USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 742 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 Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -2.34! C(o=-2.3!,f=-2.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 9:sc= -1.92 USER MOD Single : A 26 SER OG : rot -26:sc= 0.299 USER MOD Single : A 31 HIS : no HE2:sc= -6.92! C(o=-6.9!,f=-9.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -6.08! K(o=-6.1!,f=-2.6) USER MOD Single : A 38 MET CE :methyl 148:sc= -1.84! (180deg=-5.08!) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 31:sc= 0.413 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.375 K(o=-0.37,f=0.23) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.834 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 15:sc= -1.84! USER MOD Single : A 88 GLN : amide:sc= -2.98 K(o=-3,f=-0.59) USER MOD Single : A 90 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 3 6.140 -1.656 -3.588 1.00 21.05 N ATOM 38 CA ALA A 3 6.933 -1.413 -4.786 1.00 54.04 C ATOM 39 C ALA A 3 6.047 -0.987 -5.953 1.00 4.34 C ATOM 40 O ALA A 3 4.910 -1.436 -6.097 1.00 2.02 O ATOM 41 CB ALA A 3 7.730 -2.656 -5.153 1.00 73.12 C ATOM 0 HA ALA A 3 7.627 -0.600 -4.574 1.00 54.04 H new ATOM 0 HB1 ALA A 3 8.318 -2.460 -6.050 1.00 73.12 H new ATOM 0 HB2 ALA A 3 8.398 -2.916 -4.331 1.00 73.12 H new ATOM 0 HB3 ALA A 3 7.047 -3.484 -5.341 1.00 73.12 H new ATOM 47 N PRO A 4 6.578 -0.098 -6.806 1.00 24.23 N ATOM 48 CA PRO A 4 5.853 0.408 -7.974 1.00 52.34 C ATOM 49 C PRO A 4 5.666 -0.658 -9.048 1.00 63.30 C ATOM 50 O PRO A 4 6.316 -1.704 -9.038 1.00 2.11 O ATOM 51 CB PRO A 4 6.753 1.534 -8.490 1.00 14.31 C ATOM 52 CG PRO A 4 8.118 1.175 -8.015 1.00 3.41 C ATOM 53 CD PRO A 4 7.928 0.480 -6.695 1.00 62.13 C ATOM 0 HA PRO A 4 4.845 0.733 -7.718 1.00 52.34 H new ATOM 0 HB2 PRO A 4 6.717 1.603 -9.577 1.00 14.31 H new ATOM 0 HB3 PRO A 4 6.440 2.502 -8.099 1.00 14.31 H new ATOM 0 HG2 PRO A 4 8.621 0.524 -8.730 1.00 3.41 H new ATOM 0 HG3 PRO A 4 8.738 2.064 -7.902 1.00 3.41 H new ATOM 0 HD2 PRO A 4 8.683 -0.290 -6.534 1.00 62.13 H new ATOM 0 HD3 PRO A 4 8.000 1.177 -5.860 1.00 62.13 H new ATOM 61 N PRO A 5 4.758 -0.391 -9.998 1.00 10.51 N ATOM 62 CA PRO A 5 4.466 -1.315 -11.097 1.00 72.31 C ATOM 63 C PRO A 5 5.618 -1.418 -12.090 1.00 44.23 C ATOM 64 O PRO A 5 6.189 -0.407 -12.500 1.00 21.34 O ATOM 65 CB PRO A 5 3.237 -0.694 -11.766 1.00 61.31 C ATOM 66 CG PRO A 5 3.319 0.756 -11.436 1.00 52.24 C ATOM 67 CD PRO A 5 3.947 0.836 -10.072 1.00 54.13 C ATOM 0 HA PRO A 5 4.306 -2.333 -10.741 1.00 72.31 H new ATOM 0 HB2 PRO A 5 3.249 -0.856 -12.844 1.00 61.31 H new ATOM 0 HB3 PRO A 5 2.315 -1.135 -11.387 1.00 61.31 H new ATOM 0 HG2 PRO A 5 3.918 1.291 -12.173 1.00 52.24 H new ATOM 0 HG3 PRO A 5 2.329 1.213 -11.437 1.00 52.24 H new ATOM 0 HD2 PRO A 5 4.560 1.730 -9.964 1.00 54.13 H new ATOM 0 HD3 PRO A 5 3.194 0.868 -9.284 1.00 54.13 H new ATOM 75 N ALA A 6 5.955 -2.645 -12.474 1.00 42.22 N ATOM 76 CA ALA A 6 7.038 -2.878 -13.422 1.00 21.55 C ATOM 77 C ALA A 6 6.559 -2.699 -14.858 1.00 60.21 C ATOM 78 O ALA A 6 5.447 -3.096 -15.207 1.00 53.13 O ATOM 79 CB ALA A 6 7.618 -4.271 -13.227 1.00 24.44 C ATOM 0 H ALA A 6 5.494 -3.493 -12.143 1.00 42.22 H new ATOM 0 HA ALA A 6 7.818 -2.141 -13.233 1.00 21.55 H new ATOM 0 HB1 ALA A 6 8.426 -4.432 -13.941 1.00 24.44 H new ATOM 0 HB2 ALA A 6 8.006 -4.365 -12.213 1.00 24.44 H new ATOM 0 HB3 ALA A 6 6.838 -5.016 -13.387 1.00 24.44 H new ATOM 85 N THR A 7 7.405 -2.098 -15.689 1.00 23.13 N ATOM 86 CA THR A 7 7.068 -1.864 -17.087 1.00 74.40 C ATOM 87 C THR A 7 7.652 -2.951 -17.983 1.00 12.23 C ATOM 88 O THR A 7 8.681 -2.750 -18.628 1.00 65.24 O ATOM 89 CB THR A 7 7.576 -0.492 -17.566 1.00 41.40 C ATOM 90 OG1 THR A 7 7.184 0.527 -16.639 1.00 32.21 O ATOM 91 CG2 THR A 7 7.030 -0.164 -18.948 1.00 22.23 C ATOM 0 H THR A 7 8.330 -1.764 -15.417 1.00 23.13 H new ATOM 0 HA THR A 7 5.980 -1.885 -17.157 1.00 74.40 H new ATOM 0 HB THR A 7 8.664 -0.532 -17.623 1.00 41.40 H new ATOM 0 HG1 THR A 7 7.513 1.396 -16.950 1.00 32.21 H new ATOM 0 HG21 THR A 7 7.403 0.810 -19.265 1.00 22.23 H new ATOM 0 HG22 THR A 7 7.355 -0.925 -19.658 1.00 22.23 H new ATOM 0 HG23 THR A 7 5.941 -0.142 -18.913 1.00 22.23 H new ATOM 99 N LEU A 8 6.989 -4.101 -18.018 1.00 71.43 N ATOM 100 CA LEU A 8 7.443 -5.221 -18.837 1.00 15.34 C ATOM 101 C LEU A 8 6.972 -5.066 -20.279 1.00 65.15 C ATOM 102 O LEU A 8 5.777 -5.135 -20.563 1.00 1.50 O ATOM 103 CB LEU A 8 6.929 -6.541 -18.260 1.00 11.04 C ATOM 104 CG LEU A 8 7.009 -6.685 -16.739 1.00 73.34 C ATOM 105 CD1 LEU A 8 5.713 -6.223 -16.091 1.00 23.14 C ATOM 106 CD2 LEU A 8 7.315 -8.126 -16.356 1.00 3.42 C ATOM 0 H LEU A 8 6.136 -4.283 -17.490 1.00 71.43 H new ATOM 0 HA LEU A 8 8.533 -5.228 -18.829 1.00 15.34 H new ATOM 0 HB2 LEU A 8 5.889 -6.666 -18.563 1.00 11.04 H new ATOM 0 HB3 LEU A 8 7.493 -7.356 -18.712 1.00 11.04 H new ATOM 0 HG LEU A 8 7.819 -6.053 -16.375 1.00 73.34 H new ATOM 0 HD11 LEU A 8 5.788 -6.333 -15.009 1.00 23.14 H new ATOM 0 HD12 LEU A 8 5.535 -5.176 -16.338 1.00 23.14 H new ATOM 0 HD13 LEU A 8 4.885 -6.829 -16.461 1.00 23.14 H new ATOM 0 HD21 LEU A 8 7.368 -8.210 -15.271 1.00 3.42 H new ATOM 0 HD22 LEU A 8 6.527 -8.778 -16.732 1.00 3.42 H new ATOM 0 HD23 LEU A 8 8.270 -8.423 -16.790 1.00 3.42 H new ATOM 118 N GLU A 9 7.922 -4.859 -21.187 1.00 33.51 N ATOM 119 CA GLU A 9 7.604 -4.697 -22.601 1.00 13.13 C ATOM 120 C GLU A 9 7.464 -6.053 -23.286 1.00 73.03 C ATOM 121 O GLU A 9 7.219 -7.068 -22.634 1.00 41.43 O ATOM 122 CB GLU A 9 8.686 -3.870 -23.298 1.00 10.01 C ATOM 123 CG GLU A 9 9.159 -2.677 -22.484 1.00 62.13 C ATOM 124 CD GLU A 9 8.409 -1.404 -22.825 1.00 33.24 C ATOM 125 OE1 GLU A 9 7.163 -1.407 -22.730 1.00 63.45 O ATOM 126 OE2 GLU A 9 9.066 -0.406 -23.185 1.00 51.40 O ATOM 0 H GLU A 9 8.917 -4.800 -20.968 1.00 33.51 H new ATOM 0 HA GLU A 9 6.652 -4.172 -22.675 1.00 13.13 H new ATOM 0 HB2 GLU A 9 9.539 -4.513 -23.515 1.00 10.01 H new ATOM 0 HB3 GLU A 9 8.302 -3.517 -24.255 1.00 10.01 H new ATOM 0 HG2 GLU A 9 9.035 -2.894 -21.423 1.00 62.13 H new ATOM 0 HG3 GLU A 9 10.224 -2.524 -22.656 1.00 62.13 H new ATOM 133 N ALA A 10 7.620 -6.061 -24.606 1.00 22.10 N ATOM 134 CA ALA A 10 7.513 -7.291 -25.380 1.00 70.34 C ATOM 135 C ALA A 10 8.551 -7.329 -26.497 1.00 73.31 C ATOM 136 O ALA A 10 8.242 -7.039 -27.653 1.00 65.15 O ATOM 137 CB ALA A 10 6.111 -7.433 -25.955 1.00 2.22 C ATOM 0 H ALA A 10 7.821 -5.229 -25.161 1.00 22.10 H new ATOM 0 HA ALA A 10 7.706 -8.130 -24.711 1.00 70.34 H new ATOM 0 HB1 ALA A 10 6.046 -8.356 -26.531 1.00 2.22 H new ATOM 0 HB2 ALA A 10 5.385 -7.460 -25.142 1.00 2.22 H new ATOM 0 HB3 ALA A 10 5.896 -6.584 -26.605 1.00 2.22 H new ATOM 143 N ILE A 11 9.780 -7.688 -26.144 1.00 3.22 N ATOM 144 CA ILE A 11 10.863 -7.764 -27.117 1.00 53.31 C ATOM 145 C ILE A 11 10.677 -8.952 -28.055 1.00 12.05 C ATOM 146 O ILE A 11 9.789 -9.781 -27.855 1.00 35.12 O ATOM 147 CB ILE A 11 12.234 -7.879 -26.426 1.00 22.11 C ATOM 148 CG1 ILE A 11 12.340 -6.868 -25.283 1.00 3.33 C ATOM 149 CG2 ILE A 11 13.354 -7.667 -27.433 1.00 65.43 C ATOM 150 CD1 ILE A 11 12.825 -5.505 -25.725 1.00 5.13 C ATOM 0 H ILE A 11 10.051 -7.931 -25.191 1.00 3.22 H new ATOM 0 HA ILE A 11 10.833 -6.840 -27.695 1.00 53.31 H new ATOM 0 HB ILE A 11 12.331 -8.882 -26.009 1.00 22.11 H new ATOM 0 HG12 ILE A 11 11.363 -6.762 -24.811 1.00 3.33 H new ATOM 0 HG13 ILE A 11 13.019 -7.258 -24.525 1.00 3.33 H new ATOM 0 HG21 ILE A 11 14.317 -7.751 -26.929 1.00 65.43 H new ATOM 0 HG22 ILE A 11 13.287 -8.422 -28.216 1.00 65.43 H new ATOM 0 HG23 ILE A 11 13.262 -6.675 -27.876 1.00 65.43 H new ATOM 0 HD11 ILE A 11 12.876 -4.840 -24.863 1.00 5.13 H new ATOM 0 HD12 ILE A 11 13.815 -5.598 -26.170 1.00 5.13 H new ATOM 0 HD13 ILE A 11 12.134 -5.094 -26.461 1.00 5.13 H new ATOM 162 N HIS A 12 11.522 -9.030 -29.078 1.00 0.44 N ATOM 163 CA HIS A 12 11.453 -10.118 -30.046 1.00 32.55 C ATOM 164 C HIS A 12 11.508 -11.473 -29.345 1.00 2.42 C ATOM 165 O HIS A 12 11.741 -11.566 -28.139 1.00 54.04 O ATOM 166 CB HIS A 12 12.596 -10.006 -31.054 1.00 43.12 C ATOM 167 CG HIS A 12 12.146 -9.624 -32.431 1.00 34.44 C ATOM 168 ND1 HIS A 12 12.946 -9.750 -33.546 1.00 40.34 N ATOM 169 CD2 HIS A 12 10.968 -9.120 -32.869 1.00 5.34 C ATOM 170 CE1 HIS A 12 12.281 -9.337 -34.611 1.00 5.22 C ATOM 171 NE2 HIS A 12 11.078 -8.950 -34.227 1.00 5.32 N ATOM 0 H HIS A 12 12.263 -8.352 -29.258 1.00 0.44 H new ATOM 0 HA HIS A 12 10.503 -10.040 -30.575 1.00 32.55 H new ATOM 0 HB2 HIS A 12 13.313 -9.267 -30.697 1.00 43.12 H new ATOM 0 HB3 HIS A 12 13.120 -10.960 -31.104 1.00 43.12 H new ATOM 0 HD2 HIS A 12 10.103 -8.894 -32.263 1.00 5.34 H new ATOM 0 HE1 HIS A 12 12.657 -9.319 -35.623 1.00 5.22 H new ATOM 0 HE2 HIS A 12 10.349 -8.584 -34.840 1.00 5.32 H new ATOM 179 N PRO A 13 11.289 -12.548 -30.116 1.00 21.01 N ATOM 180 CA PRO A 13 11.309 -13.916 -29.590 1.00 73.32 C ATOM 181 C PRO A 13 12.711 -14.365 -29.193 1.00 40.24 C ATOM 182 O PRO A 13 12.982 -15.560 -29.075 1.00 33.05 O ATOM 183 CB PRO A 13 10.791 -14.754 -30.762 1.00 51.00 C ATOM 184 CG PRO A 13 11.118 -13.952 -31.974 1.00 71.34 C ATOM 185 CD PRO A 13 11.006 -12.511 -31.560 1.00 71.15 C ATOM 0 HA PRO A 13 10.713 -14.012 -28.683 1.00 73.32 H new ATOM 0 HB2 PRO A 13 11.272 -15.732 -30.793 1.00 51.00 H new ATOM 0 HB3 PRO A 13 9.718 -14.929 -30.680 1.00 51.00 H new ATOM 0 HG2 PRO A 13 12.122 -14.178 -32.332 1.00 71.34 H new ATOM 0 HG3 PRO A 13 10.430 -14.178 -32.789 1.00 71.34 H new ATOM 0 HD2 PRO A 13 11.720 -11.883 -32.093 1.00 71.15 H new ATOM 0 HD3 PRO A 13 10.013 -12.110 -31.765 1.00 71.15 H new ATOM 193 N LYS A 14 13.600 -13.399 -28.989 1.00 24.00 N ATOM 194 CA LYS A 14 14.975 -13.694 -28.604 1.00 4.55 C ATOM 195 C LYS A 14 15.346 -12.968 -27.314 1.00 20.53 C ATOM 196 O LYS A 14 16.524 -12.786 -27.009 1.00 51.45 O ATOM 197 CB LYS A 14 15.938 -13.290 -29.723 1.00 1.04 C ATOM 198 CG LYS A 14 16.004 -11.791 -29.957 1.00 50.21 C ATOM 199 CD LYS A 14 17.159 -11.420 -30.873 1.00 15.24 C ATOM 200 CE LYS A 14 16.722 -11.372 -32.329 1.00 30.01 C ATOM 201 NZ LYS A 14 17.282 -12.507 -33.113 1.00 73.42 N ATOM 0 H LYS A 14 13.393 -12.405 -29.084 1.00 24.00 H new ATOM 0 HA LYS A 14 15.056 -14.768 -28.433 1.00 4.55 H new ATOM 0 HB2 LYS A 14 16.936 -13.656 -29.482 1.00 1.04 H new ATOM 0 HB3 LYS A 14 15.634 -13.781 -30.648 1.00 1.04 H new ATOM 0 HG2 LYS A 14 15.066 -11.449 -30.395 1.00 50.21 H new ATOM 0 HG3 LYS A 14 16.116 -11.277 -29.002 1.00 50.21 H new ATOM 0 HD2 LYS A 14 17.560 -10.450 -30.580 1.00 15.24 H new ATOM 0 HD3 LYS A 14 17.964 -12.146 -30.757 1.00 15.24 H new ATOM 0 HE2 LYS A 14 15.634 -11.395 -32.383 1.00 30.01 H new ATOM 0 HE3 LYS A 14 17.043 -10.430 -32.774 1.00 30.01 H new ATOM 0 HZ1 LYS A 14 16.961 -12.439 -34.100 1.00 73.42 H new ATOM 0 HZ2 LYS A 14 18.321 -12.470 -33.083 1.00 73.42 H new ATOM 0 HZ3 LYS A 14 16.955 -13.406 -32.704 1.00 73.42 H new ATOM 215 N GLY A 15 14.332 -12.559 -26.558 1.00 13.42 N ATOM 