USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot 180:sc= 0.0278 USER MOD Set 1.2: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 29 GLN : amide:sc= -3.04 K(o=-3,f=-13!) USER MOD Set 2.2: A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 14 GLN : amide:sc=-0.00588 X(o=-0.0059,f=-0.26) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 24 SER OG : rot -91:sc= 0.949 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 59:sc= -2.05 USER MOD Single : A 46 HIS : no HD1:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.851 USER MOD Single : A 54 MET CE :methyl -169:sc= -2.81 (180deg=-3.5!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -158:sc= 0.769 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 165:sc=-2.75e-05 USER MOD Single : A 71 TYR OH : rot 81:sc= -0.503 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.878 X(o=-0.88,f=-0.41) USER MOD Single : A 81 SER OG : rot 180:sc= -0.203 USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 14:sc= -0.779 USER MOD Single : A 90 CYS SG : rot -120:sc= -1.28 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -119:sc= 0.786 (180deg=-0.0559) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N ASN A 8 -6.524 -26.332 -2.622 1.00 0.00 N ATOM 69 CA ASN A 8 -5.651 -26.705 -3.729 1.00 0.00 C ATOM 70 C ASN A 8 -4.186 -26.660 -3.305 1.00 0.00 C ATOM 71 O ASN A 8 -3.537 -25.618 -3.389 1.00 0.00 O ATOM 72 CB ASN A 8 -5.880 -25.775 -4.922 1.00 0.00 C ATOM 73 CG ASN A 8 -6.069 -26.537 -6.221 1.00 0.00 C ATOM 74 OD1 ASN A 8 -5.150 -26.639 -7.032 1.00 0.00 O ATOM 75 ND2 ASN A 8 -7.266 -27.076 -6.421 1.00 0.00 N ATOM 0 HA ASN A 8 -5.893 -27.726 -4.023 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.759 -25.158 -4.735 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -5.031 -25.099 -5.021 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.453 -27.600 -7.276 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.999 -26.966 -5.720 1.00 0.00 H new ATOM 82 N GLU A 9 -3.673 -27.797 -2.848 1.00 0.00 N ATOM 83 CA GLU A 9 -2.285 -27.889 -2.410 1.00 0.00 C ATOM 84 C GLU A 9 -1.331 -27.785 -3.596 1.00 0.00 C ATOM 85 O GLU A 9 -0.214 -27.285 -3.465 1.00 0.00 O ATOM 86 CB GLU A 9 -2.049 -29.204 -1.664 1.00 0.00 C ATOM 87 CG GLU A 9 -1.104 -29.071 -0.480 1.00 0.00 C ATOM 88 CD GLU A 9 -1.677 -29.660 0.794 1.00 0.00 C ATOM 89 OE1 GLU A 9 -2.896 -29.506 1.023 1.00 0.00 O ATOM 90 OE2 GLU A 9 -0.909 -30.275 1.562 1.00 0.00 O ATOM 0 H GLU A 9 -4.198 -28.668 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.088 -27.056 -1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.006 -29.590 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.645 -29.939 -2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.163 -29.568 -0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.877 -28.017 -0.318 1.00 0.00 H new ATOM 97 N GLU A 10 -1.779 -28.262 -4.753 1.00 0.00 N ATOM 98 CA GLU A 10 -0.965 -28.223 -5.962 1.00 0.00 C ATOM 99 C GLU A 10 -0.601 -26.788 -6.329 1.00 0.00 C ATOM 100 O GLU A 10 0.562 -26.477 -6.586 1.00 0.00 O ATOM 101 CB GLU A 10 -1.706 -28.891 -7.123 1.00 0.00 C ATOM 102 CG GLU A 10 -0.879 -29.937 -7.852 1.00 0.00 C ATOM 103 CD GLU A 10 -1.731 -31.035 -8.456 1.00 0.00 C ATOM 104 OE1 GLU A 10 -2.685 -31.484 -7.786 1.00 0.00 O ATOM 105 OE2 GLU A 10 -1.446 -31.448 -9.600 1.00 0.00 O ATOM 0 H GLU A 10 -2.701 -28.680 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.043 -28.771 -5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.614 -29.359 -6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.016 -28.125 -7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.302 -29.454 -8.641 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.163 -30.378 -7.158 1.00 0.00 H new ATOM 112 N LEU A 11 -1.605 -25.917 -6.352 1.00 0.00 N ATOM 113 CA LEU A 11 -1.392 -24.513 -6.687 1.00 0.00 C ATOM 114 C LEU A 11 -0.413 -23.861 -5.715 1.00 0.00 C ATOM 115 O LEU A 11 0.313 -22.937 -6.078 1.00 0.00 O ATOM 116 CB LEU A 11 -2.723 -23.758 -6.671 1.00 0.00 C ATOM 117 CG LEU A 11 -2.834 -22.620 -7.688 1.00 0.00 C ATOM 118 CD1 LEU A 11 -2.812 -23.168 -9.106 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.100 -21.812 -7.445 1.00 0.00 C ATOM 0 H LEU A 11 -2.574 -26.158 -6.143 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.965 -24.465 -7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.529 -24.469 -6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.880 -23.349 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.976 -21.960 -7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.892 -22.344 -9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.878 -23.703 -9.275 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.651 -23.850 -9.246 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.164 -21.007 -8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.970 -22.461 -7.543 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.074 -21.389 -6.441 1.00 0.00 H new ATOM 131 N ARG A 12 -0.401 -24.350 -4.479 1.00 0.00 N ATOM 132 CA ARG A 12 0.488 -23.816 -3.453 1.00 0.00 C ATOM 133 C ARG A 12 1.949 -23.913 -3.884 1.00 0.00 C ATOM 134 O ARG A 12 2.799 -23.164 -3.403 1.00 0.00 O ATOM 135 CB ARG A 12 0.284 -24.565 -2.135 1.00 0.00 C ATOM 136 CG ARG A 12 0.657 -23.751 -0.908 1.00 0.00 C ATOM 137 CD ARG A 12 0.266 -24.464 0.376 1.00 0.00 C ATOM 138 NE ARG A 12 1.217 -24.212 1.456 1.00 0.00 N ATOM 139 CZ ARG A 12 1.232 -23.100 2.186 1.00 0.00 C ATOM 140 NH1 ARG A 12 0.350 -22.135 1.957 1.00 0.00 N ATOM 141 NH2 ARG A 12 2.130 -22.952 3.151 1.00 0.00 N ATOM 0 H ARG A 12 -0.997 -25.115 -4.164 1.00 0.00 H new ATOM 0 HA ARG A 12 0.242 -22.764 -3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.760 -24.867 -2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.880 -25.478 -2.150 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.731 -23.563 -0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.163 -22.780 -0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.727 -24.136 0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.205 -25.536 0.190 1.00 0.00 H new ATOM 0 HE ARG A 12 1.910 -24.931 1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.344 -22.244 1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.367 -21.285 2.520 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.809 -23.691 3.333 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.141 -22.099 3.711 1.00 0.00 H new ATOM 155 N ALA A 13 2.238 -24.842 -4.791 1.00 0.00 N ATOM 156 CA ALA A 13 3.598 -25.035 -5.280 1.00 0.00 C ATOM 157 C ALA A 13 3.770 -24.457 -6.681 1.00 0.00 C ATOM 158 O ALA A 13 4.808 -23.880 -7.003 1.00 0.00 O ATOM 159 CB ALA A 13 3.956 -26.513 -5.270 1.00 0.00 C ATOM 0 H ALA A 13 1.549 -25.472 -5.201 1.00 0.00 H new ATOM 0 HA ALA A 13 4.275 -24.502 -4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.974 -26.643 -5.637 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.885 -26.898 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.266 -27.059 -5.913 1.00 0.00 H new ATOM 165 N GLN A 14 2.746 -24.619 -7.513 1.00 0.00 N ATOM 166 CA GLN A 14 2.786 -24.115 -8.881 1.00 0.00 C ATOM 167 C GLN A 14 2.972 -22.600 -8.903 1.00 0.00 C ATOM 168 O GLN A 14 3.539 -22.049 -9.846 1.00 0.00 O ATOM 169 CB GLN A 14 1.503 -24.493 -9.624 1.00 0.00 C ATOM 170 CG GLN A 14 1.538 -24.161 -11.107 1.00 0.00 C ATOM 171 CD GLN A 14 2.281 -25.203 -11.920 1.00 0.00 C ATOM 172 OE1 GLN A 14 2.032 -26.402 -11.789 1.00 0.00 O ATOM 173 NE2 GLN A 14 3.199 -24.749 -12.766 1.00 0.00 N ATOM 0 H GLN A 14 1.879 -25.095 -7.264 1.00 0.00 H new ATOM 0 HA GLN A 14 3.638 -24.573 -9.383 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.325 -25.562 -9.504 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.661 -23.976 -9.164 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.518 -24.074 -11.480 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.013 -23.190 -11.247 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.372 -23.747 -12.841 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.731 -25.403 -13.340 1.00 0.00 H new ATOM 182 N GLN A 15 2.488 -21.932 -7.860 1.00 0.00 N ATOM 183 CA GLN A 15 2.601 -20.481 -7.765 1.00 0.00 C ATOM 184 C GLN A 15 3.726 -20.080 -6.816 1.00 0.00 C ATOM 185 O GLN A 15 3.590 -19.134 -6.041 1.00 0.00 O ATOM 186 CB GLN A 15 1.278 -19.878 -7.289 1.00 0.00 C ATOM 187 CG GLN A 15 0.079 -20.311 -8.118 1.00 0.00 C ATOM 188 CD GLN A 15 -0.237 -19.339 -9.238 1.00 0.00 C ATOM 189 OE1 GLN A 15 -0.446 -18.149 -9.002 1.00 0.00 O ATOM 190 NE2 GLN A 15 -0.273 -19.842 -10.466 1.00 0.00 N ATOM 0 H GLN A 15 2.015 -22.372 -7.071 1.00 0.00 H new ATOM 0 HA GLN A 15 2.835 -20.095 -8.757 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.112 -20.161 -6.250 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.354 -18.791 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.271 -21.297 -8.541 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.791 -20.407 -7.469 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.093 -20.835 -10.616 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.480 -19.236 -11.260 1.00 0.00 H new ATOM 199 N GLU A 16 4.838 -20.804 -6.884 1.00 0.00 N ATOM 200 CA GLU A 16 5.987 -20.521 -6.029 1.00 0.00 C ATOM 201 C GLU A 16 6.985 -19.613 -6.739 1.00 0.00 C ATOM 202 O GLU A 16 7.240 -18.491 -6.300 1.00 0.00 O ATOM 203 CB GLU A 16 6.672 -21.824 -5.612 1.00 0.00 C ATOM 204 CG GLU A 16 6.168 -22.379 -4.289 1.00 0.00 C ATOM 205 CD GLU A 16 7.035 -23.504 -3.762 1.00 0.00 C ATOM 206 OE1 GLU A 16 8.274 -23.406 -3.880 1.00 0.00 O ATOM 207 OE2 GLU A 16 6.475 -24.486 -3.229 1.00 0.00 O ATOM 0 H GLU A 16 4.969 -21.590 -7.521 1.00 0.00 H new ATOM 0 HA GLU A 16 5.626 -20.006 -5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.520 -22.571 -6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.746 -21.653 -5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.133 -21.576 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.147 -22.740 -4.416 1.00 0.00 H new ATOM 214 N ALA A 17 7.549 -20.105 -7.838 1.00 0.00 N ATOM 215 CA ALA A 17 8.523 -19.337 -8.606 1.00 0.00 C ATOM 216 C ALA A 17 7.979 -18.974 -9.984 1.00 0.00 C ATOM 217 O ALA A 17 8.290 -17.914 -10.526 1.00 0.00 O ATOM 218 CB ALA A 17 9.823 -20.115 -8.739 1.00 0.00 C ATOM 0 H ALA A 17 7.349 -21.031 -8.216 1.00 0.00 H new ATOM 0 HA ALA A 17 8.719 -18.410 -8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.540 -19.530 -9.314 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.230 -20.315 -7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.632 -21.059 -9.250 1.00 0.00 H new ATOM 224 N GLU A 18 7.166 -19.862 -10.548 1.00 0.00 N ATOM 225 CA GLU A 18 6.581 -19.636 -11.866 1.00 0.00 C ATOM 226 C GLU A 18 5.797 -18.328 -11.898 1.00 0.00 C ATOM 227 O GLU A 18 6.054 -17.459 -12.732 1.00 0.00 O ATOM 228 CB GLU A 18 5.668 -20.801 -12.250 1.00 0.00 C ATOM 229 CG GLU A 18 6.423 -22.055 -12.663 1.00 0.00 C ATOM 230 CD GLU A 18 6.608 -22.154 -14.165 1.00 0.00 C ATOM 231 OE1 GLU A 18 6.702 -21.097 -14.822 1.00 0.00 O ATOM 232 OE2 GLU A 18 6.657 -23.290 -14.683 1.00 0.00 O ATOM 0 H GLU A 18 6.897 -20.745 -10.113 1.00 0.00 H new ATOM 0 HA GLU A 18 7.394 -19.568 -12.588 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.021 -21.038 -11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.021 -20.490 -13.070 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.399 -22.063 -12.179 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.884 -22.933 -12.308 1.00 0.00 H new ATOM 239 N ALA A 19 4.843 -18.193 -10.984 1.00 0.00 N ATOM 240 CA ALA A 19 4.024 -16.990 -10.907 1.00 0.00 C ATOM 241 C ALA A 19 4.548 -16.042 -9.835 1.00 0.00 C ATOM 242 O ALA A 19 3.778 -15.322 -9.199 1.00 0.00 O ATOM 243 CB ALA A 19 2.573 -17.355 -10.629 1.00 0.00 C ATOM 0 H ALA A 19 4.618 -18.902 -10.286 1.00 0.00 H new