USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=10 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= -3.36! C(o=-3.4!,f=-5.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 41:sc= -0.284 USER MOD Single : A 26 SER OG : rot -21:sc= 0.329! USER MOD Single : A 31 HIS : no HD1:sc= -5.35! K(o=-5.4!,f=-2.9) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -4.23! K(o=-4.2!,f=-0.074) USER MOD Single : A 38 MET CE :methyl 137:sc= -1.27 (180deg=-4.19!) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 26:sc= 0.779 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00169 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= -0.131 K(o=-0.13,f=1.3) USER MOD Single : A 64 ASN : amide:sc= -4.22! C(o=-4.2!,f=-9.3!) 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= -1 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 30:sc= -2.52! USER MOD Single : A 88 GLN : amide:sc= -4.67! K(o=-4.7!,f=-1.1) USER MOD Single : A 90 ASN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 3 6.395 -1.482 -3.741 1.00 14.14 N ATOM 38 CA ALA A 3 7.122 -1.350 -4.997 1.00 13.41 C ATOM 39 C ALA A 3 6.181 -0.981 -6.139 1.00 44.43 C ATOM 40 O ALA A 3 5.054 -1.467 -6.229 1.00 11.11 O ATOM 41 CB ALA A 3 7.863 -2.640 -5.316 1.00 54.43 C ATOM 0 HA ALA A 3 7.849 -0.545 -4.885 1.00 13.41 H new ATOM 0 HB1 ALA A 3 8.402 -2.527 -6.257 1.00 54.43 H new ATOM 0 HB2 ALA A 3 8.571 -2.860 -4.517 1.00 54.43 H new ATOM 0 HB3 ALA A 3 7.148 -3.458 -5.403 1.00 54.43 H new ATOM 47 N PRO A 4 6.653 -0.100 -7.034 1.00 41.21 N ATOM 48 CA PRO A 4 5.870 0.354 -8.187 1.00 73.10 C ATOM 49 C PRO A 4 5.676 -0.746 -9.225 1.00 41.24 C ATOM 50 O PRO A 4 6.327 -1.790 -9.187 1.00 60.24 O ATOM 51 CB PRO A 4 6.715 1.492 -8.765 1.00 21.14 C ATOM 52 CG PRO A 4 8.108 1.186 -8.333 1.00 13.25 C ATOM 53 CD PRO A 4 7.988 0.521 -6.990 1.00 31.45 C ATOM 0 HA PRO A 4 4.862 0.656 -7.901 1.00 73.10 H new ATOM 0 HB2 PRO A 4 6.637 1.531 -9.852 1.00 21.14 H new ATOM 0 HB3 PRO A 4 6.387 2.460 -8.387 1.00 21.14 H new ATOM 0 HG2 PRO A 4 8.604 0.531 -9.050 1.00 13.25 H new ATOM 0 HG3 PRO A 4 8.705 2.096 -8.266 1.00 13.25 H new ATOM 0 HD2 PRO A 4 8.772 -0.221 -6.838 1.00 31.45 H new ATOM 0 HD3 PRO A 4 8.069 1.242 -6.176 1.00 31.45 H new ATOM 61 N PRO A 5 4.761 -0.508 -10.176 1.00 74.45 N ATOM 62 CA PRO A 5 4.461 -1.467 -11.244 1.00 62.21 C ATOM 63 C PRO A 5 5.606 -1.600 -12.242 1.00 45.00 C ATOM 64 O PRO A 5 6.171 -0.602 -12.689 1.00 62.33 O ATOM 65 CB PRO A 5 3.227 -0.868 -11.923 1.00 61.11 C ATOM 66 CG PRO A 5 3.310 0.592 -11.639 1.00 50.04 C ATOM 67 CD PRO A 5 3.948 0.715 -10.283 1.00 73.22 C ATOM 0 HA PRO A 5 4.304 -2.473 -10.856 1.00 62.21 H new ATOM 0 HB2 PRO A 5 3.231 -1.064 -12.995 1.00 61.11 H new ATOM 0 HB3 PRO A 5 2.308 -1.297 -11.524 1.00 61.11 H new ATOM 0 HG2 PRO A 5 3.903 1.104 -12.397 1.00 50.04 H new ATOM 0 HG3 PRO A 5 2.320 1.048 -11.647 1.00 50.04 H new ATOM 0 HD2 PRO A 5 4.561 1.613 -10.207 1.00 73.22 H new ATOM 0 HD3 PRO A 5 3.201 0.772 -9.491 1.00 73.22 H new ATOM 75 N ALA A 6 5.944 -2.838 -12.587 1.00 71.22 N ATOM 76 CA ALA A 6 7.020 -3.101 -13.534 1.00 43.24 C ATOM 77 C ALA A 6 6.535 -2.951 -14.972 1.00 40.32 C ATOM 78 O ALA A 6 5.454 -3.422 -15.327 1.00 20.44 O ATOM 79 CB ALA A 6 7.592 -4.493 -13.311 1.00 2.12 C ATOM 0 H ALA A 6 5.488 -3.675 -12.224 1.00 71.22 H new ATOM 0 HA ALA A 6 7.807 -2.366 -13.365 1.00 43.24 H new ATOM 0 HB1 ALA A 6 8.395 -4.675 -14.026 1.00 2.12 H new ATOM 0 HB2 ALA A 6 7.985 -4.567 -12.297 1.00 2.12 H new ATOM 0 HB3 ALA A 6 6.807 -5.236 -13.450 1.00 2.12 H new ATOM 85 N THR A 7 7.341 -2.290 -15.798 1.00 74.01 N ATOM 86 CA THR A 7 6.992 -2.076 -17.197 1.00 25.10 C ATOM 87 C THR A 7 7.621 -3.141 -18.089 1.00 14.21 C ATOM 88 O THR A 7 8.623 -2.891 -18.760 1.00 53.22 O ATOM 89 CB THR A 7 7.443 -0.685 -17.682 1.00 22.22 C ATOM 90 OG1 THR A 7 7.031 0.317 -16.746 1.00 0.11 O ATOM 91 CG2 THR A 7 6.862 -0.376 -19.053 1.00 40.41 C ATOM 0 H THR A 7 8.240 -1.894 -15.522 1.00 74.01 H new ATOM 0 HA THR A 7 5.906 -2.142 -17.266 1.00 25.10 H new ATOM 0 HB THR A 7 8.530 -0.685 -17.758 1.00 22.22 H new ATOM 0 HG1 THR A 7 7.323 1.198 -17.060 1.00 0.11 H new ATOM 0 HG21 THR A 7 7.194 0.611 -19.375 1.00 40.41 H new ATOM 0 HG22 THR A 7 7.201 -1.124 -19.769 1.00 40.41 H new ATOM 0 HG23 THR A 7 5.773 -0.393 -18.999 1.00 40.41 H new ATOM 99 N LEU A 8 7.026 -4.329 -18.093 1.00 1.35 N ATOM 100 CA LEU A 8 7.527 -5.433 -18.904 1.00 4.33 C ATOM 101 C LEU A 8 7.093 -5.281 -20.358 1.00 43.20 C ATOM 102 O LEU A 8 5.915 -5.427 -20.682 1.00 43.00 O ATOM 103 CB LEU A 8 7.029 -6.768 -18.348 1.00 11.35 C ATOM 104 CG LEU A 8 6.952 -6.873 -16.824 1.00 62.30 C ATOM 105 CD1 LEU A 8 5.539 -6.588 -16.340 1.00 2.14 C ATOM 106 CD2 LEU A 8 7.409 -8.249 -16.361 1.00 71.22 C ATOM 0 H LEU A 8 6.196 -4.552 -17.544 1.00 1.35 H new ATOM 0 HA LEU A 8 8.616 -5.414 -18.865 1.00 4.33 H new ATOM 0 HB2 LEU A 8 6.037 -6.962 -18.756 1.00 11.35 H new ATOM 0 HB3 LEU A 8 7.684 -7.558 -18.714 1.00 11.35 H new ATOM 0 HG LEU A 8 7.619 -6.126 -16.393 1.00 62.30 H new ATOM 0 HD11 LEU A 8 5.504 -6.667 -15.253 1.00 2.14 H new ATOM 0 HD12 LEU A 8 5.248 -5.581 -16.640 1.00 2.14 H new ATOM 0 HD13 LEU A 8 4.851 -7.311 -16.779 1.00 2.14 H new ATOM 0 HD21 LEU A 8 7.348 -8.306 -15.274 1.00 71.22 H new ATOM 0 HD22 LEU A 8 6.768 -9.013 -16.801 1.00 71.22 H new ATOM 0 HD23 LEU A 8 8.439 -8.415 -16.676 1.00 71.22 H new ATOM 118 N GLU A 9 8.054 -4.989 -21.230 1.00 13.24 N ATOM 119 CA GLU A 9 7.770 -4.819 -22.650 1.00 14.12 C ATOM 120 C GLU A 9 7.646 -6.171 -23.346 1.00 20.45 C ATOM 121 O GLU A 9 7.519 -7.207 -22.694 1.00 33.34 O ATOM 122 CB GLU A 9 8.868 -3.988 -23.317 1.00 23.54 C ATOM 123 CG GLU A 9 9.145 -2.670 -22.615 1.00 2.34 C ATOM 124 CD GLU A 9 8.241 -1.551 -23.096 1.00 64.42 C ATOM 125 OE1 GLU A 9 8.152 -1.350 -24.325 1.00 54.25 O ATOM 126 OE2 GLU A 9 7.624 -0.878 -22.245 1.00 25.03 O ATOM 0 H GLU A 9 9.035 -4.865 -20.978 1.00 13.24 H new ATOM 0 HA GLU A 9 6.820 -4.293 -22.743 1.00 14.12 H new ATOM 0 HB2 GLU A 9 9.787 -4.574 -23.348 1.00 23.54 H new ATOM 0 HB3 GLU A 9 8.583 -3.787 -24.350 1.00 23.54 H new ATOM 0 HG2 GLU A 9 9.015 -2.801 -21.541 1.00 2.34 H new ATOM 0 HG3 GLU A 9 10.185 -2.387 -22.778 1.00 2.34 H new ATOM 133 N ALA A 10 7.684 -6.152 -24.674 1.00 21.51 N ATOM 134 CA ALA A 10 7.578 -7.376 -25.459 1.00 30.24 C ATOM 135 C ALA A 10 8.618 -7.405 -26.574 1.00 32.34 C ATOM 136 O ALA A 10 8.312 -7.105 -27.728 1.00 60.30 O ATOM 137 CB ALA A 10 6.177 -7.513 -26.037 1.00 3.41 C ATOM 0 H ALA A 10 7.787 -5.303 -25.229 1.00 21.51 H new ATOM 0 HA ALA A 10 7.770 -8.220 -24.797 1.00 30.24 H new ATOM 0 HB1 ALA A 10 6.112 -8.431 -26.621 1.00 3.41 H new ATOM 0 HB2 ALA A 10 5.450 -7.547 -25.225 1.00 3.41 H new ATOM 0 HB3 ALA A 10 5.963 -6.659 -26.680 1.00 3.41 H new ATOM 143 N ILE A 11 9.847 -7.767 -26.221 1.00 34.31 N ATOM 144 CA ILE A 11 10.931 -7.835 -27.193 1.00 31.53 C ATOM 145 C ILE A 11 10.740 -9.008 -28.148 1.00 74.15 C ATOM 146 O ILE A 11 9.846 -9.835 -27.963 1.00 0.01 O ATOM 147 CB ILE A 11 12.300 -7.970 -26.500 1.00 71.31 C ATOM 148 CG1 ILE A 11 12.413 -6.971 -25.347 1.00 30.54 C ATOM 149 CG2 ILE A 11 13.424 -7.759 -27.503 1.00 40.12 C ATOM 150 CD1 ILE A 11 12.833 -5.586 -25.786 1.00 24.32 C ATOM 0 H ILE A 11 10.117 -8.018 -25.270 1.00 34.31 H new ATOM 0 HA ILE A 11 10.908 -6.903 -27.757 1.00 31.53 H new ATOM 0 HB ILE A 11 12.387 -8.977 -26.093 1.00 71.31 H new ATOM 0 HG12 ILE A 11 11.451 -6.906 -24.838 1.00 30.54 H new ATOM 0 HG13 ILE A 11 13.133 -7.347 -24.621 1.00 30.54 H new ATOM 0 HG21 ILE A 11 14.385 -7.857 -26.998 1.00 40.12 H new ATOM 0 HG22 ILE A 11 13.351 -8.506 -28.294 1.00 40.12 H new ATOM 0 HG23 ILE A 11 13.342 -6.762 -27.937 1.00 40.12 H new ATOM 0 HD11 ILE A 11 12.892 -4.931 -24.917 1.00 24.32 H new ATOM 0 HD12 ILE A 11 13.809 -5.638 -26.269 1.00 24.32 H new ATOM 0 HD13 ILE A 11 12.101 -5.190 -26.489 1.00 24.32 H new ATOM 162 N HIS A 12 11.586 -9.075 -29.171 1.00 60.12 N ATOM 163 CA HIS A 12 11.512 -10.149 -30.156 1.00 10.31 C ATOM 164 C HIS A 12 11.548 -11.514 -29.475 1.00 40.41 C ATOM 165 O HIS A 12 11.767 -11.627 -28.269 1.00 21.20 O ATOM 166 CB HIS A 12 12.664 -10.033 -31.155 1.00 33.42 C ATOM 167 CG HIS A 12 12.227 -9.628 -32.529 1.00 13.53 C ATOM 168 ND1 HIS A 12 10.953 -9.847 -33.009 1.00 13.34 N ATOM 169 CD2 HIS A 12 12.902 -9.011 -33.527 1.00 22.24 C ATOM 170 CE1 HIS A 12 10.864 -9.384 -34.243 1.00 31.21 C ATOM 171 NE2 HIS A 12 12.033 -8.872 -34.581 1.00 4.31 N ATOM 0 H HIS A 12 12.331 -8.399 -29.340 1.00 60.12 H new ATOM 0 HA HIS A 12 10.567 -10.055 -30.691 1.00 10.31 H new ATOM 0 HB2 HIS A 12 13.385 -9.305 -30.783 1.00 33.42 H new ATOM 0 HB3 HIS A 12 13.180 -10.991 -31.215 1.00 33.42 H new ATOM 0 HD2 HIS A 12 13.932 -8.688 -33.499 1.00 22.24 H new ATOM 0 HE1 HIS A 12 9.985 -9.418 -34.869 1.00 31.21 H new ATOM 0 HE2 HIS A 12 12.255 -8.443 -35.479 1.00 4.31 H new ATOM 179 N PRO A 13 11.327 -12.575 -30.265 1.00 22.34 N ATOM 180 CA PRO A 13 11.329 -13.951 -29.759 1.00 61.44 C ATOM 181 C PRO A 13 12.723 -14.419 -29.355 1.00 42.42 C ATOM 182 O PRO A 13 12.984 -15.618 -29.261 1.00 24.14 O ATOM 183 CB PRO A 13 10.816 -14.767 -30.949 1.00 51.41 C ATOM 184 CG PRO A 13 11.163 -13.950 -32.146 1.00 13.12 C ATOM 185 CD PRO A 13 11.059 -12.514 -31.711 1.00 63.03 C ATOM 0 HA PRO A 13 10.723 -14.055 -28.859 1.00 61.44 H new ATOM 0 HB2 PRO A 13 11.288 -15.749 -30.989 1.00 51.41 H new ATOM 0 HB3 PRO A 13 9.741 -14.933 -30.881 1.00 51.41 H new ATOM 0 HG2 PRO A 13 12.169 -14.180 -32.497 1.00 13.12 H new ATOM 0 HG3 PRO A 13 10.482 -14.158 -32.971 1.00 13.12 H new ATOM 0 HD2 PRO A 13 11.783 -11.884 -32.228 1.00 63.03 H new ATOM 0 HD3 PRO A 13 10.072 -12.101 -31.920 1.00 63.03 H new ATOM 193 N LYS A 14 13.616 -13.464 -29.117 1.00 42.01 N ATOM 194 CA LYS A 14 14.984 -13.777 -28.721 1.00 41.30 C ATOM 195 C LYS A 14 15.361 -13.041 -27.439 1.00 41.01 C ATOM 196 O LYS A 14 16.538 -12.805 -27.170 1.00 62.35 O ATOM 197 CB LYS A 14 15.959 -13.405 -29.841 1.00 12.24 C ATOM 198 CG LYS A 14 16.075 -11.908 -30.074 1.00 33.41 C ATOM 199 CD LYS A 14 17.281 -11.570 -30.934 1.00 0.14 C ATOM 200 CE LYS A 14 16.863 -11.031 -32.293 1.00 70.02 C ATOM 201 NZ LYS A 14 17.966 -10.282 -32.956 1.00 64.53 N ATOM 0 H LYS A 14 13.417 -12.466 -29.192 1.00 42.01 H new ATOM 0 HA LYS A 14 15.046 -14.849 -28.535 1.00 41.30 H new ATOM 0 HB2 LYS A 14 16.944 -13.804 -29.601 1.00 12.24 H new ATOM 0 HB3 LYS A 14 15.637 -13.884 -30.766 1.00 12.24 H new ATOM 0 HG2 LYS A 14 15.169 -11.543 -30.557 1.00 33.41 H new ATOM 0 HG3 LYS A 14 16.155 -11.395 -29.116 1.00 33.41 H new ATOM 0 HD2 LYS A 14 17.898 -10.831 -30.423 1.00 0.14 H new ATOM 0 HD3 LYS A 14 17.895 -12.461 -31.068 1.00 0.14 H new ATOM 0 HE2 LYS A 14 16.551 -11.858 -32.931 1.00 70.02 H new ATOM 0 HE3 LYS A 14 16.000 -10.376 -32.174 1.00 70.02 H new ATOM 0 HZ1 LYS A 14 17.641 -9.931 -33.879 1.00 64.53 H new ATOM 0 HZ2 LYS A 14 18.247 -9.478 -32.359 1.00 64.53 H new ATOM 0 HZ3 LYS A 14 18.781 -10.913 -33.093 1.00 64.53 H new ATOM 215 N GLY A 15 14.353 -12.682 -26.650 1.00 1.51 N ATOM 216 CA GLY A 15 14.600 -11.978 -25.405 1.00 42.41 C ATOM 217 C GLY A 15 13.422 -11.126 -24.977 1.00 13.20 C ATOM 218 O GLY A 15 12.386 -11.105 -25.644 1.00 21.24 O ATOM 0 H GLY A 15 13.370 -12.866 -26.851 1.00 1.51 H new ATOM 0 HA2 GLY A 15 14.825 -12.701 -24.621 1.00 42.41 H new ATOM 0 HA3 GLY A 15 15.480 -11.345 -25.518 1.00 42.41 H new ATOM 222 N LEU A 16 13.577 -10.422 -23.861 1.00 61.01 N ATOM 223 CA LEU A 16 12.516 -9.565 -23.343 1.00 62.01 C ATOM 224 C LEU A 16 13.098 -8.385 -22.571 1.00 54.35 C ATOM 225 O LEU A 16 14.270 -8.392 -22.197 1.00 64.31 O ATOM 226 CB LEU A 16 11.580 -10.369 -22.439 1.00 2.22 C ATOM 227 CG LEU A 16 10.334 -9.635 -21.942 1.00 31.44 C ATOM 228 CD1 LEU A 16 9.548 -9.064 -23.112 1.00 23.13 C ATOM 229 CD2 LEU A 16 9.461 -10.568 -21.115 1.00 34.00 C ATOM 0 H LEU A 16 14.427 -10.428 -23.297 1.00 61.01 H new ATOM 0 HA LEU A 16 11.949 -9.178 -24.190 1.00 62.01 H new ATOM 0 HB2 LEU A 16 11.261 -11.260 -22.980 1.00 2.22 H new ATOM 0 HB3 LEU A 16 12.147 -10.709 -21.572 1.00 2.22 H new ATOM 0 HG LEU A 16 10.652 -8.808 -21.307 1.00 31.44 H new ATOM 0 HD11 LEU A 16 8.665 -8.545 -22.739 1.00 23.13 H new ATOM 0 HD12 LEU A 16 10.174 -8.363 -23.664 1.00 23.13 H new ATOM 0 HD13 LEU A 16 9.240 -9.874 -23.774 1.00 23.13 H new ATOM 0 HD21 LEU A 16 8.579 -10.029 -20.769 1.00 34.00 H new ATOM 0 HD22 LEU A 16 9.152 -11.415 -21.727 1.00 34.00 H new ATOM 0 HD23 LEU A 16 10.026 -10.928 -20.255 1.00 34.00 H new ATOM 241 N ARG A 17 12.269 -7.373 -22.335 1.00 40.24 N ATOM 242 CA ARG A 17 12.701 -6.186 -21.607 1.00 53.23 C ATOM 243 C ARG A 17 11.754 -5.884 -20.449 1.00 71.13 C ATOM 244 O ARG A 17 10.534 -5.973 -20.591 1.00 43.13 O ATOM 245 CB ARG A 17 12.772 -4.982 -22.549 1.00 1.04 C ATOM 246 CG ARG A 17 13.173 -3.690 -21.856 1.00 11.14 C ATOM 247 CD ARG A 17 13.729 -2.677 -22.844 1.00 52.20 C ATOM 248 NE ARG A 17 13.810 -1.337 -22.268 1.00 33.43 N ATOM 249 CZ ARG A 17 14.453 -0.328 -22.843 1.00 4.43 C ATOM 250 NH1 ARG A 17 15.069 -0.504 -24.004 1.00 35.41 N ATOM 251 NH2 ARG A 17 14.482 0.862 -22.256 1.00 42.33 N ATOM 0 H ARG A 17 11.295 -7.352 -22.637 1.00 40.24 H new ATOM 0 HA ARG A 17 13.694 -6.380 -21.201 1.00 53.23 H new ATOM 0 HB2 ARG A 17 13.487 -5.195 -23.344 1.00 1.04 H new ATOM 0 HB3 ARG A 17 11.800 -4.844 -23.023 1.00 1.04 H new ATOM 0 HG2 ARG A 17 12.308 -3.266 -21.346 1.00 11.14 H new ATOM 0 HG3 ARG A 17 13.921 -3.903 -21.092 1.00 11.14 H new ATOM 0 HD2 ARG A 17 14.721 -2.993 -23.167 1.00 52.20 H new ATOM 0 HD3 ARG A 17 13.097 -2.652 -23.732 1.00 52.20 H new ATOM 0 HE ARG A 17 13.347 -1.167 -21.375 1.00 33.43 H new ATOM 0 HH11 ARG A 17 15.050 -1.417 -24.458 1.00 35.41 H new ATOM 0 HH12 ARG A 17 15.562 0.274 -24.443 1.00 35.41 H new ATOM 0 HH21 ARG A 17 14.010 1.002 -21.363 1.00 42.33 H new ATOM 0 HH22 ARG A 17 14.976 1.637 -22.698 1.00 42.33 H new ATOM 265 N VAL A 18 12.324 -5.527 -19.303 1.00 23.42 N ATOM 266 CA VAL A 18 11.532 -5.212 -18.120 1.00 71.03 C ATOM 267 C VAL A 18 12.188 -4.109 -17.298 1.00 14.35 C ATOM 268 O VAL A 18 13.213 -4.327 -16.652 1.00 72.42 O ATOM 269 CB VAL A 18 11.334 -6.453 -17.230 1.00 23.04 C ATOM 270 CG1 VAL A 18 10.670 -6.068 -15.917 1.00 12.03 C ATOM 271 CG2 VAL A 18 10.518 -7.508 -17.960 1.00 61.35 C ATOM 0 H VAL A 18 13.332 -5.449 -19.168 1.00 23.42 H new ATOM 0 HA VAL A 18 10.559 -4.869 -18.472 1.00 71.03 H new ATOM 0 HB VAL A 18 12.313 -6.876 -17.004 1.00 23.04 H new ATOM 0 HG11 VAL A 18 10.538 -6.958 -15.301 1.00 12.03 H new ATOM 0 HG12 VAL A 18 11.298 -5.351 -15.388 1.00 12.03 H new ATOM 0 HG13 VAL A 18 9.697 -5.619 -16.119 1.00 12.03 H new ATOM 0 HG21 VAL A 18 10.388 -8.378 -17.316 1.00 61.35 H new ATOM 0 HG22 VAL A 18 9.541 -7.098 -18.218 1.00 61.35 H new ATOM 0 HG23 VAL A 18 11.039 -7.805 -18.870 1.00 61.35 H new ATOM 281 N SER A 19 11.589 -2.922 -17.325 1.00 32.43 N ATOM 282 CA SER A 19 12.116 -1.783 -16.584 1.00 4.43 C ATOM 283 C SER A 19 11.076 -1.239 -15.609 1.00 73.34 C ATOM 284 O SER A 19 9.874 -1.431 -15.795 1.00 60.55 O ATOM 285 CB SER A 19 12.554 -0.679 -17.548 1.00 50.33 C ATOM 286 OG SER A 19 12.955 0.484 -16.844 1.00 54.25 O ATOM 0 H SER A 19 10.738 -2.725 -17.852 1.00 32.43 H new ATOM 0 HA SER A 19 12.981 -2.122 -16.013 1.00 4.43 H new ATOM 0 HB2 SER A 19 13.378 -1.037 -18.165 1.00 50.33 H new ATOM 0 HB3 SER A 19 11.734 -0.435 -18.223 1.00 50.33 H new ATOM 0 HG SER A 19 13.474 0.225 -16.054 1.00 54.25 H new ATOM 292 N VAL A 20 11.547 -0.559 -14.569 1.00 34.22 N ATOM 293 CA VAL A 20 10.658 0.014 -13.565 1.00 23.34 C ATOM 294 C VAL A 20 11.155 1.380 -13.107 1.00 2.32 C ATOM 295 O VAL A 20 12.353 1.667 -13.113 1.00 15.12 O ATOM 296 CB VAL A 20 10.527 -0.910 -12.339 1.00 1.31 C ATOM 297 CG1 VAL A 20 10.160 -2.321 -12.770 1.00 72.35 C ATOM 298 CG2 VAL A 20 11.816 -0.909 -11.531 1.00 43.23 C ATOM 0 H VAL A 20 12.539 -0.391 -14.399 1.00 34.22 H new ATOM 0 HA VAL A 20 9.680 0.125 -14.034 1.00 23.34 H new ATOM 0 HB VAL A 20 9.727 -0.530 -11.704 1.00 1.31 H new ATOM 0 HG11 VAL A 20 10.072 -2.959 -11.890 1.00 72.35 H new ATOM 0 HG12 VAL A 20 9.209 -2.303 -13.302 1.00 72.35 H new ATOM 0 HG13 VAL A 20 10.936 -2.714 -13.427 1.00 72.35 H new ATOM 0 HG21 VAL A 20 11.706 -1.567 -10.669 1.00 43.23 H new ATOM 0 HG22 VAL A 20 12.637 -1.263 -12.155 1.00 43.23 H new ATOM 0 HG23 VAL A 20 12.031 0.104 -11.190 1.00 43.23 H new ATOM 308 N PRO A 21 