216 CA GLY A 15 14.572 -11.860 -25.309 1.00 4.40 C ATOM 217 C GLY A 15 13.389 -11.015 -24.880 1.00 31.43 C ATOM 218 O GLY A 15 12.351 -11.004 -25.543 1.00 63.34 O ATOM 0 H GLY A 15 13.348 -12.699 -26.788 1.00 13.42 H new ATOM 0 HA2 GLY A 15 14.798 -12.586 -24.528 1.00 4.40 H new ATOM 0 HA3 GLY A 15 15.450 -11.223 -25.416 1.00 4.40 H new ATOM 222 N LEU A 16 13.542 -10.307 -23.766 1.00 63.52 N ATOM 223 CA LEU A 16 12.477 -9.457 -23.247 1.00 54.14 C ATOM 224 C LEU A 16 13.051 -8.281 -22.464 1.00 20.01 C ATOM 225 O LEU A 16 14.233 -8.270 -22.120 1.00 0.13 O ATOM 226 CB LEU A 16 11.538 -10.270 -22.354 1.00 52.31 C ATOM 227 CG LEU A 16 10.274 -9.552 -21.880 1.00 55.13 C ATOM 228 CD1 LEU A 16 9.502 -8.992 -23.065 1.00 75.41 C ATOM 229 CD2 LEU A 16 9.398 -10.495 -21.068 1.00 13.41 C ATOM 0 H LEU A 16 14.394 -10.305 -23.205 1.00 63.52 H new ATOM 0 HA LEU A 16 11.914 -9.065 -24.094 1.00 54.14 H new ATOM 0 HB2 LEU A 16 11.240 -11.168 -22.896 1.00 52.31 H new ATOM 0 HB3 LEU A 16 12.096 -10.598 -21.477 1.00 52.31 H new ATOM 0 HG LEU A 16 10.570 -8.721 -21.240 1.00 55.13 H new ATOM 0 HD11 LEU A 16 8.606 -8.485 -22.708 1.00 75.41 H new ATOM 0 HD12 LEU A 16 10.129 -8.283 -23.606 1.00 75.41 H new ATOM 0 HD13 LEU A 16 9.217 -9.806 -23.731 1.00 75.41 H new ATOM 0 HD21 LEU A 16 8.503 -9.967 -20.739 1.00 13.41 H new ATOM 0 HD22 LEU A 16 9.111 -11.347 -21.685 1.00 13.41 H new ATOM 0 HD23 LEU A 16 9.952 -10.848 -20.198 1.00 13.41 H new ATOM 241 N ARG A 17 12.206 -7.294 -22.184 1.00 22.12 N ATOM 242 CA ARG A 17 12.630 -6.114 -21.440 1.00 13.02 C ATOM 243 C ARG A 17 11.698 -5.851 -20.261 1.00 34.24 C ATOM 244 O ARG A 17 10.479 -5.986 -20.377 1.00 24.05 O ATOM 245 CB ARG A 17 12.665 -4.891 -22.358 1.00 74.24 C ATOM 246 CG ARG A 17 13.033 -3.602 -21.643 1.00 2.04 C ATOM 247 CD ARG A 17 13.314 -2.478 -22.628 1.00 24.50 C ATOM 248 NE ARG A 17 13.283 -1.167 -21.986 1.00 43.02 N ATOM 249 CZ ARG A 17 13.848 -0.082 -22.504 1.00 5.13 C ATOM 250 NH1 ARG A 17 14.485 -0.152 -23.665 1.00 12.53 N ATOM 251 NH2 ARG A 17 13.777 1.076 -21.860 1.00 2.03 N ATOM 0 H ARG A 17 11.224 -7.288 -22.461 1.00 22.12 H new ATOM 0 HA ARG A 17 13.633 -6.300 -21.055 1.00 13.02 H new ATOM 0 HB2 ARG A 17 13.382 -5.069 -23.159 1.00 74.24 H new ATOM 0 HB3 ARG A 17 11.688 -4.771 -22.826 1.00 74.24 H new ATOM 0 HG2 ARG A 17 12.221 -3.309 -20.978 1.00 2.04 H new ATOM 0 HG3 ARG A 17 13.911 -3.769 -21.020 1.00 2.04 H new ATOM 0 HD2 ARG A 17 14.290 -2.634 -23.087 1.00 24.50 H new ATOM 0 HD3 ARG A 17 12.577 -2.506 -23.430 1.00 24.50 H new ATOM 0 HE ARG A 17 12.801 -1.079 -21.091 1.00 43.02 H new ATOM 0 HH11 ARG A 17 14.542 -1.041 -24.163 1.00 12.53 H new ATOM 0 HH12 ARG A 17 14.918 0.683 -24.060 1.00 12.53 H new ATOM 0 HH21 ARG A 17 13.288 1.134 -20.967 1.00 2.03 H new ATOM 0 HH22 ARG A 17 14.211 1.909 -22.258 1.00 2.03 H new ATOM 265 N VAL A 18 12.279 -5.476 -19.126 1.00 11.14 N ATOM 266 CA VAL A 18 11.501 -5.194 -17.925 1.00 50.42 C ATOM 267 C VAL A 18 12.204 -4.168 -17.043 1.00 51.34 C ATOM 268 O VAL A 18 13.187 -4.481 -16.372 1.00 41.42 O ATOM 269 CB VAL A 18 11.250 -6.473 -17.105 1.00 61.12 C ATOM 270 CG1 VAL A 18 10.633 -6.132 -15.758 1.00 12.53 C ATOM 271 CG2 VAL A 18 10.362 -7.436 -17.879 1.00 41.21 C ATOM 0 H VAL A 18 13.286 -5.360 -19.013 1.00 11.14 H new ATOM 0 HA VAL A 18 10.544 -4.790 -18.256 1.00 50.42 H new ATOM 0 HB VAL A 18 12.207 -6.962 -16.925 1.00 61.12 H new ATOM 0 HG11 VAL A 18 10.463 -7.049 -15.193 1.00 12.53 H new ATOM 0 HG12 VAL A 18 11.309 -5.483 -15.202 1.00 12.53 H new ATOM 0 HG13 VAL A 18 9.683 -5.619 -15.912 1.00 12.53 H new ATOM 0 HG21 VAL A 18 10.195 -8.334 -17.285 1.00 41.21 H new ATOM 0 HG22 VAL A 18 9.406 -6.958 -18.091 1.00 41.21 H new ATOM 0 HG23 VAL A 18 10.849 -7.706 -18.816 1.00 41.21 H new ATOM 281 N SER A 19 11.693 -2.941 -17.050 1.00 14.24 N ATOM 282 CA SER A 19 12.273 -1.867 -16.253 1.00 3.45 C ATOM 283 C SER A 19 11.238 -1.278 -15.299 1.00 4.53 C ATOM 284 O SER A 19 10.035 -1.464 -15.477 1.00 72.55 O ATOM 285 CB SER A 19 12.827 -0.769 -17.163 1.00 60.23 C ATOM 286 OG SER A 19 13.574 0.180 -16.422 1.00 64.33 O ATOM 0 H SER A 19 10.878 -2.666 -17.599 1.00 14.24 H new ATOM 0 HA SER A 19 13.088 -2.286 -15.663 1.00 3.45 H new ATOM 0 HB2 SER A 19 13.459 -1.214 -17.931 1.00 60.23 H new ATOM 0 HB3 SER A 19 12.006 -0.269 -17.676 1.00 60.23 H new ATOM 0 HG SER A 19 13.702 -0.147 -15.507 1.00 64.33 H new ATOM 292 N VAL A 20 11.717 -0.564 -14.284 1.00 34.41 N ATOM 293 CA VAL A 20 10.834 0.054 -13.301 1.00 64.13 C ATOM 294 C VAL A 20 11.332 1.441 -12.912 1.00 3.22 C ATOM 295 O VAL A 20 12.528 1.731 -12.945 1.00 64.25 O ATOM 296 CB VAL A 20 10.714 -0.811 -12.033 1.00 33.14 C ATOM 297 CG1 VAL A 20 10.400 -2.254 -12.398 1.00 21.12 C ATOM 298 CG2 VAL A 20 11.989 -0.726 -11.207 1.00 73.42 C ATOM 0 H VAL A 20 12.710 -0.400 -14.121 1.00 34.41 H new ATOM 0 HA VAL A 20 9.852 0.141 -13.766 1.00 64.13 H new ATOM 0 HB VAL A 20 9.891 -0.427 -11.429 1.00 33.14 H new ATOM 0 HG11 VAL A 20 10.319 -2.850 -11.489 1.00 21.12 H new ATOM 0 HG12 VAL A 20 9.457 -2.294 -12.944 1.00 21.12 H new ATOM 0 HG13 VAL A 20 11.199 -2.653 -13.023 1.00 21.12 H new ATOM 0 HG21 VAL A 20 11.886 -1.343 -10.315 1.00 73.42 H new ATOM 0 HG22 VAL A 20 12.831 -1.083 -11.800 1.00 73.42 H new ATOM 0 HG23 VAL A 20 12.164 0.309 -10.914 1.00 73.42 H new ATOM 308 N PRO A 21 10.394 2.321 -12.532 1.00 41.41 N ATOM 309 CA PRO A 21 10.714 3.694 -12.127 1.00 74.44 C ATOM 310 C PRO A 21 11.445 3.748 -10.791 1.00 4.33 C ATOM 311 O PRO A 21 10.941 3.266 -9.776 1.00 45.12 O ATOM 312 CB PRO A 21 9.340 4.359 -12.012 1.00 73.54 C ATOM 313 CG PRO A 21 8.398 3.237 -11.737 1.00 1.41 C ATOM 314 CD PRO A 21 8.949 2.045 -12.468 1.00 62.41 C ATOM 0 HA PRO A 21 11.382 4.183 -12.836 1.00 74.44 H new ATOM 0 HB2 PRO A 21 9.323 5.096 -11.209 1.00 73.54 H new ATOM 0 HB3 PRO A 21 9.075 4.882 -12.931 1.00 73.54 H new ATOM 0 HG2 PRO A 21 8.327 3.040 -10.667 1.00 1.41 H new ATOM 0 HG3 PRO A 21 7.393 3.477 -12.084 1.00 1.41 H new ATOM 0 HD2 PRO A 21 8.741 1.116 -11.937 1.00 62.41 H new ATOM 0 HD3 PRO A 21 8.514 1.948 -13.463 1.00 62.41 H new ATOM 322 N ASP A 22 12.635 4.338 -10.797 1.00 5.51 N ATOM 323 CA ASP A 22 13.436 4.458 -9.584 1.00 22.51 C ATOM 324 C ASP A 22 13.004 5.669 -8.764 1.00 41.43 C ATOM 325 O ASP A 22 12.710 6.729 -9.315 1.00 54.52 O ATOM 326 CB ASP A 22 14.921 4.567 -9.936 1.00 14.22 C ATOM 327 CG ASP A 22 15.784 4.852 -8.722 1.00 72.14 C ATOM 328 OD1 ASP A 22 16.161 3.888 -8.024 1.00 11.21 O ATOM 329 OD2 ASP A 22 16.081 6.039 -8.471 1.00 24.42 O ATOM 0 H ASP A 22 13.067 4.741 -11.629 1.00 5.51 H new ATOM 0 HA ASP A 22 13.278 3.562 -8.984 1.00 22.51 H new ATOM 0 HB2 ASP A 22 15.250 3.638 -10.402 1.00 14.22 H new ATOM 0 HB3 ASP A 22 15.060 5.360 -10.671 1.00 14.22 H new ATOM 334 N GLU A 23 12.968 5.503 -7.446 1.00 10.52 N ATOM 335 CA GLU A 23 12.570 6.584 -6.551 1.00 73.02 C ATOM 336 C GLU A 23 13.486 6.647 -5.332 1.00 74.42 C ATOM 337 O GLU A 23 13.188 7.328 -4.353 1.00 15.54 O ATOM 338 CB GLU A 23 11.119 6.397 -6.103 1.00 74.54 C ATOM 339 CG GLU A 23 10.124 7.227 -6.897 1.00 45.24 C ATOM 340 CD GLU A 23 10.203 8.705 -6.566 1.00 60.11 C ATOM 341 OE1 GLU A 23 9.962 9.063 -5.394 1.00 54.23 O ATOM 342 OE2 GLU A 23 10.505 9.503 -7.478 1.00 24.41 O ATOM 0 H GLU A 23 13.209 4.631 -6.974 1.00 10.52 H new ATOM 0 HA GLU A 23 12.656 7.523 -7.097 1.00 73.02 H new ATOM 0 HB2 GLU A 23 10.853 5.344 -6.192 1.00 74.54 H new ATOM 0 HB3 GLU A 23 11.037 6.658 -5.048 1.00 74.54 H new ATOM 0 HG2 GLU A 23 10.307 7.087 -7.962 1.00 45.24 H new ATOM 0 HG3 GLU A 23 9.115 6.867 -6.697 1.00 45.24 H new ATOM 349 N GLY A 24 14.603 5.929 -5.401 1.00 33.41 N ATOM 350 CA GLY A 24 15.545 5.915 -4.297 1.00 51.23 C ATOM 351 C GLY A 24 16.052 4.521 -3.985 1.00 1.41 C ATOM 352 O GLY A 24 16.816 4.328 -3.039 1.00 44.51 O ATOM 0 H GLY A 24 14.872 5.357 -6.201 1.00 33.41 H new ATOM 0 HA2 GLY A 24 16.390 6.560 -4.536 1.00 51.23 H new ATOM 0 HA3 GLY A 24 15.067 6.331 -3.410 1.00 51.23 H new ATOM 356 N PHE A 25 15.625 3.546 -4.780 1.00 42.01 N ATOM 357 CA PHE A 25 16.039 2.162 -4.582 1.00 31.20 C ATOM 358 C PHE A 25 17.558 2.033 -4.651 1.00 32.04 C ATOM 359 O PHE A 25 18.241 2.901 -5.193 1.00 3.20 O ATOM 360 CB PHE A 25 15.391 1.258 -5.633 1.00 41.22 C ATOM 361 CG PHE A 25 13.890 1.310 -5.625 1.00 61.21 C ATOM 362 CD1 PHE A 25 13.163 0.557 -4.717 1.00 13.40 C ATOM 363 CD2 PHE A 25 13.206 2.111 -6.525 1.00 44.12 C ATOM 364 CE1 PHE A 25 11.781 0.603 -4.708 1.00 64.51 C ATOM 365 CE2 PHE A 25 11.825 2.161 -6.521 1.00 20.33 C ATOM 366 CZ PHE A 25 11.112 1.406 -5.610 1.00 52.12 C ATOM 0 H PHE A 25 14.992 3.689 -5.567 1.00 42.01 H new ATOM 0 HA PHE A 25 15.710 1.849 -3.591 1.00 31.20 H new ATOM 0 HB2 PHE A 25 15.751 1.546 -6.621 1.00 41.22 H new ATOM 0 HB3 PHE A 25 15.712 0.230 -5.464 1.00 41.22 H new ATOM 0 HD1 PHE A 25 13.681 -0.073 -4.009 1.00 13.40 H new ATOM 0 HD2 PHE A 25 13.759 2.704 -7.239 1.00 44.12 H new ATOM 0 HE1 PHE A 25 11.225 0.011 -3.996 1.00 64.51 H new ATOM 0 HE2 PHE A 25 11.304 2.789 -7.229 1.00 20.33 H new ATOM 0 HZ PHE A 25 10.033 1.444 -5.603 1.00 52.12 H new ATOM 376 N SER A 26 18.079 0.943 -4.096 1.00 11.21 N ATOM 377 CA SER A 26 19.517 0.702 -4.090 1.00 30.34 C ATOM 378 C SER A 26 19.835 -0.700 -4.601 1.00 73.02 C ATOM 379 O SER A 26 20.998 -1.054 -4.796 1.00 44.33 O ATOM 380 CB SER A 26 20.080 0.881 -2.678 1.00 55.53 C ATOM 381 OG SER A 26 21.495 0.820 -2.682 1.00 2.01 O ATOM 0 H SER A 26 17.527 0.213 -3.645 1.00 11.21 H new ATOM 0 HA SER A 26 19.984 1.428 -4.755 1.00 30.34 H new ATOM 0 HB2 SER A 26 19.755 1.839 -2.272 1.00 55.53 H new ATOM 0 HB3 SER A 26 19.681 0.106 -2.023 1.00 55.53 H new ATOM 0 HG SER A 26 21.797 0.291 -3.449 1.00 2.01 H new ATOM 387 N LEU A 27 18.792 -1.495 -4.817 1.00 1.53 N ATOM 388 CA LEU A 27 18.958 -2.859 -5.306 1.00 0.20 C ATOM 389 C LEU A 27 17.681 -3.356 -5.976 1.00 42.02 C ATOM 390 O LEU A 27 16.575 -3.083 -5.509 1.00 44.41 O ATOM 391 CB LEU A 27 19.340 -3.791 -4.155 1.00 71.42 C ATOM 392 CG LEU A 27 18.930 -5.256 -4.314 1.00 15.24 C ATOM 393 CD1 LEU A 27 17.421 -5.403 -4.192 1.00 72.53 C ATOM 394 CD2 LEU A 27 19.415 -5.805 -5.647 1.00 45.31 C ATOM 0 H LEU A 27 17.823 -1.218 -4.661 1.00 1.53 H new ATOM 0 HA LEU A 27 19.758 -2.859 -6.046 1.00 0.20 H new ATOM 0 HB2 LEU A 27 20.421 -3.749 -4.024 1.00 71.42 H new ATOM 0 HB3 LEU A 27 18.892 -3.406 -3.239 1.00 71.42 H new ATOM 0 HG LEU A 27 19.397 -5.833 -3.516 1.00 15.24 H new ATOM 0 HD11 LEU A 27 17.147 -6.452 -4.308 1.00 72.53 H new ATOM 0 HD12 LEU A 27 17.099 -5.050 -3.212 1.00 72.53 H new ATOM 0 HD13 LEU A 27 16.934 -4.813 -4.968 1.00 72.53 H new ATOM 0 HD21 LEU A 27 19.114 -6.848 -5.742 1.00 45.31 H new ATOM 0 HD22 LEU A 27 18.978 -5.226 -6.460 1.00 45.31 H new ATOM 0 HD23 LEU A 27 20.502 -5.735 -5.696 1.00 45.31 H new ATOM 406 N PHE A 28 17.842 -4.090 -7.073 1.00 13.54 N ATOM 407 CA PHE A 28 16.702 -4.626 -7.807 1.00 31.52 C ATOM 408 C PHE A 28 16.962 -6.067 -8.237 1.00 