 85 5.969 -13.450 10.131 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.506 -12.467 9.888 1.00 1.00 H new ATOM 847 N MET A 86 2.410 -13.429 8.061 1.00 1.00 N ATOM 848 CA MET A 86 0.975 -13.406 7.829 1.00 1.00 C ATOM 849 C MET A 86 0.663 -13.376 6.331 1.00 1.00 C ATOM 850 O MET A 86 -0.081 -14.217 5.831 1.00 1.00 O ATOM 851 CB MET A 86 0.369 -12.173 8.502 1.00 1.00 C ATOM 852 CG MET A 86 -1.142 -12.336 8.684 1.00 1.00 C ATOM 853 SD MET A 86 -1.763 -11.077 9.786 1.00 1.00 S ATOM 854 CE MET A 86 -1.174 -11.713 11.347 1.00 1.00 C ATOM 0 H MET A 86 2.909 -12.601 7.735 1.00 1.00 H new ATOM 0 HA MET A 86 0.542 -14.312 8.253 1.00 1.00 H new ATOM 0 HB2 MET A 86 0.841 -12.014 9.472 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.573 -11.288 7.900 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.643 -12.265 7.718 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.364 -13.325 9.086 1.00 1.00 H new ATOM 0 HE1 MET A 86 -1.952 -11.602 12.102 1.00 1.00 H new ATOM 0 HE2 MET A 86 -0.921 -12.768 11.238 1.00 1.00 H new ATOM 0 HE3 MET A 86 -0.288 -11.158 11.655 1.00 1.00 H new ATOM 864 N ILE A 87 1.249 -12.397 5.657 1.00 1.00 N ATOM 865 CA ILE A 87 1.043 -12.246 4.227 1.00 1.00 C ATOM 866 C ILE A 87 2.380 -12.412 3.503 1.00 1.00 C ATOM 867 O ILE A 87 3.317 -11.637 3.676 1.00 1.00 O ATOM 868 CB ILE A 87 0.340 -10.921 3.924 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.933 -10.772 4.759 1.00 1.00 C ATOM 870 CG2 ILE A 87 0.064 -10.777 2.426 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.918 -9.811 4.090 1.00 1.00 C ATOM 0 H ILE A 87 1.866 -11.701 6.075 1.00 1.00 H new ATOM 0 HA ILE A 87 0.379 -13.026 3.854 1.00 1.00 H new ATOM 0 HB ILE A 87 1.007 -10.107 4.208 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.403 -11.747 4.890 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.679 -10.404 5.753 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.436 -9.827 2.238 1.00 1.00 H new ATOM 0 HG22 ILE A 87 1.006 -10.806 1.878 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.575 -11.595 2.093 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.814 -9.723 4.704 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.454 -8.831 3.983 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.189 -10.194 3.106 1.00 1.00 H new ATOM 883 N PRO A 88 2.447 -13.457 2.675 1.00 1.00 N ATOM 884 CA PRO A 88 3.612 -13.802 1.889 1.00 1.00 C ATOM 885 C PRO A 88 3.758 -12.822 0.734 1.00 1.00 C ATOM 886 O PRO A 88 2.765 -12.301 0.230 1.00 1.00 O ATOM 887 CB PRO A 88 3.336 -15.214 1.377 1.00 1.00 C ATOM 888 CG PRO A 88 1.855 -15.296 1.320 1.00 1.00 C ATOM 889 CD PRO A 88 1.364 -14.389 2.446 1.00 1.00 C ATOM 0 HA PRO A 88 4.538 -13.758 2.462 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.782 -15.376 0.396 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.752 -15.968 2.045 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.478 -14.963 0.353 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.511 -16.321 1.460 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.449 -13.869 2.163 1.00 1.00 H new ATOM 0 HD3 PRO A 88 1.140 -14.962 3.345 1.00 1.00 H new ATOM 897 N PRO A 89 5.000 -12.570 0.315 1.00 1.00 N ATOM 898 CA PRO A 89 5.329 -11.668 -0.767 1.00 1.00 C ATOM 899 C PRO A 89 4.513 -12.031 -2.000 1.00 1.00 C ATOM 900 O PRO A 89 4.023 -11.127 -2.675 1.00 1.00 O ATOM 901 CB PRO A 89 6.821 -11.883 -1.016 1.00 1.00 C ATOM 902 CG PRO A 89 7.209 -13.173 -0.252 1.00 1.00 C ATOM 903 CD PRO A 89 6.190 -13.165 0.885 1.00 1.00 C ATOM 0 HA PRO A 89 5.108 -10.627 -0.533 1.00 1.00 H new ATOM 0 HB2 PRO A 89 7.026 -11.986 -2.082 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.401 -11.031 -0.660 1.00 1.00 H new ATOM 0 HG2 PRO A 89 7.122 -14.062 -0.876 1.00 1.00 H new ATOM 0 HG3 PRO A 89 8.235 -13.141 0.115 1.00 1.00 H new ATOM 0 HD2 PRO A 89 5.993 -14.174 1.246 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.552 -12.587 1.736 1.00 1.00 H new ATOM 911 N ALA A 90 4.384 -13.322 -2.268 1.00 1.00 N ATOM 912 CA ALA A 90 3.626 -13.774 -3.422 1.00 1.00 C ATOM 913 C ALA A 90 2.163 -13.355 -3.262 1.00 1.00 C ATOM 914 O ALA A 90 1.445 -13.206 -4.250 1.00 1.00 O ATOM 915 CB ALA A 90 3.785 -15.288 -3.576 1.00 1.00 C ATOM 0 H ALA A 90 4.792 -14.069 -1.706 1.00 1.00 H new ATOM 0 HA ALA A 90 4.004 -13.312 -4.334 1.00 1.00 H new ATOM 0 HB1 ALA A 90 3.216 -15.627 -4.442 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.838 -15.531 -3.716 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.414 -15.786 -2.680 1.00 1.00 H new ATOM 921 N ASP A 91 1.765 -13.178 -2.011 1.00 1.00 N ATOM 922 CA ASP A 91 0.401 -12.779 -1.709 1.00 1.00 C ATOM 923 C ASP A 91 0.320 -11.252 -1.657 1.00 