ATOM 0 HA ALA A 19 4.079 -16.479 -11.868 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.973 -16.446 -10.574 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.197 -17.990 -11.431 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.508 -17.891 -9.682 1.00 0.00 H new ATOM 249 N ALA A 20 5.862 -16.047 -9.638 1.00 0.00 N ATOM 250 CA ALA A 20 6.489 -15.189 -8.641 1.00 0.00 C ATOM 251 C ALA A 20 7.711 -14.477 -9.213 1.00 0.00 C ATOM 252 O ALA A 20 7.898 -13.279 -9.003 1.00 0.00 O ATOM 253 CB ALA A 20 6.876 -16.002 -7.415 1.00 0.00 C ATOM 0 H ALA A 20 6.513 -16.636 -10.156 1.00 0.00 H new ATOM 0 HA ALA A 20 5.765 -14.429 -8.348 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.343 -15.349 -6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.984 -16.456 -6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.578 -16.784 -7.704 1.00 0.00 H new ATOM 259 N GLN A 21 8.541 -15.223 -9.937 1.00 0.00 N ATOM 260 CA GLN A 21 9.746 -14.662 -10.539 1.00 0.00 C ATOM 261 C GLN A 21 9.413 -13.461 -11.419 1.00 0.00 C ATOM 262 O GLN A 21 10.014 -12.395 -11.284 1.00 0.00 O ATOM 263 CB GLN A 21 10.472 -15.729 -11.363 1.00 0.00 C ATOM 264 CG GLN A 21 11.976 -15.751 -11.140 1.00 0.00 C ATOM 265 CD GLN A 21 12.406 -16.844 -10.182 1.00 0.00 C ATOM 266 OE1 GLN A 21 12.306 -18.032 -10.491 1.00 0.00 O ATOM 267 NE2 GLN A 21 12.888 -16.448 -9.010 1.00 0.00 N ATOM 0 H GLN A 21 8.401 -16.217 -10.121 1.00 0.00 H new ATOM 0 HA GLN A 21 10.399 -14.325 -9.734 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.062 -16.708 -11.116 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.272 -15.558 -12.421 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.480 -15.892 -12.096 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.296 -14.785 -10.751 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.953 -15.453 -8.795 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.193 -17.139 -8.324 1.00 0.00 H new ATOM 276 N ARG A 22 8.451 -13.641 -12.317 1.00 0.00 N ATOM 277 CA ARG A 22 8.037 -12.570 -13.218 1.00 0.00 C ATOM 278 C ARG A 22 7.541 -11.359 -12.435 1.00 0.00 C ATOM 279 O ARG A 22 7.640 -10.223 -12.900 1.00 0.00 O ATOM 280 CB ARG A 22 6.941 -13.066 -14.162 1.00 0.00 C ATOM 281 CG ARG A 22 5.700 -13.572 -13.444 1.00 0.00 C ATOM 282 CD ARG A 22 5.154 -14.835 -14.092 1.00 0.00 C ATOM 283 NE ARG A 22 4.492 -14.555 -15.364 1.00 0.00 N ATOM 284 CZ ARG A 22 3.717 -15.429 -16.004 1.00 0.00 C ATOM 285 NH1 ARG A 22 3.504 -16.635 -15.494 1.00 0.00 N ATOM 286 NH2 ARG A 22 3.152 -15.093 -17.156 1.00 0.00 N ATOM 0 H ARG A 22 7.943 -14.517 -12.441 1.00 0.00 H new ATOM 0 HA ARG A 22 8.904 -12.268 -13.805 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.657 -12.255 -14.833 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.343 -13.867 -14.783 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.940 -13.773 -12.400 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.933 -12.797 -13.452 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.969 -15.540 -14.255 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.448 -15.315 -13.414 1.00 0.00 H new ATOM 0 HE ARG A 22 4.631 -13.637 -15.786 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.935 -16.897 -14.607 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.910 -17.300 -15.989 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.311 -14.166 -17.551 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.558 -15.761 -17.647 1.00 0.00 H new ATOM 300 N LEU A 23 7.004 -11.607 -11.244 1.00 0.00 N ATOM 301 CA LEU A 23 6.493 -10.536 -10.397 1.00 0.00 C ATOM 302 C LEU A 23 7.526 -10.126 -9.353 1.00 0.00 C ATOM 303 O LEU A 23 7.184 -9.835 -8.207 1.00 0.00 O ATOM 304 CB LEU A 23 5.200 -10.976 -9.707 1.00 0.00 C ATOM 305 CG LEU A 23 4.294 -9.836 -9.241 1.00 0.00 C ATOM 306 CD1 LEU A 23 3.514 -9.260 -10.413 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.346 -10.320 -8.153 1.00 0.00 C ATOM 0 H LEU A 23 6.912 -12.541 -10.844 1.00 0.00 H new ATOM 0 HA LEU A 23 6.284 -9.675 -11.031 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.638 -11.609 -10.393 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.458 -11.591 -8.844 1.00 0.00 H new ATOM 0 HG LEU A 23 4.920 -9.046 -8.825 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.875 -8.450 -10.062 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.209 -8.876 -11.159 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.898 -10.041 -10.859 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.708 -9.496 -7.833 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.727 -11.128 -8.543 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.923 -10.684 -7.303 1.00 0.00 H new ATOM 319 N SER A 24 8.793 -10.105 -9.756 1.00 0.00 N ATOM 320 CA SER A 24 9.875 -9.729 -8.854 1.00 0.00 C ATOM 321 C SER A 24 10.177 -8.238 -8.958 1.00 0.00 C ATOM 322 O SER A 24 10.544 -7.599 -7.973 1.00 0.00 O ATOM 323 CB SER A 24 11.133 -10.541 -9.168 1.00 0.00 C ATOM 324 OG SER A 24 11.582 -10.296 -10.490 1.00 0.00 O ATOM 0 H SER A 24 9.095 -10.344 -10.701 1.00 0.00 H new ATOM 0 HA SER A 24 9.557 -9.945 -7.834 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.921 -10.285 -8.460 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.924 -11.603 -9.043 1.00 0.00 H new ATOM 0 HG SER A 24 11.170 -10.942 -11.101 1.00 0.00 H new ATOM 330 N GLU A 25 10.022 -7.691 -10.159 1.00 0.00 N ATOM 331 CA GLU A 25 10.279 -6.275 -10.393 1.00 0.00 C ATOM 332 C GLU A 25 9.272 -5.409 -9.643 1.00 0.00 C ATOM 333 O GLU A 25 9.638 -4.414 -9.019 1.00 0.00 O ATOM 334 CB GLU A 25 10.224 -5.966 -11.892 1.00 0.00 C ATOM 335 CG GLU A 25 11.450 -5.232 -12.406 1.00 0.00 C ATOM 336 CD GLU A 25 11.524 -5.208 -13.921 1.00 0.00 C ATOM 337 OE1 GLU A 25 11.435 -6.291 -14.536 1.00 0.00 O ATOM 338 OE2 GLU A 25 11.670 -4.107 -14.490 1.00 0.00 O ATOM 0 H GLU A 25 9.720 -8.207 -10.985 1.00 0.00 H new ATOM 0 HA GLU A 25 11.277 -6.044 -10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.112 -6.900 -12.443 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.338 -5.366 -12.099 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.440 -4.209 -12.030 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.347 -5.708 -12.010 1.00 0.00 H new ATOM 345 N GLU A 26 8.002 -5.796 -9.710 1.00 0.00 N ATOM 346 CA GLU A 26 6.941 -5.055 -9.037 1.00 0.00 C ATOM 347 C GLU A 26 7.158 -5.045 -7.526 1.00 0.00 C ATOM 348 O GLU A 26 6.982 -4.018 -6.871 1.00 0.00 O ATOM 349 CB GLU A 26 5.577 -5.665 -9.367 1.00 0.00 C ATOM 350 CG GLU A 26 4.868 -4.979 -10.522 1.00 0.00 C ATOM 351 CD GLU A 26 3.358 -5.032 -10.393 1.00 0.00 C ATOM 352 OE1 GLU A 26 2.813 -6.144 -10.233 1.00 0.00 O ATOM 353 OE2 GLU A 26 2.719 -3.959 -10.453 1.00 0.00 O ATOM 0 H GLU A 26 7.683 -6.618 -10.223 1.00 0.00 H new ATOM 0 HA GLU A 26 6.966 -4.026 -9.395 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.709 -6.720 -9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.943 -5.616 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.188 -3.938 -10.574 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.166 -5.451 -11.458 1.00 0.00 H new ATOM 360 N LYS A 27 7.539 -6.196 -6.981 1.00 0.00 N ATOM 361 CA LYS A 27 7.779 -6.320 -5.549 1.00 0.00 C ATOM 362 C LYS A 27 8.913 -5.400 -5.104 1.00 0.00 C ATOM 363 O LYS A 27 8.929 -4.922 -3.970 1.00 0.00 O ATOM 364 CB LYS A 27 8.113 -7.770 -5.190 1.00 0.00 C ATOM 365 CG LYS A 27 8.154 -8.031 -3.693 1.00 0.00 C ATOM 366 CD LYS A 27 7.589 -9.401 -3.351 1.00 0.00 C ATOM 367 CE LYS A 27 8.570 -10.511 -3.691 1.00 0.00 C ATOM 368 NZ LYS A 27 8.468 -11.654 -2.743 1.00 0.00 N ATOM 0 H LYS A 27 7.688 -7.055 -7.510 1.00 0.00 H new ATOM 0 HA LYS A 27 6.869 -6.023 -5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.373 -8.428 -5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.079 -8.030 -5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.182 -7.961 -3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.585 -7.261 -3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.347 -9.441 -2.289 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.658 -9.558 -3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.382 -10.863 -4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.586 -10.115 -3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.154 -12.389 -3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.673 -11.324 -1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.506 -12.049 -2.777 1.00 0.00 H new ATOM 382 N ALA A 28 9.859 -5.157 -6.005 1.00 0.00 N ATOM 383 CA ALA A 28 10.997 -4.294 -5.707 1.00 0.00 C ATOM 384 C ALA A 28 10.587 -2.823 -5.680 1.00 0.00 C ATOM 385 O ALA A 28 11.291 -1.985 -5.116 1.00 0.00 O ATOM 386 CB ALA A 28 12.106 -4.516 -6.723 1.00 0.00 C ATOM 0 H ALA A 28 9.860 -5.546 -6.948 1.00 0.00 H new ATOM 0 HA ALA A 28 11.367 -4.556 -4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.949 -3.866 -6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.429 -5.556 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.736 -4.285 -7.722 1.00 0.00 H new ATOM 392 N GLN A 29 9.446 -2.514 -6.290 1.00 0.00 N ATOM 393 CA GLN A 29 8.950 -1.144 -6.329 1.00 0.00 C ATOM 394 C GLN A 29 7.802 -0.953 -5.343 1.00 0.00 C ATOM 395 O GLN A 29 7.596 0.143 -4.820 1.00 0.00 O ATOM 396 CB GLN A 29 8.491 -0.777 -7.743 1.00 0.00 C ATOM 397 CG GLN A 29 7.677 -1.864 -8.422 1.00 0.00 C ATOM 398 CD GLN A 29 7.316 -1.514 -9.853 1.00 0.00 C ATOM 399 OE1 GLN A 29 6.156 -1.244 -10.165 1.00 0.00 O ATOM 400 NE2 GLN A 29 8.312 -1.520 -10.732 1.00 0.00 N ATOM 0 H GLN A 29 8.850 -3.193 -6.763 1.00 0.00 H new ATOM 0 HA GLN A 29 9.768 -0.483 -6.042 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.896 0.135 -7.697 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.366 -0.556 -8.354 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.242 -2.796 -8.411 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.764 -2.038 -7.853 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.258 -1.750 -10.429 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.130 -1.295 -11.710 1.00 0.00 H new ATOM 409 N ALA A 30 7.060 -2.026 -5.091 1.00 0.00 N ATOM 410 CA ALA A 30 5.935 -1.978 -4.166 1.00 0.00 C ATOM 411 C ALA A 30 6.410 -2.054 -2.718 1.00 0.00 C ATOM 412 O ALA A 30 5.749 -1.549 -1.810 1.00 0.00 O ATOM 413 CB ALA A 30 4.960 -3.107 -4.462 1.00 0.00 C ATOM 0 H ALA A 30 7.218 -2.940 -5.515 1.00 0.00 H new ATOM 0 HA ALA A 30 5.424 -1.025 -4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.125 -3.059 -3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.587 -3.008 -5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.469 -4.065 -4.354 1.00 0.00 H new ATOM 419 N SER A 31 7.560 -2.688 -2.508 1.00 0.00 N ATOM 420 CA SER A 31 8.122 -2.830 -1.170 1.00 0.00 C ATOM 421 C SER A 31 9.172 -1.758 -0.901 1.00 0.00 C ATOM 422 O SER A 31 10.187 -2.018 -0.253 1.00 0.00 O ATOM 423 CB SER A 31 8.739 -4.219 -0.999 1.00 0.00 C ATOM 424 OG SER A 31 7.750 -5.232 -1.086 1.00 0.00 O ATOM 0 H SER A 31 8.120 -3.111 -3.248 1.00 0.00 H new ATOM 0 HA SER A 31 7.313 -2.707 -0.450 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.497 -4.380 -1.765 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.243 -4.280 -0.034 1.00 0.00 H new ATOM 0 HG SER A 31 8.171 -6.110 -0.975 1.00 0.00 H new ATOM 430 N ALA A 32 8.923 -0.552 -1.401 1.00 0.00 N ATOM 431 CA ALA A 32 9.849 0.559 -1.213 1.00 0.00 C ATOM 432 C ALA A 32 9.099 1.879 -1.053 1.00 0.00 C ATOM 433 O ALA A 32 9.636 2.946 -1.349 1.00 0.00 O ATOM 434 CB ALA A 32 10.819 0.639 -2.381 1.00 0.00 C ATOM 0 H ALA A 32 8.088 -0.319 -1.939 1.00 0.00 H new ATOM 0 HA ALA A 32 10.413 0.379 -0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.505 1.472 -2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.386 -0.290 -2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.263 0.792 -3.306 1.00 0.00 H new ATOM 440 N ILE A 33 7.859 1.799 -0.580 1.00 0.00 N ATOM 441 CA ILE A 33 7.040 2.989 -0.380 1.00 0.00 C ATOM 442 C ILE A 33 6.259 2.904 0.927 1.00 0.00 C ATOM 443 O ILE A 33 5.314 2.123 1.047 1.00 0.00 O ATOM 444 CB ILE A 33 6.049 3.193 -1.542 1.00 0.00 C ATOM 445 CG1 ILE A 33 6.771 3.068 -2.886 1.00 0.00 C ATOM 446 CG2 ILE A 33 5.368 4.548 -1.425 1.00 0.00 C ATOM 447 CD1 ILE A 33 5.834 2.886 -4.061 1.00 0.00 C ATOM 0 H ILE A 33 7.400 0.924 -0.328 1.00 0.00 H new ATOM 0 HA ILE A 33 7.722 3.838 -0.341 1.00 0.00 H new ATOM 0 HB ILE A 33 5.285 2.418 -1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.376 3.960 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.456 2.222 -2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.671 4.678 -2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.825 4.602 -0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.120 5.337 -1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.414 2.805 -4.980 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.247 1.978 -3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.165 3.744 -4.129 1.00 0.00 H new ATOM 459 N SER A 34 6.660 3.710 1.904 1.00 0.00 N ATOM 460 CA SER A 34 5.998 3.725 3.204 1.00 0.00 C ATOM 461 C SER A 34 4.570 4.249 3.082 1.00 0.00 C ATOM 462 O SER A 34 4.241 4.971 2.141 1.00 0.00 O ATOM 463 CB SER A 34 6.786 4.587 4.192 1.00 0.00 C ATOM 464 OG SER A 34 7.315 5.738 3.555 1.00 0.00 O ATOM 0 H SER A 34 7.440 4.362 1.821 1.00 0.00 H new ATOM 0 HA SER A 34 5.960 2.701 3.575 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.137 4.888 5.015 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.597 4.001 4.624 1.00 0.00 H new ATOM 0 HG SER A 34 7.813 6.273 4.208 1.00 0.00 H new ATOM 470 N VAL A 35 3.726 3.877 4.039 1.00 0.00 N ATOM 471 CA VAL A 35 2.333 4.308 4.040 1.00 0.00 C ATOM 472 C VAL A 35 2.170 5.633 4.778 1.00 0.00 C ATOM 473 O VAL A 35 2.427 5.722 5.978 1.00 0.00 O ATOM 474 CB VAL A 35 1.417 3.254 4.692 1.00 0.00 C ATOM 475 CG1 VAL A 35 -0.045 3.641 4.533 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.678 1.876 4.100 1.00 0.00 C ATOM 0 H VAL A 35 3.983 3.278 4.824 1.00 0.00 H new ATOM 0 HA VAL A 35 2.041 4.436 2.998 1.00 0.00 H new ATOM 0 HB VAL A 35 1.644 3.215 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.675 2.884 5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.220 4.604 5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.289 3.713 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.021 1.146 4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.483 1.898 3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.717 1.596 4.274 1.00 0.00 H new ATOM 486 N GLY A 36 1.739 6.661 4.052 1.00 0.00 N ATOM 487 CA GLY A 36 1.548 7.966 4.656 1.00 0.00 C ATOM 488 C GLY A 36 2.550 8.989 4.157 1.00 0.00 C ATOM 489 O GLY A 36 2.923 9.908 4.886 1.00 0.00 O ATOM 0 H GLY A 36 1.519 6.613 3.057 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.538 8.317 4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.633 7.877 5.739 1.00 0.00 H new ATOM 493 N SER A 37 2.988 8.829 2.913 1.00 0.00 N ATOM 494 CA SER A 37 3.953 9.745 2.316 1.00 0.00 C ATOM 495 C SER A 37 3.400 10.362 1.036 1.00 0.00 C ATOM 496 O SER A 37 2.803 9.670 0.210 1.00 0.00 O ATOM 497 CB SER A 37 5.264 9.016 2.021 1.00 0.00 C ATOM 498 OG SER A 37 6.208 9.223 3.059 1.00 0.00 O ATOM 0 H SER A 37 2.690 8.072 2.298 1.00 0.00 H new ATOM 0 HA SER A 37 4.144 10.547 3.029 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.073 7.949 1.907 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.675 9.369 1.075 1.00 0.00 H new ATOM 0 HG SER A 37 7.037 8.745 2.847 1.00 0.00 H new ATOM 504 N ARG A 38 3.603 11.666 0.876 1.00 0.00 N ATOM 505 CA ARG A 38 3.126 12.375 -0.306 1.00 0.00 C ATOM 506 C ARG A 38 3.934 11.983 -1.538 1.00 0.00 C ATOM 507 O ARG A 38 5.119 12.303 -1.643 1.00 0.00 O ATOM 508 CB ARG A 38 3.208 13.886 -0.087 1.00 0.00 C ATOM 509 CG ARG A 38 2.123 14.427 0.832 1.00 0.00 C ATOM 510 CD ARG A 38 1.356 15.570 0.183 1.00 0.00 C ATOM 511 NE ARG A 38 0.029 15.155 -0.262 1.00 0.00 N ATOM 512 CZ ARG A 38 -1.021 15.030 0.547 1.00 0.00 C ATOM 513 NH1 ARG A 38 -0.900 15.284 1.845 1.00 0.00 N ATOM 514 NH2 ARG A 38 -2.193 14.650 0.059 1.00 0.00 N ATOM 0 H ARG A 38 4.095 12.253 1.550 1.00 0.00 H new ATOM 0 HA ARG A 38 2.086 12.095 -0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.184 14.132 0.332 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.140 14.389 -1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.432 13.625 1.091 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.573 14.773 1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.260 16.391 0.893 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.922 15.949 -0.668 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.102 14.948 -1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.000 15.576 2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.707 15.187 2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.291 14.453 -0.937 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.997 14.554 0.679 1.00 0.00 H new ATOM 528 N CYS A 39 3.287 11.290 -2.470 1.00 0.00 N ATOM 529 CA CYS A 39 3.947 10.855 -3.695 1.00 0.00 C ATOM 530 C CYS A 39 3.136 11.262 -4.922 1.00 0.00 C ATOM 531 O CYS A 39 1.936 11.519 -4.829 1.00 0.00 O ATOM 532 CB CYS A 39 4.145 9.338 -3.681 1.00 0.00 C ATOM 533 SG CYS A 39 4.864 8.704 -2.149 1.00 0.00 S ATOM 0 H CYS A 39 2.306 11.018 -2.400 1.00 0.00 H new ATOM 0 HA CYS A 39 4.921 11.341 -3.747 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.182 8.855 -3.845 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.788 9.058 -4.515 1.00 0.00 H new ATOM 0 HG CYS A 39 4.100 9.023 -1.147 1.00 0.00 H new ATOM 539 N GLU A 40 3.801 11.320 -6.071 1.00 0.00 N ATOM 540 CA GLU A 40 3.142 11.696 -7.317 1.00 0.00 C ATOM 541 C GLU A 40 2.632 10.463 -8.055 1.00 0.00 C ATOM 542 O GLU A 40 3.221 9.386 -7.968 1.00 0.00 O ATOM 543 CB GLU A 40 4.107 12.480 -8.211 1.00 0.00 C ATOM 544 CG GLU A 40 3.798 13.967 -8.280 1.00 0.00 C ATOM 545 CD GLU A 40 4.767 14.723 -9.169 1.00 0.00 C ATOM 546 OE1 GLU A 40 5.845 15.111 -8.676 1.00 0.00 O ATOM 547 OE2 GLU A 40 4.445 14.926 -10.359 1.00 0.00 O ATOM 0 H GLU A 40 4.795 11.112 -6.166 1.00 0.00 H new ATOM 0 HA GLU A 40 2.289 12.329 -7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.123 12.345 -7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.076 12.064 -9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.783 14.107 -8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.829 14.388 -7.275 1.00 0.00 H new ATOM 554 N VAL A 41 1.532 10.629 -8.784 1.00 0.00 N ATOM 555 CA VAL A 41 0.942 9.531 -9.539 1.00 0.00 C ATOM 556 C VAL A 41 0.762 9.910 -11.004 1.00 0.00 C ATOM 557 O VAL A 41 0.158 10.935 -11.322 1.00 0.00 O ATOM 558 CB VAL A 41 -0.421 9.116 -8.957 1.00 0.00 C ATOM 559 CG1 VAL A 41 -0.923 7.846 -9.626 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.325 8.931 -7.450 1.00 0.00 C ATOM 0 H VAL A 41 1.032 11.514 -8.867 1.00 0.00 H new ATOM 0 HA VAL A 41 1.630 8.689 -9.464 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.138 9.912 -9.157 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.888 7.568 -9.202 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.034 8.018 -10.697 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.208 7.040 -9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.298 8.638 -7.057 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.406 8.155 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.014 9.868 -6.988 1.00 0.00 H new ATOM 570 N ARG A 42 1.290 9.076 -11.894 1.00 0.00 N ATOM 571 CA ARG A 42 1.189 9.323 -13.327 1.00 0.00 C ATOM 572 C ARG A 42 0.059 8.505 -13.942 1.00 0.00 C ATOM 573 O ARG A 42 0.165 7.286 -14.080 1.00 0.00 O ATOM 574 CB ARG A 42 2.512 8.986 -14.017 1.00 0.00 C ATOM 575 CG ARG A 42 2.822 9.883 -15.206 1.00 0.00 C ATOM 576 CD ARG A 42 4.246 10.415 -15.150 1.00 0.00 C ATOM 577 NE ARG A 42 4.907 10.347 -16.450 1.00 0.00 N ATOM 578 CZ ARG A 42 5.439 9.235 -16.954 1.00 0.00 C ATOM 579 NH1 ARG A 42 5.391 8.098 -16.270 1.00 0.00 N ATOM 580 NH2 ARG A 42 6.022 9.259 -18.145 1.00 0.00 N ATOM 0 H ARG A 42 1.792 8.223 -11.648 1.00 0.00 H new ATOM 0 HA ARG A 42 0.969 10.380 -13.474 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.322 9.065 -13.291 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.484 7.949 -14.352 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.678 9.325 -16.131 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.122 10.718 -15.225 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.234 11.448 -14.803 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.819 9.841 -14.422 1.00 0.00 H new ATOM 0 HE ARG A 42 4.965 11.201 -17.005 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.945 8.073 -15.353 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.800 7.250 -16.661 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.063 10.129 -18.675 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.429 8.407 -18.531 1.00 0.00 H new ATOM 594 N ALA A 43 -1.023 9.183 -14.313 1.00 0.00 N ATOM 595 CA ALA A 43 -2.171 8.519 -14.916 1.00 0.00 C ATOM 596 C ALA A 43 -2.412 9.024 -16.337 1.00 0.00 C ATOM 597 O ALA A 43 -2.311 10.222 -16.603 1.00 0.00 O ATOM 598 CB ALA A 43 -3.412 8.732 -14.061 1.00 0.00 C ATOM 0 H ALA A 43 -1.128 10.192 -14.206 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.958 7.451 -14.968 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.263 8.231 -14.523 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.244 8.319 -13.066 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.620 9.799 -13.981 1.00 0.00 H new ATOM 604 N PRO A 44 -2.737 8.115 -17.275 1.00 0.00 N ATOM 605 CA PRO A 44 -2.993 8.481 -18.670 1.00 0.00 C ATOM 606 C PRO A 44 -4.351 9.155 -18.859 1.00 0.00 C ATOM 607 O PRO A 44 -4.654 9.667 -19.937 1.00 0.00 O ATOM 608 CB PRO A 44 -2.960 7.136 -19.394 1.00 0.00 C ATOM 609 CG PRO A 44 -3.392 6.147 -18.368 1.00 0.00 C ATOM 610 CD PRO A 44 -2.883 6.664 -17.049 1.00 0.00 C ATOM 0 HA PRO A 44 -2.267 9.204 -19.042 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.629 7.132 -20.255 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.961 6.910 -19.766 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.477 6.048 -18.355 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.984 5.159 -18.583 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.582 6.453 -16.240 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.933 6.203 -16.778 1.00 0.00 H new ATOM 618 N ASP A 45 -5.166 9.150 -17.808 1.00 0.00 N ATOM 619 CA ASP A 45 -6.489 9.759 -17.863 1.00 0.00 C ATOM 620 C ASP A 45 -6.391 11.265 -18.080 1.00 0.00 C ATOM 621 O ASP A 45 -6.915 11.795 -19.061 1.00 0.00 O ATOM 622 CB ASP A 45 -7.260 9.468 -16.574 1.00 0.00 C ATOM 623 CG ASP A 45 -8.014 8.153 -16.634 1.00 0.00 C ATOM 624 OD1 ASP A 45 -7.422 7.150 -17.087 1.00 0.00 O ATOM 625 OD2 ASP A 45 -9.194 8.127 -16.229 1.00 0.00 O ATOM 0 H ASP A 45 -4.932 8.730 -16.908 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.024 9.325 -18.707 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.564 9.447 -15.735 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.964 10.279 -16.384 1.00 0.00 H new ATOM 630 N HIS A 46 -5.720 11.950 -17.160 1.00 0.00 N ATOM 631 CA HIS A 46 -5.558 13.397 -17.254 1.00 0.00 C ATOM 632 C HIS A 46 -4.082 13.784 -17.248 1.00 0.00 C ATOM 633 O HIS A 46 -3.552 14.255 -18.255 1.00 0.00 O ATOM 634 CB HIS A 46 -6.285 14.088 -16.098 1.00 0.00 C ATOM 635 CG HIS A 46 -6.678 15.501 -16.397 1.00 0.00 C ATOM 636 ND1 HIS A 46 -7.925 16.013 -16.104 1.00 0.00 N ATOM 637 CD2 HIS A 46 -5.981 16.515 -16.964 1.00 0.00 C ATOM 638 CE1 HIS A 46 -7.978 17.279 -16.481 1.00 0.00 C ATOM 639 NE2 HIS A 