32.31 C ATOM 409 O PHE A 28 18.095 -6.441 -8.539 1.00 34.31 O ATOM 410 CB PHE A 28 16.405 -3.762 -9.034 1.00 2.22 C ATOM 411 CG PHE A 28 15.221 -4.234 -9.828 1.00 20.01 C ATOM 412 CD1 PHE A 28 14.037 -4.574 -9.194 1.00 74.44 C ATOM 413 CD2 PHE A 28 15.292 -4.337 -11.208 1.00 30.13 C ATOM 414 CE1 PHE A 28 12.946 -5.010 -9.923 1.00 11.02 C ATOM 415 CE2 PHE A 28 14.204 -4.772 -11.941 1.00 42.35 C ATOM 416 CZ PHE A 28 13.029 -5.108 -11.298 1.00 43.50 C ATOM 0 H PHE A 28 18.750 -4.327 -7.472 1.00 13.54 H new ATOM 0 HA PHE A 28 15.837 -4.613 -7.144 1.00 31.52 H new ATOM 0 HB2 PHE A 28 16.230 -2.736 -8.712 1.00 2.22 H new ATOM 0 HB3 PHE A 28 17.283 -3.748 -9.680 1.00 2.22 H new ATOM 0 HD1 PHE A 28 13.965 -4.498 -8.119 1.00 74.44 H new ATOM 0 HD2 PHE A 28 16.208 -4.074 -11.717 1.00 30.13 H new ATOM 0 HE1 PHE A 28 12.029 -5.274 -9.417 1.00 11.02 H new ATOM 0 HE2 PHE A 28 14.273 -4.849 -13.016 1.00 42.35 H new ATOM 0 HZ PHE A 28 12.177 -5.447 -11.869 1.00 43.50 H new ATOM 426 N ALA A 29 15.904 -6.871 -8.261 1.00 72.21 N ATOM 427 CA ALA A 29 16.016 -8.270 -8.655 1.00 62.11 C ATOM 428 C ALA A 29 14.958 -8.636 -9.690 1.00 14.30 C ATOM 429 O ALA A 29 13.972 -7.919 -9.864 1.00 74.20 O ATOM 430 CB ALA A 29 15.899 -9.173 -7.436 1.00 2.21 C ATOM 0 H ALA A 29 14.959 -6.577 -8.012 1.00 72.21 H new ATOM 0 HA ALA A 29 16.996 -8.416 -9.109 1.00 62.11 H new ATOM 0 HB1 ALA A 29 15.984 -10.215 -7.745 1.00 2.21 H new ATOM 0 HB2 ALA A 29 16.696 -8.937 -6.731 1.00 2.21 H new ATOM 0 HB3 ALA A 29 14.933 -9.015 -6.957 1.00 2.21 H new ATOM 436 N PHE A 30 15.168 -9.755 -10.375 1.00 44.43 N ATOM 437 CA PHE A 30 14.233 -10.214 -11.395 1.00 33.41 C ATOM 438 C PHE A 30 14.200 -11.739 -11.456 1.00 3.34 C ATOM 439 O PHE A 30 15.174 -12.376 -11.859 1.00 74.14 O ATOM 440 CB PHE A 30 14.616 -9.646 -12.763 1.00 22.32 C ATOM 441 CG PHE A 30 13.652 -10.011 -13.855 1.00 60.22 C ATOM 442 CD1 PHE A 30 13.503 -11.330 -14.254 1.00 2.21 C ATOM 443 CD2 PHE A 30 12.894 -9.036 -14.483 1.00 2.22 C ATOM 444 CE1 PHE A 30 12.617 -11.668 -15.259 1.00 63.04 C ATOM 445 CE2 PHE A 30 12.006 -9.368 -15.489 1.00 22.23 C ATOM 446 CZ PHE A 30 11.867 -10.686 -15.877 1.00 20.34 C ATOM 0 H PHE A 30 15.978 -10.361 -10.242 1.00 44.43 H new ATOM 0 HA PHE A 30 13.239 -9.856 -11.127 1.00 33.41 H new ATOM 0 HB2 PHE A 30 14.678 -8.560 -12.692 1.00 22.32 H new ATOM 0 HB3 PHE A 30 15.610 -10.005 -13.031 1.00 22.32 H new ATOM 0 HD1 PHE A 30 14.086 -12.102 -13.774 1.00 2.21 H new ATOM 0 HD2 PHE A 30 12.998 -8.004 -14.183 1.00 2.22 H new ATOM 0 HE1 PHE A 30 12.511 -12.699 -15.561 1.00 63.04 H new ATOM 0 HE2 PHE A 30 11.422 -8.598 -15.971 1.00 22.23 H new ATOM 0 HZ PHE A 30 11.173 -10.949 -16.662 1.00 20.34 H new ATOM 456 N HIS A 31 13.074 -12.317 -11.051 1.00 21.43 N ATOM 457 CA HIS A 31 12.914 -13.767 -11.059 1.00 32.13 C ATOM 458 C HIS A 31 11.483 -14.153 -11.420 1.00 73.53 C ATOM 459 O HIS A 31 10.615 -14.244 -10.552 1.00 44.55 O ATOM 460 CB HIS A 31 13.282 -14.350 -9.694 1.00 3.31 C ATOM 461 CG HIS A 31 14.418 -15.325 -9.746 1.00 35.22 C ATOM 462 ND1 HIS A 31 14.302 -16.587 -10.291 1.00 14.44 N ATOM 463 CD2 HIS A 31 15.697 -15.218 -9.318 1.00 44.25 C ATOM 464 CE1 HIS A 31 15.460 -17.214 -10.195 1.00 4.45 C ATOM 465 NE2 HIS A 31 16.325 -16.404 -9.609 1.00 35.43 N ATOM 0 H HIS A 31 12.259 -11.804 -10.713 1.00 21.43 H new ATOM 0 HA HIS A 31 13.585 -14.177 -11.814 1.00 32.13 H new ATOM 0 HB2 HIS A 31 13.544 -13.535 -9.019 1.00 3.31 H new ATOM 0 HB3 HIS A 31 12.408 -14.845 -9.272 1.00 3.31 H new ATOM 0 HD1 HIS A 31 13.454 -16.975 -10.704 1.00 14.44 H new ATOM 0 HD2 HIS A 31 16.141 -14.359 -8.837 1.00 44.25 H new ATOM 0 HE1 HIS A 31 15.666 -18.218 -10.537 1.00 4.45 H new ATOM 473 N GLY A 32 11.243 -14.380 -12.708 1.00 63.15 N ATOM 474 CA GLY A 32 9.916 -14.753 -13.162 1.00 2.11 C ATOM 475 C GLY A 32 9.953 -15.711 -14.336 1.00 55.22 C ATOM 476 O GLY A 32 11.026 -16.099 -14.797 1.00 71.54 O ATOM 0 H GLY A 32 11.944 -14.312 -13.445 1.00 63.15 H new ATOM 0 HA2 GLY A 32 9.370 -15.213 -12.339 1.00 2.11 H new ATOM 0 HA3 GLY A 32 9.367 -13.855 -13.447 1.00 2.11 H new ATOM 480 N LYS A 33 8.777 -16.095 -14.821 1.00 54.42 N ATOM 481 CA LYS A 33 8.676 -17.014 -15.949 1.00 5.42 C ATOM 482 C LYS A 33 7.647 -16.523 -16.961 1.00 54.51 C ATOM 483 O LYS A 33 7.239 -15.361 -16.933 1.00 54.43 O ATOM 484 CB LYS A 33 8.299 -18.414 -15.460 1.00 4.10 C ATOM 485 CG LYS A 33 8.997 -18.817 -14.172 1.00 71.03 C ATOM 486 CD LYS A 33 8.052 -19.544 -13.230 1.00 51.13 C ATOM 487 CE LYS A 33 7.606 -20.878 -13.808 1.00 75.05 C ATOM 488 NZ LYS A 33 8.229 -22.028 -13.096 1.00 14.31 N ATOM 0 H LYS A 33 7.879 -15.784 -14.450 1.00 54.42 H new ATOM 0 HA LYS A 33 9.649 -17.056 -16.439 1.00 5.42 H new ATOM 0 HB2 LYS A 33 7.221 -18.459 -15.308 1.00 4.10 H new ATOM 0 HB3 LYS A 33 8.542 -19.139 -16.237 1.00 4.10 H new ATOM 0 HG2 LYS A 33 9.847 -19.459 -14.403 1.00 71.03 H new ATOM 0 HG3 LYS A 33 9.393 -17.929 -13.678 1.00 71.03 H new ATOM 0 HD2 LYS A 33 8.546 -19.708 -12.272 1.00 51.13 H new ATOM 0 HD3 LYS A 33 7.179 -18.920 -13.036 1.00 51.13 H new ATOM 0 HE2 LYS A 33 6.521 -20.957 -13.744 1.00 75.05 H new ATOM 0 HE3 LYS A 33 7.867 -20.921 -14.865 1.00 75.05 H new ATOM 0 HZ1 LYS A 33 7.899 -22.919 -13.520 1.00 14.31 H new ATOM 0 HZ2 LYS A 33 9.264 -21.968 -13.178 1.00 14.31 H new ATOM 0 HZ3 LYS A 33 7.959 -22.002 -12.092 1.00 14.31 H new ATOM 502 N LEU A 34 7.229 -17.414 -17.853 1.00 31.00 N ATOM 503 CA LEU A 34 6.245 -17.072 -18.874 1.00 14.32 C ATOM 504 C LEU A 34 5.306 -18.244 -19.140 1.00 70.12 C ATOM 505 O LEU A 34 5.716 -19.403 -19.093 1.00 32.02 O ATOM 506 CB LEU A 34 6.946 -16.661 -20.170 1.00 4.15 C ATOM 507 CG LEU A 34 6.049 -16.087 -21.266 1.00 54.12 C ATOM 508 CD1 LEU A 34 6.249 -14.584 -21.388 1.00 62.42 C ATOM 509 CD2 LEU A 34 6.325 -16.774 -22.596 1.00 4.53 C ATOM 0 H LEU A 34 7.556 -18.379 -17.890 1.00 31.00 H new ATOM 0 HA LEU A 34 5.654 -16.233 -18.506 1.00 14.32 H new ATOM 0 HB2 LEU A 34 7.709 -15.921 -19.928 1.00 4.15 H new ATOM 0 HB3 LEU A 34 7.464 -17.532 -20.571 1.00 4.15 H new ATOM 0 HG LEU A 34 5.010 -16.273 -20.993 1.00 54.12 H new ATOM 0 HD11 LEU A 34 5.602 -14.193 -22.173 1.00 62.42 H new ATOM 0 HD12 LEU A 34 5.999 -14.106 -20.441 1.00 62.42 H new ATOM 0 HD13 LEU A 34 7.289 -14.374 -21.637 1.00 62.42 H new ATOM 0 HD21 LEU A 34 5.677 -16.352 -23.365 1.00 4.53 H new ATOM 0 HD22 LEU A 34 7.367 -16.620 -22.876 1.00 4.53 H new ATOM 0 HD23 LEU A 34 6.128 -17.842 -22.502 1.00 4.53 H new ATOM 521 N ASN A 35 4.045 -17.934 -19.422 1.00 52.53 N ATOM 522 CA ASN A 35 3.048 -18.962 -19.698 1.00 51.42 C ATOM 523 C ASN A 35 2.930 -19.933 -18.527 1.00 55.34 C ATOM 524 O ASN A 35 2.310 -20.989 -18.645 1.00 73.04 O ATOM 525 CB ASN A 35 3.411 -19.725 -20.974 1.00 3.34 C ATOM 526 CG ASN A 35 3.714 -18.798 -22.135 1.00 70.13 C ATOM 527 OD1 ASN A 35 4.212 -19.230 -23.175 1.00 23.22 O ATOM 528 ND2 ASN A 35 3.413 -17.516 -21.963 1.00 64.12 N ATOM 0 H ASN A 35 3.689 -16.979 -19.465 1.00 52.53 H new ATOM 0 HA ASN A 35 2.085 -18.471 -19.838 1.00 51.42 H new ATOM 0 HB2 ASN A 35 4.278 -20.358 -20.782 1.00 3.34 H new ATOM 0 HB3 ASN A 35 2.588 -20.386 -21.246 1.00 3.34 H new ATOM 0 HD21 ASN A 35 3.593 -16.845 -22.710 1.00 64.12 H new ATOM 0 HD22 ASN A 35 3.001 -17.202 -21.084 1.00 64.12 H new ATOM 535 N GLU A 36 3.528 -19.566 -17.398 1.00 40.25 N ATOM 536 CA GLU A 36 3.489 -20.405 -16.207 1.00 24.14 C ATOM 537 C GLU A 36 3.716 -19.573 -14.948 1.00 2.03 C ATOM 538 O GLU A 36 4.659 -18.785 -14.874 1.00 73.40 O ATOM 539 CB GLU A 36 4.545 -21.509 -16.299 1.00 1.13 C ATOM 540 CG GLU A 36 4.514 -22.479 -15.130 1.00 64.40 C ATOM 541 CD GLU A 36 3.900 -23.816 -15.498 1.00 30.13 C ATOM 542 OE1 GLU A 36 4.119 -24.277 -16.637 1.00 65.31 O ATOM 543 OE2 GLU A 36 3.199 -24.401 -14.645 1.00 5.00 O ATOM 0 H GLU A 36 4.045 -18.694 -17.284 1.00 40.25 H new ATOM 0 HA GLU A 36 2.501 -20.861 -16.147 1.00 24.14 H new ATOM 0 HB2 GLU A 36 4.398 -22.064 -17.225 1.00 1.13 H new ATOM 0 HB3 GLU A 36 5.533 -21.052 -16.355 1.00 1.13 H new ATOM 0 HG2 GLU A 36 5.529 -22.637 -14.767 1.00 64.40 H new ATOM 0 HG3 GLU A 36 3.948 -22.037 -14.310 1.00 64.40 H new ATOM 550 N GLU A 37 2.844 -19.754 -13.961 1.00 25.34 N ATOM 551 CA GLU A 37 2.949 -19.019 -12.706 1.00 30.35 C ATOM 552 C GLU A 37 3.542 -19.898 -11.608 1.00 33.41 C ATOM 553 O GLU A 37 3.276 -21.099 -11.548 1.00 42.55 O ATOM 554 CB GLU A 37 1.574 -18.504 -12.275 1.00 2.04 C ATOM 555 CG GLU A 37 0.580 -19.610 -11.962 1.00 2.21 C ATOM 556 CD GLU A 37 -0.526 -19.154 -11.030 1.00 41.23 C ATOM 557 OE1 GLU A 37 -0.954 -17.986 -11.144 1.00 32.44 O ATOM 558 OE2 GLU A 37 -0.963 -19.965 -10.188 1.00 32.43 O ATOM 0 H GLU A 37 2.058 -20.402 -14.006 1.00 25.34 H new ATOM 0 HA GLU A 37 3.614 -18.170 -12.866 1.00 30.35 H new ATOM 0 HB2 GLU A 37 1.692 -17.873 -11.394 1.00 2.04 H new ATOM 0 HB3 GLU A 37 1.167 -17.874 -13.066 1.00 2.04 H new ATOM 0 HG2 GLU A 37 0.141 -19.972 -12.891 1.00 2.21 H new ATOM 0 HG3 GLU A 37 1.107 -20.450 -11.510 1.00 2.21 H new ATOM 565 N MET A 38 4.346 -19.291 -10.742 1.00 22.23 N ATOM 566 CA MET A 38 4.976 -20.018 -9.646 1.00 24.13 C ATOM 567 C MET A 38 4.129 -19.936 -8.380 1.00 54.32 C ATOM 568 O MET A 38 3.137 -19.209 -8.334 1.00 12.12 O ATOM 569 CB MET A 38 6.375 -19.461 -9.374 1.00 21.33 C ATOM 570 CG MET A 38 6.406 -17.950 -9.210 1.00 25.41 C ATOM 571 SD MET A 38 6.881 -17.097 -10.726 1.00 25.14 S ATOM 572 CE MET A 38 8.621 -16.801 -10.417 1.00 13.15 C ATOM 0 H MET A 38 4.577 -18.298 -10.778 1.00 22.23 H new ATOM 0 HA MET A 38 5.059 -21.065 -9.939 1.00 24.13 H new ATOM 0 HB2 MET A 38 6.772 -19.925 -8.471 1.00 21.33 H new ATOM 0 HB3 MET A 38 7.035 -19.743 -10.194 1.00 21.33 H new ATOM 0 HG2 MET A 38 5.422 -17.602 -8.895 1.00 25.41 H new ATOM 0 HG3 MET A 38 7.106 -17.689 -8.416 1.00 25.41 H new ATOM 0 HE1 MET A 38 9.167 -16.827 -11.360 1.00 13.15 H new ATOM 0 HE2 MET A 38 8.747 -15.824 -9.951 1.00 13.15 H new ATOM 0 HE3 MET A 38 9.009 -17.572 -9.752 1.00 13.15 H new ATOM 648 N GLY A 44 11.406 -18.823 -10.315 1.00 65.12 N ATOM 649 CA GLY A 44 10.890 -19.402 -11.541 1.00 73.14 C ATOM 650 C GLY A 44 11.991 -19.796 -12.506 1.00 30.24 C ATOM 651 O GLY A 44 12.801 -20.675 -12.209 1.00 32.21 O ATOM 0 HA2 GLY A 44 10.291 -20.280 -11.300 1.00 73.14 H new ATOM 0 HA3 GLY A 44 10.226 -18.686 -12.025 1.00 73.14 H new ATOM 655 N HIS A 45 12.021 -19.146 -13.665 1.00 23.04 N ATOM 656 CA HIS A 45 13.031 -19.434 -14.677 1.00 23.43 C ATOM 657 C HIS A 45 14.108 -18.353 -14.694 1.00 33.34 C ATOM 658 O HIS A 45 15.269 -18.616 -14.382 1.00 44.13 O ATOM 659 CB HIS A 45 12.383 -19.547 -16.057 1.00 1.31 C ATOM 660 CG HIS A 45 12.763 -20.792 -16.797 1.00 74.13 C ATOM 661 ND1 HIS A 45 12.259 -22.037 -16.484 1.00 52.12 N ATOM 662 CD2 HIS A 45 13.601 -20.979 -17.843 1.00 70.44 C ATOM 663 CE1 HIS A 45 12.772 -22.936 -17.304 1.00 63.34 C ATOM 664 NE2 HIS A 45 13.590 -22.320 -18.139 1.00 74.33 N ATOM 0 H HIS A 45 11.358 -18.417 -13.927 1.00 23.04 H new ATOM 