1.00 C ATOM 924 O ASP A 91 -0.769 -10.688 -1.567 1.00 1.00 O ATOM 925 CB ASP A 91 -0.044 -13.323 -0.350 1.00 1.00 C ATOM 926 CG ASP A 91 -0.355 -14.821 -0.323 1.00 1.00 C ATOM 927 OD1 ASP A 91 -0.133 -15.537 -1.310 1.00 1.00 O ATOM 928 OD2 ASP A 91 -0.853 -15.254 0.785 1.00 1.00 O ATOM 0 H ASP A 91 2.363 -13.304 -1.195 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.248 -13.180 -2.488 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.738 -13.116 0.381 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -0.932 -12.777 -0.030 1.00 1.00 H new ATOM 934 N ALA A 92 1.486 -10.627 -1.716 1.00 1.00 N ATOM 935 CA ALA A 92 1.561 -9.177 -1.677 1.00 1.00 C ATOM 936 C ALA A 92 1.436 -8.625 -3.099 1.00 1.00 C ATOM 937 O ALA A 92 0.910 -7.532 -3.300 1.00 1.00 O ATOM 938 CB ALA A 92 2.865 -8.751 -0.999 1.00 1.00 C ATOM 0 H ALA A 92 2.387 -11.099 -1.791 1.00 1.00 H new ATOM 0 HA ALA A 92 0.739 -8.766 -1.091 1.00 1.00 H new ATOM 0 HB1 ALA A 92 2.921 -7.663 -0.970 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.891 -9.143 0.018 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.712 -9.143 -1.561 1.00 1.00 H new ATOM 944 N LEU A 93 1.927 -9.408 -4.048 1.00 1.00 N ATOM 945 CA LEU A 93 1.877 -9.012 -5.445 1.00 1.00 C ATOM 946 C LEU A 93 0.416 -8.882 -5.881 1.00 1.00 C ATOM 947 O LEU A 93 0.120 -8.241 -6.889 1.00 1.00 O ATOM 948 CB LEU A 93 2.692 -9.979 -6.306 1.00 1.00 C ATOM 949 CG LEU A 93 4.210 -9.914 -6.133 1.00 1.00 C ATOM 950 CD1 LEU A 93 4.886 -11.135 -6.760 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.770 -8.602 -6.685 1.00 1.00 C ATOM 0 H LEU A 93 2.361 -10.315 -3.877 1.00 1.00 H new ATOM 0 HA LEU A 93 2.339 -8.034 -5.581 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.364 -10.995 -6.086 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.457 -9.788 -7.353 1.00 1.00 H new ATOM 0 HG LEU A 93 4.433 -9.935 -5.066 1.00 1.00 H new ATOM 0 HD11 LEU A 93 5.965 -11.064 -6.623 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.518 -12.041 -6.279 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.657 -11.171 -7.825 1.00 1.00 H new ATOM 0 HD21 LEU A 93 5.851 -8.582 -6.549 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.536 -8.525 -7.747 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.322 -7.763 -6.153 1.00 1.00 H new ATOM 963 N LYS A 94 -0.459 -9.499 -5.101 1.00 1.00 N ATOM 964 CA LYS A 94 -1.881 -9.460 -5.394 1.00 1.00 C ATOM 965 C LYS A 94 -2.490 -8.199 -4.778 1.00 1.00 C ATOM 966 O LYS A 94 -3.567 -7.764 -5.183 1.00 1.00 O ATOM 967 CB LYS A 94 -2.557 -10.755 -4.939 1.00 1.00 C ATOM 968 CG LYS A 94 -2.658 -10.815 -3.413 1.00 1.00 C ATOM 969 CD LYS A 94 -4.113 -10.966 -2.965 1.00 1.00 C ATOM 970 CE LYS A 94 -4.527 -12.439 -2.933 1.00 1.00 C ATOM 971 NZ LYS A 94 -5.578 -12.704 -3.941 1.00 1.00 N ATOM 0 H LYS A 94 -0.210 -10.029 -4.266 1.00 1.00 H new ATOM 0 HA LYS A 94 -2.047 -9.402 -6.470 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -3.553 -10.822 -5.376 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -1.991 -11.612 -5.303 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -2.070 -11.653 -3.039 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -2.233 -9.909 -2.981 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -4.240 -10.527 -1.975 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -4.765 -10.416 -3.643 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -3.660 -13.071 -3.128 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -4.894 -12.698 -1.940 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -5.847 -13.708 -3.906 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -6.411 -12.115 -3.738 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -5.216 -12.476 -4.889 1.00 1.00 H new ATOM 984 N ILE A 95 -1.775 -7.648 -3.808 1.00 1.00 N ATOM 985 CA ILE A 95 -2.232 -6.446 -3.132 1.00 1.00 C ATOM 986 C ILE A 95 -1.951 -5.230 -4.018 1.00 1.00 C ATOM 987 O ILE A 95 -2.838 -4.410 -4.251 1.00 1.00 O ATOM 988 CB ILE A 95 -1.610 -6.347 -1.737 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.799 -7.650 -0.959 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.162 -5.139 -0.976 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.253 -7.815 -0.510 1.00 1.00 C ATOM 0 H ILE A 95 -0.883 -8.012 -3.474 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.310 -6.484 -2.974 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.537 -6.193 -1.851 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.509 -8.495 -1.583 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.143 -7.656 -0.089 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.704 -5.091 0.012 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -1.933 -4.227 -1.527 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.242 -5.238 -0.871 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.360 -8.749 0.041 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.532 -6.981 0.133 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -3.904 -7.833 -1.384 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.715 -5.153 -4.488 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.307 -4.051 -5.343 1.00 1.00 C ATOM 1005 C GLY A 96 -1.345 -3.793 -6.437 1.00 1.00 C ATOM 1006 O GLY A 96 -1.454 -2.677 -6.943 1.00 1.00 O ATOM 0 H GLY A 96 0.017 -5.836 -4.293 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.174 -3.151 -4.743 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.658 -4.277 -5.798 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.081 -4.843 -6.770 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.106 -4.744 -7.795 1.00 1.00 C ATOM 1012 C GLU A 97 -4.233 -3.818 -7.331 1.00 1.00 C ATOM 1013 O GLU A 97 -4.668 -2.914 -8.039 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.649 -6.126 -8.163 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.515 -7.146 -8.283 1.00 1.00 C ATOM 1016 CD GLU A 97 -2.980 -8.398 -9.030 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -2.872 -9.513 -8.499 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -3.469 -8.182 -10.204 1.00 1.00 O ATOM 0 H GLU A 97 -1.988 -5.767 -6.348 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.656 -4.316 -8.691 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.360 -6.455 -7.405 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.192 -6.068 -9.106 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.672 -6.697 -8.808 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.162 -7.421 -7.289 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.700 -4.069 -6.106 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.768 -3.283 -5.521 1.00 1.00 C ATOM 1028 C TYR A 98 -5.455 -1.801 -5.661 1.00 1.00 C ATOM 1029 O TYR A 98 -6.386 -0.999 -5.721 1.00 1.00 O ATOM 1030 CB TYR A 98 -5.932 -3.665 -4.052 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.140 -3.036 -3.398 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -8.426 -3.471 -3.739 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -6.972 -2.020 -2.451 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -9.545 -2.889 -3.132 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -8.092 -1.438 -1.844 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.378 -1.872 -2.184 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.469 -1.305 -1.593 1.00 1.00 O ATOM 0 H TYR A 98 -4.349 -4.814 -5.505 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.703 -3.486 -6.043 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.009 -4.749 -3.973 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.037 -3.368 -3.505 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -8.555 -4.255 -4.470 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -5.980 -1.685 -2.188 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -10.537 -3.224 -3.395 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -7.963 -0.654 -1.113 1.00 1.00 H new ATOM 0 HH TYR A 98 -10.177 -0.617 -0.959 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.173 -1.467 -5.711 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.766 -0.079 -5.844 1.00 1.00 C ATOM 1049 C VAL A 99 -3.501 0.231 -7.319 1.00 1.00 C ATOM 1050 O VAL A 99 -2.659 1.069 -7.639 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.557 0.200 -4.948 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -1.974 1.586 -5.231 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -2.924 0.051 -3.471 1.00 1.00 C ATOM 0 H VAL A 99 -3.403 -2.134 -5.662 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.562 0.586 -5.510 1.00 1.00 H new ATOM 0 HB VAL A 99 -1.790 -0.540 -5.179 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.116 1.759 -4.581 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.657 1.642 -6.273 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -2.732 2.345 -5.041 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.047 0.255 -2.856 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.715 0.757 -3.220 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.271 -0.965 -3.283 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.236 -0.461 -8.177 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.091 -0.270 -9.610 1.00 1.00 C ATOM 1065 C VAL A 100 -5.476 -0.232 -10.258 1.00 1.00 C ATOM 1066 O VAL A 100 -5.596 -0.308 -11.480 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.187 -1.358 -10.194 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.194 -1.314 -11.724 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.763 -1.240 -9.649 1.00 1.00 C ATOM 0 H VAL A 100 -4.934 -1.155 -7.907 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.607 0.684 -9.821 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.584 -2.325 -9.884 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.544 -2.097 -12.113 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -4.209 -1.471 -12.088 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -2.834 -0.342 -12.062 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -1.142 -2.025 -10.080 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.352 -0.266 -9.913 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.779 -1.345 -8.564 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.488 -0.115 -9.410 1.00 1.00 N ATOM 1080 CA ALA A 101 -7.860 -0.066 -9.885 1.00 1.00 C ATOM 1081 C ALA A 101 -8.580 1.114 -9.229 1.00 1.00 C ATOM 1082 O ALA A 101 -9.680 0.959 -8.701 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.548 -1.402 -9.596 1.00 1.00 C ATOM 0 H ALA A 101 -6.385 -0.053 -8.397 1.00 1.00 H new ATOM 0 HA ALA A 101 -7.888 0.089 -10.964 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.578 -1.366 -9.952 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -8.015 -2.204 -10.107 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.542 -1.590 -8.522 1.00 1.00 H new ATOM 1089 N SER A 102 -7.930 2.267 -9.285 1.00 1.00 N ATOM 1090 CA SER A 102 -8.494 3.473 -8.703 1.00 1.00 C ATOM 1091 C SER A 102 -7.542 4.652 -8.915 1.00 1.00 C ATOM 1092 O SER A 102 -7.982 5.776 -9.152 1.00 1.00 O ATOM 1093 CB SER A 102 -8.781 3.284 -7.213 1.00 1.00 C ATOM 1094 OG SER A 102 -10.179 3.256 -6.937 1.00 1.00 O ATOM 0 H SER A 102 -7.018 2.392 -9.725 1.00 1.00 H new ATOM 0 HA SER A 102 -9.439 3.683 -9.203 1.00 1.00 H new ATOM 0 HB2 SER A 102 -8.326 2.355 -6.871 1.00 1.00 H new ATOM 0 HB3 SER A 102 -8.316 4.093 -6.649 1.00 1.00 H new ATOM 0 HG SER A 102 -10.589 2.496 -7.401 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.254 4.354 -8.822 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.235 5.375 -9.000 1.00 1.00 C ATOM 1102 C PHE A 103 -3.848 4.746 -9.143 1.00 1.00 C ATOM 1103 O PHE A 103 -3.023 4.772 -8.233 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.258 6.253 -7.747 1.00 1.00 C ATOM 1105 CG PHE A 103 -5.711 5.520 -6.482 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.197 4.297 -6.183 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.628 6.093 -5.657 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.618 3.618 -5.010 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.049 5.413 -4.483 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.535 4.190 -4.185 1.00 1.00 C ATOM 0 H PHE A 103 -5.893 3.420 -8.626 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.438 5.950 -9.903 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.260 6.659 -7.582 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -5.922 7.100 -7.921 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.469 3.842 -6.838 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.036 7.064 -5.894 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.210 2.647 -4.773 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -7.777 5.867 -3.827 1.00 1.00 H new ATOM 0 HZ PHE A 103 -6.855 3.673 -3.293 1.00 1.00 H new ATOM 1120 N PRO A 104 -3.608 4.172 -10.325 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.365 3.521 -10.677 1.00 1.00 C ATOM 1122 C PRO A 104 -1.198 4.447 -10.369 1.00 1.00 C ATOM 1123 O PRO A 104 -1.127 5.556 -10.894 1.00 1.00 O ATOM 1124 CB PRO A 104 -2.474 3.257 -12.178 1.00 1.00 C ATOM 1125 CG PRO A 104 -3.999 3.074 -12.375 1.00 1.00 C ATOM 1126 CD PRO A 104 -4.556 4.124 -11.416 1.00 1.00 C ATOM 0 HA PRO A 104 -2.195 2.600 -10.119 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.086 4.089 -12.766 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -1.917 2.369 -12.476 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -4.305 3.256 -13.405 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -4.328 2.067 -12.118 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -4.647 5.095 -11.903 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -5.550 3.849 -11.064 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.308 2.742 4.319 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.635 5.602 2.917 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.213 1.337 1.043 1.00 1.00 C HETATM 1138 CHC HEC A 201 -1.073 -0.198 5.483 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.067 4.221 7.317 1.00 1.00 C HETATM 1140 NA HEC A 201 0.858 3.324 2.374 