10.215 2.246 -12.699 1.00 70.31 N ATOM 309 CA PRO A 21 10.533 3.597 -12.229 1.00 4.11 C ATOM 310 C PRO A 21 11.249 3.589 -10.882 1.00 71.14 C ATOM 311 O PRO A 21 10.732 3.061 -9.897 1.00 50.43 O ATOM 312 CB PRO A 21 9.160 4.261 -12.101 1.00 20.13 C ATOM 313 CG PRO A 21 8.212 3.132 -11.888 1.00 30.44 C ATOM 314 CD PRO A 21 8.769 1.971 -12.665 1.00 54.22 C ATOM 0 HA PRO A 21 11.210 4.115 -12.908 1.00 4.11 H new ATOM 0 HB2 PRO A 21 9.135 4.962 -11.266 1.00 20.13 H new ATOM 0 HB3 PRO A 21 8.908 4.826 -12.999 1.00 20.13 H new ATOM 0 HG2 PRO A 21 8.127 2.888 -10.829 1.00 30.44 H new ATOM 0 HG3 PRO A 21 7.212 3.391 -12.236 1.00 30.44 H new ATOM 0 HD2 PRO A 21 8.552 1.020 -12.178 1.00 54.22 H new ATOM 0 HD3 PRO A 21 8.346 1.919 -13.668 1.00 54.22 H new ATOM 322 N ASP A 22 12.440 4.177 -10.847 1.00 33.41 N ATOM 323 CA ASP A 22 13.226 4.238 -9.620 1.00 53.21 C ATOM 324 C ASP A 22 12.790 5.416 -8.754 1.00 73.10 C ATOM 325 O ASP A 22 12.707 6.549 -9.227 1.00 71.22 O ATOM 326 CB ASP A 22 14.715 4.354 -9.949 1.00 11.45 C ATOM 327 CG ASP A 22 15.557 4.650 -8.723 1.00 12.11 C ATOM 328 OD1 ASP A 22 15.539 3.832 -7.779 1.00 43.12 O ATOM 329 OD2 ASP A 22 16.234 5.699 -8.708 1.00 12.13 O ATOM 0 H ASP A 22 12.882 4.618 -11.654 1.00 33.41 H new ATOM 0 HA ASP A 22 13.056 3.317 -9.062 1.00 53.21 H new ATOM 0 HB2 ASP A 22 15.057 3.425 -10.405 1.00 11.45 H new ATOM 0 HB3 ASP A 22 14.861 5.144 -10.686 1.00 11.45 H new ATOM 334 N GLU A 23 12.511 5.139 -7.484 1.00 24.01 N ATOM 335 CA GLU A 23 12.082 6.176 -6.553 1.00 51.01 C ATOM 336 C GLU A 23 13.078 6.325 -5.407 1.00 22.43 C ATOM 337 O GLU A 23 12.874 7.121 -4.492 1.00 0.32 O ATOM 338 CB GLU A 23 10.694 5.851 -5.998 1.00 14.01 C ATOM 339 CG GLU A 23 9.594 6.745 -6.546 1.00 42.12 C ATOM 340 CD GLU A 23 8.210 6.159 -6.344 1.00 24.00 C ATOM 341 OE1 GLU A 23 8.059 4.928 -6.491 1.00 43.35 O ATOM 342 OE2 GLU A 23 7.278 6.932 -6.038 1.00 24.03 O ATOM 0 H GLU A 23 12.574 4.206 -7.077 1.00 24.01 H new ATOM 0 HA GLU A 23 12.037 7.120 -7.096 1.00 51.01 H new ATOM 0 HB2 GLU A 23 10.454 4.813 -6.227 1.00 14.01 H new ATOM 0 HB3 GLU A 23 10.716 5.941 -4.912 1.00 14.01 H new ATOM 0 HG2 GLU A 23 9.646 7.719 -6.059 1.00 42.12 H new ATOM 0 HG3 GLU A 23 9.762 6.911 -7.610 1.00 42.12 H new ATOM 349 N GLY A 24 14.157 5.550 -5.464 1.00 45.10 N ATOM 350 CA GLY A 24 15.169 5.610 -4.425 1.00 62.53 C ATOM 351 C GLY A 24 15.641 4.234 -3.996 1.00 12.40 C ATOM 352 O GLY A 24 16.011 4.030 -2.840 1.00 10.13 O ATOM 0 H GLY A 24 14.348 4.882 -6.211 1.00 45.10 H new ATOM 0 HA2 GLY A 24 16.021 6.187 -4.784 1.00 62.53 H new ATOM 0 HA3 GLY A 24 14.767 6.139 -3.561 1.00 62.53 H new ATOM 356 N PHE A 25 15.626 3.288 -4.929 1.00 24.24 N ATOM 357 CA PHE A 25 16.053 1.924 -4.640 1.00 25.31 C ATOM 358 C PHE A 25 17.573 1.802 -4.714 1.00 53.21 C ATOM 359 O PHE A 25 18.245 2.643 -5.311 1.00 0.24 O ATOM 360 CB PHE A 25 15.404 0.945 -5.620 1.00 52.03 C ATOM 361 CG PHE A 25 13.908 1.068 -5.688 1.00 44.52 C ATOM 362 CD1 PHE A 25 13.105 0.450 -4.744 1.00 23.23 C ATOM 363 CD2 PHE A 25 13.306 1.803 -6.697 1.00 32.12 C ATOM 364 CE1 PHE A 25 11.729 0.562 -4.803 1.00 31.30 C ATOM 365 CE2 PHE A 25 11.930 1.919 -6.761 1.00 21.31 C ATOM 366 CZ PHE A 25 11.141 1.296 -5.814 1.00 14.43 C ATOM 0 H PHE A 25 15.323 3.441 -5.891 1.00 24.24 H new ATOM 0 HA PHE A 25 15.735 1.678 -3.627 1.00 25.31 H new ATOM 0 HB2 PHE A 25 15.820 1.109 -6.614 1.00 52.03 H new ATOM 0 HB3 PHE A 25 15.664 -0.073 -5.330 1.00 52.03 H new ATOM 0 HD1 PHE A 25 13.560 -0.127 -3.952 1.00 23.23 H new ATOM 0 HD2 PHE A 25 13.918 2.290 -7.441 1.00 32.12 H new ATOM 0 HE1 PHE A 25 11.114 0.076 -4.060 1.00 31.30 H new ATOM 0 HE2 PHE A 25 11.472 2.496 -7.551 1.00 21.31 H new ATOM 0 HZ PHE A 25 10.066 1.383 -5.864 1.00 14.43 H new ATOM 376 N SER A 26 18.107 0.749 -4.103 1.00 53.42 N ATOM 377 CA SER A 26 19.547 0.519 -4.096 1.00 14.04 C ATOM 378 C SER A 26 19.876 -0.881 -4.606 1.00 15.41 C ATOM 379 O SER A 26 21.029 -1.188 -4.912 1.00 14.24 O ATOM 380 CB SER A 26 20.107 0.704 -2.684 1.00 14.21 C ATOM 381 OG SER A 26 21.473 0.334 -2.625 1.00 3.41 O ATOM 0 H SER A 26 17.564 0.042 -3.607 1.00 53.42 H new ATOM 0 HA SER A 26 20.010 1.248 -4.762 1.00 14.04 H new ATOM 0 HB2 SER A 26 19.995 1.744 -2.378 1.00 14.21 H new ATOM 0 HB3 SER A 26 19.533 0.102 -1.980 1.00 14.21 H new ATOM 0 HG SER A 26 21.685 -0.257 -3.378 1.00 3.41 H new ATOM 387 N LEU A 27 18.855 -1.726 -4.695 1.00 54.23 N ATOM 388 CA LEU A 27 19.033 -3.094 -5.169 1.00 22.15 C ATOM 389 C LEU A 27 17.745 -3.630 -5.784 1.00 35.12 C ATOM 390 O LEU A 27 16.651 -3.382 -5.275 1.00 22.12 O ATOM 391 CB LEU A 27 19.477 -3.999 -4.018 1.00 2.22 C ATOM 392 CG LEU A 27 19.042 -5.462 -4.108 1.00 65.02 C ATOM 393 CD1 LEU A 27 17.543 -5.588 -3.886 1.00 62.14 C ATOM 394 CD2 LEU A 27 19.436 -6.053 -5.454 1.00 70.11 C ATOM 0 H LEU A 27 17.895 -1.488 -4.445 1.00 54.23 H new ATOM 0 HA LEU A 27 19.805 -3.088 -5.938 1.00 22.15 H new ATOM 0 HB2 LEU A 27 20.565 -3.967 -3.956 1.00 2.22 H new ATOM 0 HB3 LEU A 27 19.093 -3.583 -3.087 1.00 2.22 H new ATOM 0 HG LEU A 27 19.552 -6.022 -3.324 1.00 65.02 H new ATOM 0 HD11 LEU A 27 17.252 -6.636 -3.954 1.00 62.14 H new ATOM 0 HD12 LEU A 27 17.288 -5.204 -2.898 1.00 62.14 H new ATOM 0 HD13 LEU A 27 17.013 -5.014 -4.647 1.00 62.14 H new ATOM 0 HD21 LEU A 27 19.119 -7.095 -5.501 1.00 70.11 H new ATOM 0 HD22 LEU A 27 18.954 -5.491 -6.254 1.00 70.11 H new ATOM 0 HD23 LEU A 27 20.518 -5.998 -5.573 1.00 70.11 H new ATOM 406 N PHE A 28 17.881 -4.368 -6.881 1.00 12.05 N ATOM 407 CA PHE A 28 16.727 -4.941 -7.565 1.00 4.32 C ATOM 408 C PHE A 28 16.973 -6.407 -7.911 1.00 12.54 C ATOM 409 O PHE A 28 18.089 -6.797 -8.250 1.00 5.31 O ATOM 410 CB PHE A 28 16.418 -4.150 -8.838 1.00 2.44 C ATOM 411 CG PHE A 28 14.974 -3.756 -8.963 1.00 20.41 C ATOM 412 CD1 PHE A 28 13.978 -4.719 -8.969 1.00 20.54 C ATOM 413 CD2 PHE A 28 14.613 -2.424 -9.076 1.00 14.53 C ATOM 414 CE1 PHE A 28 12.648 -4.361 -9.083 1.00 60.04 C ATOM 415 CE2 PHE A 28 13.284 -2.059 -9.190 1.00 64.03 C ATOM 416 CZ PHE A 28 12.301 -3.029 -9.195 1.00 40.05 C ATOM 0 H PHE A 28 18.778 -4.583 -7.315 1.00 12.05 H new ATOM 0 HA PHE A 28 15.871 -4.883 -6.892 1.00 4.32 H new ATOM 0 HB2 PHE A 28 17.034 -3.251 -8.856 1.00 2.44 H new ATOM 0 HB3 PHE A 28 16.700 -4.748 -9.705 1.00 2.44 H new ATOM 0 HD1 PHE A 28 14.244 -5.762 -8.884 1.00 20.54 H new ATOM 0 HD2 PHE A 28 15.378 -1.662 -9.075 1.00 14.53 H new ATOM 0 HE1 PHE A 28 11.881 -5.122 -9.084 1.00 60.04 H new ATOM 0 HE2 PHE A 28 13.015 -1.016 -9.275 1.00 64.03 H new ATOM 0 HZ PHE A 28 11.263 -2.746 -9.286 1.00 40.05 H new ATOM 426 N ALA A 29 15.921 -7.213 -7.821 1.00 74.51 N ATOM 427 CA ALA A 29 16.020 -8.635 -8.126 1.00 24.45 C ATOM 428 C ALA A 29 14.922 -9.069 -9.091 1.00 44.40 C ATOM 429 O ALA A 29 13.744 -8.789 -8.872 1.00 54.32 O ATOM 430 CB ALA A 29 15.954 -9.455 -6.845 1.00 73.14 C ATOM 0 H ALA A 29 14.990 -6.906 -7.539 1.00 74.51 H new ATOM 0 HA ALA A 29 16.981 -8.811 -8.609 1.00 24.45 H new ATOM 0 HB1 ALA A 29 16.029 -10.515 -7.087 1.00 73.14 H new ATOM 0 HB2 ALA A 29 16.778 -9.173 -6.190 1.00 73.14 H new ATOM 0 HB3 ALA A 29 15.007 -9.265 -6.339 1.00 73.14 H new ATOM 436 N PHE A 30 15.317 -9.752 -10.160 1.00 71.21 N ATOM 437 CA PHE A 30 14.366 -10.223 -11.160 1.00 52.45 C ATOM 438 C PHE A 30 14.326 -11.748 -11.199 1.00 3.53 C ATOM 439 O PHE A 30 15.340 -12.400 -11.450 1.00 70.01 O ATOM 440 CB PHE A 30 14.734 -9.676 -12.541 1.00 53.05 C ATOM 441 CG PHE A 30 14.402 -8.222 -12.719 1.00 15.15 C ATOM 442 CD1 PHE A 30 14.781 -7.290 -11.766 1.00 33.01 C ATOM 443 CD2 PHE A 30 13.710 -7.787 -13.837 1.00 75.14 C ATOM 444 CE1 PHE A 30 14.477 -5.951 -11.926 1.00 20.10 C ATOM 445 CE2 PHE A 30 13.403 -6.450 -14.003 1.00 44.51 C ATOM 446 CZ PHE A 30 13.786 -5.531 -13.046 1.00 5.44 C ATOM 0 H PHE A 30 16.289 -9.992 -10.356 1.00 71.21 H new ATOM 0 HA PHE A 30 13.377 -9.859 -10.883 1.00 52.45 H new ATOM 0 HB2 PHE A 30 15.802 -9.819 -12.707 1.00 53.05 H new ATOM 0 HB3 PHE A 30 14.212 -10.255 -13.303 1.00 53.05 H new ATOM 0 HD1 PHE A 30 15.320 -7.614 -10.888 1.00 33.01 H new ATOM 0 HD2 PHE A 30 13.407 -8.501 -14.588 1.00 75.14 H new ATOM 0 HE1 PHE A 30 14.779 -5.234 -11.177 1.00 20.10 H new ATOM 