0 HA HIS A 45 13.500 -20.385 -14.426 1.00 23.43 H new ATOM 0 HB2 HIS A 45 11.299 -19.518 -15.944 1.00 1.31 H new ATOM 0 HB3 HIS A 45 12.665 -18.679 -16.654 1.00 1.31 H new ATOM 0 HD2 HIS A 45 14.172 -20.216 -18.351 1.00 70.44 H new ATOM 0 HE1 HIS A 45 12.559 -23.995 -17.294 1.00 63.34 H new ATOM 0 HE2 HIS A 45 14.126 -22.768 -18.882 1.00 74.33 H new ATOM 672 N TRP A 46 13.714 -17.139 -15.059 1.00 73.05 N ATOM 673 CA TRP A 46 14.646 -16.018 -15.118 1.00 35.54 C ATOM 674 C TRP A 46 15.305 -15.788 -13.762 1.00 51.14 C ATOM 675 O TRP A 46 14.809 -16.248 -12.734 1.00 53.11 O ATOM 676 CB TRP A 46 13.921 -14.749 -15.569 1.00 22.11 C ATOM 677 CG TRP A 46 13.386 -14.836 -16.966 1.00 52.51 C ATOM 678 CD1 TRP A 46 14.073 -15.211 -18.085 1.00 54.12 C ATOM 679 CD2 TRP A 46 12.052 -14.539 -17.392 1.00 53.44 C ATOM 680 NE1 TRP A 46 13.246 -15.165 -19.182 1.00 32.13 N ATOM 681 CE2 TRP A 46 12.001 -14.757 -18.783 1.00 54.52 C ATOM 682 CE3 TRP A 46 10.895 -14.112 -16.735 1.00 11.13 C ATOM 683 CZ2 TRP A 46 10.839 -14.560 -19.525 1.00 34.52 C ATOM 684 CZ3 TRP A 46 9.743 -13.918 -17.472 1.00 54.53 C ATOM 685 CH2 TRP A 46 9.721 -14.142 -18.855 1.00 71.42 C ATOM 0 H TRP A 46 12.756 -16.905 -15.319 1.00 73.05 H new ATOM 0 HA TRP A 46 15.423 -16.260 -15.843 1.00 35.54 H new ATOM 0 HB2 TRP A 46 13.098 -14.547 -14.884 1.00 22.11 H new ATOM 0 HB3 TRP A 46 14.606 -13.904 -15.502 1.00 22.11 H new ATOM 0 HD1 TRP A 46 15.113 -15.501 -18.105 1.00 54.12 H new ATOM 0 HE1 TRP A 46 13.516 -15.397 -20.138 1.00 32.13 H new ATOM 0 HE3 TRP A 46 10.901 -13.937 -15.669 1.00 11.13 H new ATOM 0 HZ2 TRP A 46 10.821 -14.731 -20.591 1.00 34.52 H new ATOM 0 HZ3 TRP A 46 8.844 -13.588 -16.974 1.00 54.53 H new ATOM 0 HH2 TRP A 46 8.804 -13.982 -19.403 1.00 71.42 H new ATOM 696 N SER A 47 16.425 -15.073 -13.768 1.00 44.11 N ATOM 697 CA SER A 47 17.154 -14.785 -12.539 1.00 5.54 C ATOM 698 C SER A 47 18.209 -13.707 -12.772 1.00 52.13 C ATOM 699 O SER A 47 19.087 -13.856 -13.622 1.00 25.54 O ATOM 700 CB SER A 47 17.818 -16.055 -12.004 1.00 35.40 C ATOM 701 OG SER A 47 18.797 -16.538 -12.907 1.00 60.20 O ATOM 0 H SER A 47 16.847 -14.683 -14.610 1.00 44.11 H new ATOM 0 HA SER A 47 16.440 -14.418 -11.801 1.00 5.54 H new ATOM 0 HB2 SER A 47 18.280 -15.849 -11.038 1.00 35.40 H new ATOM 0 HB3 SER A 47 17.062 -16.822 -11.838 1.00 35.40 H new ATOM 0 HG SER A 47 19.200 -15.784 -13.386 1.00 60.20 H new ATOM 707 N ARG A 48 18.114 -12.621 -12.012 1.00 42.34 N ATOM 708 CA ARG A 48 19.058 -11.517 -12.137 1.00 3.34 C ATOM 709 C ARG A 48 18.917 -10.546 -10.968 1.00 32.34 C ATOM 710 O ARG A 48 17.860 -10.462 -10.342 1.00 53.13 O ATOM 711 CB ARG A 48 18.839 -10.776 -13.457 1.00 61.42 C ATOM 712 CG ARG A 48 20.129 -10.348 -14.137 1.00 4.44 C ATOM 713 CD ARG A 48 20.264 -8.833 -14.171 1.00 23.30 C ATOM 714 NE ARG A 48 21.310 -8.398 -15.092 1.00 44.23 N ATOM 715 CZ ARG A 48 22.598 -8.345 -14.770 1.00 40.11 C ATOM 716 NH1 ARG A 48 22.996 -8.699 -13.556 1.00 1.30 N ATOM 717 NH2 ARG A 48 23.491 -7.938 -15.664 1.00 14.34 N ATOM 0 H ARG A 48 17.393 -12.482 -11.304 1.00 42.34 H new ATOM 0 HA ARG A 48 20.066 -11.932 -12.124 1.00 3.34 H new ATOM 0 HB2 ARG A 48 18.277 -11.418 -14.135 1.00 61.42 H new ATOM 0 HB3 ARG A 48 18.226 -9.894 -13.271 1.00 61.42 H new ATOM 0 HG2 ARG A 48 20.980 -10.779 -13.609 1.00 4.44 H new ATOM 0 HG3 ARG A 48 20.153 -10.740 -15.154 1.00 4.44 H new ATOM 0 HD2 ARG A 48 19.313 -8.391 -14.468 1.00 23.30 H new ATOM 0 HD3 ARG A 48 20.487 -8.466 -13.169 1.00 23.30 H new ATOM 0 HE ARG A 48 21.037 -8.119 -16.034 1.00 44.23 H new ATOM 0 HH11 ARG A 48 22.313 -9.013 -12.867 1.00 1.30 H new ATOM 0 HH12 ARG A 48 23.985 -8.657 -13.311 1.00 1.30 H new ATOM 0 HH21 ARG A 48 23.189 -7.666 -16.599 1.00 14.34 H new ATOM 0 HH22 ARG A 48 24.479 -7.898 -15.416 1.00 14.34 H new ATOM 731 N ASP A 49 19.989 -9.817 -10.678 1.00 54.22 N ATOM 732 CA ASP A 49 19.984 -8.852 -9.585 1.00 3.22 C ATOM 733 C ASP A 49 20.758 -7.594 -9.967 1.00 25.11 C ATOM 734 O ASP A 49 21.990 -7.588 -9.969 1.00 72.45 O ATOM 735 CB ASP A 49 20.588 -9.474 -8.325 1.00 31.13 C ATOM 736 CG ASP A 49 21.418 -8.485 -7.531 1.00 44.42 C ATOM 737 OD1 ASP A 49 20.970 -7.331 -7.369 1.00 3.44 O ATOM 738 OD2 ASP A 49 22.517 -8.864 -7.073 1.00 71.14 O ATOM 0 H ASP A 49 20.872 -9.876 -11.185 1.00 54.22 H new ATOM 0 HA ASP A 49 18.950 -8.573 -9.384 1.00 3.22 H new ATOM 0 HB2 ASP A 49 19.787 -9.860 -7.694 1.00 31.13 H new ATOM 0 HB3 ASP A 49 21.211 -10.324 -8.606 1.00 31.13 H new ATOM 743 N ILE A 50 20.029 -6.532 -10.290 1.00 52.20 N ATOM 744 CA ILE A 50 20.647 -5.269 -10.674 1.00 2.13 C ATOM 745 C ILE A 50 21.085 -4.476 -9.447 1.00 11.01 C ATOM 746 O ILE A 50 20.260 -4.077 -8.624 1.00 51.45 O ATOM 747 CB ILE A 50 19.689 -4.405 -11.514 1.00 55.02 C ATOM 748 CG1 ILE A 50 19.122 -5.219 -12.679 1.00 63.15 C ATOM 749 CG2 ILE A 50 20.405 -3.164 -12.026 1.00 73.34 C ATOM 750 CD1 ILE A 50 20.167 -5.630 -13.693 1.00 70.04 C ATOM 0 H ILE A 50 19.009 -6.521 -10.294 1.00 52.20 H new ATOM 0 HA ILE A 50 21.522 -5.516 -11.276 1.00 2.13 H new ATOM 0 HB ILE A 50 18.861 -4.087 -10.881 1.00 55.02 H new ATOM 0 HG12 ILE A 50 18.638 -6.113 -12.286 1.00 63.15 H new ATOM 0 HG13 ILE A 50 18.351 -4.633 -13.180 1.00 63.15 H new ATOM 0 HG21 ILE A 50 19.714 -2.564 -12.618 1.00 73.34 H new ATOM 0 HG22 ILE A 50 20.764 -2.576 -11.181 1.00 73.34 H new ATOM 0 HG23 ILE A 50 21.250 -3.462 -12.646 1.00 73.34 H new ATOM 0 HD11 ILE A 50 19.694 -6.204 -14.490 1.00 70.04 H new ATOM 0 HD12 ILE A 50 20.635 -4.740 -14.114 1.00 70.04 H new ATOM 0 HD13 ILE A 50 20.925 -6.243 -13.206 1.00 70.04 H new ATOM 762 N THR A 51 22.390 -4.249 -9.330 1.00 73.11 N ATOM 763 CA THR A 51 22.938 -3.503 -8.205 1.00 20.25 C ATOM 764 C THR A 51 23.215 -2.054 -8.588 1.00 22.10 C ATOM 765 O THR A 51 24.149 -1.434 -8.079 1.00 41.21 O ATOM 766 CB THR A 51 24.240 -4.143 -7.687 1.00 71.41 C ATOM 767 OG1 THR A 51 25.165 -4.312 -8.767 1.00 25.55 O ATOM 768 CG2 THR A 51 23.960 -5.490 -7.037 1.00 53.10 C ATOM 0 H THR A 51 23.087 -4.572 -10.001 1.00 73.11 H new ATOM 0 HA THR A 51 22.189 -3.530 -7.414 1.00 20.25 H new ATOM 0 HB THR A 51 24.673 -3.479 -6.938 1.00 71.41 H new ATOM 0 HG1 THR A 51 25.991 -4.718 -8.430 1.00 25.55 H new ATOM 0 HG21 THR A 51 24.894 -5.922 -6.679 1.00 53.10 H new ATOM 0 HG22 THR A 51 23.278 -5.354 -6.198 1.00 53.10 H new ATOM 0 HG23 THR A 51 23.507 -6.160 -7.768 1.00 53.10 H new ATOM 776 N LYS A 52 22.398 -1.518 -9.488 1.00 73.41 N ATOM 777 CA LYS A 52 22.553 -0.141 -9.939 1.00 51.42 C ATOM 778 C LYS A 52 21.601 0.165 -11.091 1.00 14.31 C ATOM 779 O LYS A 52 21.445 -0.621 -12.025 1.00 64.14 O ATOM 780 CB LYS A 52 23.997 0.115 -10.376 1.00 41.20 C ATOM 781 CG LYS A 52 24.783 0.976 -9.403 1.00 4.23 C ATOM 782 CD LYS A 52 25.783 1.863 -10.125 1.00 43.42 C ATOM 783 CE LYS A 52 25.841 3.253 -9.511 1.00 0.53 C ATOM 784 NZ LYS A 52 27.243 3.697 -9.273 1.00 15.11 N ATOM 0 H LYS A 52 21.621 -2.018 -9.920 1.00 73.41 H new ATOM 0 HA LYS A 52 22.310 0.517 -9.105 1.00 51.42 H new ATOM 0 HB2 LYS A 52 24.507 -0.841 -10.496 1.00 41.20 H new ATOM 0 HB3 LYS A 52 23.992 0.598 -11.353 1.00 41.20 H new ATOM 0 HG2 LYS A 52 24.096 1.595 -8.827 1.00 4.23 H new ATOM 0 HG3 LYS A 52 25.308 0.337 -8.693 1.00 4.23 H new ATOM 0 HD2 LYS A 52 26.771 1.405 -10.086 1.00 43.42 H new ATOM 0 HD3 LYS A 52 25.509 1.940 -11.177 1.00 43.42 H new ATOM 0 HE2 LYS A 52 25.343 3.963 -10.171 1.00 0.53 H new ATOM 0 HE3 LYS A 52 25.294 3.257 -8.568 1.00 0.53 H new ATOM 0 HZ1 LYS A 52 27.239 4.649 -8.854 1.00 15.11 H new ATOM 0 HZ2 LYS A 52 27.711 3.034 -8.623 1.00 15.11 H new ATOM 0 HZ3 LYS A 52 27.758 3.718 -10.176 1.00 15.11 H new ATOM 798 N PRO A 53 20.948 1.335 -11.025 1.00 50.34 N ATOM 799 CA PRO A 53 20.001 1.773 -12.056 1.00 24.42 C ATOM 800 C PRO A 53 20.694 2.120 -13.369 1.00 50.40 C ATOM 801 O PRO A 53 21.919 2.233 -13.426 1.00 53.34 O ATOM 802 CB PRO A 53 19.361 3.020 -11.442 1.00 54.04 C ATOM 803 CG PRO A 53 20.376 3.533 -10.480 1.00 54.23 C ATOM 804 CD PRO A 53 21.084 2.322 -9.941 1.00 23.24 C ATOM 0 HA PRO A 53 19.285 0.992 -12.311 1.00 24.42 H new ATOM 0 HB2 PRO A 53 19.129 3.762 -12.206 1.00 54.04 H new ATOM 0 HB3 PRO A 53 18.425 2.777 -10.938 1.00 54.04 H new ATOM 0 HG2 PRO A 53 21.076 4.207 -10.974 1.00 54.23 H new ATOM 0 HG3 PRO A 53 19.902 4.098 -9.677 1.00 54.23 H new ATOM 0 HD2 PRO A 53 22.130 2.534 -9.720 1.00 23.24 H new ATOM 0 HD3 PRO A 53 20.628 1.968 -9.016 1.00 23.24 H new ATOM 812 N LYS A 54 19.903 2.290 -14.423 1.00 32.10 N ATOM 813 CA LYS A 54 20.439 2.627 -15.736 1.00 71.04 C ATOM 814 C LYS A 54 19.529 3.616 -16.458 1.00 1.11 C ATOM 815 O LYS A 54 18.404 3.283 -16.828 1.00 65.45 O ATOM 816 CB LYS A 54 20.607 1.362 -16.581 1.00 53.14 C ATOM 817 CG LYS A 54 21.281 1.610 -17.920 1.00 21.34 C ATOM 818 CD LYS A 54 20.397 1.179 -19.078 1.00 30.11 C ATOM 819 CE LYS A 54 20.510 -0.315 -19.340 1.00 21.24 C ATOM 820 NZ LYS A 54 21.477 -0.615 -20.431 1.00 62.45 N ATOM 0 H LYS A 54 18.887 2.200 -14.393 1.00 32.10 H new ATOM 0 HA LYS A 54 21.414 3.094 -15.594 1.00 71.04 H new ATOM 0 HB2 LYS A 54 21.192 0.634 -16.018 1.00 53.14 H new ATOM 0 HB3 LYS A 54 19.627 0.918 -16.754 1.00 53.14 H new ATOM 0 HG2 LYS A 54 21.519 2.669 -18.018 1.00 21.34 H new ATOM 0 HG3 LYS A 54 22.225 1.066 -17.960 1.00 21.34 H new ATOM 0 HD2 LYS A 54 19.360 1.434 -18.860 1.00 30.11 H new ATOM 0 HD3 LYS A 54 20.678 1.729 -19.976 1.00 30.11 H new ATOM 0 HE2 LYS A 54 20.824 -0.821 -18.427 1.00 21.24 H new ATOM 0 HE3 LYS A 54 19.530 -0.713 -19.604 1.00 21.24 H new ATOM 0 HZ1 LYS A 54 21.525 -1.643 -20.579 1.00 62.45 H new ATOM 0 HZ2 LYS A 54 21.164 -0.153 -21.309 1.00 62.45 H new ATOM 0 HZ3 LYS A 54 22.418 -0.258 -20.169 1.00 62.45 H new ATOM 834 N ASN A 55 20.024 4.834 -16.655 1.00 24.41 N ATOM 835 CA ASN A 55 19.256 5.871 -17.333 1.00 72.13 C ATOM 836 C ASN A 55 18.223 6.485 -16.393 1.00 72.04 C ATOM 837 O ASN A 55 17.181 6.972 -16.831 1.00 63.24 O ATOM 838 CB ASN A 55 18.559 5.294 -18.567 1.00 64.15 C ATOM 839 CG ASN A 55 18.840 6.101 -19.820 1.00 41.51 C ATOM 840 OD1 ASN A 55 19.833 5.872 -20.510 1.00 42.04 O ATOM 841 ND2 ASN A 55 17.964 7.053 -20.119 1.00 13.42 N ATOM 0 H ASN A 55 20.954 5.127 -16.354 1.00 24.41 H new ATOM 0 HA ASN A 55 19.947 6.654 -17.646 1.00 72.13 H new ATOM 0 HB2 ASN A 55 18.888 4.266 -18.719 1.00 64.15 H new ATOM 0 HB3 ASN A 55 17.484 5.262 -18.392 1.00 64.15 H new ATOM 0 HD21 ASN A 55 18.101 7.629 -20.949 1.00 13.42 H new ATOM 0 HD22 ASN A 55 17.154 7.208 -19.518 1.00 13.42 H new ATOM 848 N GLY A 56 18.520 6.459 -15.098 1.00 31.45 N ATOM 849 CA GLY A 56 17.608 7.016 -14.116 1.00 31.01 C ATOM 850 C GLY A 56 16.673 5.974 -13.536 1.00 32.54 C ATOM 851 O GLY A 56 16.187 6.122 -12.414 1.00 73.53 O ATOM 0 H GLY A 56 19.376 6.062 -14.711 1.00 31.45 H new ATOM 0 HA2 GLY A 56 18.182 7.473 -13.310 1.00 31.01 H new ATOM 0 HA3 GLY A 56 17.021 7.809 -14.579 1.00 31.01 H new ATOM 855 N ARG A 57 16.419 4.917 -14.301 1.00 10.10 N ATOM 856 CA ARG A 57 