46 -6.811 17.606 -17.004 1.00 0.00 N ATOM 0 H HIS A 46 -5.280 11.528 -16.342 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.995 13.725 -18.197 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.179 13.516 -15.848 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.643 14.077 -15.217 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.962 16.472 -17.318 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.831 17.934 -16.379 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.566 18.523 -17.378 1.00 0.00 H new ATOM 648 N SER A 47 -3.423 13.582 -16.111 1.00 0.00 N ATOM 649 CA SER A 47 -2.008 13.911 -15.980 1.00 0.00 C ATOM 650 C SER A 47 -1.481 13.518 -14.604 1.00 0.00 C ATOM 651 O SER A 47 -2.155 12.818 -13.847 1.00 0.00 O ATOM 652 CB SER A 47 -1.787 15.407 -16.214 1.00 0.00 C ATOM 653 OG SER A 47 -2.257 16.170 -15.117 1.00 0.00 O ATOM 0 H SER A 47 -3.846 13.193 -15.268 1.00 0.00 H new ATOM 0 HA SER A 47 -1.459 13.346 -16.734 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.726 15.601 -16.368 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.303 15.716 -17.123 1.00 0.00 H new ATOM 0 HG SER A 47 -2.103 17.122 -15.291 1.00 0.00 H new ATOM 659 N LEU A 48 -0.274 13.972 -14.287 1.00 0.00 N ATOM 660 CA LEU A 48 0.345 13.671 -13.002 1.00 0.00 C ATOM 661 C LEU A 48 -0.413 14.344 -11.863 1.00 0.00 C ATOM 662 O LEU A 48 -0.821 15.500 -11.972 1.00 0.00 O ATOM 663 CB LEU A 48 1.807 14.125 -12.998 1.00 0.00 C ATOM 664 CG LEU A 48 2.817 13.064 -13.439 1.00 0.00 C ATOM 665 CD1 LEU A 48 4.148 13.708 -13.791 1.00 0.00 C ATOM 666 CD2 LEU A 48 3.001 12.019 -12.348 1.00 0.00 C ATOM 0 H LEU A 48 0.296 14.551 -14.904 1.00 0.00 H new ATOM 0 HA LEU A 48 0.307 12.592 -12.851 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.904 14.991 -13.653 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.066 14.455 -11.992 1.00 0.00 H new ATOM 0 HG LEU A 48 2.430 12.568 -14.329 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.854 12.938 -14.102 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.004 14.419 -14.605 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.542 14.230 -12.919 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.723 11.272 -12.678 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.366 12.500 -11.441 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.046 11.535 -12.143 1.00 0.00 H new ATOM 678 N ARG A 49 -0.600 13.613 -10.768 1.00 0.00 N ATOM 679 CA ARG A 49 -1.310 14.141 -9.609 1.00 0.00 C ATOM 680 C ARG A 49 -0.579 13.793 -8.316 1.00 0.00 C ATOM 681 O ARG A 49 0.078 12.755 -8.223 1.00 0.00 O ATOM 682 CB ARG A 49 -2.737 13.593 -9.566 1.00 0.00 C ATOM 683 CG ARG A 49 -3.535 13.869 -10.828 1.00 0.00 C ATOM 684 CD ARG A 49 -4.268 15.198 -10.745 1.00 0.00 C ATOM 685 NE ARG A 49 -3.368 16.333 -10.934 1.00 0.00 N ATOM 686 CZ ARG A 49 -3.755 17.605 -10.868 1.00 0.00 C ATOM 687 NH1 ARG A 49 -5.023 17.908 -10.618 1.00 0.00 N ATOM 688 NH2 ARG A 49 -2.871 18.577 -11.052 1.00 0.00 N ATOM 0 H ARG A 49 -0.270 12.654 -10.660 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.348 15.226 -9.701 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.699 12.517 -9.399 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.259 14.029 -8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.866 13.875 -11.689 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.254 13.065 -10.988 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.052 15.227 -11.502 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.758 15.282 -9.775 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.385 16.140 -11.128 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.706 17.164 -10.475 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.314 18.884 -10.569 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.895 18.349 -11.244 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.167 19.552 -11.002 1.00 0.00 H new ATOM 702 N ARG A 50 -0.698 14.666 -7.322 1.00 0.00 N ATOM 703 CA ARG A 50 -0.050 14.452 -6.034 1.00 0.00 C ATOM 704 C ARG A 50 -1.014 13.817 -5.038 1.00 0.00 C ATOM 705 O ARG A 50 -2.183 14.192 -4.964 1.00 0.00 O ATOM 706 CB ARG A 50 0.476 15.776 -5.479 1.00 0.00 C ATOM 707 CG ARG A 50 1.895 16.098 -5.919 1.00 0.00 C ATOM 708 CD ARG A 50 2.921 15.412 -5.034 1.00 0.00 C ATOM 709 NE ARG A 50 4.195 16.126 -5.017 1.00 0.00 N ATOM 710 CZ ARG A 50 5.137 15.942 -4.095 1.00 0.00 C ATOM 711 NH1 ARG A 50 4.952 15.066 -3.113 1.00 0.00 N ATOM 712 NH2 ARG A 50 6.267 16.633 -4.154 1.00 0.00 N ATOM 0 H ARG A 50 -1.238 15.529 -7.384 1.00 0.00 H new ATOM 0 HA ARG A 50 0.787 13.771 -6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.186 16.582 -5.796 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.440 15.744 -4.390 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.037 15.784 -6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.050 17.176 -5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.533 15.340 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.081 14.393 -5.387 1.00 0.00 H new ATOM 0 HE ARG A 50 4.373 16.806 -5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.085 14.531 -3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.677 14.929 -2.409 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.415 17.306 -4.906 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.989 16.492 -3.447 1.00 0.00 H new ATOM 726 N GLY A 51 -0.514 12.852 -4.273 1.00 0.00 N ATOM 727 CA GLY A 51 -1.343 12.180 -3.290 1.00 0.00 C ATOM 728 C GLY A 51 -0.528 11.542 -2.181 1.00 0.00 C ATOM 729 O GLY A 51 0.697 11.654 -2.161 1.00 0.00 O ATOM 0 H GLY A 51 0.451 12.523 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.041 12.897 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.939 11.414 -3.785 1.00 0.00 H new ATOM 733 N THR A 52 -1.210 10.874 -1.257 1.00 0.00 N ATOM 734 CA THR A 52 -0.541 10.216 -0.141 1.00 0.00 C ATOM 735 C THR A 52 -0.826 8.717 -0.142 1.00 0.00 C ATOM 736 O THR A 52 -1.961 8.291 -0.351 1.00 0.00 O ATOM 737 CB THR A 52 -0.992 10.832 1.184 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.097 12.240 1.073 1.00 0.00 O ATOM 739 CG2 THR A 52 -0.055 10.531 2.334 1.00 0.00 C ATOM 0 H THR A 52 -2.225 10.774 -1.259 1.00 0.00 H new ATOM 0 HA THR A 52 0.533 10.363 -0.256 1.00 0.00 H new ATOM 0 HB THR A 52 -1.960 10.379 1.397 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.388 12.615 1.930 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.434 10.997 3.244 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.009 9.453 2.479 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.936 10.926 2.109 1.00 0.00 H new ATOM 747 N VAL A 53 0.214 7.923 0.093 1.00 0.00 N ATOM 748 CA VAL A 53 0.076 6.472 0.119 1.00 0.00 C ATOM 749 C VAL A 53 -0.766 6.023 1.309 1.00 0.00 C ATOM 750 O VAL A 53 -0.481 6.376 2.454 1.00 0.00 O ATOM 751 CB VAL A 53 1.450 5.777 0.184 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.295 4.270 0.053 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.377 6.321 -0.892 1.00 0.00 C ATOM 0 H VAL A 53 1.161 8.260 0.268 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.423 6.184 -0.806 1.00 0.00 H new ATOM 0 HB VAL A 53 1.896 5.989 1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.276 3.798 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.672 3.896 0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.825 4.034 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.342 5.818 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.938 6.144 -1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.516 7.392 -0.745 1.00 0.00 H new ATOM 763 N MET A 54 -1.806 5.243 1.031 1.00 0.00 N ATOM 764 CA MET A 54 -2.691 4.746 2.078 1.00 0.00 C ATOM 765 C MET A 54 -2.611 3.226 2.181 1.00 0.00 C ATOM 766 O MET A 54 -2.589 2.669 3.278 1.00 0.00 O ATOM 767 CB MET A 54 -4.133 5.175 1.804 1.00 0.00 C ATOM 768 CG MET A 54 -4.278 6.656 1.492 1.00 0.00 C ATOM 769 SD MET A 54 -5.921 7.080 0.883 1.00 0.00 S ATOM 770 CE MET A 54 -5.828 6.467 -0.797 1.00 0.00 C ATOM 0 H MET A 54 -2.056 4.942 0.089 1.00 0.00 H new ATOM 0 HA MET A 54 -2.367 5.175 3.026 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.523 4.596 0.967 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.746 4.933 2.672 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.068 7.235 2.391 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.534 6.941 0.748 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.688 6.825 -1.363 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.911 6.825 -1.265 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.828 5.377 -0.787 1.00 0.00 H new ATOM 780 N TYR A 55 -2.569 2.562 1.030 1.00 0.00 N ATOM 781 CA TYR A 55 -2.492 1.106 0.990 1.00 0.00 C ATOM 782 C TYR A 55 -1.542 0.642 -0.107 1.00 0.00 C ATOM 783 O TYR A 55 -1.509 1.213 -1.197 1.00 0.00 O ATOM 784 CB TYR A 55 -3.882 0.508 0.766 1.00 0.00 C ATOM 785 CG TYR A 55 -3.971 -0.962 1.106 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.372 -1.920 0.298 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.654 -1.393 2.237 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.450 -3.265 0.606 1.00 0.00 C ATOM 789 CE2 TYR A 55 -4.737 -2.737 2.552 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.135 -3.668 1.733 1.00 0.00 C ATOM 791 OH TYR A 55 -4.215 -5.006 2.043 1.00 0.00 O ATOM 0 H TYR A 55 -2.587 3.009 0.113 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.106 0.760 1.949 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.606 1.056 1.369 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.165 0.649 -0.277 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.836 -1.608 -0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.128 -0.666 2.880 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.977 -3.996 -0.032 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.271 -3.056 3.435 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.731 -5.120 2.868 1.00 0.00 H new ATOM 801 N VAL A 56 -0.770 -0.399 0.187 1.00 0.00 N ATOM 802 CA VAL A 56 0.183 -0.941 -0.775 1.00 0.00 C ATOM 803 C VAL A 56 0.248 -2.462 -0.685 1.00 0.00 C ATOM 804 O VAL A 56 0.866 -3.014 0.225 1.00 0.00 O ATOM 805 CB VAL A 56 1.593 -0.365 -0.556 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.522 -0.781 -1.687 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.537 1.150 -0.433 1.00 0.00 C ATOM 0 H VAL A 56 -0.786 -0.884 1.084 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.169 -0.652 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 56 1.990 -0.768 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.514 -0.364 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.586 -1.868 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.132 -0.409 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.543 1.540 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.120 1.574 -1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.908 1.423 0.414 1.00 0.00 H new ATOM 817 N GLY A 57 -0.393 -3.133 -1.636 1.00 0.00 N ATOM 818 CA GLY A 57 -0.395 -4.584 -1.646 1.00 0.00 C ATOM 819 C GLY A 57 -1.270 -5.155 -2.744 1.00 0.00 C ATOM 820 O GLY A 57 -1.830 -4.413 -3.551 1.00 0.00 O ATOM 0 H GLY A 57 -0.911 -2.698 -2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.626 -4.945 -1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.744 -4.950 -0.680 1.00 0.00 H new ATOM 824 N LEU A 58 -1.389 -6.479 -2.776 1.00 0.00 N ATOM 825 CA LEU A 58 -2.202 -7.150 -3.783 1.00 0.00 C ATOM 826 C LEU A 58 -3.658 -6.701 -3.697 1.00 0.00 C ATOM 827 O LEU A 58 -4.023 -5.914 -2.824 1.00 0.00 O ATOM 828 CB LEU A 58 -2.112 -8.668 -3.613 1.00 0.00 C ATOM 829 CG LEU A 58 -0.772 -9.286 -4.016 1.00 0.00 C ATOM 830 CD1 LEU A 58 -0.423 -10.449 -3.099 1.00 0.00 C ATOM 831 CD2 LEU A 58 -0.811 -9.742 -5.466 1.00 0.00 C ATOM 0 H LEU A 58 -0.932 -7.108 