0 HE2 PHE A 30 12.864 -6.124 -14.880 1.00 44.51 H new ATOM 0 HZ PHE A 30 13.546 -4.486 -13.173 1.00 5.44 H new ATOM 456 N HIS A 31 13.148 -12.310 -10.947 1.00 3.52 N ATOM 457 CA HIS A 31 12.975 -13.758 -10.952 1.00 44.22 C ATOM 458 C HIS A 31 11.547 -14.133 -11.333 1.00 55.05 C ATOM 459 O HIS A 31 10.672 -14.238 -10.475 1.00 34.20 O ATOM 460 CB HIS A 31 13.319 -14.339 -9.580 1.00 53.31 C ATOM 461 CG HIS A 31 14.773 -14.656 -9.411 1.00 34.02 C ATOM 462 ND1 HIS A 31 15.287 -15.928 -9.551 1.00 14.11 N ATOM 463 CD2 HIS A 31 15.824 -13.858 -9.113 1.00 2.40 C ATOM 464 CE1 HIS A 31 16.591 -15.898 -9.345 1.00 21.42 C ATOM 465 NE2 HIS A 31 16.943 -14.654 -9.078 1.00 13.53 N ATOM 0 H HIS A 31 12.299 -11.785 -10.737 1.00 3.52 H new ATOM 0 HA HIS A 31 13.653 -14.177 -11.696 1.00 44.22 H new ATOM 0 HB2 HIS A 31 13.018 -13.630 -8.809 1.00 53.31 H new ATOM 0 HB3 HIS A 31 12.737 -15.247 -9.423 1.00 53.31 H new ATOM 0 HD2 HIS A 31 15.790 -12.793 -8.936 1.00 2.40 H new ATOM 0 HE1 HIS A 31 17.257 -16.747 -9.388 1.00 21.42 H new ATOM 0 HE2 HIS A 31 17.891 -14.336 -8.878 1.00 13.53 H new ATOM 473 N GLY A 32 11.317 -14.333 -12.628 1.00 4.01 N ATOM 474 CA GLY A 32 9.993 -14.693 -13.100 1.00 22.11 C ATOM 475 C GLY A 32 10.037 -15.628 -14.293 1.00 1.44 C ATOM 476 O GLY A 32 11.112 -16.037 -14.731 1.00 62.03 O ATOM 0 H GLY A 32 12.025 -14.252 -13.358 1.00 4.01 H new ATOM 0 HA2 GLY A 32 9.439 -15.168 -12.290 1.00 22.11 H new ATOM 0 HA3 GLY A 32 9.449 -13.788 -13.371 1.00 22.11 H new ATOM 480 N LYS A 33 8.865 -15.968 -14.819 1.00 25.12 N ATOM 481 CA LYS A 33 8.773 -16.861 -15.968 1.00 12.21 C ATOM 482 C LYS A 33 7.777 -16.327 -16.992 1.00 73.25 C ATOM 483 O LYS A 33 7.359 -15.170 -16.924 1.00 22.34 O ATOM 484 CB LYS A 33 8.356 -18.263 -15.518 1.00 41.11 C ATOM 485 CG LYS A 33 9.007 -18.703 -14.219 1.00 24.45 C ATOM 486 CD LYS A 33 7.988 -19.284 -13.253 1.00 0.13 C ATOM 487 CE LYS A 33 7.585 -20.696 -13.649 1.00 65.04 C ATOM 488 NZ LYS A 33 8.349 -21.724 -12.890 1.00 30.52 N ATOM 0 H LYS A 33 7.966 -15.639 -14.468 1.00 25.12 H new ATOM 0 HA LYS A 33 9.756 -16.914 -16.436 1.00 12.21 H new ATOM 0 HB2 LYS A 33 7.273 -18.290 -15.399 1.00 41.11 H new ATOM 0 HB3 LYS A 33 8.609 -18.977 -16.302 1.00 41.11 H new ATOM 0 HG2 LYS A 33 9.775 -19.447 -14.430 1.00 24.45 H new ATOM 0 HG3 LYS A 33 9.506 -17.852 -13.755 1.00 24.45 H new ATOM 0 HD2 LYS A 33 8.404 -19.292 -12.246 1.00 0.13 H new ATOM 0 HD3 LYS A 33 7.104 -18.646 -13.228 1.00 0.13 H new ATOM 0 HE2 LYS A 33 6.518 -20.832 -13.472 1.00 65.04 H new ATOM 0 HE3 LYS A 33 7.751 -20.835 -14.717 1.00 65.04 H new ATOM 0 HZ1 LYS A 33 8.045 -22.673 -13.189 1.00 30.52 H new ATOM 0 HZ2 LYS A 33 9.365 -21.610 -13.078 1.00 30.52 H new ATOM 0 HZ3 LYS A 33 8.171 -21.608 -11.872 1.00 30.52 H new ATOM 502 N LEU A 34 7.398 -17.177 -17.941 1.00 44.20 N ATOM 503 CA LEU A 34 6.449 -16.791 -18.980 1.00 3.04 C ATOM 504 C LEU A 34 5.304 -17.795 -19.071 1.00 3.51 C ATOM 505 O LEU A 34 5.491 -18.987 -18.835 1.00 62.30 O ATOM 506 CB LEU A 34 7.158 -16.684 -20.331 1.00 53.21 C ATOM 507 CG LEU A 34 6.261 -16.407 -21.539 1.00 5.34 C ATOM 508 CD1 LEU A 34 6.009 -14.914 -21.685 1.00 23.12 C ATOM 509 CD2 LEU A 34 6.886 -16.971 -22.807 1.00 14.23 C ATOM 0 H LEU A 34 7.733 -18.138 -18.012 1.00 44.20 H new ATOM 0 HA LEU A 34 6.034 -15.818 -18.717 1.00 3.04 H new ATOM 0 HB2 LEU A 34 7.902 -15.890 -20.267 1.00 53.21 H new ATOM 0 HB3 LEU A 34 7.698 -17.614 -20.510 1.00 53.21 H new ATOM 0 HG LEU A 34 5.303 -16.902 -21.378 1.00 5.34 H new ATOM 0 HD11 LEU A 34 5.369 -14.736 -22.549 1.00 23.12 H new ATOM 0 HD12 LEU A 34 5.519 -14.538 -20.787 1.00 23.12 H new ATOM 0 HD13 LEU A 34 6.958 -14.397 -21.824 1.00 23.12 H new ATOM 0 HD21 LEU A 34 6.235 -16.765 -23.656 1.00 14.23 H new ATOM 0 HD22 LEU A 34 7.857 -16.504 -22.973 1.00 14.23 H new ATOM 0 HD23 LEU A 34 7.015 -18.048 -22.701 1.00 14.23 H new ATOM 521 N ASN A 35 4.119 -17.302 -19.417 1.00 21.41 N ATOM 522 CA ASN A 35 2.944 -18.157 -19.541 1.00 54.34 C ATOM 523 C ASN A 35 2.954 -19.254 -18.481 1.00 53.31 C ATOM 524 O ASN A 35 2.510 -20.374 -18.730 1.00 22.22 O ATOM 525 CB ASN A 35 2.887 -18.781 -20.937 1.00 32.20 C ATOM 526 CG ASN A 35 2.275 -17.848 -21.964 1.00 3.43 C ATOM 527 OD1 ASN A 35 1.395 -18.240 -22.730 1.00 65.30 O ATOM 528 ND2 ASN A 35 2.741 -16.604 -21.983 1.00 55.14 N ATOM 0 H ASN A 35 3.947 -16.316 -19.616 1.00 21.41 H new ATOM 0 HA ASN A 35 2.059 -17.539 -19.390 1.00 54.34 H new ATOM 0 HB2 ASN A 35 3.895 -19.052 -21.252 1.00 32.20 H new ATOM 0 HB3 ASN A 35 2.307 -19.703 -20.896 1.00 32.20 H new ATOM 0 HD21 ASN A 35 2.368 -15.930 -22.652 1.00 55.14 H new ATOM 0 HD22 ASN A 35 3.471 -16.323 -21.329 1.00 55.14 H new ATOM 535 N GLU A 36 3.462 -18.922 -17.299 1.00 3.44 N ATOM 536 CA GLU A 36 3.530 -19.879 -16.201 1.00 31.11 C ATOM 537 C GLU A 36 3.761 -19.167 -14.871 1.00 52.11 C ATOM 538 O GLU A 36 4.671 -18.349 -14.744 1.00 41.30 O ATOM 539 CB GLU A 36 4.647 -20.895 -16.449 1.00 2.33 C ATOM 540 CG GLU A 36 4.740 -21.970 -15.379 1.00 65.13 C ATOM 541 CD GLU A 36 4.277 -23.327 -15.874 1.00 2.50 C ATOM 542 OE1 GLU A 36 4.879 -23.843 -16.839 1.00 3.31 O ATOM 543 OE2 GLU A 36 3.313 -23.872 -15.297 1.00 43.41 O ATOM 0 H GLU A 36 3.832 -17.998 -17.077 1.00 3.44 H new ATOM 0 HA GLU A 36 2.576 -20.404 -16.151 1.00 31.11 H new ATOM 0 HB2 GLU A 36 4.486 -21.370 -17.417 1.00 2.33 H new ATOM 0 HB3 GLU A 36 5.600 -20.368 -16.507 1.00 2.33 H new ATOM 0 HG2 GLU A 36 5.771 -22.046 -15.034 1.00 65.13 H new ATOM 0 HG3 GLU A 36 4.137 -21.676 -14.520 1.00 65.13 H new ATOM 550 N GLU A 37 2.929 -19.485 -13.884 1.00 50.41 N ATOM 551 CA GLU A 37 3.042 -18.874 -12.565 1.00 33.03 C ATOM 552 C GLU A 37 3.699 -19.833 -11.576 1.00 11.31 C ATOM 553 O GLU A 37 3.574 -21.051 -11.700 1.00 0.31 O ATOM 554 CB GLU A 37 1.661 -18.460 -12.050 1.00 64.30 C ATOM 555 CG GLU A 37 0.727 -19.633 -11.803 1.00 42.03 C ATOM 556 CD GLU A 37 -0.469 -19.256 -10.952 1.00 34.45 C ATOM 557 OE1 GLU A 37 -0.265 -18.827 -9.797 1.00 50.10 O ATOM 558 OE2 GLU A 37 -1.611 -19.391 -11.440 1.00 62.24 O ATOM 0 H GLU A 37 2.171 -20.161 -13.973 1.00 50.41 H new ATOM 0 HA GLU A 37 3.669 -17.987 -12.656 1.00 33.03 H new ATOM 0 HB2 GLU A 37 1.781 -17.900 -11.122 1.00 64.30 H new ATOM 0 HB3 GLU A 37 1.201 -17.785 -12.772 1.00 64.30 H new ATOM 0 HG2 GLU A 37 0.379 -20.023 -12.759 1.00 42.03 H new ATOM 0 HG3 GLU A 37 1.279 -20.435 -11.313 1.00 42.03 H new ATOM 565 N MET A 38 4.400 -19.273 -10.595 1.00 34.10 N ATOM 566 CA MET A 38 5.076 -20.078 -9.584 1.00 42.14 C ATOM 567 C MET A 38 4.288 -20.086 -8.279 1.00 32.04 C ATOM 568 O MET A 38 3.181 -19.552 -8.208 1.00 64.35 O ATOM 569 CB MET A 38 6.488 -19.544 -9.338 1.00 4.42 C ATOM 570 CG MET A 38 6.533 -18.051 -9.055 1.00 54.31 C ATOM 571 SD MET A 38 6.872 -17.074 -10.532 1.00 51.21 S ATOM 572 CE MET A 38 8.638 -16.821 -10.373 1.00 30.52 C ATOM 0 H MET A 38 4.515 -18.266 -10.479 1.00 34.10 H new ATOM 0 HA MET A 38 5.141 -21.101 -9.954 1.00 42.14 H new ATOM 0 HB2 MET A 38 6.928 -20.078 -8.496 1.00 4.42 H new ATOM 0 HB3 MET A 38 7.106 -19.759 -10.210 1.00 4.42 H new ATOM 0 HG2 MET A 38 5.581 -17.737 -8.627 1.00 54.31 H new ATOM 0 HG3 MET A 38 7.300 -17.850 -8.307 1.00 54.31 H new ATOM 0 HE1 MET A 38 9.115 -16.964 -11.343 1.00 30.52 H new ATOM 0 HE2 MET A 38 8.830 -15.808 -10.020 1.00 30.52 H new ATOM 0 HE3 MET A 38 9.045 -17.537 -9.660 1.00 30.52 H new ATOM 648 N GLY A 44 11.687 -18.732 -10.473 1.00 74.21 N ATOM 649 CA GLY A 44 11.121 -19.281 -11.692 1.00 4.31 C ATOM 650 C GLY A 44 12.185 -19.685 -12.693 1.00 71.43 C ATOM 651 O GLY A 44 12.972 -20.598 -12.440 1.00 33.23 O ATOM 0 HA2 GLY A 44 10.509 -20.149 -11.446 1.00 4.31 H new ATOM 0 HA3 GLY A 44 10.460 -18.543 -12.147 1.00 4.31 H new ATOM 655 N HIS A 45 12.209 -19.006 -13.836 1.00 31.32 N ATOM 656 CA HIS A 45 13.184 -19.301 -14.880 1.00 74.21 C ATOM 657 C HIS A 45 14.298 -18.259 -14.893 1.00 21.42 C ATOM 658 O HIS A 45 15.480 -18.600 -14.832 1.00 15.11 O ATOM 659 CB HIS A 45 12.499 -19.350 -16.247 1.00 5.14 C ATOM 660 CG HIS A 45 12.915 -20.521 -17.083 1.00 14.11 C ATOM 661 ND1 HIS A 45 12.367 -21.778 -16.942 1.00 35.40 N ATOM 662 CD2 HIS A 45 13.829 -20.620 -18.076 1.00 2.02 C ATOM 663 CE1 HIS