15.533 3.847 -13.857 1.00 44.32 C ATOM 857 C ARG A 57 16.208 2.487 -14.006 1.00 75.51 C ATOM 858 O ARG A 57 17.187 2.345 -14.739 1.00 35.12 O ATOM 859 CB ARG A 57 14.229 3.872 -14.656 1.00 12.23 C ATOM 860 CG ARG A 57 13.980 5.188 -15.375 1.00 32.11 C ATOM 861 CD ARG A 57 14.459 5.134 -16.817 1.00 23.00 C ATOM 862 NE ARG A 57 14.308 6.420 -17.493 1.00 33.23 N ATOM 863 CZ ARG A 57 14.327 6.563 -18.813 1.00 71.22 C ATOM 864 NH1 ARG A 57 14.490 5.505 -19.596 1.00 21.14 N ATOM 865 NH2 ARG A 57 14.182 7.766 -19.354 1.00 3.04 N ATOM 0 H ARG A 57 16.814 4.779 -15.231 1.00 10.10 H new ATOM 0 HA ARG A 57 15.308 4.008 -12.803 1.00 44.32 H new ATOM 0 HB2 ARG A 57 14.246 3.065 -15.389 1.00 12.23 H new ATOM 0 HB3 ARG A 57 13.396 3.673 -13.982 1.00 12.23 H new ATOM 0 HG2 ARG A 57 12.915 5.420 -15.353 1.00 32.11 H new ATOM 0 HG3 ARG A 57 14.493 5.994 -14.850 1.00 32.11 H new ATOM 0 HD2 ARG A 57 15.506 4.833 -16.840 1.00 23.00 H new ATOM 0 HD3 ARG A 57 13.897 4.372 -17.357 1.00 23.00 H new ATOM 0 HE ARG A 57 14.181 7.254 -16.920 1.00 33.23 H new ATOM 0 HH11 ARG A 57 14.601 4.578 -19.185 1.00 21.14 H new ATOM 0 HH12 ARG A 57 14.504 5.618 -20.610 1.00 21.14 H new ATOM 0 HH21 ARG A 57 14.056 8.582 -18.756 1.00 3.04 H new ATOM 0 HH22 ARG A 57 14.197 7.874 -20.368 1.00 3.04 H new ATOM 879 N TRP A 58 15.677 1.490 -13.306 1.00 43.15 N ATOM 880 CA TRP A 58 16.228 0.141 -13.361 1.00 22.35 C ATOM 881 C TRP A 58 15.717 -0.607 -14.587 1.00 33.54 C ATOM 882 O TRP A 58 14.590 -1.104 -14.596 1.00 52.35 O ATOM 883 CB TRP A 58 15.868 -0.631 -12.090 1.00 12.21 C ATOM 884 CG TRP A 58 16.082 0.159 -10.834 1.00 41.34 C ATOM 885 CD1 TRP A 58 15.268 1.132 -10.329 1.00 54.11 C ATOM 886 CD2 TRP A 58 17.184 0.045 -9.927 1.00 71.43 C ATOM 887 NE1 TRP A 58 15.797 1.629 -9.162 1.00 53.25 N ATOM 888 CE2 TRP A 58 16.971 0.978 -8.894 1.00 25.01 C ATOM 889 CE3 TRP A 58 18.328 -0.757 -9.886 1.00 52.13 C ATOM 890 CZ2 TRP A 58 17.862 1.130 -7.834 1.00 51.44 C ATOM 891 CZ3 TRP A 58 19.211 -0.604 -8.834 1.00 73.22 C ATOM 892 CH2 TRP A 58 18.974 0.333 -7.820 1.00 33.34 C ATOM 0 H TRP A 58 14.867 1.591 -12.695 1.00 43.15 H new ATOM 0 HA TRP A 58 17.313 0.221 -13.434 1.00 22.35 H new ATOM 0 HB2 TRP A 58 14.824 -0.938 -12.144 1.00 12.21 H new ATOM 0 HB3 TRP A 58 16.466 -1.541 -12.045 1.00 12.21 H new ATOM 0 HD1 TRP A 58 14.344 1.462 -10.780 1.00 54.11 H new ATOM 0 HE1 TRP A 58 15.382 2.364 -8.589 1.00 53.25 H new ATOM 0 HE3 TRP A 58 18.518 -1.483 -10.662 1.00 52.13 H new ATOM 0 HZ2 TRP A 58 17.681 1.851 -7.051 1.00 51.44 H new ATOM 0 HZ3 TRP A 58 20.099 -1.217 -8.793 1.00 73.22 H new ATOM 0 HH2 TRP A 58 19.683 0.428 -7.011 1.00 33.34 H new ATOM 903 N ILE A 59 16.551 -0.685 -15.618 1.00 10.12 N ATOM 904 CA ILE A 59 16.182 -1.374 -16.848 1.00 61.21 C ATOM 905 C ILE A 59 16.896 -2.717 -16.961 1.00 33.11 C ATOM 906 O ILE A 59 18.078 -2.833 -16.638 1.00 42.04 O ATOM 907 CB ILE A 59 16.511 -0.525 -18.090 1.00 4.42 C ATOM 908 CG1 ILE A 59 15.918 0.879 -17.947 1.00 24.54 C ATOM 909 CG2 ILE A 59 15.988 -1.201 -19.348 1.00 41.11 C ATOM 910 CD1 ILE A 59 16.535 1.894 -18.884 1.00 32.54 C ATOM 0 H ILE A 59 17.487 -0.280 -15.626 1.00 10.12 H new ATOM 0 HA ILE A 59 15.105 -1.539 -16.806 1.00 61.21 H new ATOM 0 HB ILE A 59 17.594 -0.435 -18.173 1.00 4.42 H new ATOM 0 HG12 ILE A 59 14.845 0.832 -18.131 1.00 24.54 H new ATOM 0 HG13 ILE A 59 16.050 1.218 -16.919 1.00 24.54 H new ATOM 0 HG21 ILE A 59 16.228 -0.589 -20.217 1.00 41.11 H new ATOM 0 HG22 ILE A 59 16.453 -2.181 -19.455 1.00 41.11 H new ATOM 0 HG23 ILE A 59 14.907 -1.319 -19.275 1.00 41.11 H new ATOM 0 HD11 ILE A 59 16.067 2.866 -18.727 1.00 32.54 H new ATOM 0 HD12 ILE A 59 17.604 1.970 -18.685 1.00 32.54 H new ATOM 0 HD13 ILE A 59 16.380 1.578 -19.916 1.00 32.54 H new ATOM 922 N PHE A 60 16.170 -3.730 -17.423 1.00 14.33 N ATOM 923 CA PHE A 60 16.733 -5.066 -17.579 1.00 41.45 C ATOM 924 C PHE A 60 16.330 -5.672 -18.920 1.00 74.12 C ATOM 925 O PHE A 60 15.203 -5.490 -19.382 1.00 41.32 O ATOM 926 CB PHE A 60 16.273 -5.974 -16.437 1.00 42.50 C ATOM 927 CG PHE A 60 16.719 -7.400 -16.588 1.00 43.30 C ATOM 928 CD1 PHE A 60 18.067 -7.716 -16.639 1.00 24.12 C ATOM 929 CD2 PHE A 60 15.791 -8.424 -16.679 1.00 32.13 C ATOM 930 CE1 PHE A 60 18.480 -9.028 -16.779 1.00 4.55 C ATOM 931 CE2 PHE A 60 16.198 -9.738 -16.818 1.00 51.41 C ATOM 932 CZ PHE A 60 17.545 -10.040 -16.867 1.00 53.30 C ATOM 0 H PHE A 60 15.190 -3.651 -17.696 1.00 14.33 H new ATOM 0 HA PHE A 60 17.819 -4.981 -17.550 1.00 41.45 H new ATOM 0 HB2 PHE A 60 16.654 -5.580 -15.495 1.00 42.50 H new ATOM 0 HB3 PHE A 60 15.185 -5.946 -16.377 1.00 42.50 H new ATOM 0 HD1 PHE A 60 18.803 -6.929 -16.569 1.00 24.12 H new ATOM 0 HD2 PHE A 60 14.737 -8.193 -16.641 1.00 32.13 H new ATOM 0 HE1 PHE A 60 19.534 -9.261 -16.820 1.00 4.55 H new ATOM 0 HE2 PHE A 60 15.464 -10.527 -16.888 1.00 51.41 H new ATOM 0 HZ PHE A 60 17.866 -11.066 -16.974 1.00 53.30 H new ATOM 942 N ARG A 61 17.258 -6.394 -19.540 1.00 11.32 N ATOM 943 CA ARG A 61 17.000 -7.026 -20.828 1.00 45.10 C ATOM 944 C ARG A 61 17.490 -8.471 -20.832 1.00 43.00 C ATOM 945 O ARG A 61 18.626 -8.753 -20.450 1.00 2.01 O ATOM 946 CB ARG A 61 17.683 -6.242 -21.950 1.00 51.34 C ATOM 947 CG ARG A 61 17.273 -4.779 -22.008 1.00 73.32 C ATOM 948 CD ARG A 61 18.133 -3.923 -21.092 1.00 41.24 C ATOM 949 NE ARG A 61 18.829 -2.868 -21.824 1.00 42.12 N ATOM 950 CZ ARG A 61 19.985 -3.050 -22.453 1.00 50.43 C ATOM 951 NH1 ARG A 61 20.571 -4.239 -22.440 1.00 52.13 N ATOM 952 NH2 ARG A 61 20.557 -2.040 -23.098 1.00 32.43 N ATOM 0 H ARG A 61 18.195 -6.556 -19.171 1.00 11.32 H new ATOM 0 HA ARG A 61 15.923 -7.025 -20.996 1.00 45.10 H new ATOM 0 HB2 ARG A 61 18.763 -6.303 -21.819 1.00 51.34 H new ATOM 0 HB3 ARG A 61 17.451 -6.714 -22.905 1.00 51.34 H new ATOM 0 HG2 ARG A 61 17.358 -4.416 -23.032 1.00 73.32 H new ATOM 0 HG3 ARG A 61 16.226 -4.682 -21.721 1.00 73.32 H new ATOM 0 HD2 ARG A 61 17.507 -3.476 -20.320 1.00 41.24 H new ATOM 0 HD3 ARG A 61 18.863 -4.554 -20.585 1.00 41.24 H new ATOM 0 HE ARG A 61 18.404 -1.941 -21.854 1.00 42.12 H new ATOM 0 HH11 ARG A 61 20.134 -5.017 -21.946 1.00 52.13 H new ATOM 0 HH12 ARG A 61 21.458 -4.375 -22.924 1.00 52.13 H new ATOM 0 HH21 ARG A 61 20.109 -1.124 -23.111 1.00 32.43 H new ATOM 0 HH22 ARG A 61 21.445 -2.180 -23.581 1.00 32.43 H new ATOM 966 N ASP A 62 16.626 -9.382 -21.266 1.00 0.24 N ATOM 967 CA ASP A 62 16.970 -10.798 -21.320 1.00 4.10 C ATOM 968 C ASP A 62 17.317 -11.219 -22.745 1.00 14.41 C ATOM 969 O ASP A 62 17.304 -10.400 -23.665 1.00 31.44 O ATOM 970 CB ASP A 62 15.813 -11.647 -20.791 1.00 42.32 C ATOM 971 CG ASP A 62 16.151 -12.337 -19.484 1.00 43.52 C ATOM 972 OD1 ASP A 62 17.260 -12.902 -19.382 1.00 33.13 O ATOM 973 OD2 ASP A 62 15.307 -12.312 -18.564 1.00 1.50 O ATOM 0 H ASP A 62 15.682 -9.165 -21.586 1.00 0.24 H new ATOM 0 HA ASP A 62 17.845 -10.958 -20.690 1.00 4.10 H new ATOM 0 HB2 ASP A 62 14.937 -11.014 -20.648 1.00 42.32 H new ATOM 0 HB3 ASP A 62 15.546 -12.397 -21.536 1.00 42.32 H new ATOM 978 N ARG A 63 17.626 -12.499 -22.920 1.00 25.25 N ATOM 979 CA ARG A 63 17.978 -13.028 -24.232 1.00 5.12 C ATOM 980 C ARG A 63 17.464 -14.455 -24.399 1.00 0.31 C ATOM 981 O ARG A 63 17.889 -15.176 -25.300 1.00 75.41 O ATOM 982 CB ARG A 63 19.495 -12.995 -24.428 1.00 42.03 C ATOM 983 CG ARG A 63 19.918 -12.708 -25.860 1.00 33.21 C ATOM 984 CD ARG A 63 21.409 -12.932 -26.056 1.00 71.42 C ATOM 985 NE ARG A 63 22.171 -11.693 -25.926 1.00 75.12 N ATOM 986 CZ ARG A 63 23.497 -11.637 -25.971 1.00 71.45 C ATOM 987 NH1 ARG A 63 24.205 -12.745 -26.143 1.00 72.31 N ATOM 988 NH2 ARG A 63 24.118 -10.472 -25.846 1.00 10.45 N ATOM 0 H ARG A 63 17.640 -13.190 -22.169 1.00 25.25 H new ATOM 0 HA ARG A 63 17.507 -12.400 -24.988 1.00 5.12 H new ATOM 0 HB2 ARG A 63 19.921 -12.235 -23.773 1.00 42.03 H new ATOM 0 HB3 ARG A 63 19.914 -13.953 -24.119 1.00 42.03 H new ATOM 0 HG2 ARG A 63 19.360 -13.350 -26.541 1.00 33.21 H new ATOM 0 HG3 ARG A 63 19.667 -11.678 -26.115 1.00 33.21 H new ATOM 0 HD2 ARG A 63 21.766 -13.656 -25.323 1.00 71.42 H new ATOM 0 HD3 ARG A 63 21.584 -13.363 -27.042 1.00 71.42 H new ATOM 0 HE ARG A 63 21.656 -10.822 -25.793 1.00 75.12 H new ATOM 0 HH11 ARG A 63 23.731 -13.643 -26.241 1.00 72.31 H new ATOM 0 HH12 ARG A 63 25.223 -12.699 -26.177 1.00 72.31 H new ATOM 0 HH21 ARG A 63 23.577 -9.617 -25.715 1.00 10.45 H new ATOM 0 HH22 ARG A 63 25.137 -10.431 -25.881 1.00 10.45 H new ATOM 1002 N ASN A 64 16.547 -14.854 -23.523 1.00 64.12 N ATOM 1003 CA ASN A 64 15.976 -16.195 -23.573 1.00 52.10 C ATOM 1004 C ASN A 64 14.453 -16.141 -23.490 1.00 4.30 C ATOM 1005 O ASN A 64 13.787 -17.174 -23.451 1.00 35.23 O ATOM 1006 CB ASN A 64 16.530 -17.051 -22.432 1.00 52.21 C ATOM 1007 CG ASN A 64 15.982 -16.637 -21.080 1.00 52.21 C ATOM 1008 OD1 ASN A 64 15.227 -17.378 -20.451 1.00 13.25 O ATOM 1009 ND2 ASN A 64 16.361 -15.447 -20.627 1.00 74.24 N ATOM 0 H ASN A 64 16.184 -14.268 -22.771 1.00 64.12 H new ATOM 0 HA ASN A 64 16.255 -16.646 -24.525 1.00 52.10 H new ATOM 0 HB2 ASN A 64 16.286 -18.097 -22.615 1.00 52.21 H new ATOM 0 HB3 ASN A 64 17.617 -16.975 -22.419 1.00 52.21 H new ATOM 0 HD21 ASN A 64 16.024 -15.114 -19.723 1.00 74.24 H new ATOM 0 HD22 ASN A 64 16.989 -14.866 -21.183 1.00 74.24 H new ATOM 1016 N ALA A 65 13.911 -14.928 -23.464 1.00 55.13 N ATOM 1017 CA ALA A 65 12.467 -14.738 -23.389 1.00 22.42 C ATOM 1018 C ALA A 65 11.847 -14.689 -24.781 1.00 15.42 C ATOM 1019 O ALA A 65 11.906 -13.665 -25.461 1.00 44.11 O ATOM 1020 CB ALA A 65 12.141 -13.468 -22.618 1.00 4.23 C ATOM 0 H ALA A 65 14.450 -14.062 -23.494 1.00 55.13 H new ATOM 0 HA ALA A 65 12.040 -15.590 -22.860 1.00 22.42 H new ATOM 0 HB1 ALA A 65 11.060 -13.339 -22.570 1.00 4.23 H new ATOM 0 HB2 ALA A 65 12.543 -13.543 -21.607 1.00 4.23 H new ATOM 0 HB3 ALA A 65 12.587 -12.611 -23.123 1.00 4.23 H new ATOM 1026 N ALA A 66 11.251 -15.801 -25.198 1.00 64.14 N ATOM 1027 CA ALA A 66 10.619 -15.883 -26.509 1.00 33.21 C ATOM 1028 C ALA A 66 9.109 -15.698 -26.402 1.00 52.12 C ATOM 1029 O ALA A 66 8.357 -16.671 -26.336 1.00 33.14 O ATOM 1030 CB ALA A 66 10.944 -17.215 -27.169 1.00 55.13 C ATOM 0 H ALA A 66 11.193 -16.657 -24.647 1.00 64.14 H new ATOM 0 HA ALA A 66 11.015 -15.078 -27.127 1.00 33.21 H new ATOM 0 HB1 ALA A 66 10.466 -17.263 -28.147 1.00 55.13 H new ATOM 0 HB2 ALA A 66 12.023 -17.308 -27.288 1.00 55.13 H new ATOM 0 HB3 ALA A 66 10.576 -18.030 -26.545 1.00 55.13 H new ATOM 1036 N LEU A 67 8.671 -14.444 -26.386 1.00 3.34 N ATOM 1037 CA LEU A 67 7.250 -14.131 -26.286 1.00 51.41 C ATOM 1038 C LEU A 67 6.832 -13.145 -27.373 1.00 1.13 C ATOM 1039 O LEU A 67 7.673 -12.595 -28.084 1.00 41.11 O ATOM 1040 CB LEU A 67 6.930 -13.552 -24.907 1.00 23.04 C ATOM 1041 CG LEU A 67 7.275 -12.077 -24.701 1.00 44.42 C ATOM 1042 CD1 LEU A 67 8.680 -11.782 -25.204 1.00 51.23 C ATOM 1043 CD2 LEU A 67 6.258 -11.188 -25.403 1.00 22.34 C ATOM 0 H LEU A 67 9.280 -13.627 -26.441 1.00 3.34 H new ATOM 0 HA