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.312 4.584 2.025 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.408 4.702 0.590 1.00 1.00 C HETATM 1143 C3A HEC A 201 1.015 3.522 0.067 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.671 2.661 1.174 1.00 1.00 C HETATM 1145 CMA HEC A 201 0.934 3.133 -1.381 1.00 1.00 C HETATM 1146 CAA HEC A 201 1.866 5.930 -0.142 1.00 1.00 C HETATM 1147 CBA HEC A 201 3.382 6.100 -0.183 1.00 1.00 C HETATM 1148 CGA HEC A 201 4.087 4.759 -0.036 1.00 1.00 C HETATM 1149 O1A HEC A 201 5.126 4.737 0.658 1.00 1.00 O HETATM 1150 O2A HEC A 201 3.574 3.781 -0.622 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.304 0.943 3.423 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.258 0.558 2.094 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.774 -0.783 1.943 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.131 -1.211 3.172 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.840 -0.140 4.096 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.874 -1.523 0.641 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.720 -2.538 3.553 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.929 -3.739 3.044 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.311 2.115 6.068 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.910 0.914 6.406 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.389 0.960 7.768 1.00 1.00 C HETATM 1162 C3C HEC A 201 -1.084 2.180 8.255 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.413 2.903 7.201 1.00 1.00 C HETATM 1164 CMC HEC A 201 -2.091 -0.167 8.469 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.367 2.726 9.625 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.936 1.804 10.762 1.00 1.00 C HETATM 1167 ND HEC A 201 0.684 4.556 4.952 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.654 4.940 6.281 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.323 6.208 6.452 1.00 1.00 C HETATM 1170 C3D HEC A 201 1.759 6.594 5.234 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.364 5.569 4.297 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.481 6.927 7.760 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.514 7.841 4.875 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.029 7.662 4.846 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.719 8.690 5.732 1.00 1.00 C HETATM 1176 O1D HEC A 201 5.397 9.570 5.159 1.00 1.00 O HETATM 1177 O2D HEC A 201 4.555 8.576 6.966 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.498 7.148 8.175 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.036 6.298 8.456 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.025 7.858 7.600 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -3.004 -0.418 7.930 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.437 -1.039 8.502 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.342 0.137 9.485 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.516 -0.969 -0.044 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.119 -1.626 0.204 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.298 -2.512 0.816 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.243 3.799 -1.899 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 1.922 3.211 -1.835 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.578 2.106 -1.462 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.286 6.657 5.181 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.390 7.759 3.822 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.463 0.854 10.680 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.138 1.629 10.701 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -1.174 2.270 11.718 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.883 -3.709 1.955 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.082 -3.708 3.451 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.420 -4.659 3.361 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 3.674 6.567 -1.124 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 3.698 6.770 0.616 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.180 8.186 3.897 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.264 8.624 5.591 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 1.487 5.894 -1.163 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 1.425 6.808 0.331 1.00 1.00 H new HETATM 0 HHD HEC A 201 -0.028 4.712 8.285 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.401 -1.151 5.898 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.229 0.891 0.049 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.133 6.486 2.519 1.00 1.00 H new HETATM 0 H2D HEC A 201 3.766 9.089 7.240 1.00 1.00 H new HETATM 0 H2A HEC A 201 4.115 2.980 -0.457 1.00 1.00 H new