A 45 12.927 -22.601 -17.811 1.00 3.43 C ATOM 664 NE2 HIS A 45 13.818 -21.922 -18.511 1.00 62.22 N ATOM 0 H HIS A 45 11.565 -18.248 -14.062 1.00 31.32 H new ATOM 0 HA HIS A 45 13.625 -20.275 -14.667 1.00 74.21 H new ATOM 0 HB2 HIS A 45 11.419 -19.383 -16.102 1.00 5.14 H new ATOM 0 HB3 HIS A 45 12.720 -18.430 -16.789 1.00 5.14 H new ATOM 0 HD2 HIS A 45 14.451 -19.823 -18.456 1.00 2.02 H new ATOM 0 HE1 HIS A 45 12.696 -23.649 -17.929 1.00 3.43 H new ATOM 0 HE2 HIS A 45 14.403 -22.303 -19.254 1.00 62.22 H new ATOM 672 N TRP A 46 13.914 -16.991 -14.973 1.00 41.31 N ATOM 673 CA TRP A 46 14.882 -15.899 -14.995 1.00 34.43 C ATOM 674 C TRP A 46 15.500 -15.693 -13.617 1.00 25.24 C ATOM 675 O TRP A 46 14.848 -15.907 -12.595 1.00 23.42 O ATOM 676 CB TRP A 46 14.213 -14.607 -15.466 1.00 10.13 C ATOM 677 CG TRP A 46 13.687 -14.687 -16.867 1.00 15.23 C ATOM 678 CD1 TRP A 46 14.393 -15.007 -17.991 1.00 20.34 C ATOM 679 CD2 TRP A 46 12.342 -14.440 -17.292 1.00 70.12 C ATOM 680 NE1 TRP A 46 13.569 -14.975 -19.089 1.00 54.54 N ATOM 681 CE2 TRP A 46 12.305 -14.630 -18.688 1.00 22.14 C ATOM 682 CE3 TRP A 46 11.165 -14.079 -16.631 1.00 23.25 C ATOM 683 CZ2 TRP A 46 11.138 -14.470 -19.430 1.00 2.32 C ATOM 684 CZ3 TRP A 46 10.008 -13.920 -17.369 1.00 31.13 C ATOM 685 CH2 TRP A 46 10.001 -14.116 -18.756 1.00 52.11 C ATOM 0 H TRP A 46 12.940 -16.693 -15.024 1.00 41.31 H new ATOM 0 HA TRP A 46 15.676 -16.164 -15.693 1.00 34.43 H new ATOM 0 HB2 TRP A 46 13.392 -14.364 -14.791 1.00 10.13 H new ATOM 0 HB3 TRP A 46 14.931 -13.790 -15.401 1.00 10.13 H new ATOM 0 HD1 TRP A 46 15.445 -15.250 -18.013 1.00 20.34 H new ATOM 0 HE1 TRP A 46 13.852 -15.176 -20.048 1.00 54.54 H new ATOM 0 HE3 TRP A 46 11.160 -13.927 -15.562 1.00 23.25 H new ATOM 0 HZ2 TRP A 46 11.130 -14.620 -20.500 1.00 2.32 H new ATOM 0 HZ3 TRP A 46 9.093 -13.640 -16.868 1.00 31.13 H new ATOM 0 HH2 TRP A 46 9.080 -13.985 -19.304 1.00 52.11 H new ATOM 696 N SER A 47 16.762 -15.276 -13.596 1.00 23.15 N ATOM 697 CA SER A 47 17.470 -15.044 -12.342 1.00 21.42 C ATOM 698 C SER A 47 18.539 -13.969 -12.512 1.00 14.22 C ATOM 699 O SER A 47 19.469 -14.122 -13.304 1.00 14.02 O ATOM 700 CB SER A 47 18.111 -16.342 -11.846 1.00 60.22 C ATOM 701 OG SER A 47 19.160 -16.754 -12.706 1.00 11.43 O ATOM 0 H SER A 47 17.315 -15.092 -14.433 1.00 23.15 H new ATOM 0 HA SER A 47 16.746 -14.699 -11.604 1.00 21.42 H new ATOM 0 HB2 SER A 47 18.499 -16.198 -10.838 1.00 60.22 H new ATOM 0 HB3 SER A 47 17.355 -17.125 -11.788 1.00 60.22 H new ATOM 0 HG SER A 47 19.529 -15.973 -13.169 1.00 11.43 H new ATOM 707 N ARG A 48 18.398 -12.880 -11.762 1.00 71.34 N ATOM 708 CA ARG A 48 19.349 -11.778 -11.830 1.00 44.23 C ATOM 709 C ARG A 48 19.041 -10.727 -10.767 1.00 60.34 C ATOM 710 O ARG A 48 17.945 -10.700 -10.207 1.00 23.23 O ATOM 711 CB ARG A 48 19.322 -11.137 -13.219 1.00 51.01 C ATOM 712 CG ARG A 48 20.701 -10.803 -13.763 1.00 43.21 C ATOM 713 CD ARG A 48 20.984 -9.311 -13.686 1.00 1.31 C ATOM 714 NE ARG A 48 22.147 -8.932 -14.484 1.00 24.05 N ATOM 715 CZ ARG A 48 22.139 -8.867 -15.810 1.00 63.53 C ATOM 716 NH1 ARG A 48 21.034 -9.154 -16.485 1.00 23.45 N ATOM 717 NH2 ARG A 48 23.238 -8.515 -16.465 1.00 50.23 N ATOM 0 H ARG A 48 17.634 -12.738 -11.101 1.00 71.34 H new ATOM 0 HA ARG A 48 20.345 -12.179 -11.642 1.00 44.23 H new ATOM 0 HB2 ARG A 48 18.821 -11.813 -13.912 1.00 51.01 H new ATOM 0 HB3 ARG A 48 18.727 -10.225 -13.177 1.00 51.01 H new ATOM 0 HG2 ARG A 48 21.458 -11.348 -13.198 1.00 43.21 H new ATOM 0 HG3 ARG A 48 20.775 -11.136 -14.798 1.00 43.21 H new ATOM 0 HD2 ARG A 48 20.111 -8.758 -14.033 1.00 1.31 H new ATOM 0 HD3 ARG A 48 21.149 -9.027 -12.647 1.00 1.31 H new ATOM 0 HE ARG A 48 23.013 -8.705 -13.996 1.00 24.05 H new ATOM 0 HH11 ARG A 48 20.187 -9.426 -15.985 1.00 23.45 H new ATOM 0 HH12 ARG A 48 21.031 -9.103 -17.504 1.00 23.45 H new ATOM 0 HH21 ARG A 48 24.090 -8.294 -15.950 1.00 50.23 H new ATOM 0 HH22 ARG A 48 23.231 -8.465 -17.484 1.00 50.23 H new ATOM 731 N ASP A 49 20.014 -9.865 -10.496 1.00 2.04 N ATOM 732 CA ASP A 49 19.847 -8.812 -9.501 1.00 20.04 C ATOM 733 C ASP A 49 20.543 -7.529 -9.945 1.00 31.23 C ATOM 734 O ASP A 49 21.758 -7.508 -10.146 1.00 34.25 O ATOM 735 CB ASP A 49 20.401 -9.266 -8.149 1.00 13.41 C ATOM 736 CG ASP A 49 21.783 -8.709 -7.873 1.00 45.43 C ATOM 737 OD1 ASP A 49 22.751 -9.185 -8.503 1.00 31.24 O ATOM 738 OD2 ASP A 49 21.898 -7.797 -7.028 1.00 5.44 O ATOM 0 H ASP A 49 20.927 -9.874 -10.951 1.00 2.04 H new ATOM 0 HA ASP A 49 18.781 -8.609 -9.399 1.00 20.04 H new ATOM 0 HB2 ASP A 49 19.721 -8.952 -7.357 1.00 13.41 H new ATOM 0 HB3 ASP A 49 20.439 -10.355 -8.123 1.00 13.41 H new ATOM 743 N ILE A 50 19.765 -6.463 -10.097 1.00 3.40 N ATOM 744 CA ILE A 50 20.307 -5.176 -10.517 1.00 63.53 C ATOM 745 C ILE A 50 20.815 -4.377 -9.322 1.00 43.13 C ATOM 746 O ILE A 50 20.031 -3.900 -8.501 1.00 23.22 O ATOM 747 CB ILE A 50 19.255 -4.341 -11.270 1.00 11.12 C ATOM 748 CG1 ILE A 50 18.452 -5.230 -12.222 1.00 41.40 C ATOM 749 CG2 ILE A 50 19.925 -3.208 -12.032 1.00 52.44 C ATOM 750 CD1 ILE A 50 19.227 -5.655 -13.450 1.00 0.44 C ATOM 0 H ILE A 50 18.758 -6.465 -9.936 1.00 3.40 H new ATOM 0 HA ILE A 50 21.139 -5.388 -11.189 1.00 63.53 H new ATOM 0 HB ILE A 50 18.568 -3.907 -10.543 1.00 11.12 H new ATOM 0 HG12 ILE A 50 18.122 -6.119 -11.685 1.00 41.40 H new ATOM 0 HG13 ILE A 50 17.555 -4.696 -12.535 1.00 41.40 H new ATOM 0 HG21 ILE A 50 19.168 -2.627 -12.559 1.00 52.44 H new ATOM 0 HG22 ILE A 50 20.456 -2.563 -11.332 1.00 52.44 H new ATOM 0 HG23 ILE A 50 20.632 -3.621 -12.752 1.00 52.44 H new ATOM 0 HD11 ILE A 50 18.596 -6.283 -14.079 1.00 0.44 H new ATOM 0 HD12 ILE A 50 19.534 -4.772 -14.010 1.00 0.44 H new ATOM 0 HD13 ILE A 50 20.110 -6.217 -13.146 1.00 0.44 H new ATOM 762 N THR A 51 22.134 -4.232 -9.231 1.00 53.25 N ATOM 763 CA THR A 51 22.747 -3.489 -8.138 1.00 23.32 C ATOM 764 C THR A 51 23.008 -2.041 -8.535 1.00 11.24 C ATOM 765 O THR A 51 23.924 -1.400 -8.019 1.00 43.03 O ATOM 766 CB THR A 51 24.074 -4.135 -7.695 1.00 71.12 C ATOM 767 OG1 THR A 51 24.875 -4.443 -8.841 1.00 44.32 O ATOM 768 CG2 THR A 51 23.818 -5.403 -6.894 1.00 10.40 C ATOM 0 H THR A 51 22.798 -4.620 -9.902 1.00 53.25 H new ATOM 0 HA THR A 51 22.043 -3.513 -7.306 1.00 23.32 H new ATOM 0 HB THR A 51 24.605 -3.425 -7.061 1.00 71.12 H new ATOM 0 HG1 THR A 51 25.717 -4.852 -8.551 1.00 44.32 H new ATOM 0 HG21 THR A 51 24.769 -5.841 -6.592 1.00 10.40 H new ATOM 0 HG22 THR A 51 23.232 -5.161 -6.007 1.00 10.40 H new ATOM 0 HG23 THR A 51 23.268 -6.117 -7.508 1.00 10.40 H new ATOM 776 N LYS A 52 22.196 -1.529 -9.453 1.00 42.25 N ATOM 777 CA LYS A 52 22.337 -0.154 -9.919 1.00 31.20 C ATOM 778 C LYS A 52 21.429 0.111 -11.116 1.00 32.34 C ATOM 779 O LYS A 52 21.334 -0.693 -12.043 1.00 61.04 O ATOM 780 CB LYS A 52 23.792 0.132 -10.296 1.00 62.35 C ATOM 781 CG LYS A 52 23.954 1.298 -11.257 1.00 33.54 C ATOM 782 CD LYS A 52 25.387 1.423 -11.745 1.00 60.12 C ATOM 783 CE LYS A 52 26.049 2.684 -11.212 1.00 24.12 C ATOM 784 NZ LYS A 52 27.394 2.901 -11.814 1.00 51.40 N ATOM 0 H LYS A 52 21.433 -2.046 -9.890 1.00 42.25 H new ATOM 0 HA LYS A 52 22.041 0.510 -9.107 1.00 31.20 H new ATOM 0 HB2 LYS A 52 24.360 0.338 -9.389 1.00 62.35 H new ATOM 0 HB3 LYS A 52 24.224 -0.762 -10.746 1.00 62.35 H new ATOM 0 HG2 LYS A 52 23.289 1.163 -12.110 1.00 33.54 H new ATOM 0 HG3 LYS A 52 23.655 2.222 -10.763 1.00 33.54 H new ATOM 0 HD2 LYS A 52 25.958 0.550 -11.429 1.00 60.12 H new ATOM 0 HD3 LYS A 52 25.402 1.436 -12.835 1.00 60.12 H new ATOM 0 HE2 LYS A 52 25.414 3.544 -11.422 1.00 24.12 H new ATOM 0 HE3 LYS A 52 26.143 2.615 -10.128 1.00 24.12 H new ATOM 0 HZ1 LYS A 52 27.812 3.770 -11.425 1.00 51.40 H new ATOM 0 HZ2 LYS A 52 28.008 2.092 -11.592 1.00 51.40 H new ATOM 0 HZ3 LYS A 52 27.302 2.993 -12.846 1.00 51.40 H new ATOM 798 N PRO A 53 20.745 1.265 -11.097 1.00 25.30 N ATOM 799 CA PRO A 53 19.835 1.663 -12.174 1.00 74.34 C ATOM 800 C PRO A 53 20.575 2.009 -13.462 1.00 23.34 C ATOM 801 O PRO A 53 21.795 1.863 -13.547 1.00 72.40 O ATOM 802 CB PRO A 53 19.137 2.902 -11.609 1.00 50.52 C ATOM 803 CG PRO A 53 20.096 3.455 -10.612 1.00 51.20 C ATOM 804 CD PRO A 53 20.810 2.270 -10.023 1.00 51.10 C