LEU A 67 6.689 -15.056 -26.424 1.00 51.41 H new ATOM 0 HB2 LEU A 67 5.865 -13.685 -24.718 1.00 23.04 H new ATOM 0 HB3 LEU A 67 7.463 -14.137 -24.157 1.00 23.04 H new ATOM 0 HG LEU A 67 7.241 -11.862 -23.633 1.00 44.42 H new ATOM 0 HD11 LEU A 67 8.908 -10.727 -25.049 1.00 51.23 H new ATOM 0 HD12 LEU A 67 9.398 -12.393 -24.657 1.00 51.23 H new ATOM 0 HD13 LEU A 67 8.742 -12.014 -26.267 1.00 51.23 H new ATOM 0 HD21 LEU A 67 6.519 -10.142 -25.246 1.00 22.34 H new ATOM 0 HD22 LEU A 67 6.260 -11.406 -26.471 1.00 22.34 H new ATOM 0 HD23 LEU A 67 5.265 -11.379 -24.996 1.00 22.34 H new ATOM 1055 N LYS A 68 5.528 -12.924 -27.494 1.00 75.43 N ATOM 1056 CA LYS A 68 4.997 -12.002 -28.491 1.00 74.43 C ATOM 1057 C LYS A 68 3.664 -11.416 -28.035 1.00 63.02 C ATOM 1058 O LYS A 68 2.889 -12.077 -27.344 1.00 71.30 O ATOM 1059 CB LYS A 68 4.819 -12.717 -29.833 1.00 51.50 C ATOM 1060 CG LYS A 68 4.037 -14.015 -29.732 1.00 51.33 C ATOM 1061 CD LYS A 68 4.957 -15.224 -29.759 1.00 2.41 C ATOM 1062 CE LYS A 68 4.307 -16.404 -30.465 1.00 41.50 C ATOM 1063 NZ LYS A 68 4.497 -17.674 -29.712 1.00 12.14 N ATOM 0 H LYS A 68 4.818 -13.371 -26.914 1.00 75.43 H new ATOM 0 HA LYS A 68 5.710 -11.187 -28.612 1.00 74.43 H new ATOM 0 HB2 LYS A 68 4.309 -12.048 -30.526 1.00 51.50 H new ATOM 0 HB3 LYS A 68 5.801 -12.926 -30.257 1.00 51.50 H new ATOM 0 HG2 LYS A 68 3.456 -14.020 -28.810 1.00 51.33 H new ATOM 0 HG3 LYS A 68 3.327 -14.078 -30.557 1.00 51.33 H new ATOM 0 HD2 LYS A 68 5.887 -14.964 -30.265 1.00 2.41 H new ATOM 0 HD3 LYS A 68 5.217 -15.507 -28.739 1.00 2.41 H new ATOM 0 HE2 LYS A 68 3.241 -16.211 -30.589 1.00 41.50 H new ATOM 0 HE3 LYS A 68 4.730 -16.507 -31.464 1.00 41.50 H new ATOM 0 HZ1 LYS A 68 4.040 -18.454 -30.226 1.00 12.14 H new ATOM 0 HZ2 LYS A 68 5.513 -17.872 -29.616 1.00 12.14 H new ATOM 0 HZ3 LYS A 68 4.071 -17.585 -28.768 1.00 12.14 H new ATOM 1077 N ILE A 69 3.405 -10.173 -28.427 1.00 71.33 N ATOM 1078 CA ILE A 69 2.165 -9.500 -28.060 1.00 61.15 C ATOM 1079 C ILE A 69 1.020 -10.497 -27.915 1.00 64.15 C ATOM 1080 O ILE A 69 0.612 -11.135 -28.885 1.00 50.41 O ATOM 1081 CB ILE A 69 1.774 -8.434 -29.101 1.00 60.31 C ATOM 1082 CG1 ILE A 69 2.860 -7.360 -29.196 1.00 73.31 C ATOM 1083 CG2 ILE A 69 0.434 -7.810 -28.742 1.00 31.11 C ATOM 1084 CD1 ILE A 69 2.606 -6.164 -28.305 1.00 63.51 C ATOM 0 H ILE A 69 4.037 -9.612 -28.998 1.00 71.33 H new ATOM 0 HA ILE A 69 2.342 -9.012 -27.101 1.00 61.15 H new ATOM 0 HB ILE A 69 1.679 -8.915 -30.074 1.00 60.31 H new ATOM 0 HG12 ILE A 69 3.821 -7.802 -28.932 1.00 73.31 H new ATOM 0 HG13 ILE A 69 2.937 -7.023 -30.230 1.00 73.31 H new ATOM 0 HG21 ILE A 69 0.171 -7.059 -29.487 1.00 31.11 H new ATOM 0 HG22 ILE A 69 -0.334 -8.584 -28.721 1.00 31.11 H new ATOM 0 HG23 ILE A 69 0.503 -7.340 -27.761 1.00 31.11 H new ATOM 0 HD11 ILE A 69 3.415 -5.443 -28.424 1.00 63.51 H new ATOM 0 HD12 ILE A 69 1.661 -5.697 -28.583 1.00 63.51 H new ATOM 0 HD13 ILE A 69 2.559 -6.488 -27.265 1.00 63.51 H new ATOM 1096 N GLY A 70 0.505 -10.625 -26.696 1.00 70.25 N ATOM 1097 CA GLY A 70 -0.589 -11.545 -26.447 1.00 14.13 C ATOM 1098 C GLY A 70 -0.270 -12.543 -25.351 1.00 44.15 C ATOM 1099 O GLY A 70 -1.171 -13.150 -24.773 1.00 1.00 O ATOM 0 H GLY A 70 0.826 -10.108 -25.877 1.00 70.25 H new ATOM 0 HA2 GLY A 70 -1.479 -10.980 -26.171 1.00 14.13 H new ATOM 0 HA3 GLY A 70 -0.824 -12.082 -27.366 1.00 14.13 H new ATOM 1103 N ASP A 71 1.017 -12.714 -25.067 1.00 34.50 N ATOM 1104 CA ASP A 71 1.453 -13.647 -24.034 1.00 45.41 C ATOM 1105 C ASP A 71 1.061 -13.145 -22.648 1.00 74.10 C ATOM 1106 O ASP A 71 0.203 -12.272 -22.512 1.00 4.14 O ATOM 1107 CB ASP A 71 2.968 -13.848 -24.107 1.00 31.53 C ATOM 1108 CG ASP A 71 3.346 -15.280 -24.431 1.00 22.33 C ATOM 1109 OD1 ASP A 71 2.533 -16.186 -24.152 1.00 51.13 O ATOM 1110 OD2 ASP A 71 4.456 -15.495 -24.962 1.00 21.52 O ATOM 0 H ASP A 71 1.775 -12.220 -25.537 1.00 34.50 H new ATOM 0 HA ASP A 71 0.958 -14.602 -24.208 1.00 45.41 H new ATOM 0 HB2 ASP A 71 3.384 -13.185 -24.866 1.00 31.53 H new ATOM 0 HB3 ASP A 71 3.416 -13.563 -23.155 1.00 31.53 H new ATOM 1115 N LYS A 72 1.692 -13.704 -21.621 1.00 42.23 N ATOM 1116 CA LYS A 72 1.410 -13.314 -20.245 1.00 31.31 C ATOM 1117 C LYS A 72 2.607 -13.597 -19.343 1.00 30.31 C ATOM 1118 O LYS A 72 3.540 -14.298 -19.736 1.00 41.01 O ATOM 1119 CB LYS A 72 0.178 -14.059 -19.725 1.00 24.24 C ATOM 1120 CG LYS A 72 -1.102 -13.246 -19.803 1.00 73.53 C ATOM 1121 CD LYS A 72 -2.189 -13.990 -20.561 1.00 72.30 C ATOM 1122 CE LYS A 72 -3.522 -13.261 -20.483 1.00 22.53 C ATOM 1123 NZ LYS A 72 -4.674 -14.203 -20.552 1.00 3.30 N ATOM 0 H LYS A 72 2.403 -14.429 -21.716 1.00 42.23 H new ATOM 0 HA LYS A 72 1.212 -12.242 -20.230 1.00 31.31 H new ATOM 0 HB2 LYS A 72 0.051 -14.978 -20.298 1.00 24.24 H new ATOM 0 HB3 LYS A 72 0.351 -14.351 -18.689 1.00 24.24 H new ATOM 0 HG2 LYS A 72 -1.451 -13.017 -18.796 1.00 73.53 H new ATOM 0 HG3 LYS A 72 -0.900 -12.294 -20.295 1.00 73.53 H new ATOM 0 HD2 LYS A 72 -1.895 -14.102 -21.605 1.00 72.30 H new ATOM 0 HD3 LYS A 72 -2.298 -14.994 -20.151 1.00 72.30 H new ATOM 0 HE2 LYS A 72 -3.572 -12.694 -19.554 1.00 22.53 H new ATOM 0 HE3 LYS A 72 -3.591 -12.542 -21.299 1.00 22.53 H new ATOM 0 HZ1 LYS A 72 -5.564 -13.668 -20.496 1.00 3.30 H new ATOM 0 HZ2 LYS A 72 -4.641 -14.727 -21.450 1.00 3.30 H new ATOM 0 HZ3 LYS A 72 -4.622 -14.873 -19.758 1.00 3.30 H new ATOM 1137 N ILE A 73 2.573 -13.050 -18.133 1.00 14.33 N ATOM 1138 CA ILE A 73 3.654 -13.246 -17.175 1.00 33.20 C ATOM 1139 C ILE A 73 3.122 -13.289 -15.747 1.00 33.04 C ATOM 1140 O ILE A 73 2.151 -12.608 -15.414 1.00 23.33 O ATOM 1141 CB ILE A 73 4.711 -12.132 -17.284 1.00 5.04 C ATOM 1142 CG1 ILE A 73 5.325 -12.116 -18.685 1.00 52.13 C ATOM 1143 CG2 ILE A 73 5.791 -12.322 -16.229 1.00 65.31 C ATOM 1144 CD1 ILE A 73 6.127 -10.868 -18.980 1.00 15.52 C ATOM 0 H ILE A 73 1.808 -12.467 -17.792 1.00 14.33 H new ATOM 0 HA ILE A 73 4.119 -14.202 -17.415 1.00 33.20 H new ATOM 0 HB ILE A 73 4.225 -11.172 -17.110 1.00 5.04 H new ATOM 0 HG12 ILE A 73 5.969 -12.988 -18.800 1.00 52.13 H new ATOM 0 HG13 ILE A 73 4.528 -12.209 -19.423 1.00 52.13 H new ATOM 0 HG21 ILE A 73 6.531 -11.527 -16.319 1.00 65.31 H new ATOM 0 HG22 ILE A 73 5.341 -12.288 -15.237 1.00 65.31 H new ATOM 0 HG23 ILE A 73 6.276 -13.287 -16.375 1.00 65.31 H new ATOM 0 HD11 ILE A 73 6.532 -10.926 -19.990 1.00 15.52 H new ATOM 0 HD12 ILE A 73 5.482 -9.993 -18.897 1.00 15.52 H new ATOM 0 HD13 ILE A 73 6.946 -10.784 -18.265 1.00 15.52 H new ATOM 1156 N TYR A 74 3.764 -14.092 -14.906 1.00 3.12 N ATOM 1157 CA TYR A 74 3.356 -14.224 -13.512 1.00 73.34 C ATOM 1158 C TYR A 74 4.556 -14.519 -12.618 1.00 63.13 C ATOM 1159 O TYR A 74 5.042 -15.649 -12.564 1.00 62.01 O ATOM 1160 CB TYR A 74 2.313 -15.334 -13.368 1.00 64.40 C ATOM 1161 CG TYR A 74 1.397 -15.464 -14.564 1.00 1.12 C ATOM 1162 CD1 TYR A 74 1.784 -16.187 -15.685 1.00 50.34 C ATOM 1163 CD2 TYR A 74 0.144 -14.864 -14.571 1.00 73.03 C ATOM 1164 CE1 TYR A 74 0.950 -16.307 -16.780 1.00 43.23 C ATOM 1165 CE2 TYR A 74 -0.697 -14.980 -15.661 1.00 72.12 C ATOM 1166 CZ TYR A 74 -0.289 -15.702 -16.763 1.00 73.14 C ATOM 1167 OH TYR A 74 -1.123 -15.821 -17.851 1.00 52.45 O ATOM 0 H TYR A 74 4.569 -14.662 -15.165 1.00 3.12 H new ATOM 0 HA TYR A 74 2.916 -13.278 -13.197 1.00 73.34 H new ATOM 0 HB2 TYR A 74 2.825 -16.283 -13.208 1.00 64.40 H new ATOM 0 HB3 TYR A 74 1.711 -15.143 -12.479 1.00 64.40 H new ATOM 0 HD1 TYR A 74 2.753 -16.663 -15.701 1.00 50.34 H new ATOM 0 HD2 TYR A 74 -0.178 -14.297 -13.710 1.00 73.03 H new ATOM 0 HE1 TYR A 74 1.267 -16.872 -17.644 1.00 43.23 H new ATOM 0 HE2 TYR A 74 -1.668 -14.508 -15.650 1.00 72.12 H new ATOM 0 HH TYR A 74 -1.958 -15.337 -17.678 1.00 52.45 H new ATOM 1177 N PHE A 75 5.030 -13.494 -11.917 1.00 55.05 N ATOM 1178 CA PHE A 75 6.173 -13.641 -11.025 1.00 65.21 C ATOM 1179 C PHE A 75 6.222 -12.502 -10.011 1.00 43.01 C ATOM 1180 O PHE A 75 5.223 -11.822 -9.777 1.00 43.13 O ATOM 1181 CB PHE A 75 7.474 -13.678 -11.830 1.00 70.34 C ATOM 1182 CG PHE A 75 7.877 -12.340 -12.380 1.00 3.13 C ATOM 1183 CD1 PHE A 75 6.996 -11.598 -13.150 1.00 31.14 C ATOM 1184 CD2 PHE A 75 9.138 -11.823 -12.126 1.00 34.22 C ATOM 1185 CE1 PHE A 75 7.365 -10.367 -13.657 1.00 10.41 C ATOM 1186 CE2 PHE A 75 9.512 -10.592 -12.630 1.00 42.01 C ATOM 1187 CZ PHE A 75 8.624 -9.862 -13.396 1.00 21.42 C ATOM 0 H PHE A 75 4.639 -12.552 -11.950 1.00 55.05 H new ATOM 0 HA PHE A 75 6.061 -14.581 -10.484 1.00 65.21 H new ATOM 0 HB2 PHE A 75 8.274 -14.057 -11.194 1.00 70.34 H new ATOM 0 HB3 PHE A 75 7.362 -14.382 -12.655 1.00 70.34 H new ATOM 0 HD1 PHE A 75 6.010 -11.986 -13.356 1.00 31.14 H new ATOM 0 HD2 PHE A 75 9.836 -12.389 -11.527 1.00 34.22 H new ATOM 0 HE1 PHE A 75 6.669 -9.800 -14.257 1.00 10.41 H new ATOM 0 HE2 PHE A 75 10.498 -10.201 -12.425 1.00 42.01 H new ATOM 0 HZ PHE A 75 8.913 -8.899 -13.790 1.00 21.42 H new ATOM 1197 N TRP A 76 7.391 -12.301 -9.412 1.00 74.14 N ATOM 1198 CA TRP A 76 7.570 -11.245 -8.423 1.00 3.14 C ATOM 1199 C TRP A 76 8.976 -10.660 -8.500 1.00 41.21 C ATOM 1200 O TRP A 76 9.887 -11.276 -9.054 1.00 20.51 O ATOM 1201 CB TRP A 76 7.306 -11.785 -7.016 1.00 62.33 C ATOM 1202 CG TRP A 76 7.920 -13.131 -6.772 1.00 13.30 C ATOM 1203 CD1 TRP A 76 7.727 -14.265 -7.507 1.00 73.23 C ATOM 1204 CD2 TRP A 76 8.824 -13.482 -5.719 1.00 10.31 C ATOM 1205 NE1 TRP A 76 8.456 -15.301 -6.975 1.00 5.54 N ATOM 1206 CE2 TRP A 76 9.139 -14.846 -5.878 1.00 11.55 C ATOM 1207 CE3 TRP A 76 9.400 -12.777 -4.659 1.00 12.52 C ATOM 1208 CZ2 TRP A 76 10.002 -15.515 -5.015 1.00 4.04 C ATOM 1209 CZ3 TRP A 76 10.256 -13.442 -3.803 1.00 23.50 C ATOM 1210 CH2 TRP A 76 10.552 -14.800 -3.985 1.00 72.12 C ATOM 0 H TRP A 76 8.228 -12.855 -9.594 1.00 74.14 H new ATOM 0 HA TRP A 76 6.854 -10.453 -8.641 1.00 3.14 H new ATOM 0 HB2 TRP A 76 7.696 -11.078 -6.284 1.00 62.33 H new ATOM 0 HB3 TRP A 76 6.230 -11.850 -6.855 1.00 62.33 H new ATOM 0 HD1 TRP A 76 7.094 -14.337 -8.379 1.00 73.23 H new ATOM 0 HE1 TRP A 76 8.484 -16.254 -7.338 1.00 5.54 H new ATOM 0 HE3 TRP A 76 9.180 -11.730 -4.512 1.00 12.52 H new ATOM 0 HZ2 TRP A 76 10.230 -16.562 -5.153 1.00 4.04 H new ATOM 0 HZ3 TRP A 76 10.705 -12.907 -2.979 1.00 23.50 H new ATOM 0 HH2 TRP A 76 11.227 -15.292 -3.300 1.00 72.12 H new ATOM 1221 N THR A 77 9.147 -9.466 -7.941 1.00 43.33 N ATOM 1222 CA THR A 77 10.442 -8.797 -7.948 1.00 63.22 C ATOM 1223 C THR A 77 10.809 -8.295 -6.557 1.00 2.24 C ATOM 1224 O THR A 77 9.943 -8.128 -5.698 1.00 1.05 O ATOM 1225 CB THR A 77 10.457 -7.611 -8.930 1.00 52.43 C ATOM 1226 OG1 THR A 77 9.203 -6.920 -8.883 1.00 62.32 O ATOM 1227 CG2 THR A 77 10.726 -8.086 -10.350 1.00 24.41 C ATOM 0 H THR A 77 8.404 -8.942 -7.478 1.00 43.33 H new ATOM 0 HA THR A 77 11.177 -9.535 -8.270 1.00 63.22 H new ATOM 0 HB THR A 77 11.257 -6.933 -8.633 1.00 52.43 H new ATOM 0 HG1 THR A 77 9.221 -6.166 -9.509 1.00 62.32 H new ATOM 0 HG21 THR A 77 10.732 -7.230 -11.025 1.00 24.41 H new ATOM 