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.816 -6.878 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.309 -8.914 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.901 -9.132 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 58 0.002 -8.526 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.533 -10.876 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.353 -10.094 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.199 -11.212 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.150 -10.179 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.597 -10.487 -5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.015 -8.887 -6.111 1.00 0.00 H new ATOM 843 N THR A 59 -4.482 -7.206 -4.607 1.00 0.00 N ATOM 844 CA THR A 59 -5.898 -6.857 -4.633 1.00 0.00 C ATOM 845 C THR A 59 -6.752 -8.069 -4.994 1.00 0.00 C ATOM 846 O THR A 59 -6.235 -9.170 -5.181 1.00 0.00 O ATOM 847 CB THR A 59 -6.146 -5.728 -5.635 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.452 -5.970 -6.846 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.719 -4.370 -5.123 1.00 0.00 C ATOM 0 H THR A 59 -4.195 -7.858 -5.337 1.00 0.00 H new ATOM 0 HA THR A 59 -6.182 -6.520 -3.636 1.00 0.00 H new ATOM 0 HB THR A 59 -7.224 -5.715 -5.795 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.331 -5.125 -7.328 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.922 -3.615 -5.882 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.275 -4.132 -4.216 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.652 -4.384 -4.902 1.00 0.00 H new ATOM 857 N ASP A 60 -8.061 -7.858 -5.091 1.00 0.00 N ATOM 858 CA ASP A 60 -8.986 -8.933 -5.430 1.00 0.00 C ATOM 859 C ASP A 60 -9.767 -8.604 -6.698 1.00 0.00 C ATOM 860 O ASP A 60 -10.887 -9.078 -6.889 1.00 0.00 O ATOM 861 CB ASP A 60 -9.954 -9.184 -4.272 1.00 0.00 C ATOM 862 CG ASP A 60 -9.348 -10.056 -3.190 1.00 0.00 C ATOM 863 OD1 ASP A 60 -8.134 -9.916 -2.925 1.00 0.00 O ATOM 864 OD2 ASP A 60 -10.085 -10.879 -2.608 1.00 0.00 O ATOM 0 H ASP A 60 -8.505 -6.952 -4.940 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.402 -9.836 -5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.254 -8.229 -3.840 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.858 -9.659 -4.654 1.00 0.00 H new ATOM 869 N PHE A 61 -9.170 -7.792 -7.564 1.00 0.00 N ATOM 870 CA PHE A 61 -9.813 -7.403 -8.815 1.00 0.00 C ATOM 871 C PHE A 61 -8.819 -7.438 -9.973 1.00 0.00 C ATOM 872 O PHE A 61 -9.132 -7.936 -11.055 1.00 0.00 O ATOM 873 CB PHE A 61 -10.424 -6.006 -8.690 1.00 0.00 C ATOM 874 CG PHE A 61 -9.438 -4.949 -8.277 1.00 0.00 C ATOM 875 CD1 PHE A 61 -8.648 -4.313 -9.221 1.00 0.00 C ATOM 876 CD2 PHE A 61 -9.305 -4.590 -6.946 1.00 0.00 C ATOM 877 CE1 PHE A 61 -7.742 -3.339 -8.845 1.00 0.00 C ATOM 878 CE2 PHE A 61 -8.401 -3.617 -6.563 1.00 0.00 C ATOM 879 CZ PHE A 61 -7.619 -2.992 -7.514 1.00 0.00 C ATOM 0 H PHE A 61 -8.243 -7.391 -7.423 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.608 -8.119 -9.022 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -10.865 -5.725 -9.647 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.235 -6.038 -7.962 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.741 -4.581 -10.263 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.915 -5.076 -6.199 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.132 -2.851 -9.590 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.307 -3.346 -5.522 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.911 -2.232 -7.217 1.00 0.00 H new ATOM 889 N LYS A 62 -7.624 -6.907 -9.740 1.00 0.00 N ATOM 890 CA LYS A 62 -6.587 -6.880 -10.765 1.00 0.00 C ATOM 891 C LYS A 62 -5.272 -7.440 -10.226 1.00 0.00 C ATOM 892 O LYS A 62 -4.968 -7.300 -9.041 1.00 0.00 O ATOM 893 CB LYS A 62 -6.376 -5.451 -11.268 1.00 0.00 C ATOM 894 CG LYS A 62 -7.385 -5.023 -12.324 1.00 0.00 C ATOM 895 CD LYS A 62 -6.732 -4.858 -13.688 1.00 0.00 C ATOM 896 CE LYS A 62 -6.328 -3.415 -13.942 1.00 0.00 C ATOM 897 NZ LYS A 62 -7.296 -2.713 -14.829 1.00 0.00 N ATOM 0 H LYS A 62 -7.349 -6.490 -8.851 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.915 -7.507 -11.594 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.433 -4.765 -10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.371 -5.365 -11.681 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.182 -5.764 -12.389 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.848 -4.083 -12.026 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.853 -5.499 -13.752 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.423 -5.186 -14.465 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.257 -2.886 -12.992 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.337 -3.390 -14.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.983 -1.732 -14.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.345 -3.202 -15.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.237 -2.713 -14.385 1.00 0.00 H new ATOM 911 N PRO A 63 -4.472 -8.084 -11.094 1.00 0.00 N ATOM 912 CA PRO A 63 -3.186 -8.666 -10.699 1.00 0.00 C ATOM 913 C PRO A 63 -2.133 -7.601 -10.407 1.00 0.00 C ATOM 914 O PRO A 63 -2.345 -6.417 -10.670 1.00 0.00 O ATOM 915 CB PRO A 63 -2.782 -9.497 -11.918 1.00 0.00 C ATOM 916 CG PRO A 63 -3.462 -8.836 -13.066 1.00 0.00 C ATOM 917 CD PRO A 63 -4.759 -8.296 -12.526 1.00 0.00 C ATOM 0 HA PRO A 63 -3.267 -9.246 -9.780 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.700 -9.506 -12.050 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.099 -10.534 -11.813 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.846 -8.035 -13.475 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.641 -9.545 -13.874 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.044 -7.367 -13.020 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.579 -9.000 -12.672 1.00 0.00 H new ATOM 925 N GLY A 64 -1.000 -8.030 -9.862 1.00 0.00 N ATOM 926 CA GLY A 64 0.068 -7.100 -9.545 1.00 0.00 C ATOM 927 C GLY A 64 -0.207 -6.310 -8.281 1.00 0.00 C ATOM 928 O GLY A 64 -1.325 -6.318 -7.767 1.00 0.00 O ATOM 0 H GLY A 64 -0.802 -9.004 -9.634 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.002 -7.650 -9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.204 -6.411 -10.378 1.00 0.00 H new ATOM 932 N TYR A 65 0.817 -5.627 -7.778 1.00 0.00 N ATOM 933 CA TYR A 65 0.681 -4.828 -6.566 1.00 0.00 C ATOM 934 C TYR A 65 0.071 -3.465 -6.877 1.00 0.00 C ATOM 935 O TYR A 65 0.490 -2.786 -7.815 1.00 0.00 O ATOM 936 CB TYR A 65 2.043 -4.648 -5.894 1.00 0.00 C ATOM 937 CG TYR A 65 2.595 -5.919 -5.289 1.00 0.00 C ATOM 938 CD1 TYR A 65 2.198 -6.339 -4.026 1.00 0.00 C ATOM 939 CD2 TYR A 65 3.512 -6.699 -5.982 1.00 0.00 C ATOM 940 CE1 TYR A 65 2.700 -7.500 -3.470 1.00 0.00 C ATOM 941 CE2 TYR A 65 4.019 -7.861 -5.432 1.00 0.00 C ATOM 942 CZ TYR A 65 3.609 -8.257 -4.177 1.00 0.00 C ATOM 943 OH TYR A 65 4.112 -9.415 -3.627 1.00 0.00 O ATOM 0 H TYR A 65 1.749 -5.611 -8.191 1.00 0.00 H new ATOM 0 HA TYR A 65 0.014 -5.357 -5.885 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.753 -4.267 -6.628 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.956 -3.892 -5.113 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.485 -5.748 -3.469 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.834 -6.392 -6.966 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.382 -7.813 -2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.733 -8.456 -5.983 1.00 0.00 H new ATOM 0 HH TYR A 65 4.544 -9.949 -4.326 1.00 0.00 H new ATOM 953 N TRP A 66 -0.920 -3.070 -6.085 1.00 0.00 N ATOM 954 CA TRP A 66 -1.588 -1.788 -6.275 1.00 0.00 C ATOM 955 C TRP A 66 -1.272 -0.835 -5.126 1.00 0.00 C ATOM 956 O TRP A 66 -0.947 -1.266 -4.021 1.00 0.00 O ATOM 957 CB TRP A 66 -3.100 -1.987 -6.385 1.00 0.00 C ATOM 958 CG TRP A 66 -3.521 -2.644 -7.665 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.721 -3.979 -7.873 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.791 -1.997 -8.913 1.00 0.00 C ATOM 961 NE1 TRP A 66 -4.100 -4.201 -9.174 1.00 0.00 N ATOM 962 CE2 TRP A 66 -4.150 -3.001 -9.833 1.00 0.00 C ATOM 963 CE3 TRP A 66 -3.766 -0.667 -9.343 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.481 -2.714 -11.156 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.094 -0.386 -10.655 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.448 -1.405 -11.548 1.00 0.00 C ATOM 0 H TRP A 66 -1.279 -3.620 -5.305 1.00 0.00 H new ATOM 0 HA TRP A 66 -1.218 -1.349 -7.202 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.442 -2.592 -5.545 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.594 -1.019 -6.302 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.599 -4.747 -7.124 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -4.310 -5.111 -9.583 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.495 0.126 -8.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -4.754 -3.498 -11.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.077 0.638 -10.998 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -4.700 -1.151 -12.567 1.00 0.00 H new ATOM 977 N VAL A 67 -1.371 0.462 -5.396 1.00 0.00 N ATOM 978 CA VAL A 67 -1.096 1.476 -4.386 1.00 0.00 C ATOM 979 C VAL A 67 -2.224 2.499 -4.314 1.00 0.00 C ATOM 980 O VAL A 67 -2.389 3.321 -5.216 1.00 0.00 O ATOM 981 CB VAL A 67 0.228 2.209 -4.671 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.595 3.122 -3.511 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.343 1.210 -4.946 1.00 0.00 C ATOM 0 H VAL A 67 -1.640 0.836 -6.306 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.017 0.957 -3.431 1.00 0.00 H new ATOM 0 HB VAL A 67 0.096 2.826 -5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.533 3.631 -3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.193 3.861 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.708 2.529 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.271 1.746 -5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.476 0.565 -4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.082 0.603 -5.812 1.00 0.00 H new ATOM 993 N GLY A 68 -3.000 2.442 -3.237 1.00 0.00 N ATOM 994 CA GLY A 68 -4.104 3.368 -3.067 1.00 0.00 C ATOM 995 C GLY A 68 -3.638 4.773 -2.741 1.00 0.00 C ATOM 996 O GLY A 68 -3.081 5.017 -1.671 1.00 0.00 O ATOM 0 H GLY A 68 -2.884 1.770 -2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.700 3.389 -3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.755 3.010 -2.269 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.867 5.701 -3.665 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.467 7.090 -3.472 1.00 0.00 C ATOM 1002 C VAL A 69 -4.660 8.028 -3.614 1.00 0.00 C ATOM 1003 O VAL A 69 -5.361 8.010 -4.626 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.379 7.507 -4.479 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.841 8.889 -4.144 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.255 6.481 -4.507 1.00 0.00 C ATOM 0 H VAL A 69 -4.328 5.516 -4.556 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.064 7.166 -2.462 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.827 7.549 -5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.073 9.166 -4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.653 9.615 -4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.410 8.879 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.496 6.793 -5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.808 6.404 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.655 5.511 -4.801 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.887 8.848 -2.593 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.996 9.796 -2.604 1.00 0.00 C ATOM 1018 C ARG A 70 -5.543 11.157 -3.120 1.00 0.00 C ATOM 1019 O ARG A 70 -4.417 11.585 -2.865 1.00 0.00 O ATOM 1020 CB ARG A 70 -6.585 9.940 -1.200 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.849 