ATOM 0 HA PRO A 53 19.152 0.859 -12.447 1.00 74.34 H new ATOM 0 HB2 PRO A 53 18.920 3.627 -12.394 1.00 50.52 H new ATOM 0 HB3 PRO A 53 18.186 2.643 -11.143 1.00 50.52 H new ATOM 0 HG2 PRO A 53 20.800 4.139 -11.086 1.00 51.20 H new ATOM 0 HG3 PRO A 53 19.574 4.019 -9.840 1.00 51.20 H new ATOM 0 HD2 PRO A 53 21.840 2.511 -9.760 1.00 51.10 H new ATOM 0 HD3 PRO A 53 20.323 1.918 -9.114 1.00 51.10 H new ATOM 812 N LYS A 54 19.831 2.468 -14.462 1.00 0.54 N ATOM 813 CA LYS A 54 20.417 2.837 -15.745 1.00 14.50 C ATOM 814 C LYS A 54 19.519 3.820 -16.490 1.00 41.31 C ATOM 815 O LYS A 54 18.445 3.456 -16.966 1.00 32.01 O ATOM 816 CB LYS A 54 20.647 1.590 -16.601 1.00 55.24 C ATOM 817 CG LYS A 54 21.153 1.898 -18.000 1.00 24.42 C ATOM 818 CD LYS A 54 20.293 1.235 -19.063 1.00 0.51 C ATOM 819 CE LYS A 54 20.482 -0.274 -19.073 1.00 3.32 C ATOM 820 NZ LYS A 54 21.401 -0.710 -20.160 1.00 60.34 N ATOM 0 H LYS A 54 18.820 2.593 -14.409 1.00 0.54 H new ATOM 0 HA LYS A 54 21.375 3.320 -15.554 1.00 14.50 H new ATOM 0 HB2 LYS A 54 21.365 0.942 -16.098 1.00 55.24 H new ATOM 0 HB3 LYS A 54 19.713 1.033 -16.676 1.00 55.24 H new ATOM 0 HG2 LYS A 54 21.159 2.977 -18.156 1.00 24.42 H new ATOM 0 HG3 LYS A 54 22.183 1.556 -18.099 1.00 24.42 H new ATOM 0 HD2 LYS A 54 19.244 1.470 -18.882 1.00 0.51 H new ATOM 0 HD3 LYS A 54 20.546 1.641 -20.042 1.00 0.51 H new ATOM 0 HE2 LYS A 54 20.879 -0.597 -18.111 1.00 3.32 H new ATOM 0 HE3 LYS A 54 19.515 -0.760 -19.198 1.00 3.32 H new ATOM 0 HZ1 LYS A 54 21.504 -1.745 -20.133 1.00 60.34 H new ATOM 0 HZ2 LYS A 54 21.010 -0.424 -21.080 1.00 60.34 H new ATOM 0 HZ3 LYS A 54 22.332 -0.266 -20.027 1.00 60.34 H new ATOM 834 N ASN A 55 19.968 5.067 -16.588 1.00 43.34 N ATOM 835 CA ASN A 55 19.206 6.102 -17.277 1.00 14.41 C ATOM 836 C ASN A 55 18.142 6.696 -16.358 1.00 41.32 C ATOM 837 O ASN A 55 17.223 7.375 -16.813 1.00 54.23 O ATOM 838 CB ASN A 55 18.548 5.529 -18.534 1.00 14.33 C ATOM 839 CG ASN A 55 18.399 6.565 -19.632 1.00 34.24 C ATOM 840 OD1 ASN A 55 17.865 7.651 -19.407 1.00 44.51 O ATOM 841 ND2 ASN A 55 18.870 6.231 -20.827 1.00 43.13 N ATOM 0 H ASN A 55 20.856 5.385 -16.199 1.00 43.34 H new ATOM 0 HA ASN A 55 19.896 6.895 -17.566 1.00 14.41 H new ATOM 0 HB2 ASN A 55 19.143 4.694 -18.904 1.00 14.33 H new ATOM 0 HB3 ASN A 55 17.566 5.131 -18.278 1.00 14.33 H new ATOM 0 HD21 ASN A 55 18.797 6.886 -21.605 1.00 43.13 H new ATOM 0 HD22 ASN A 55 19.305 5.319 -20.967 1.00 43.13 H new ATOM 848 N GLY A 56 18.275 6.435 -15.061 1.00 44.52 N ATOM 849 CA GLY A 56 17.320 6.952 -14.099 1.00 32.33 C ATOM 850 C GLY A 56 16.350 5.890 -13.618 1.00 5.23 C ATOM 851 O GLY A 56 15.695 6.059 -12.589 1.00 62.21 O ATOM 0 H GLY A 56 19.027 5.875 -14.660 1.00 44.52 H new ATOM 0 HA2 GLY A 56 17.856 7.364 -13.244 1.00 32.33 H new ATOM 0 HA3 GLY A 56 16.762 7.772 -14.550 1.00 32.33 H new ATOM 855 N ARG A 57 16.258 4.794 -14.364 1.00 15.24 N ATOM 856 CA ARG A 57 15.359 3.703 -14.009 1.00 32.52 C ATOM 857 C ARG A 57 16.067 2.356 -14.124 1.00 21.11 C ATOM 858 O ARG A 57 17.091 2.238 -14.797 1.00 71.31 O ATOM 859 CB ARG A 57 14.122 3.719 -14.909 1.00 30.20 C ATOM 860 CG ARG A 57 13.643 5.118 -15.261 1.00 64.33 C ATOM 861 CD ARG A 57 14.185 5.569 -16.609 1.00 21.03 C ATOM 862 NE ARG A 57 13.769 6.930 -16.938 1.00 24.32 N ATOM 863 CZ ARG A 57 12.537 7.251 -17.315 1.00 34.34 C ATOM 864 NH1 ARG A 57 11.604 6.314 -17.409 1.00 35.52 N ATOM 865 NH2 ARG A 57 12.235 8.512 -17.597 1.00 61.54 N ATOM 0 H ARG A 57 16.795 4.638 -15.217 1.00 15.24 H new ATOM 0 HA ARG A 57 15.048 3.844 -12.974 1.00 32.52 H new ATOM 0 HB2 ARG A 57 14.345 3.178 -15.829 1.00 30.20 H new ATOM 0 HB3 ARG A 57 13.314 3.182 -14.412 1.00 30.20 H new ATOM 0 HG2 ARG A 57 12.553 5.137 -15.281 1.00 64.33 H new ATOM 0 HG3 ARG A 57 13.960 5.818 -14.488 1.00 64.33 H new ATOM 0 HD2 ARG A 57 15.274 5.515 -16.599 1.00 21.03 H new ATOM 0 HD3 ARG A 57 13.840 4.887 -17.385 1.00 21.03 H new ATOM 0 HE ARG A 57 14.463 7.675 -16.875 1.00 24.32 H new ATOM 0 HH11 ARG A 57 11.832 5.344 -17.191 1.00 35.52 H new ATOM 0 HH12 ARG A 57 10.658 6.563 -17.699 1.00 35.52 H new ATOM 0 HH21 ARG A 57 12.950 9.236 -17.524 1.00 61.54 H new ATOM 0 HH22 ARG A 57 11.288 8.757 -17.887 1.00 61.54 H new ATOM 879 N TRP A 58 15.516 1.345 -13.462 1.00 55.15 N ATOM 880 CA TRP A 58 16.095 0.007 -13.490 1.00 61.12 C ATOM 881 C TRP A 58 15.622 -0.766 -14.716 1.00 41.14 C ATOM 882 O TRP A 58 14.562 -1.392 -14.696 1.00 11.13 O ATOM 883 CB TRP A 58 15.727 -0.757 -12.217 1.00 71.12 C ATOM 884 CG TRP A 58 15.979 0.023 -10.962 1.00 62.24 C ATOM 885 CD1 TRP A 58 15.227 1.052 -10.472 1.00 45.11 C ATOM 886 CD2 TRP A 58 17.059 -0.163 -10.040 1.00 73.05 C ATOM 887 NE1 TRP A 58 15.775 1.517 -9.301 1.00 13.52 N ATOM 888 CE2 TRP A 58 16.898 0.788 -9.014 1.00 1.21 C ATOM 889 CE3 TRP A 58 18.144 -1.041 -9.981 1.00 31.41 C ATOM 890 CZ2 TRP A 58 17.783 0.884 -7.943 1.00 43.25 C ATOM 891 CZ3 TRP A 58 19.022 -0.945 -8.918 1.00 53.51 C ATOM 892 CH2 TRP A 58 18.837 0.012 -7.911 1.00 30.24 C ATOM 0 H TRP A 58 14.669 1.426 -12.899 1.00 55.15 H new ATOM 0 HA TRP A 58 17.179 0.109 -13.544 1.00 61.12 H new ATOM 0 HB2 TRP A 58 14.673 -1.033 -12.259 1.00 71.12 H new ATOM 0 HB3 TRP A 58 16.298 -1.685 -12.181 1.00 71.12 H new ATOM 0 HD1 TRP A 58 14.334 1.443 -10.936 1.00 45.11 H new ATOM 0 HE1 TRP A 58 15.405 2.282 -8.737 1.00 13.52 H new ATOM 0 HE3 TRP A 58 18.294 -1.782 -10.752 1.00 31.41 H new ATOM 0 HZ2 TRP A 58 17.642 1.620 -7.166 1.00 43.25 H new ATOM 0 HZ3 TRP A 58 19.864 -1.618 -8.862 1.00 53.51 H new ATOM 0 HH2 TRP A 58 19.541 0.062 -7.093 1.00 30.24 H new ATOM 903 N ILE A 59 16.414 -0.718 -15.782 1.00 71.23 N ATOM 904 CA ILE A 59 16.075 -1.415 -17.017 1.00 24.53 C ATOM 905 C ILE A 59 16.794 -2.758 -17.105 1.00 0.43 C ATOM 906 O ILE A 59 17.945 -2.887 -16.686 1.00 15.42 O ATOM 907 CB ILE A 59 16.432 -0.573 -18.255 1.00 41.34 C ATOM 908 CG1 ILE A 59 15.857 0.839 -18.122 1.00 33.21 C ATOM 909 CG2 ILE A 59 15.916 -1.244 -19.519 1.00 54.23 C ATOM 910 CD1 ILE A 59 16.533 1.854 -19.017 1.00 14.04 C ATOM 0 H ILE A 59 17.294 -0.204 -15.815 1.00 71.23 H new ATOM 0 HA ILE A 59 14.998 -1.582 -17.000 1.00 24.53 H new ATOM 0 HB ILE A 59 17.517 -0.498 -18.324 1.00 41.34 H new ATOM 0 HG12 ILE A 59 14.793 0.813 -18.356 1.00 33.21 H new ATOM 0 HG13 ILE A 59 15.948 1.163 -17.085 1.00 33.21 H new ATOM 0 HG21 ILE A 59 16.176 -0.636 -20.386 1.00 54.23 H new ATOM 0 HG22 ILE A 59 16.369 -2.230 -19.618 1.00 54.23 H new ATOM 0 HG23 ILE A 59 14.832 -1.347 -19.460 1.00 54.23 H new ATOM 0 HD11 ILE A 59 16.074 2.832 -18.870 1.00 14.04 H new ATOM 0 HD12 ILE A 59 17.593 1.909 -18.769 1.00 14.04 H new ATOM 0 HD13 ILE A 59 16.420 1.553 -20.059 1.00 14.04 H new ATOM 922 N PHE A 60 16.108 -3.755 -17.654 1.00 4.30 N ATOM 923 CA PHE A 60 16.681 -5.088 -17.798 1.00 43.14 C ATOM 924 C PHE A 60 16.325 -5.689 -19.155 1.00 1.10 C ATOM 925 O PHE A 60 15.306 -5.342 -19.751 1.00 55.42 O ATOM 926 CB PHE A 60 16.186 -6.003 -16.677 1.00 21.14 C ATOM 927 CG PHE A 60 16.271 -7.464 -17.014 1.00 20.33 C ATOM 928 CD1 PHE A 60 17.464 -8.154 -16.868 1.00 33.35 C ATOM 929 CD2 PHE A 60 15.158 -8.148 -17.476 1.00 62.01 C ATOM 930 CE1 PHE A 60 17.545 -9.499 -17.178 1.00 14.33 C ATOM 931 CE2 PHE A 60 15.233 -9.493 -17.788 1.00 11.45 C ATOM 932 CZ PHE A 60 16.428 -10.169 -17.637 1.00 54.01 C ATOM 0 H PHE A 60 15.155 -3.665 -18.006 1.00 4.30 H new ATOM 0 HA PHE A 60 17.765 -4.999 -17.733 1.00 43.14 H new ATOM 0 HB2 PHE A 60 16.771 -5.811 -15.777 1.00 21.14 H new ATOM 0 HB3 PHE A 60 15.151 -5.752 -16.444 1.00 21.14 H new ATOM 0 HD1 PHE A 60 18.340 -7.635 -16.508 1.00 33.35 H new ATOM 0 HD2 PHE A 60 14.221 -7.624 -17.594 1.00 62.01 H new ATOM 0 HE1 PHE A 60 18.481 -10.025 -17.061 1.00 14.33 H new ATOM 0 HE2 PHE A 60 14.359 -10.014 -18.149 1.00 11.45 H new ATOM 0 HZ PHE A 60 16.489 -11.220 -17.878 1.00 54.01 H new ATOM 942 N ARG A 61 17.173 -6.592 -19.636 1.00 41.25 N ATOM 943 CA ARG A 61 16.950 -7.240 -20.923 1.00 73.10 C ATOM 944 C ARG A 61 17.430 -8.688 -20.893 1.00 24.00 C ATOM 945 O ARG A 61 18.498 -8.987 -20.357 1.00 72.25 O ATOM 946 CB ARG A 61 17.670 -6.476 -22.035 1.00 54.54 C ATOM 947 CG ARG A 61 17.149 -5.062 -22.239 1.00 33.24 C ATOM 948 CD