0 HG22 THR A 77 11.694 -8.586 -10.389 1.00 24.41 H new ATOM 0 HG23 THR A 77 9.945 -8.783 -10.655 1.00 24.41 H new ATOM 1235 N PHE A 78 12.098 -8.054 -6.340 1.00 61.31 N ATOM 1236 CA PHE A 78 12.580 -7.571 -5.051 1.00 54.44 C ATOM 1237 C PHE A 78 13.350 -6.264 -5.214 1.00 42.34 C ATOM 1238 O PHE A 78 14.028 -6.051 -6.220 1.00 11.32 O ATOM 1239 CB PHE A 78 13.472 -8.623 -4.389 1.00 13.41 C ATOM 1240 CG PHE A 78 13.006 -9.026 -3.019 1.00 64.30 C ATOM 1241 CD1 PHE A 78 12.023 -9.989 -2.863 1.00 33.41 C ATOM 1242 CD2 PHE A 78 13.553 -8.442 -1.887 1.00 75.24 C ATOM 1243 CE1 PHE A 78 11.593 -10.364 -1.604 1.00 15.53 C ATOM 1244 CE2 PHE A 78 13.127 -8.812 -0.626 1.00 33.52 C ATOM 1245 CZ PHE A 78 12.145 -9.773 -0.484 1.00 33.42 C ATOM 0 H PHE A 78 12.828 -8.185 -7.040 1.00 61.31 H new ATOM 0 HA PHE A 78 11.715 -7.386 -4.414 1.00 54.44 H new ATOM 0 HB2 PHE A 78 13.512 -9.507 -5.025 1.00 13.41 H new ATOM 0 HB3 PHE A 78 14.488 -8.235 -4.319 1.00 13.41 H new ATOM 0 HD1 PHE A 78 11.587 -10.453 -3.736 1.00 33.41 H new ATOM 0 HD2 PHE A 78 14.321 -7.690 -1.992 1.00 75.24 H new ATOM 0 HE1 PHE A 78 10.827 -11.118 -1.496 1.00 15.53 H new ATOM 0 HE2 PHE A 78 13.561 -8.350 0.248 1.00 33.52 H new ATOM 0 HZ PHE A 78 11.809 -10.062 0.501 1.00 33.42 H new ATOM 1255 N VAL A 79 13.241 -5.391 -4.218 1.00 14.22 N ATOM 1256 CA VAL A 79 13.927 -4.105 -4.249 1.00 53.32 C ATOM 1257 C VAL A 79 14.359 -3.678 -2.851 1.00 22.32 C ATOM 1258 O VAL A 79 13.979 -4.298 -1.857 1.00 23.11 O ATOM 1259 CB VAL A 79 13.033 -3.006 -4.855 1.00 60.55 C ATOM 1260 CG1 VAL A 79 13.167 -2.984 -6.370 1.00 62.54 C ATOM 1261 CG2 VAL A 79 11.583 -3.212 -4.443 1.00 62.24 C ATOM 0 H VAL A 79 12.684 -5.551 -3.379 1.00 14.22 H new ATOM 0 HA VAL A 79 14.809 -4.233 -4.876 1.00 53.32 H new ATOM 0 HB VAL A 79 13.363 -2.041 -4.471 1.00 60.55 H new ATOM 0 HG11 VAL A 79 12.528 -2.202 -6.780 1.00 62.54 H new ATOM 0 HG12 VAL A 79 14.204 -2.785 -6.641 1.00 62.54 H new ATOM 0 HG13 VAL A 79 12.865 -3.949 -6.776 1.00 62.54 H new ATOM 0 HG21 VAL A 79 10.966 -2.427 -4.880 1.00 62.24 H new ATOM 0 HG22 VAL A 79 11.239 -4.184 -4.797 1.00 62.24 H new ATOM 0 HG23 VAL A 79 11.504 -3.173 -3.357 1.00 62.24 H new ATOM 1271 N ILE A 80 15.155 -2.617 -2.782 1.00 11.53 N ATOM 1272 CA ILE A 80 15.638 -2.106 -1.505 1.00 33.24 C ATOM 1273 C ILE A 80 15.852 -0.597 -1.561 1.00 34.51 C ATOM 1274 O ILE A 80 16.898 -0.123 -2.004 1.00 21.42 O ATOM 1275 CB ILE A 80 16.956 -2.785 -1.089 1.00 62.22 C ATOM 1276 CG1 ILE A 80 16.752 -4.293 -0.934 1.00 34.54 C ATOM 1277 CG2 ILE A 80 17.479 -2.180 0.205 1.00 50.31 C ATOM 1278 CD1 ILE A 80 18.028 -5.049 -0.634 1.00 14.41 C ATOM 0 H ILE A 80 15.479 -2.094 -3.595 1.00 11.53 H new ATOM 0 HA ILE A 80 14.872 -2.334 -0.764 1.00 33.24 H new ATOM 0 HB ILE A 80 17.696 -2.616 -1.871 1.00 62.22 H new ATOM 0 HG12 ILE A 80 16.035 -4.474 -0.133 1.00 34.54 H new ATOM 0 HG13 ILE A 80 16.312 -4.688 -1.850 1.00 34.54 H new ATOM 0 HG21 ILE A 80 18.411 -2.671 0.485 1.00 50.31 H new ATOM 0 HG22 ILE A 80 17.659 -1.114 0.062 1.00 50.31 H new ATOM 0 HG23 ILE A 80 16.743 -2.321 0.996 1.00 50.31 H new ATOM 0 HD11 ILE A 80 17.807 -6.112 -0.537 1.00 14.41 H new ATOM 0 HD12 ILE A 80 18.739 -4.899 -1.446 1.00 14.41 H new ATOM 0 HD13 ILE A 80 18.458 -4.682 0.298 1.00 14.41 H new ATOM 1290 N LYS A 81 14.854 0.153 -1.107 1.00 54.35 N ATOM 1291 CA LYS A 81 14.932 1.609 -1.102 1.00 51.35 C ATOM 1292 C LYS A 81 14.973 2.147 0.324 1.00 4.04 C ATOM 1293 O LYS A 81 14.243 1.676 1.197 1.00 41.44 O ATOM 1294 CB LYS A 81 13.738 2.207 -1.850 1.00 13.44 C ATOM 1295 CG LYS A 81 13.599 3.710 -1.672 1.00 65.51 C ATOM 1296 CD LYS A 81 12.214 4.087 -1.175 1.00 41.24 C ATOM 1297 CE LYS A 81 11.878 5.533 -1.508 1.00 33.21 C ATOM 1298 NZ LYS A 81 10.894 6.108 -0.549 1.00 5.22 N ATOM 0 H LYS A 81 13.981 -0.224 -0.737 1.00 54.35 H new ATOM 0 HA LYS A 81 15.853 1.900 -1.608 1.00 51.35 H new ATOM 0 HB2 LYS A 81 13.836 1.983 -2.912 1.00 13.44 H new ATOM 0 HB3 LYS A 81 12.824 1.723 -1.505 1.00 13.44 H new ATOM 0 HG2 LYS A 81 14.349 4.064 -0.965 1.00 65.51 H new ATOM 0 HG3 LYS A 81 13.794 4.209 -2.621 1.00 65.51 H new ATOM 0 HD2 LYS A 81 11.472 3.427 -1.625 1.00 41.24 H new ATOM 0 HD3 LYS A 81 12.160 3.939 -0.096 1.00 41.24 H new ATOM 0 HE2 LYS A 81 12.790 6.130 -1.495 1.00 33.21 H new ATOM 0 HE3 LYS A 81 11.475 5.589 -2.519 1.00 33.21 H new ATOM 0 HZ1 LYS A 81 10.691 7.094 -0.810 1.00 5.22 H new ATOM 0 HZ2 LYS A 81 10.015 5.554 -0.580 1.00 5.22 H new ATOM 0 HZ3 LYS A 81 11.289 6.078 0.413 1.00 5.22 H new ATOM 1312 N ASP A 82 15.831 3.135 0.554 1.00 14.54 N ATOM 1313 CA ASP A 82 15.965 3.739 1.875 1.00 1.11 C ATOM 1314 C ASP A 82 16.077 2.666 2.954 1.00 52.40 C ATOM 1315 O ASP A 82 15.610 2.850 4.077 1.00 11.32 O ATOM 1316 CB ASP A 82 14.772 4.651 2.166 1.00 23.15 C ATOM 1317 CG ASP A 82 15.192 6.078 2.457 1.00 2.35 C ATOM 1318 OD1 ASP A 82 16.077 6.594 1.743 1.00 5.11 O ATOM 1319 OD2 ASP A 82 14.635 6.680 3.399 1.00 71.10 O ATOM 0 H ASP A 82 16.444 3.535 -0.157 1.00 14.54 H new ATOM 0 HA ASP A 82 16.878 4.335 1.884 1.00 1.11 H new ATOM 0 HB2 ASP A 82 14.094 4.642 1.312 1.00 23.15 H new ATOM 0 HB3 ASP A 82 14.217 4.258 3.018 1.00 23.15 H new ATOM 1324 N GLY A 83 16.698 1.544 2.604 1.00 43.21 N ATOM 1325 CA GLY A 83 16.859 0.458 3.553 1.00 52.11 C ATOM 1326 C GLY A 83 15.536 -0.013 4.125 1.00 42.54 C ATOM 1327 O GLY A 83 15.463 -0.422 5.284 1.00 70.42 O ATOM 0 H GLY A 83 17.093 1.368 1.680 1.00 43.21 H new ATOM 0 HA2 GLY A 83 17.358 -0.378 3.063 1.00 52.11 H new ATOM 0 HA3 GLY A 83 17.508 0.783 4.366 1.00 52.11 H new ATOM 1331 N LEU A 84 14.487 0.047 3.311 1.00 4.25 N ATOM 1332 CA LEU A 84 13.159 -0.375 3.743 1.00 5.13 C ATOM 1333 C LEU A 84 12.868 -1.802 3.290 1.00 14.14 C ATOM 1334 O LEU A 84 12.525 -2.663 4.099 1.00 30.05 O ATOM 1335 CB LEU A 84 12.096 0.575 3.191 1.00 52.35 C ATOM 1336 CG LEU A 84 11.791 1.810 4.040 1.00 25.54 C ATOM 1337 CD1 LEU A 84 11.494 3.008 3.153 1.00 0.42 C ATOM 1338 CD2 LEU A 84 10.626 1.536 4.979 1.00 14.24 C ATOM 0 H LEU A 84 14.531 0.384 2.349 1.00 4.25 H new ATOM 0 HA LEU A 84 13.131 -0.347 4.832 1.00 5.13 H new ATOM 0 HB2 LEU A 84 12.413 0.908 2.203 1.00 52.35 H new ATOM 0 HB3 LEU A 84 11.171 0.014 3.057 1.00 52.35 H new ATOM 0 HG LEU A 84 12.670 2.040 4.642 1.00 25.54 H new ATOM 0 HD11 LEU A 84 11.279 3.877 3.775 1.00 0.42 H new ATOM 0 HD12 LEU A 84 12.358 3.217 2.523 1.00 0.42 H new ATOM 0 HD13 LEU A 84 10.631 2.790 2.524 1.00 0.42 H new ATOM 0 HD21 LEU A 84 10.423 2.425 5.576 1.00 14.24 H new ATOM 0 HD22 LEU A 84 9.741 1.280 4.396 1.00 14.24 H new ATOM 0 HD23 LEU A 84 10.878 0.706 5.639 1.00 14.24 H new ATOM 1350 N GLY A 85 13.008 -2.046 1.991 1.00 41.52 N ATOM 1351 CA GLY A 85 12.758 -3.370 1.453 1.00 13.10 C ATOM 1352 C GLY A 85 11.335 -3.535 0.956 1.00 0.35 C ATOM 1353 O GLY A 85 10.383 -3.404 1.726 1.00 54.43 O ATOM 0 H GLY A 85 13.290 -1.350 1.301 1.00 41.52 H new ATOM 0 HA2 GLY A 85 13.450 -3.562 0.633 1.00 13.10 H new ATOM 0 HA3 GLY A 85 12.960 -4.115 2.222 1.00 13.10 H new ATOM 1357 N TYR A 86 11.190 -3.821 -0.332 1.00 54.04 N ATOM 1358 CA TYR A 86 9.872 -4.000 -0.932 1.00 4.42 C ATOM 1359 C TYR A 86 9.900 -5.098 -1.990 1.00 33.53 C ATOM 1360 O TYR A 86 10.951 -5.411 -2.549 1.00 31.10 O ATOM 1361 CB TYR A 86 9.390 -2.688 -1.555 1.00 25.32 C ATOM 1362 CG TYR A 86 9.263 -1.556 -0.560 1.00 73.54 C ATOM 1363 CD1 TYR A 86 8.131 -1.429 0.235 1.00 10.42 C ATOM 1364 CD2 TYR A 86 10.275 -0.615 -0.416 1.00 33.30 C ATOM 1365 CE1 TYR A 86 8.010 -0.396 1.144 1.00 11.43 C ATOM 1366 CE2 TYR A 86 10.163 0.420 0.492 1.00 52.23 C ATOM 1367 CZ TYR A 86 9.028 0.526 1.269 1.00 4.00 C ATOM 1368 OH TYR A 86 8.912 1.556 2.175 1.00 62.35 O ATOM 0 H TYR A 86 11.968 -3.934 -0.982 1.00 54.04 H new ATOM 0 HA TYR A 86 9.179 -4.297 -0.145 1.00 4.42 H new ATOM 0 HB2 TYR A 86 10.084 -2.393 -2.342 1.00 25.32 H new ATOM 0 HB3 TYR A 86 8.423 -2.854 -2.029 1.00 25.32 H new ATOM 0 HD1 TYR A 86 7.332 -2.150 0.141 1.00 10.42 H new ATOM 0 HD2 TYR A 86 11.164 -0.694 -1.024 1.00 33.30 H new ATOM 0 HE1 TYR A 86 7.123 -0.311 1.754 1.00 11.43 H new ATOM 0 HE2 TYR A 86 10.960 1.142 0.593 1.00 52.23 H new ATOM 0 HH TYR A 86 8.184 1.361 2.801 1.00 62.35 H new ATOM 1378 N ARG A 87 8.736 -5.680 -2.259 1.00 34.40 N ATOM 1379 CA ARG A 87 8.625 -6.745 -3.249 1.00 14.10 C ATOM 1380 C ARG A 87 7.226 -6.777 -3.858 1.00 40.13 C ATOM 1381 O ARG A 87 6.226 -6.709 -3.144 1.00 3.41 O ATOM 1382 CB ARG A 87 8.946 -8.098 -2.612 1.00 61.22 C ATOM 1383 CG ARG A 87 8.504 -9.286 -3.451 1.00 33.34 C ATOM 1384 CD ARG A 87 7.471 -10.130 -2.720 1.00 20.12 C ATOM 1385 NE ARG A 87 7.920 -10.508 -1.383 1.00 23.14 N ATOM 1386 CZ ARG A 87 7.550 -9.873 -0.276 1.00 71.31 C ATOM 1387 NH1 ARG A 87 6.728 -8.835 -0.347 1.00 22.21 N ATOM 1388 NH2 ARG A 87 8.001 -10.277 0.905 1.00 63.15 N ATOM 0 H ARG A 87 7.857 -5.432 -1.806 1.00 34.40 H new ATOM 0 HA ARG A 87 9.344 -6.545 -4.043 1.00 14.10 H new ATOM 0 HB2 ARG A 87 10.021 -8.164 -2.441 1.00 61.22 H new ATOM 0 HB3 ARG A 87 8.464 -8.154 -1.636 1.00 61.22 H new ATOM 0 HG2 ARG A 87 8.086 -8.932 -4.393 1.00 33.34 H new ATOM 0 HG3 ARG A 87 9.370 -9.901 -3.698 1.00 33.34 H new ATOM 0 HD2 ARG A 87 6.536 -9.574 -2.645 1.00 20.12 H new ATOM 0 HD3 ARG A 87 7.262 -11.029 -3.300 1.00 20.12 H new ATOM 0 HE ARG A 87 8.552 -11.303 -1.294 1.00 23.14 H new ATOM 0 HH11 ARG A 87 6.378 -8.522 -1.253 1.00 22.21 H new ATOM 0 HH12 ARG A 87 6.445 -8.349 0.504 1.00 22.21 H new ATOM 0 HH21 ARG A 87 8.632 -11.076 0.964 1.00 63.15 H new ATOM 0 HH22 ARG A 87 7.716 -9.789 1.754 1.00 63.15 H new ATOM 1402 N GLN A 88 7.165 -6.880 -5.182 1.00 21.50 N ATOM 1403 CA GLN A 88 5.889 -6.920 -5.887 1.00 22.03 C ATOM 1404 C GLN A 88 5.278 -8.316 -5.827 1.00 54.13 C ATOM 1405 O GLN A 88 5.988 -9.309 -5.671 1.00 32.32 O ATOM 1406 CB GLN A 88 6.074 -6.493 -7.344 1.00 11.11 C ATOM 1407 CG GLN A 88 4.803 -5.964 -7.989 1.00 32.52 C ATOM 1408 CD GLN A 88 4.606 -4.479 -7.760 1.00 2.13 C ATOM 1409 OE1 GLN A 88 4.416 -4.033 -6.628 1.00 34.44 O ATOM 1410 NE2 GLN A 88 4.652 -3.702 -8.836 1.00 34.50 N ATOM 0 H GLN A 88 7.984 -6.937 -5.788 1.00 21.50 H new ATOM 0 HA GLN A 88 5.209 -6.224 -5.396 1.00 22.03 H new ATOM 0 HB2 GLN A 88 6.844 -5.723 -7.393 1.00 11.11 H new ATOM 0 HB3 GLN A 88 6.437 -7.344 -7.920 1.00 11.11 H new ATOM 0 HG2 GLN A 88 4.835 -6.161 -9.061 1.00 32.52 H new ATOM 0 HG3 GLN A 88 3.945 -6.506 -7.590 1.00 32.52 H new ATOM 0 HE21 GLN A 88 4.812 -4.113 -9.756 1.00 34.50 H new ATOM 0 HE22 GLN A 88 4.528 -2.694 -8.743 1.00 34.50 H new ATOM 1419 N ASP A 89 3.957 -8.383 -5.953 1.00 31.42 N ATOM 1420 CA ASP A 89 3.249 -9.658 -5.914 1.00 42.11 C ATOM 1421 C ASP A 89 2.151 -9.702 -6.972 1.00 65.45 C ATOM 1422 O ASP A 89 2.169 -8.933 -7.932 1.00 4.41 O ATOM 1423 CB ASP A 89 2.647 -9.890 -4.527 1.00 44.52 C ATOM 1424 CG ASP A 89 1.190 -9.477 -4.452 1.00 65.21 C ATOM 1425 OD1 ASP A 89 0.834 -8.447 -5.061 1.00 33.20 O ATOM 1426 OD2 ASP A 89 0.407 -10.184 -3.784 1.00 21.13 O ATOM 