10.781 -1.154 1.00 0.00 C ATOM 1022 CD ARG A 70 -7.952 11.563 0.146 1.00 0.00 C ATOM 1023 NE ARG A 70 -7.161 12.791 0.110 1.00 0.00 N ATOM 1024 CZ ARG A 70 -7.339 13.813 0.942 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -8.279 13.759 1.879 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -6.576 14.892 0.841 1.00 0.00 N ATOM 0 H ARG A 70 -4.318 8.875 -1.747 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.764 9.411 -3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.804 8.949 -0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.837 10.387 -0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.858 11.472 -1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.721 10.135 -1.261 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.996 11.810 0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.614 10.938 0.973 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.428 12.869 -0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.868 12.931 1.963 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.411 14.546 2.515 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.851 14.939 0.125 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.713 15.675 1.480 1.00 0.00 H new ATOM 1040 N TYR A 71 -6.426 11.833 -3.847 1.00 0.00 N ATOM 1041 CA TYR A 71 -6.117 13.147 -4.400 1.00 0.00 C ATOM 1042 C TYR A 71 -6.951 14.231 -3.727 1.00 0.00 C ATOM 1043 O TYR A 71 -8.074 13.983 -3.289 1.00 0.00 O ATOM 1044 CB TYR A 71 -6.364 13.159 -5.909 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.635 12.062 -6.652 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -4.301 11.782 -6.381 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.280 11.307 -7.622 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.631 10.780 -7.058 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -5.617 10.303 -8.302 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.293 10.043 -8.017 1.00 0.00 C ATOM 1051 OH TYR A 71 -3.630 9.045 -8.692 1.00 0.00 O ATOM 0 H TYR A 71 -7.362 11.493 -4.067 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.064 13.355 -4.210 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.434 13.062 -6.094 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.057 14.124 -6.311 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.779 12.356 -5.630 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.317 11.507 -7.849 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.594 10.575 -6.837 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.134 9.724 -9.053 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.606 8.236 -8.139 1.00 0.00 H new ATOM 1061 N ASP A 72 -6.395 15.436 -3.649 1.00 0.00 N ATOM 1062 CA ASP A 72 -7.087 16.560 -3.030 1.00 0.00 C ATOM 1063 C ASP A 72 -8.345 16.923 -3.814 1.00 0.00 C ATOM 1064 O ASP A 72 -9.400 17.175 -3.233 1.00 0.00 O ATOM 1065 CB ASP A 72 -6.158 17.772 -2.943 1.00 0.00 C ATOM 1066 CG ASP A 72 -5.433 17.849 -1.613 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -6.005 17.400 -0.598 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -4.293 18.360 -1.588 1.00 0.00 O ATOM 0 H ASP A 72 -5.466 15.659 -4.007 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.381 16.264 -2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.427 17.725 -3.750 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.738 18.683 -3.091 1.00 0.00 H new ATOM 1073 N GLU A 73 -8.224 16.948 -5.138 1.00 0.00 N ATOM 1074 CA GLU A 73 -9.351 17.280 -6.001 1.00 0.00 C ATOM 1075 C GLU A 73 -10.086 16.018 -6.448 1.00 0.00 C ATOM 1076 O GLU A 73 -9.481 14.954 -6.588 1.00 0.00 O ATOM 1077 CB GLU A 73 -8.869 18.062 -7.225 1.00 0.00 C ATOM 1078 CG GLU A 73 -8.507 19.507 -6.919 1.00 0.00 C ATOM 1079 CD GLU A 73 -9.645 20.466 -7.205 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -10.239 20.375 -8.299 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -9.944 21.309 -6.332 1.00 0.00 O ATOM 0 H GLU A 73 -7.358 16.742 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.043 17.899 -5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.999 17.560 -7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.648 18.045 -7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.220 19.592 -5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.638 19.793 -7.511 1.00 0.00 H new ATOM 1088 N PRO A 74 -11.406 16.120 -6.679 1.00 0.00 N ATOM 1089 CA PRO A 74 -12.221 14.981 -7.112 1.00 0.00 C ATOM 1090 C PRO A 74 -11.906 14.553 -8.541 1.00 0.00 C ATOM 1091 O PRO A 74 -12.646 14.870 -9.474 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.654 15.511 -7.014 1.00 0.00 C ATOM 1093 CG PRO A 74 -13.522 16.987 -7.166 1.00 0.00 C ATOM 1094 CD PRO A 74 -12.206 17.351 -6.537 1.00 0.00 C ATOM 0 HA PRO A 74 -12.039 14.095 -6.504 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.287 15.088 -7.794 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.108 15.250 -6.058 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.545 17.275 -8.217 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.346 17.505 -6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.738 18.195 -7.044 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.325 17.634 -5.491 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.802 13.832 -8.707 1.00 0.00 N ATOM 1103 CA LEU A 75 -10.386 13.361 -10.024 1.00 0.00 C ATOM 1104 C LEU A 75 -9.959 11.898 -9.967 1.00 0.00 C ATOM 1105 O LEU A 75 -9.090 11.465 -10.724 1.00 0.00 O ATOM 1106 CB LEU A 75 -9.235 14.219 -10.555 1.00 0.00 C ATOM 1107 CG LEU A 75 -9.544 15.714 -10.672 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -8.403 16.542 -10.100 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -9.803 16.093 -12.123 1.00 0.00 C ATOM 0 H LEU A 75 -10.179 13.561 -7.946 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.237 13.448 -10.700 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.374 14.091 -9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.946 13.845 -11.537 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.444 15.925 -10.095 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.641 17.602 -10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.263 16.291 -9.048 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.486 16.327 -10.649 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.021 17.159 -12.187 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.921 15.866 -12.721 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.653 15.525 -12.501 1.00 0.00 H new ATOM 1121 N GLY A 76 -10.575 11.141 -9.065 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.245 9.735 -8.927 1.00 0.00 C ATOM 1123 C GLY A 76 -11.196 8.835 -9.690 1.00 0.00 C ATOM 1124 O GLY A 76 -12.258 9.276 -10.131 1.00 0.00 O ATOM 0 H GLY A 76 -11.297 11.476 -8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.228 9.568 -9.283 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.262 9.464 -7.871 1.00 0.00 H new ATOM 1128 N LYS A 77 -10.815 7.572 -9.845 1.00 0.00 N ATOM 1129 CA LYS A 77 -11.641 6.606 -10.560 1.00 0.00 C ATOM 1130 C LYS A 77 -12.322 5.649 -9.587 1.00 0.00 C ATOM 1131 O LYS A 77 -13.438 5.190 -9.830 1.00 0.00 O ATOM 1132 CB LYS A 77 -10.792 5.817 -11.559 1.00 0.00 C ATOM 1133 CG LYS A 77 -10.225 6.671 -12.681 1.00 0.00 C ATOM 1134 CD LYS A 77 -11.328 7.304 -13.516 1.00 0.00 C ATOM 1135 CE LYS A 77 -11.405 8.806 -13.291 1.00 0.00 C ATOM 1136 NZ LYS A 77 -12.262 9.475 -14.309 1.00 0.00 N ATOM 0 H LYS A 77 -9.939 7.193 -9.485 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.411 7.155 -11.102 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.970 5.338 -11.027 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.399 5.021 -11.990 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.593 7.453 -12.260 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.590 6.058 -13.321 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.148 7.102 -14.572 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.285 6.848 -13.263 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.801 9.004 -12.295 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.402 9.230 -13.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.289 10.498 -14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.870 9.307 -15.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.226 9.088 -14.260 1.00 0.00 H new ATOM 1150 N ASN A 78 -11.641 5.352 -8.485 1.00 0.00 N ATOM 1151 CA ASN A 78 -12.179 4.449 -7.474 1.00 0.00 C ATOM 1152 C ASN A 78 -12.548 5.212 -6.205 1.00 0.00 C ATOM 1153 O ASN A 78 -12.259 6.402 -6.079 1.00 0.00 O ATOM 1154 CB ASN A 78 -11.163 3.353 -7.145 1.00 0.00 C ATOM 1155 CG ASN A 78 -10.661 2.642 -8.387 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -11.113 1.545 -8.713 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -9.720 3.266 -9.086 1.00 0.00 N ATOM 0 H ASN A 78 -10.716 5.723 -8.269 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.081 3.989 -7.877 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.318 3.791 -6.614 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.620 2.627 -6.473 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.343 2.836 -9.931 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.375 4.175 -8.778 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.187 4.519 -5.268 1.00 0.00 N ATOM 1165 CA ASP A 79 -13.595 5.133 -4.009 1.00 0.00 C ATOM 1166 C ASP A 79 -12.792 4.567 -2.842 1.00 0.00 C ATOM 1167 O ASP A 79 -12.465 5.283 -1.896 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.090 4.909 -3.770 1.00 0.00 C ATOM 1169 CG ASP A 79 -15.467 3.442 -3.794 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -15.700 2.906 -4.899 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -15.529 2.826 -2.709 1.00 0.00 O ATOM 0 H ASP A 79 -13.433 3.533 -5.356 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.400 6.203 -4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.369 5.337 -2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.660 5.440 -4.532 1.00 0.00 H new ATOM 1176 N GLY A 80 -12.479 3.277 -2.916 1.00 0.00 N ATOM 1177 CA GLY A 80 -11.718 2.638 -1.859 1.00 0.00 C ATOM 1178 C GLY A 80 -12.122 1.193 -1.644 1.00 0.00 C ATOM 1179 O GLY A 80 -11.311 0.371 -1.219 1.00 0.00 O ATOM 0 H GLY A 80 -12.739 2.664 -3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.656 2.683 -2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.856 3.192 -0.931 1.00 0.00 H new ATOM 1183 N SER A 81 -13.380 0.883 -1.940 1.00 0.00 N ATOM 1184 CA SER A 81 -13.893 -0.472 -1.778 1.00 0.00 C ATOM 1185 C SER A 81 -14.136 -1.127 -3.132 1.00 0.00 C ATOM 1186 O SER A 81 -14.934 -0.641 -3.935 1.00 0.00 O ATOM 1187 CB SER A 81 -15.189 -0.455 -0.966 1.00 0.00 C ATOM 1188 OG SER A 81 -15.213 0.637 -0.064 1.00 0.00 O ATOM 0 H SER A 81 -14.063 1.553 -2.294 1.00 0.00 H new ATOM 0 HA SER A 81 -13.144 -1.056 -1.242 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.043 -0.392 -1.640 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.287 -1.389 -0.413 1.00 0.00 H new ATOM 0 HG SER A 81 -16.053 0.626 0.441 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.443 -2.234 -3.383 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.584 -2.956 -4.641 1.00 0.00 C ATOM 1196 C VAL A 82 -13.969 -4.411 -4.400 1.00 0.00 C ATOM 1197 O VAL A 82 -13.234 -5.159 -3.754 1.00 0.00 O ATOM 1198 CB VAL A 82 -12.282 -2.912 -5.464 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -12.516 -3.463 -6.863 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -11.736 -1.494 -5.526 1.00 0.00 C ATOM 0 H VAL A 82 -12.778 -2.650 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.377 -2.461 -5.202 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.541 -3.540 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.586 -3.424 -7.430 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.856 -4.496 -6.795 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.274 -2.864 -7.368 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.817 -1.483 -6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.472 -0.841 -5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.527 -1.140 -4.516 1.00 0.00 H new ATOM 1210 N ASN A 83 -15.123 -4.806 -4.924 1.00 0.00 N ATOM 1211 CA ASN A 83 -15.606 -6.174 -4.766 1.00 0.00 C ATOM 1212 C ASN A 83 -15.806 -6.513 -3.293 1.00 0.00 C ATOM 1213 O ASN A 83 -15.681 -7.670 -2.890 1.00 0.00 O ATOM 1214 CB ASN A 83 -14.625 -7.160 -5.401 1.00 0.00 C ATOM 1215 CG ASN A 83 -14.911 -7.392 -6.872 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -15.213 -6.318 -7.592 1.00 0.00 O flip ATOM 1217 ND2 ASN A 83 -14.861 -8.523 -7.356 1.00 0.00 N flip ATOM 0 H ASN A 83 -15.742 -4.199 -5.462 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.568 -6.254 -5.272 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.609 -6.783 -5.286 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.674 -8.110 -4.870 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.625 -9.320 -6.766 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.056 -8.663 -8.347 1.00 0.00 H new ATOM 1224 N GLY A 84 -16.116 -5.497 -2.495 1.00 0.00 N ATOM 1225 CA GLY A 84 -16.328 -5.707 -1.075 1.00 0.00 C ATOM 1226 C GLY A 84 -15.084 -5.430 -0.253 1.00 0.00 C ATOM 1227 O GLY A 84 -15.176 -5.024 0.905 1.00 0.00 O ATOM 0 H GLY A 84 -16.224 -4.532 -2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -17.137 -5.061 -0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.648 -6.735 -0.907 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.919 -5.649 -0.854 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.651 -5.421 -0.169 1.00 0.00 C ATOM 1233 C LYS A 85 -12.323 -3.932 -0.111 1.00 0.00 C ATOM 1234 O LYS A 85 -12.554 -3.198 -1.072 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.524 -6.176 -0.874 1.00 0.00 C ATOM 1236 CG LYS A 85 -10.424 -6.644 0.065 1.00 0.00 C ATOM 1237 CD LYS A 85 -9.895 -8.013 -0.334 1.00 0.00 C ATOM 1238 CE LYS A 85 -10.915 -9.109 -0.059 1.00 0.00 C ATOM 1239 NZ LYS A 85 -10.395 -10.125 0.897 1.00 0.00 N ATOM 0 H LYS A 85 -13.826 -5.984 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.746 -5.793 0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.943 -7.041 -1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.088 -5.532 -1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.608 -5.922 0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.807 -6.684 1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.639 -8.010 -1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.977 -8.223 0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.825 -8.665 0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.185 -9.597 -0.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.120 -10.854 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.541 -10.568 0.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.161 -9.665 1.800 1.00 0.00 H new ATOM 1253 N ARG A 86 -11.784 -3.493 1.022 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.424 -2.092 1.206 1.00 0.00 C ATOM 1255 C ARG A 86 -9.925 -1.942 1.449 1.00 0.00 C ATOM 1256 O ARG A 86 -9.256 -2.889 1.861 1.00 0.00 O ATOM 1257 CB ARG A 86 -12.205 -1.492 2.378 1.00 0.00 C ATOM 1258 CG ARG A 86 -12.642 -0.055 2.145 1.00 0.00 C ATOM 1259 CD ARG A 86 -12.845 0.684 3.458 1.00 0.00 C ATOM 1260 NE ARG A 86 -13.733 -0.043 4.363 1.00 0.00 N ATOM 1261 CZ ARG A 86 -13.807 0.188 5.672 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -13.049 1.124 6.232 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -14.641 -0.518 6.424 1.00 0.00 N ATOM 0 H ARG A 86 -11.587 -4.088 1.827 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.681 -1.554 0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.086 -2.105 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.587 -1.534 3.275 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.892 0.462 1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.569 -0.044 1.572 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.880 0.836 3.941 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.261 1.672 3.258 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.331 -0.769 3.969 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.406 1.670 5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.110 1.297 7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.226 -1.238 5.999 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.698 -0.341 7.427 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.405 -0.747 1.191 1.00 0.00 N ATOM 1278 CA TYR A 87 -7.985 -0.473 1.382 1.00 0.00 C ATOM 1279 C TYR A 87 -7.783 0.801 2.196 1.00 0.00 C ATOM 1280 O TYR A 87 -6.979 0.832 3.129 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.283 -0.346 0.030 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.538 -1.511 -0.898 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -8.699 -1.579 -1.658 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.618 -2.546 -1.015 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -8.937 -2.643 -2.507 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -6.848 -3.613 -1.863 1.00 0.00 C ATOM 1287 CZ TYR A 87 -8.008 -3.657 -2.606 1.00 0.00 C ATOM 1288 OH TYR A 87 -8.241 -4.718 -3.450 1.00 0.00 O ATOM 0 H TYR A 87 -9.945 0.048 0.849 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.549 -1.307 1.932 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.612 0.573 -0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.210 -0.252 0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.429 -0.786 -1.584 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.708 -2.516 -0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.846 -2.680 -3.090 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.122 -4.409 -1.943 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.978 -4.497 -4.057 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.515 1.849 1.837 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.415 3.126 2.534 1.00 0.00 C ATOM 1300 C PHE A 88 -9.799 3.685 2.845 1.00 0.00 C ATOM 1301 O PHE A 88 -10.815 3.052 2.557 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.624 4.131 1.693 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.204 4.356 0.326 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -7.831 3.553 -0.740 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -9.123 5.371 0.107 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -8.363 3.758 -1.999 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -9.657 5.580 -1.150 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.278 4.772 -2.204 1.00 0.00 C ATOM 0 H PHE A 88 -9.184 1.840 1.067 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.890 2.958 3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.583 5.083 2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.598 3.778 1.590 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.117 2.758 -0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.425 6.005 0.928 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.063 3.126 -2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.371 6.375 -1.308 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.696 4.933 -3.187 1.00 0.00 H new ATOM 1318 N GLU A 89 -9.833 4.876 3.435 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.093 5.521 3.786 1.00 0.00 C ATOM 1320 C GLU A 89 -11.254 6.841 3.039 1.00 0.00 C ATOM 1321 O GLU A 89 -10.513 7.795 3.279 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.165 5.761 5.294 1.00 0.00 C ATOM 1323 CG GLU A 89 -11.816 4.622 6.062 1.00 0.00 C ATOM 1324 CD GLU A 89 -11.769 4.827 7.563 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -12.454 5.748 8.058 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -11.046 4.070 8.244 1.00 0.00 O ATOM 0 H GLU A 89 -9.002 5.414 3.680 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.907 4.857 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.156 5.916 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.722 6.679 5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.854 4.522 5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.315 3.687 5.811 1.00 0.00 H new ATOM 1333 N CYS A 90 -12.226 6.890 2.135 1.00 0.00 N ATOM 1334 CA CYS A 90 -12.484 8.095 1.354 1.00 0.00 C ATOM 1335 C CYS A 90 -13.699 7.909 0.451 1.00 0.00 C ATOM 1336 O CYS A 90 -14.167 6.788 0.244 1.00 0.00 O ATOM 1337 CB CYS A 90 -11.259 8.453 0.512 1.00 0.00 C ATOM 1338 SG CYS A 90 -11.124 10.212 0.117 1.00 0.00 S ATOM 0 H CYS A 90 -12.848 6.110 1.925 1.00 0.00 H new ATOM 0 HA CYS A 90 -12.691 8.910 2.048 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.361 8.141 1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -11.291 7.884 -0.417 1.00 0.00 H new ATOM 0 HG CYS A 90 -11.135 10.369 -1.173 1.00 0.00 H new ATOM 1344 N GLN A 91 -14.207 9.014 -0.083 1.00 0.00 N ATOM 1345 CA GLN A 91 -15.368 8.974 -0.965 1.00 0.00 C ATOM 1346 C GLN A 91 -14.966 8.549 -2.373 1.00 0.00 C ATOM 1347 O GLN A 91 -13.801 8.252 -2.635 1.00 0.00 O ATOM 1348 CB GLN A 91 -16.051 10.342 -1.006 1.00 0.00 C ATOM 1349 CG GLN A 91 -17.568 10.263 -1.050 1.00 0.00 C ATOM 1350 CD GLN A 91 -18.219 10.793 0.214 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -18.808 10.038 0.987 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -18.114 12.099 0.430 1.00 0.00 N ATOM 0 H GLN A 91 -13.833 9.949 0.079 1.00 0.00 H new ATOM 0 HA GLN A 91 -16.069 8.239 -0.570 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -15.751 10.915 -0.129 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -15.698 10.889 -1.880 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -17.933 10.830 -1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -17.869 9.227 -1.202 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -17.616 12.688 -0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -18.531 12.513 1.264 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.941 8.521 -3.278 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.688 8.131 -4.660 1.00 0.00 C ATOM 1363 C ALA A 92 -15.188 9.314 -5.482 1.00 0.00 C ATOM 1364 O ALA A 92 -15.316 10.467 -5.069 1.00 0.00 O ATOM 1365 CB ALA A 92 -16.949 7.549 -5.282 1.00 0.00 C ATOM 0 H ALA A 92 -16.911 8.763 -3.079 1.00 0.00 H new ATOM 0 HA ALA A 92 -14.910 7.368 -4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.747 7.262 -6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.262 6.672 -4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.743 8.296 -5.262 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.621 9.020 -6.647 1.00 0.00 N ATOM 1372 CA LYS A 93 -14.102 10.061 -7.527 1.00 0.00 C ATOM 1373 C LYS A 93 -13.006 10.864 -6.836 1.00 0.00 C ATOM 1374 O LYS A 93 -12.876 12.069 -7.050 1.00 0.00 O ATOM 1375 CB LYS A 93 -15.231 10.994 -7.970 1.00 0.00 C ATOM 1376 CG LYS A 93 -16.303 10.301 -8.795 1.00 0.00 C ATOM 1377 CD LYS A 93 -17.603 11.090 -8.795 1.00 0.00 C ATOM 1378 CE LYS A 93 -18.497 10.690 -7.632 1.00 0.00 C ATOM 1379 NZ LYS A 93 -19.940 10.841 -7.964 1.00 0.00 N ATOM 0 H LYS A 93 -14.509 8.071 -7.004 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.673 9.577 -8.405 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.693 11.437 -7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.808 11.812 -8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.952 10.177 -9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.482 9.303 -8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.383 12.156 -8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -18.130 10.925 -9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -18.294 9.655 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -18.258 11.303 -6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -20.516 10.558 -7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -20.140 11.834 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -20.174 10.237 -8.777 1.00 0.00 H new ATOM 1393 N TYR A 94 -12.217 10.187 -6.006 1.00 0.00 N ATOM 1394 CA TYR A 94 -11.131 10.838 -5.283 1.00 0.00 C ATOM 1395 C TYR A 94 -9.883 9.961 -5.272 1.00 0.00 C ATOM 1396 O TYR A 94 -8.815 10.376 -5.722 1.00 0.00 O ATOM 1397 CB TYR A 94 -11.560 11.152 -3.849 1.00 0.00 C ATOM 1398 CG TYR A 94 -12.155 12.532 -3.683 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -11.354 13.666 -3.734 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -13.518 12.701 -3.476 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -11.894 14.929 -3.583 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -14.066 13.960 -3.326 1.00 0.00 C ATOM 1403 CZ TYR A 94 -13.251 15.071 -3.379 1.00 0.00 C ATOM 1404 OH TYR A 94 -13.792 16.326 -3.229 1.00 0.00 O ATOM 0 H TYR A 94 -12.310 9.189 -5.818 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.894 11.770 -5.796 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -12.290 10.410 -3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.696 11.056 -3.191 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.291 13.559 -3.894 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -14.160 11.834 -3.432 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -11.257 15.800 -3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -15.128 14.074 -3.168 1.00 0.00 H new ATOM 0 HH TYR A 94 -14.760 16.251 -3.095 1.00 0.00 H new ATOM 1414 N GLY A 95 -10.027 8.745 -4.756 1.00 0.00 N ATOM 1415 CA GLY A 95 -8.904 7.828 -4.697 1.00 0.00 C ATOM 1416 C GLY A 95 -8.725 7.048 -5.985 1.00 0.00 C ATOM 1417 O GLY A 95 -9.678 6.467 -6.504 1.00 0.00 O ATOM 0 H GLY A 95 -10.901 8.378 -4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.993 8.387 -4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.050 7.132 -3.871 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.500 7.036 -6.502 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.200 6.323 -7.738 1.00 0.00 C ATOM 1423 C ALA A 96 -6.206 5.193 -7.491 1.00 0.00 C ATOM 1424 O ALA A 96 -5.100 5.422 -7.004 1.00 0.00 O ATOM 1425 CB ALA A 96 -6.658 7.286 -8.782 1.00 0.00 C ATOM 0 H ALA A 96 -6.700 7.512 -6.084 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.125 5.883 -8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.438 6.741 -9.700 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.401 8.057 -8.987 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.746 7.752 -8.409 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.610 3.973 -7.831 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.754 2.807 -7.647 1.00 0.00 C ATOM 1433 C PHE A 97 -4.713 2.714 -8.758 1.00 0.00 C ATOM 1434 O PHE A 97 -5.029 2.342 -9.888 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.596 1.530 -7.610 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.261 1.287 -6.286 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.521 1.290 -5.113 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.625 1.056 -6.212 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -7.131 1.068 -3.893 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -9.240 0.833 -4.995 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.492 0.839 -3.834 1.00 0.00 C ATOM 0 H PHE A 97 -7.524 3.767 -8.235 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.233 2.917 -6.696 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.360 1.586 -8.386 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.960 0.678 -7.849 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.456 1.468 -5.153 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.215 1.050 -7.117 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.544 1.074 -2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -10.304 0.654 -4.952 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.970 0.665 -2.882 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.471 3.051 -8.429 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.383 3.004 -9.399 1.00 0.00 C ATOM 1453 C VAL A 98 -1.368 1.926 -9.034 1.00 0.00 C ATOM 1454 O VAL A 98 -1.517 1.237 -8.024 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.659 4.361 -9.500 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.525 5.377 -10.227 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.276 4.866 -8.117 1.00 0.00 C ATOM 0 H VAL A 98 -3.192 3.360 -7.498 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.831 2.767 -10.364 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.744 4.222 -10.076 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.996 6.328 -10.288 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.742 5.017 -11.233 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.459 5.515 -9.682 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.766 5.825 -8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.175 4.989 -7.513 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.612 4.146 -7.638 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.339 1.784 -9.861 1.00 0.00 N ATOM 1468 CA LYS A 99 0.699 0.788 -9.625 1.00 0.00 C ATOM 1469 C LYS A 99 2.009 1.451 -9.204 1.00 0.00 C ATOM 1470 O LYS A 99 2.285 2.589 -9.578 1.00 0.00 O ATOM 1471 CB LYS A 99 0.923 -0.054 -10.883 1.00 0.00 C ATOM 1472 CG LYS A 99 -0.361 -0.589 -11.495 1.00 0.00 C ATOM 1473 CD LYS A 99 -0.974 -1.682 -10.634 1.00 0.00 C ATOM 1474 CE LYS A 99 -0.291 -3.022 -10.859 1.00 0.00 C ATOM 1475 NZ LYS A 99 -1.174 -3.983 -11.576 1.00 0.00 N ATOM 0 H LYS A 99 -0.201 2.346 -10.701 1.00 0.00 H new ATOM 0 HA LYS A 99 0.365 0.140 -8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.445 0.549 -11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.575 -0.892 -10.637 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.075 0.225 -11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.155 -0.981 -12.491 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.895 -1.405 -9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.036 -1.772 -10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.623 -2.871 -11.433 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.002 -3.446 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.340 -4.816 -10.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.082 -3.525 -11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.717 -4.280 -12.462 1.00 0.00 H new ATOM 1489 N PRO A 100 2.834 0.739 -8.412 1.00 0.00 N ATOM 1490 CA PRO A 100 4.118 1.262 -7.944 1.00 0.00 C ATOM 1491 C PRO A 100 4.899 1.908 -9.078 1.00 0.00 C ATOM 1492 O PRO A 100 5.318 3.061 -8.984 1.00 0.00 O ATOM 1493 CB PRO A 100 4.837 0.017 -7.429 1.00 0.00 C ATOM 1494 CG PRO A 100 3.743 -0.895 -6.996 1.00 0.00 C ATOM 1495 CD PRO A 100 2.582 -0.629 -7.919 1.00 0.00 C ATOM 0 HA PRO A 100 4.007 2.039 -7.188 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.448 -0.439 -8.208 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.504 0.258 -6.601 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.058 -1.937 -7.057 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.467 -0.706 -5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.547 -1.349 -8.736 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.629 -0.696 -7.394 1.00 0.00 H new ATOM 1503 N SER A 101 5.064 1.158 -10.164 1.00 0.00 N ATOM 1504 CA SER A 101 5.765 1.662 -11.334 1.00 0.00 C ATOM 1505 C SER A 101 5.101 2.946 -11.817 1.00 0.00 C ATOM 1506 O SER A 101 5.730 3.779 -12.468 1.00 0.00 O ATOM 1507 CB SER A 101 5.766 0.616 -12.451 1.00 0.00 C ATOM 1508 OG SER A 101 4.458 0.132 -12.698 1.00 0.00 O ATOM 0 H SER A 101 4.722 0.202 -10.255 1.00 0.00 H new ATOM 0 HA SER A 101 6.799 1.874 -11.061 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.173 1.053 -13.363 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.418 -0.213 -12.176 1.00 0.00 H new ATOM 0 HG SER A 101 4.486 -0.534 -13.417 1.00 0.00 H new ATOM 1514 N ALA A 102 3.822 3.104 -11.472 1.00 0.00 N ATOM 1515 CA ALA A 102 3.074 4.293 -11.851 1.00 0.00 C ATOM 1516 C ALA A 102 3.165 5.356 -10.759 1.00 0.00 C ATOM 1517 O ALA A 102 2.816 6.515 -10.980 1.00 0.00 O ATOM 1518 CB ALA A 102 1.621 3.939 -12.127 1.00 0.00 C ATOM 0 H ALA A 102 3.288 2.423 -10.932 1.00 0.00 H new ATOM 0 HA ALA A 102 3.512 4.699 -12.763 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.075 4.839 -12.409 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.571 3.214 -12.940 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.174 3.510 -11.230 1.00 0.00 H new ATOM 1524 N VAL A 103 3.636 4.955 -9.578 1.00 0.00 N ATOM 1525 CA VAL A 103 3.770 5.877 -8.457 1.00 0.00 C ATOM 1526 C VAL A 103 5.184 6.444 -8.380 1.00 0.00 C ATOM 1527 O VAL A 103 6.149 5.786 -8.769 1.00 0.00 O ATOM 1528 CB VAL A 103 3.429 5.193 -7.119 1.00 0.00 C ATOM 1529 CG1 VAL A 103 3.426 6.206 -5.984 1.00 0.00 C ATOM 1530 CG2 VAL A 103 2.088 4.480 -7.209 1.00 0.00 C ATOM 0 H VAL A 103 3.930 3.999 -9.376 1.00 0.00 H new ATOM 0 HA VAL A 103 3.063 6.689 -8.629 1.00 0.00 H new ATOM 0 HB VAL A 103 4.197 4.449 -6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.183 5.703 -5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.411 6.666 -5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.682 6.976 -6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.865 4.003 -6.255 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.307 5.203 -7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.130 3.723 -7.992 1.00 0.00 H new ATOM 1540 N THR A 104 5.300 7.669 -7.875 1.00 0.00 N ATOM 1541 CA THR A 104 6.597 8.323 -7.748 1.00 0.00 C ATOM 1542 C THR A 104 6.730 9.008 -6.391 1.00 0.00 C ATOM 1543 O THR A 104 6.040 9.988 -6.109 1.00 0.00 O ATOM 1544 CB THR A 104 6.787 9.346 -8.869 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.434 8.789 -10.122 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.208 9.857 -8.977 1.00 0.00 C ATOM 0 H THR A 104 4.512 8.228 -7.548 1.00 0.00 H new ATOM 0 HA THR A 104 7.371 7.559 -7.827 1.00 0.00 H new ATOM 0 HB THR A 104 6.136 10.181 -8.612 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.561 9.459 -10.825 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.274 10.579 -9.791 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.494 10.338 -8.042 1.00 0.00 H new ATOM 0 HG23 THR A 104 8.881 9.023 -9.176 1.00 0.00 H new ATOM 1554 N VAL A 105 7.622 8.485 -5.556 1.00 0.00 N ATOM 1555 CA VAL A 105 7.848 9.046 -4.229 1.00 0.00 C ATOM 1556 C VAL A 105 8.801 10.235 -4.289 1.00 0.00 C ATOM 1557 O VAL A 105 9.845 10.173 -4.938 1.00 0.00 O ATOM 1558 CB VAL A 105 8.421 7.992 -3.264 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.462 8.534 -1.843 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.607 6.709 -3.329 1.00 0.00 C ATOM 0 H VAL A 105 8.200 7.674 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 105 6.879 9.379 -3.858 1.00 0.00 H new ATOM 0 HB VAL A 105 9.442 7.763 -3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.870 7.775 -1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 105 9.093 9.422 -1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.453 8.794 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 105 8.027 5.976 -2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.574 6.919 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.635 6.311 -4.343 1.00 0.00 H new ATOM 1570 N GLY A 106 8.435 11.316 -3.609 1.00 0.00 N ATOM 1571 CA GLY A 106 9.269 12.503 -3.598 1.00 0.00 C ATOM 1572 C GLY A 106 9.978 12.700 -2.272 1.00 0.00 C ATOM 1573 O GLY A 106 11.194 12.890 -2.233 1.00 0.00 O ATOM 0 H GLY A 106 7.575 11.391 -3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.009 12.431 -4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.654 13.377 -3.812 1.00 0.00 H new