ARG A 61 17.829 -4.077 -21.301 1.00 31.44 C ATOM 949 NE ARG A 61 18.169 -2.826 -21.973 1.00 73.30 N ATOM 950 CZ ARG A 61 19.218 -2.685 -22.776 1.00 13.34 C ATOM 951 NH1 ARG A 61 20.025 -3.711 -23.005 1.00 34.51 N ATOM 952 NH2 ARG A 61 19.461 -1.514 -23.351 1.00 71.22 N ATOM 0 H ARG A 61 18.021 -6.892 -19.154 1.00 41.25 H new ATOM 0 HA ARG A 61 15.879 -7.234 -21.123 1.00 73.10 H new ATOM 0 HB2 ARG A 61 18.734 -6.432 -21.804 1.00 54.54 H new ATOM 0 HB3 ARG A 61 17.569 -7.029 -22.969 1.00 54.54 H new ATOM 0 HG2 ARG A 61 17.316 -4.757 -23.272 1.00 33.24 H new ATOM 0 HG3 ARG A 61 16.072 -5.042 -22.071 1.00 33.24 H new ATOM 0 HD2 ARG A 61 17.172 -3.868 -20.457 1.00 31.44 H new ATOM 0 HD3 ARG A 61 18.735 -4.529 -20.896 1.00 31.44 H new ATOM 0 HE ARG A 61 17.568 -2.016 -21.817 1.00 73.30 H new ATOM 0 HH11 ARG A 61 19.842 -4.612 -22.564 1.00 34.51 H new ATOM 0 HH12 ARG A 61 20.829 -3.599 -23.622 1.00 34.51 H new ATOM 0 HH21 ARG A 61 18.842 -0.722 -23.176 1.00 71.22 H new ATOM 0 HH22 ARG A 61 20.266 -1.406 -23.967 1.00 71.22 H new ATOM 966 N ASP A 62 16.635 -9.582 -21.471 1.00 4.24 N ATOM 967 CA ASP A 62 16.980 -10.998 -21.511 1.00 35.43 C ATOM 968 C ASP A 62 17.278 -11.445 -22.938 1.00 45.25 C ATOM 969 O ASP A 62 17.256 -10.639 -23.869 1.00 3.22 O ATOM 970 CB ASP A 62 15.842 -11.838 -20.928 1.00 73.22 C ATOM 971 CG ASP A 62 16.343 -13.083 -20.224 1.00 22.52 C ATOM 972 OD1 ASP A 62 16.972 -12.947 -19.154 1.00 11.33 O ATOM 973 OD2 ASP A 62 16.108 -14.195 -20.743 1.00 12.20 O ATOM 0 H ASP A 62 15.748 -9.351 -21.918 1.00 4.24 H new ATOM 0 HA ASP A 62 17.876 -11.145 -20.909 1.00 35.43 H new ATOM 0 HB2 ASP A 62 15.270 -11.232 -20.225 1.00 73.22 H new ATOM 0 HB3 ASP A 62 15.160 -12.126 -21.728 1.00 73.22 H new ATOM 978 N ARG A 63 17.559 -12.733 -23.104 1.00 31.33 N ATOM 979 CA ARG A 63 17.865 -13.286 -24.418 1.00 34.34 C ATOM 980 C ARG A 63 17.292 -14.693 -24.562 1.00 25.52 C ATOM 981 O ARG A 63 17.609 -15.409 -25.511 1.00 42.54 O ATOM 982 CB ARG A 63 19.377 -13.314 -24.643 1.00 44.34 C ATOM 983 CG ARG A 63 20.158 -13.885 -23.471 1.00 70.10 C ATOM 984 CD ARG A 63 21.656 -13.705 -23.659 1.00 3.04 C ATOM 985 NE ARG A 63 22.326 -14.967 -23.960 1.00 73.43 N ATOM 986 CZ ARG A 63 23.569 -15.048 -24.420 1.00 63.22 C ATOM 987 NH1 ARG A 63 24.275 -13.945 -24.630 1.00 21.52 N ATOM 988 NH2 ARG A 63 24.110 -16.234 -24.671 1.00 55.10 N ATOM 0 H ARG A 63 17.581 -13.414 -22.345 1.00 31.33 H new ATOM 0 HA ARG A 63 17.405 -12.646 -25.171 1.00 34.34 H new ATOM 0 HB2 ARG A 63 19.592 -13.904 -25.534 1.00 44.34 H new ATOM 0 HB3 ARG A 63 19.725 -12.300 -24.841 1.00 44.34 H new ATOM 0 HG2 ARG A 63 19.844 -13.394 -22.550 1.00 70.10 H new ATOM 0 HG3 ARG A 63 19.929 -14.945 -23.361 1.00 70.10 H new ATOM 0 HD2 ARG A 63 21.837 -12.997 -24.467 1.00 3.04 H new ATOM 0 HD3 ARG A 63 22.085 -13.273 -22.755 1.00 3.04 H new ATOM 0 HE ARG A 63 21.811 -15.834 -23.809 1.00 73.43 H new ATOM 0 HH11 ARG A 63 23.863 -13.032 -24.438 1.00 21.52 H new ATOM 0 HH12 ARG A 63 25.230 -14.010 -24.983 1.00 21.52 H new ATOM 0 HH21 ARG A 63 23.571 -17.085 -24.511 1.00 55.10 H new ATOM 0 HH22 ARG A 63 25.065 -16.294 -25.024 1.00 55.10 H new ATOM 1002 N ASN A 64 16.448 -15.084 -23.612 1.00 45.31 N ATOM 1003 CA ASN A 64 15.833 -16.406 -23.633 1.00 11.33 C ATOM 1004 C ASN A 64 14.316 -16.301 -23.510 1.00 32.34 C ATOM 1005 O ASN A 64 13.627 -17.305 -23.327 1.00 42.31 O ATOM 1006 CB ASN A 64 16.390 -17.268 -22.498 1.00 73.22 C ATOM 1007 CG ASN A 64 16.023 -16.729 -21.129 1.00 20.31 C ATOM 1008 OD1 ASN A 64 14.858 -16.443 -20.854 1.00 33.43 O ATOM 1009 ND2 ASN A 64 17.020 -16.588 -20.263 1.00 34.04 N ATOM 0 H ASN A 64 16.175 -14.504 -22.819 1.00 45.31 H new ATOM 0 HA ASN A 64 16.071 -16.876 -24.587 1.00 11.33 H new ATOM 0 HB2 ASN A 64 16.011 -18.285 -22.598 1.00 73.22 H new ATOM 0 HB3 ASN A 64 17.475 -17.322 -22.585 1.00 73.22 H new ATOM 0 HD21 ASN A 64 16.835 -16.230 -19.326 1.00 34.04 H new ATOM 0 HD22 ASN A 64 17.971 -16.838 -20.535 1.00 34.04 H new ATOM 1016 N ALA A 65 13.802 -15.080 -23.612 1.00 0.14 N ATOM 1017 CA ALA A 65 12.367 -14.844 -23.514 1.00 72.35 C ATOM 1018 C ALA A 65 11.731 -14.748 -24.897 1.00 65.44 C ATOM 1019 O ALA A 65 11.820 -13.716 -25.561 1.00 70.02 O ATOM 1020 CB ALA A 65 12.093 -13.578 -22.717 1.00 34.14 C ATOM 0 H ALA A 65 14.358 -14.238 -23.763 1.00 0.14 H new ATOM 0 HA ALA A 65 11.920 -15.691 -22.994 1.00 72.35 H new ATOM 0 HB1 ALA A 65 11.017 -13.415 -22.652 1.00 34.14 H new ATOM 0 HB2 ALA A 65 12.505 -13.683 -21.713 1.00 34.14 H new ATOM 0 HB3 ALA A 65 12.560 -12.727 -23.213 1.00 34.14 H new ATOM 1026 N ALA A 66 11.092 -15.832 -25.326 1.00 15.51 N ATOM 1027 CA ALA A 66 10.440 -15.868 -26.629 1.00 64.54 C ATOM 1028 C ALA A 66 8.935 -15.666 -26.497 1.00 12.21 C ATOM 1029 O ALA A 66 8.177 -16.629 -26.369 1.00 42.43 O ATOM 1030 CB ALA A 66 10.738 -17.185 -27.331 1.00 31.41 C ATOM 0 H ALA A 66 11.012 -16.696 -24.790 1.00 15.51 H new ATOM 0 HA ALA A 66 10.838 -15.050 -27.229 1.00 64.54 H new ATOM 0 HB1 ALA A 66 10.245 -17.199 -28.303 1.00 31.41 H new ATOM 0 HB2 ALA A 66 11.814 -17.289 -27.468 1.00 31.41 H new ATOM 0 HB3 ALA A 66 10.368 -18.012 -26.725 1.00 31.41 H new ATOM 1036 N LEU A 67 8.507 -14.409 -26.527 1.00 50.53 N ATOM 1037 CA LEU A 67 7.091 -14.079 -26.410 1.00 34.32 C ATOM 1038 C LEU A 67 6.695 -13.009 -27.422 1.00 12.45 C ATOM 1039 O LEU A 67 7.548 -12.421 -28.086 1.00 44.03 O ATOM 1040 CB LEU A 67 6.774 -13.600 -24.992 1.00 42.52 C ATOM 1041 CG LEU A 67 7.185 -12.164 -24.662 1.00 22.20 C ATOM 1042 CD1 LEU A 67 8.589 -11.880 -25.172 1.00 63.24 C ATOM 1043 CD2 LEU A 67 6.191 -11.175 -25.253 1.00 32.43 C ATOM 0 H LEU A 67 9.121 -13.601 -26.631 1.00 50.53 H new ATOM 0 HA LEU A 67 6.515 -14.980 -26.619 1.00 34.32 H new ATOM 0 HB2 LEU A 67 5.701 -13.696 -24.829 1.00 42.52 H new ATOM 0 HB3 LEU A 67 7.265 -14.269 -24.285 1.00 42.52 H new ATOM 0 HG LEU A 67 7.183 -12.046 -23.578 1.00 22.20 H new ATOM 0 HD11 LEU A 67 8.864 -10.854 -24.928 1.00 63.24 H new ATOM 0 HD12 LEU A 67 9.293 -12.566 -24.701 1.00 63.24 H new ATOM 0 HD13 LEU A 67 8.618 -12.016 -26.253 1.00 63.24 H new ATOM 0 HD21 LEU A 67 6.500 -10.159 -25.008 1.00 32.43 H new ATOM 0 HD22 LEU A 67 6.160 -11.294 -26.336 1.00 32.43 H new ATOM 0 HD23 LEU A 67 5.200 -11.363 -24.839 1.00 32.43 H new ATOM 1055 N LYS A 68 5.395 -12.758 -27.532 1.00 14.02 N ATOM 1056 CA LYS A 68 4.884 -11.755 -28.459 1.00 61.43 C ATOM 1057 C LYS A 68 3.529 -11.228 -27.998 1.00 43.54 C ATOM 1058 O LYS A 68 2.794 -11.914 -27.288 1.00 25.21 O ATOM 1059 CB LYS A 68 4.761 -12.347 -29.865 1.00 63.23 C ATOM 1060 CG LYS A 68 3.966 -13.640 -29.914 1.00 33.24 C ATOM 1061 CD LYS A 68 4.856 -14.852 -29.694 1.00 44.50 C ATOM 1062 CE LYS A 68 4.156 -16.139 -30.100 1.00 62.21 C ATOM 1063 NZ LYS A 68 5.004 -17.336 -29.844 1.00 20.33 N ATOM 0 H LYS A 68 4.675 -13.236 -26.990 1.00 14.02 H new ATOM 0 HA LYS A 68 5.589 -10.924 -28.481 1.00 61.43 H new ATOM 0 HB2 LYS A 68 4.287 -11.614 -30.518 1.00 63.23 H new ATOM 0 HB3 LYS A 68 5.760 -12.529 -30.262 1.00 63.23 H new ATOM 0 HG2 LYS A 68 3.186 -13.617 -29.153 1.00 33.24 H new ATOM 0 HG3 LYS A 68 3.467 -13.725 -30.879 1.00 33.24 H new ATOM 0 HD2 LYS A 68 5.775 -14.739 -30.270 1.00 44.50 H new ATOM 0 HD3 LYS A 68 5.143 -14.908 -28.644 1.00 44.50 H new ATOM 0 HE2 LYS A 68 3.220 -16.233 -29.549 1.00 62.21 H new ATOM 0 HE3 LYS A 68 3.900 -16.095 -31.159 1.00 62.21 H new ATOM 0 HZ1 LYS A 68 4.491 -18.193 -30.134 1.00 20.33 H new ATOM 0 HZ2 LYS A 68 5.886 -17.259 -30.389 1.00 20.33 H new ATOM 0 HZ3 LYS A 68 5.227 -17.393 -28.830 1.00 20.33 H new ATOM 1077 N ILE A 69 3.205 -10.006 -28.408 1.00 40.11 N ATOM 1078 CA ILE A 69 1.937 -9.388 -28.039 1.00 24.32 C ATOM 1079 C ILE A 69 0.837 -10.435 -27.895 1.00 5.52 C ATOM 1080 O ILE A 69 0.465 -11.096 -28.863 1.00 13.21 O ATOM 1081 CB ILE A 69 1.499 -8.338 -29.077 1.00 21.41 C ATOM 1082 CG1 ILE A 69 2.531 -7.212 -29.162 1.00 11.31 C ATOM 1083 CG2 ILE A 69 0.128 -7.783 -28.722 1.00 1.21 C ATOM 1084 CD1 ILE A 69 2.477 -6.253 -27.993 1.00 75.20 C ATOM 0 H ILE A 69 3.803 -9.425 -28.996 1.00 40.11 H new ATOM 0 HA ILE A 69 2.093 -8.894 -27.080 1.00 24.32 H new ATOM 0 HB ILE A 69 1.433 -8.818 -30.053 1.00 21.41 H