0 H ASP A 89 3.355 -7.570 -6.083 1.00 31.42 H new ATOM 0 HA ASP A 89 3.967 -10.450 -6.127 1.00 42.11 H new ATOM 0 HB2 ASP A 89 2.737 -10.945 -4.267 1.00 44.52 H new ATOM 0 HB3 ASP A 89 3.219 -9.330 -3.787 1.00 44.52 H new ATOM 1431 N ASN A 90 1.198 -10.610 -6.791 1.00 13.14 N ATOM 1432 CA ASN A 90 0.092 -10.756 -7.731 1.00 25.01 C ATOM 1433 C ASN A 90 0.502 -11.615 -8.923 1.00 65.40 C ATOM 1434 O ASN A 90 -0.285 -12.417 -9.424 1.00 22.23 O ATOM 1435 CB ASN A 90 -0.377 -9.383 -8.215 1.00 53.24 C ATOM 1436 CG ASN A 90 -1.841 -9.379 -8.611 1.00 14.14 C ATOM 1437 OD1 ASN A 90 -2.183 -9.125 -9.766 1.00 34.04 O ATOM 1438 ND2 ASN A 90 -2.714 -9.661 -7.650 1.00 50.11 N ATOM 0 H ASN A 90 1.169 -11.256 -6.002 1.00 13.14 H new ATOM 0 HA ASN A 90 -0.729 -11.252 -7.214 1.00 25.01 H new ATOM 0 HB2 ASN A 90 -0.215 -8.648 -7.427 1.00 53.24 H new ATOM 0 HB3 ASN A 90 0.228 -9.075 -9.068 1.00 53.24 H new ATOM 0 HD21 ASN A 90 -3.713 -9.673 -7.856 1.00 50.11 H new ATOM 0 HD22 ASN A 90 -2.385 -9.866 -6.706 1.00 50.11 H new ATOM 1445 N GLY A 91 1.742 -11.442 -9.373 1.00 12.25 N ATOM 1446 CA GLY A 91 2.235 -12.208 -10.502 1.00 25.23 C ATOM 1447 C GLY A 91 1.210 -12.333 -11.611 1.00 13.13 C ATOM 1448 O GLY A 91 0.554 -13.366 -11.745 1.00 2.44 O ATOM 0 H GLY A 91 2.413 -10.785 -8.975 1.00 12.25 H new ATOM 0 HA2 GLY A 91 3.134 -11.733 -10.895 1.00 25.23 H new ATOM 0 HA3 GLY A 91 2.523 -13.203 -10.164 1.00 25.23 H new ATOM 1452 N GLU A 92 1.069 -11.277 -12.407 1.00 24.35 N ATOM 1453 CA GLU A 92 0.114 -11.273 -13.508 1.00 35.43 C ATOM 1454 C GLU A 92 0.294 -10.034 -14.380 1.00 73.42 C ATOM 1455 O GLU A 92 0.001 -8.916 -13.956 1.00 63.34 O ATOM 1456 CB GLU A 92 -1.318 -11.328 -12.970 1.00 20.10 C ATOM 1457 CG GLU A 92 -2.378 -11.298 -14.058 1.00 14.52 C ATOM 1458 CD GLU A 92 -3.764 -11.006 -13.514 1.00 45.22 C ATOM 1459 OE1 GLU A 92 -4.261 -11.809 -12.697 1.00 61.24 O ATOM 1460 OE2 GLU A 92 -4.350 -9.975 -13.905 1.00 71.23 O ATOM 0 H GLU A 92 1.604 -10.414 -12.309 1.00 24.35 H new ATOM 0 HA GLU A 92 0.299 -12.156 -14.119 1.00 35.43 H new ATOM 0 HB2 GLU A 92 -1.441 -12.236 -12.380 1.00 20.10 H new ATOM 0 HB3 GLU A 92 -1.477 -10.486 -12.296 1.00 20.10 H new ATOM 0 HG2 GLU A 92 -2.114 -10.541 -14.796 1.00 14.52 H new ATOM 0 HG3 GLU A 92 -2.389 -12.257 -14.576 1.00 14.52 H new ATOM 1467 N TRP A 93 0.777 -10.242 -15.599 1.00 63.44 N ATOM 1468 CA TRP A 93 0.997 -9.143 -16.532 1.00 4.41 C ATOM 1469 C TRP A 93 0.871 -9.619 -17.975 1.00 11.22 C ATOM 1470 O TRP A 93 1.610 -10.499 -18.416 1.00 63.23 O ATOM 1471 CB TRP A 93 2.377 -8.523 -16.305 1.00 65.34 C ATOM 1472 CG TRP A 93 2.522 -7.869 -14.965 1.00 21.03 C ATOM 1473 CD1 TRP A 93 2.044 -6.644 -14.595 1.00 25.34 C ATOM 1474 CD2 TRP A 93 3.191 -8.404 -13.818 1.00 21.34 C ATOM 1475 NE1 TRP A 93 2.376 -6.386 -13.286 1.00 42.05 N ATOM 1476 CE2 TRP A 93 3.079 -7.450 -12.787 1.00 70.52 C ATOM 1477 CE3 TRP A 93 3.872 -9.597 -13.560 1.00 32.21 C ATOM 1478 CZ2 TRP A 93 3.624 -7.654 -11.522 1.00 73.22 C ATOM 1479 CZ3 TRP A 93 4.412 -9.798 -12.304 1.00 42.20 C ATOM 1480 CH2 TRP A 93 4.285 -8.831 -11.298 1.00 21.03 C ATOM 0 H TRP A 93 1.024 -11.162 -15.965 1.00 63.44 H new ATOM 0 HA TRP A 93 0.232 -8.388 -16.351 1.00 4.41 H new ATOM 0 HB2 TRP A 93 3.137 -9.298 -16.407 1.00 65.34 H new ATOM 0 HB3 TRP A 93 2.568 -7.785 -17.084 1.00 65.34 H new ATOM 0 HD1 TRP A 93 1.487 -5.977 -15.236 1.00 25.34 H new ATOM 0 HE1 TRP A 93 2.137 -5.539 -12.770 1.00 42.05 H new ATOM 0 HE3 TRP A 93 3.974 -10.349 -14.329 1.00 32.21 H new ATOM 0 HZ2 TRP A 93 3.528 -6.910 -10.745 1.00 73.22 H new ATOM 0 HZ3 TRP A 93 4.941 -10.716 -12.094 1.00 42.20 H new ATOM 0 HH2 TRP A 93 4.717 -9.018 -10.326 1.00 21.03 H new ATOM 1491 N THR A 94 -0.071 -9.032 -18.707 1.00 42.20 N ATOM 1492 CA THR A 94 -0.294 -9.397 -20.100 1.00 74.01 C ATOM 1493 C THR A 94 0.533 -8.525 -21.037 1.00 4.31 C ATOM 1494 O THR A 94 0.528 -7.299 -20.927 1.00 12.43 O ATOM 1495 CB THR A 94 -1.782 -9.273 -20.482 1.00 5.14 C ATOM 1496 OG1 THR A 94 -2.597 -9.898 -19.484 1.00 51.41 O ATOM 1497 CG2 THR A 94 -2.048 -9.913 -21.836 1.00 31.14 C ATOM 0 H THR A 94 -0.692 -8.302 -18.358 1.00 42.20 H new ATOM 0 HA THR A 94 0.016 -10.436 -20.207 1.00 74.01 H new ATOM 0 HB THR A 94 -2.032 -8.214 -20.544 1.00 5.14 H new ATOM 0 HG1 THR A 94 -3.541 -9.814 -19.733 1.00 51.41 H new ATOM 0 HG21 THR A 94 -3.105 -9.813 -22.084 1.00 31.14 H new ATOM 0 HG22 THR A 94 -1.448 -9.416 -22.598 1.00 31.14 H new ATOM 0 HG23 THR A 94 -1.783 -10.969 -21.797 1.00 31.14 H new ATOM 1505 N VAL A 95 1.245 -9.165 -21.960 1.00 13.42 N ATOM 1506 CA VAL A 95 2.077 -8.446 -22.918 1.00 34.43 C ATOM 1507 C VAL A 95 1.236 -7.519 -23.789 1.00 24.05 C ATOM 1508 O VAL A 95 0.460 -7.975 -24.627 1.00 54.41 O ATOM 1509 CB VAL A 95 2.855 -9.418 -23.824 1.00 63.12 C ATOM 1510 CG1 VAL A 95 3.768 -8.652 -24.770 1.00 14.43 C ATOM 1511 CG2 VAL A 95 3.652 -10.406 -22.985 1.00 71.05 C ATOM 0 H VAL A 95 1.262 -10.180 -22.064 1.00 13.42 H new ATOM 0 HA VAL A 95 2.786 -7.853 -22.340 1.00 34.43 H new ATOM 0 HB VAL A 95 2.139 -9.980 -24.424 1.00 63.12 H new ATOM 0 HG11 VAL A 95 4.310 -9.356 -25.402 1.00 14.43 H new ATOM 0 HG12 VAL A 95 3.170 -7.988 -25.395 1.00 14.43 H new ATOM 0 HG13 VAL A 95 4.479 -8.062 -24.191 1.00 14.43 H new ATOM 0 HG21 VAL A 95 4.196 -11.085 -23.642 1.00 71.05 H new ATOM 0 HG22 VAL A 95 4.360 -9.863 -22.358 1.00 71.05 H new ATOM 0 HG23 VAL A 95 2.972 -10.978 -22.353 1.00 71.05 H new ATOM 1521 N GLU A 96 1.399 -6.216 -23.584 1.00 15.45 N ATOM 1522 CA GLU A 96 0.654 -5.224 -24.351 1.00 11.14 C ATOM 1523 C GLU A 96 1.595 -4.192 -24.965 1.00 24.10 C ATOM 1524 O GLU A 96 1.155 -3.195 -25.534 1.00 55.34 O ATOM 1525 CB GLU A 96 -0.375 -4.525 -23.460 1.00 11.14 C ATOM 1526 CG GLU A 96 -1.246 -5.485 -22.667 1.00 1.02 C ATOM 1527 CD GLU A 96 -2.727 -5.243 -22.882 1.00 52.34 C ATOM 1528 OE1 GLU A 96 -3.093 -4.734 -23.963 1.00 34.51 O ATOM 1529 OE2 GLU A 96 -3.520 -5.561 -21.971 1.00 42.35 O ATOM 0 H GLU A 96 2.039 -5.823 -22.894 1.00 15.45 H new ATOM 0 HA GLU A 96 0.134 -5.742 -25.157 1.00 11.14 H new ATOM 0 HB2 GLU A 96 0.146 -3.864 -22.767 1.00 11.14 H new ATOM 0 HB3 GLU A 96 -1.014 -3.897 -24.081 1.00 11.14 H new ATOM 0 HG2 GLU A 96 -1.004 -6.509 -22.952 1.00 1.02 H new ATOM 0 HG3 GLU A 96 -1.016 -5.386 -21.606 1.00 1.02 H new ATOM 1536 N GLY A 97 2.896 -4.440 -24.844 1.00 62.31 N ATOM 1537 CA GLY A 97 3.880 -3.524 -25.391 1.00 60.41 C ATOM 1538 C GLY A 97 4.773 -4.182 -26.424 1.00 60.23 C ATOM 1539 O GLY A 97 4.634 -5.372 -26.709 1.00 12.03 O ATOM 0 H GLY A 97 3.286 -5.259 -24.377 1.00 62.31 H new ATOM 0 HA2 GLY A 97 3.369 -2.675 -25.845 1.00 60.41 H new ATOM 0 HA3 GLY A 97 4.495 -3.130 -24.582 1.00 60.41 H new ATOM 1543 N PHE A 98 5.692 -3.407 -26.989 1.00 43.54 N ATOM 1544 CA PHE A 98 6.610 -3.920 -28.000 1.00 21.35 C ATOM 1545 C PHE A 98 7.925 -3.146 -27.984 1.00 31.13 C ATOM 1546 O PHE A 98 7.967 -1.981 -27.590 1.00 5.51 O ATOM 1547 CB PHE A 98 5.973 -3.837 -29.388 1.00 14.30 C ATOM 1548 CG PHE A 98 6.077 -5.113 -30.173 1.00 45.45 C ATOM 1549 CD1 PHE A 98 5.654 -6.314 -29.628 1.00 64.11 C ATOM 1550 CD2 PHE A 98 6.599 -5.111 -31.457 1.00 55.43 C ATOM 1551 CE1 PHE A 98 5.751 -7.490 -30.349 1.00 14.44 C ATOM 1552 CE2 PHE A 98 6.697 -6.283 -32.183 1.00 32.02 C ATOM 1553 CZ PHE A 98 6.271 -7.474 -31.628 1.00 2.12 C ATOM 0 H PHE A 98 5.821 -2.421 -26.764 1.00 43.54 H new ATOM 0 HA PHE A 98 6.820 -4.964 -27.767 1.00 21.35 H new ATOM 0 HB2 PHE A 98 4.922 -3.570 -29.281 1.00 14.30 H new ATOM 0 HB3 PHE A 98 6.450 -3.034 -29.950 1.00 14.30 H new ATOM 0 HD1 PHE A 98 5.244 -6.332 -28.629 1.00 64.11 H new ATOM 0 HD2 PHE A 98 6.933 -4.182 -31.896 1.00 55.43 H new ATOM 0 HE1 PHE A 98 5.420 -8.421 -29.912 1.00 14.44 H new ATOM 0 HE2 PHE A 98 7.106 -6.268 -33.182 1.00 32.02 H new ATOM 0 HZ PHE A 98 6.345 -8.391 -32.194 1.00 2.12 H new ATOM 1563 N VAL A 99 8.997 -3.804 -28.414 1.00 50.54 N ATOM 1564 CA VAL A 99 10.314 -3.178 -28.451 1.00 33.32 C ATOM 1565 C VAL A 99 11.246 -3.916 -29.405 1.00 51.35 C ATOM 1566 O VAL A 99 10.871 -4.928 -29.998 1.00 11.32 O ATOM 1567 CB VAL A 99 10.956 -3.140 -27.051 1.00 54.02 C ATOM 1568 CG1 VAL A 99 10.910 -1.730 -26.481 1.00 64.53 C ATOM 1569 CG2 VAL A 99 10.262 -4.123 -26.120 1.00 51.12 C ATOM 0 H VAL A 99 8.980 -4.770 -28.741 1.00 50.54 H new ATOM 0 HA VAL A 99 10.170 -2.157 -28.805 1.00 33.32 H new ATOM 0 HB VAL A 99 12.001 -3.436 -27.141 1.00 54.02 H new ATOM 0 HG11 VAL A 99 11.368 -1.722 -25.492 1.00 64.53 H new ATOM 0 HG12 VAL A 99 11.456 -1.054 -27.139 1.00 64.53 H new ATOM 0 HG13 VAL A 99 9.873 -1.403 -26.403 1.00 64.53 H new ATOM 0 HG21 VAL A 99 10.728 -4.083 -25.136 1.00 51.12 H new ATOM 0 HG22 VAL A 99 9.208 -3.860 -26.033 1.00 51.12 H new ATOM 0 HG23 VAL A 99 10.352 -5.132 -26.523 1.00 51.12 H new ATOM 1579 N ASP A 100 12.463 -3.402 -29.550 1.00 35.12 N ATOM 1580 CA ASP A 100 13.450 -4.013 -30.432 1.00 5.42 C ATOM 1581 C ASP A 100 14.858 -3.848 -29.868 1.00 2.44 C ATOM 1582 O ASP A 100 15.283 -2.737 -29.550 1.00 60.30 O ATOM 1583 CB ASP A 100 13.371 -3.393 -31.828 1.00 22.01 C ATOM 1584 CG ASP A 100 11.988 -3.515 -32.438 1.00 5.34 C ATOM 1585 OD1 ASP A 100 11.561 -4.655 -32.717 1.00 0.41 O ATOM 1586 OD2 ASP A 100 11.333 -2.470 -32.635 1.00 25.14 O ATOM 0 H ASP A 100 12.789 -2.564 -29.068 1.00 35.12 H new ATOM 0 HA ASP A 100 13.228 -5.078 -30.503 1.00 5.42 H new ATOM 0 HB2 ASP A 100 13.648 -2.340 -31.771 1.00 22.01 H new ATOM 0 HB3 ASP A 100 14.097 -3.879 -32.480 1.00 22.01 H new ATOM 1591 N GLU A 101 15.576 -4.960 -29.745 1.00 74.13 N ATOM 1592 CA GLU A 101 16.935 -4.938 -29.217 1.00 53.35 C ATOM 1593 C GLU A 101 17.930 -4.514 -30.294 1.00 73.53 C ATOM 1594 O GLU A 101 18.894 -5.225 -30.577 1.00 73.02 O ATOM 1595 CB GLU A 101 17.315 -6.314 -28.669 1.00 22.43 C ATOM 1596 CG GLU A 101 18.389 -6.266 -27.595 1.00 62.10 C ATOM 1597 CD GLU A 101 19.336 -7.449 -27.663 1.00 14.11 C ATOM 1598 OE1 GLU A 101 20.143 -7.508 -28.614 1.00 74.23 O ATOM 1599 OE2 GLU A 101 19.269 -8.315 -26.766 1.00 3.22 O ATOM 0 H GLU A 101 15.239 -5.887 -30.004 1.00 74.13 H new ATOM 0 HA GLU A 101 16.971 -4.210 -28.407 1.00 53.35 H new ATOM 0 HB2 GLU A 101 16.425 -6.791 -28.260 1.00 22.43 H new ATOM 0 HB3 GLU A 101 17.663 -6.940 -29.491 1.00 22.43 H new ATOM 0 HG2 GLU A 101 18.959 -5.343 -27.698 1.00 62.10 H new ATOM 0 HG3 GLU A 101 17.915 -6.241 -26.614 1.00 62.10 H new ATOM 1606 N ALA A 102 17.687 -3.352 -30.892 1.00 24.25 N ATOM 1607 CA ALA A 102 18.562 -2.833 -31.936 1.00 32.02 C ATOM 1608 C ALA A 102 18.381 -1.329 -32.106 1.00 15.52 C ATOM 1609 O ALA A 102 19.356 -0.580 -32.172 1.00 2.43 O ATOM 1610 CB ALA A 102 18.297 -3.551 -33.251 1.00 52.51 C ATOM 0 H ALA A 102 16.892 -2.753 -30.671 1.00 24.25 H new ATOM 0 HA ALA A 102 19.594 -3.016 -31.636 1.00 32.02 H new ATOM 0 HB1 ALA A 102 18.957 -3.154 -34.022 1.00 52.51 H new ATOM 0 HB2 ALA A 102 18.484 -4.618 -33.127 1.00 52.51 H new ATOM 0 HB3 ALA A 102 17.259 -3.397 -33.547 1.00 52.51 H new