new ATOM 0 HG12 ILE A 69 3.528 -7.648 -29.218 1.00 11.31 H new ATOM 0 HG13 ILE A 69 2.374 -6.655 -30.086 1.00 11.31 H new ATOM 0 HG21 ILE A 69 -0.168 -7.042 -29.465 1.00 1.21 H new ATOM 0 HG22 ILE A 69 -0.600 -8.594 -28.708 1.00 1.21 H new ATOM 0 HG23 ILE A 69 0.169 -7.315 -27.739 1.00 1.21 H new ATOM 0 HD11 ILE A 69 3.236 -5.481 -28.120 1.00 75.20 H new ATOM 0 HD12 ILE A 69 1.492 -5.789 -27.948 1.00 75.20 H new ATOM 0 HD13 ILE A 69 2.664 -6.797 -27.067 1.00 75.20 H new ATOM 1096 N GLY A 70 0.320 -10.578 -26.678 1.00 51.14 N ATOM 1097 CA GLY A 70 -0.734 -11.544 -26.430 1.00 20.11 C ATOM 1098 C GLY A 70 -0.391 -12.499 -25.303 1.00 55.32 C ATOM 1099 O GLY A 70 -1.278 -13.118 -24.715 1.00 24.43 O ATOM 0 H GLY A 70 0.612 -10.043 -25.860 1.00 51.14 H new ATOM 0 HA2 GLY A 70 -1.656 -11.017 -26.187 1.00 20.11 H new ATOM 0 HA3 GLY A 70 -0.922 -12.113 -27.340 1.00 20.11 H new ATOM 1103 N ASP A 71 0.897 -12.619 -25.003 1.00 50.12 N ATOM 1104 CA ASP A 71 1.355 -13.506 -23.940 1.00 11.42 C ATOM 1105 C ASP A 71 1.054 -12.910 -22.568 1.00 54.11 C ATOM 1106 O ASP A 71 0.394 -11.876 -22.459 1.00 72.13 O ATOM 1107 CB ASP A 71 2.855 -13.769 -24.077 1.00 22.01 C ATOM 1108 CG ASP A 71 3.154 -15.166 -24.584 1.00 72.12 C ATOM 1109 OD1 ASP A 71 2.221 -15.827 -25.087 1.00 71.12 O ATOM 1110 OD2 ASP A 71 4.321 -15.598 -24.479 1.00 75.32 O ATOM 0 H ASP A 71 1.643 -12.113 -25.481 1.00 50.12 H new ATOM 0 HA ASP A 71 0.819 -14.450 -24.032 1.00 11.42 H new ATOM 0 HB2 ASP A 71 3.288 -13.038 -24.759 1.00 22.01 H new ATOM 0 HB3 ASP A 71 3.336 -13.626 -23.109 1.00 22.01 H new ATOM 1115 N LYS A 72 1.541 -13.569 -21.522 1.00 74.45 N ATOM 1116 CA LYS A 72 1.325 -13.106 -20.157 1.00 35.31 C ATOM 1117 C LYS A 72 2.492 -13.500 -19.258 1.00 31.44 C ATOM 1118 O LYS A 72 3.251 -14.416 -19.576 1.00 43.34 O ATOM 1119 CB LYS A 72 0.021 -13.684 -19.601 1.00 10.22 C ATOM 1120 CG LYS A 72 -1.162 -12.738 -19.717 1.00 3.23 C ATOM 1121 CD LYS A 72 -2.445 -13.486 -20.038 1.00 2.25 C ATOM 1122 CE LYS A 72 -3.056 -13.008 -21.346 1.00 14.04 C ATOM 1123 NZ LYS A 72 -4.265 -13.796 -21.713 1.00 70.34 N ATOM 0 H LYS A 72 2.089 -14.427 -21.594 1.00 74.45 H new ATOM 0 HA LYS A 72 1.255 -12.018 -20.175 1.00 35.31 H new ATOM 0 HB2 LYS A 72 -0.211 -14.609 -20.129 1.00 10.22 H new ATOM 0 HB3 LYS A 72 0.166 -13.944 -18.552 1.00 10.22 H new ATOM 0 HG2 LYS A 72 -1.283 -12.190 -18.783 1.00 3.23 H new ATOM 0 HG3 LYS A 72 -0.965 -12.001 -20.496 1.00 3.23 H new ATOM 0 HD2 LYS A 72 -2.239 -14.554 -20.101 1.00 2.25 H new ATOM 0 HD3 LYS A 72 -3.161 -13.347 -19.228 1.00 2.25 H new ATOM 0 HE2 LYS A 72 -3.322 -11.954 -21.259 1.00 14.04 H new ATOM 0 HE3 LYS A 72 -2.316 -13.086 -22.143 1.00 14.04 H new ATOM 0 HZ1 LYS A 72 -4.652 -13.440 -22.610 1.00 70.34 H new ATOM 0 HZ2 LYS A 72 -4.007 -14.798 -21.821 1.00 70.34 H new ATOM 0 HZ3 LYS A 72 -4.981 -13.701 -20.965 1.00 70.34 H new ATOM 1137 N ILE A 73 2.628 -12.805 -18.133 1.00 73.25 N ATOM 1138 CA ILE A 73 3.701 -13.085 -17.188 1.00 31.13 C ATOM 1139 C ILE A 73 3.175 -13.130 -15.757 1.00 41.01 C ATOM 1140 O ILE A 73 2.227 -12.425 -15.411 1.00 10.14 O ATOM 1141 CB ILE A 73 4.820 -12.031 -17.278 1.00 64.35 C ATOM 1142 CG1 ILE A 73 5.350 -11.941 -18.711 1.00 3.51 C ATOM 1143 CG2 ILE A 73 5.946 -12.369 -16.312 1.00 74.40 C ATOM 1144 CD1 ILE A 73 5.793 -10.549 -19.104 1.00 52.44 C ATOM 0 H ILE A 73 2.008 -12.044 -17.854 1.00 73.25 H new ATOM 0 HA ILE A 73 4.109 -14.060 -17.454 1.00 31.13 H new ATOM 0 HB ILE A 73 4.408 -11.061 -17.000 1.00 64.35 H new ATOM 0 HG12 ILE A 73 6.190 -12.626 -18.823 1.00 3.51 H new ATOM 0 HG13 ILE A 73 4.573 -12.274 -19.399 1.00 3.51 H new ATOM 0 HG21 ILE A 73 6.729 -11.615 -16.388 1.00 74.40 H new ATOM 0 HG22 ILE A 73 5.558 -12.388 -15.294 1.00 74.40 H new ATOM 0 HG23 ILE A 73 6.359 -13.346 -16.562 1.00 74.40 H new ATOM 0 HD11 ILE A 73 6.157 -10.559 -20.131 1.00 52.44 H new ATOM 0 HD12 ILE A 73 4.950 -9.863 -19.024 1.00 52.44 H new ATOM 0 HD13 ILE A 73 6.592 -10.220 -18.440 1.00 52.44 H new ATOM 1156 N TYR A 74 3.798 -13.962 -14.930 1.00 11.13 N ATOM 1157 CA TYR A 74 3.393 -14.099 -13.536 1.00 34.41 C ATOM 1158 C TYR A 74 4.593 -14.412 -12.648 1.00 20.22 C ATOM 1159 O TYR A 74 5.106 -15.532 -12.648 1.00 54.41 O ATOM 1160 CB TYR A 74 2.340 -15.200 -13.395 1.00 54.13 C ATOM 1161 CG TYR A 74 1.440 -15.335 -14.603 1.00 64.53 C ATOM 1162 CD1 TYR A 74 1.798 -16.147 -15.673 1.00 10.12 C ATOM 1163 CD2 TYR A 74 0.232 -14.653 -14.674 1.00 43.44 C ATOM 1164 CE1 TYR A 74 0.980 -16.273 -16.779 1.00 12.04 C ATOM 1165 CE2 TYR A 74 -0.593 -14.774 -15.776 1.00 1.23 C ATOM 1166 CZ TYR A 74 -0.215 -15.585 -16.825 1.00 44.33 C ATOM 1167 OH TYR A 74 -1.033 -15.709 -17.925 1.00 11.35 O ATOM 0 H TYR A 74 4.585 -14.552 -15.201 1.00 11.13 H new ATOM 0 HA TYR A 74 2.963 -13.150 -13.214 1.00 34.41 H new ATOM 0 HB2 TYR A 74 2.842 -16.151 -13.218 1.00 54.13 H new ATOM 0 HB3 TYR A 74 1.727 -14.995 -12.517 1.00 54.13 H new ATOM 0 HD1 TYR A 74 2.732 -16.689 -15.639 1.00 10.12 H new ATOM 0 HD2 TYR A 74 -0.068 -14.017 -13.854 1.00 43.44 H new ATOM 0 HE1 TYR A 74 1.274 -16.906 -17.603 1.00 12.04 H new ATOM 0 HE2 TYR A 74 -1.529 -14.236 -15.815 1.00 1.23 H new ATOM 0 HH TYR A 74 -1.836 -15.161 -17.799 1.00 11.35 H new ATOM 1177 N PHE A 75 5.036 -13.414 -11.890 1.00 63.25 N ATOM 1178 CA PHE A 75 6.177 -13.581 -10.997 1.00 13.21 C ATOM 1179 C PHE A 75 6.232 -12.454 -9.969 1.00 74.23 C ATOM 1180 O PHE A 75 5.229 -11.789 -9.708 1.00 22.45 O ATOM 1181 CB PHE A 75 7.479 -13.618 -11.799 1.00 60.42 C ATOM 1182 CG PHE A 75 7.930 -12.267 -12.273 1.00 44.51 C ATOM 1183 CD1 PHE A 75 7.130 -11.510 -13.114 1.00 44.02 C ATOM 1184 CD2 PHE A 75 9.154 -11.752 -11.877 1.00 64.01 C ATOM 1185 CE1 PHE A 75 7.544 -10.266 -13.552 1.00 72.13 C ATOM 1186 CE2 PHE A 75 9.573 -10.508 -12.312 1.00 30.44 C ATOM 1187 CZ PHE A 75 8.766 -9.764 -13.150 1.00 30.15 C ATOM 0 H PHE A 75 4.622 -12.482 -11.876 1.00 63.25 H new ATOM 0 HA PHE A 75 6.057 -14.527 -10.468 1.00 13.21 H new ATOM 0 HB2 PHE A 75 8.263 -14.058 -11.183 1.00 60.42 H new ATOM 0 HB3 PHE A 75 7.346 -14.271 -12.662 1.00 60.42 H new ATOM 0 HD1 PHE A 75 6.172 -11.896 -13.431 1.00 44.02 H new ATOM 0 HD2 PHE A 75 9.788 -12.329 -11.221 1.00 64.01 H new ATOM 0 HE1 PHE A 75 6.912 -9.687 -14.209 1.00 72.13 H new ATOM 0 HE2 PHE A 75 10.530 -10.119 -11.997 1.00 30.44 H new ATOM 0 HZ PHE A 75 9.090 -8.792 -13.490 1.00 30.15 H new ATOM 1197 N TRP A 76 7.409 -12.247 -9.391 1.00 13.25 N ATOM 1198 CA TRP A 76 7.595 -11.201 -8.391 1.00 31.22 C ATOM 1199 C TRP A 76 8.987 -10.589 -8.496 1.00 63.12 C ATOM 1200 O TRP A 76 9.857 -11.114 -9.192 1.00 70.42 O ATOM 1201 CB TRP A 76 7.377 -11.766 -6.986 1.00 5.20 C ATOM 1202 CG TRP A 76 8.106 -13.053 -6.744 1.00 32.21 C ATOM 1203 CD1 TRP A 76 7.919 -14.236 -7.400 1.00 63.21 C ATOM 1204 CD2 TRP A 76 9.135 -13.287 -5.776 1.00 52.21 C ATOM 1205 NE1 TRP A 76 8.770 -15.191 -6.899 1.00 24.34 N ATOM 1206 CE2 TRP A 76 9.527 -14.634 -5.902 1.00 41.21 C ATOM 1207 CE3 TRP A 76 9.764 -12.489 -4.817 1.00 43.11 C ATOM 1208 CZ2 TRP A 76 10.519 -15.198 -5.104 1.00 13.32 C ATOM 1209 CZ3 TRP A 76 10.748 -13.050 -4.025 1.00 61.24 C ATOM 1210 CH2 TRP A 76 11.118 -14.394 -4.173 1.00 2.50 C ATOM 0 H TRP A 76 8.249 -12.789 -9.597 1.00 13.25 H new ATOM 0 HA TRP A 76 6.860 -10.418 -8.578 1.00 31.22 H new ATOM 0 HB2 TRP A 76 7.702 -11.029 -6.251 1.00 5.20 H new ATOM 0 HB3 TRP A 76 6.310 -11.925 -6.828 1.00 5.20 H new ATOM 0 HD1 TRP A 76 7.207 -14.397 -8.196 1.00 63.21 H new ATOM 0 HE1 TRP A 76 8.829 -16.158 -7.218 1.00 24.34 H new ATOM 0 HE3 TRP A 76 9.486 -11.452 -4.697 1.00 43.11 H new ATOM 0 HZ2 TRP A 76 10.805 -16.233 -5.216 1.00 13.32 H new ATOM 0 HZ3 TRP A 76 11.240 -12.443 -3.280 1.00 61.24 H new ATOM 0 HH2 TRP A 76 11.891 -14.803 -3.540 1.00 2.50 H new ATOM 1221 N THR A 77 9.194 -9.475 -7.801 1.00 13.12 N ATOM 1222 CA THR A 77 10.481 -8.791 -7.817 1.00 55.03 C ATOM 1223 C THR A 77 10.847 -8.275 -6.430 1.00 54.35 C ATOM 1224 O THR A 77 9.974 -7.902 -5.646 1.00 23.25 O ATOM 1225 CB THR A 77 10.477 -7.611 -8.807 1.00 60.04 C ATOM 1226 OG1 THR A 77 9.203 -6.958 -8.787 1.00 73.32 O ATOM 1227 CG2 THR A 77 10.786 -8.088 -10.219 1.00 12.14 C ATOM 0 H THR A 77 8.486 -9.027 -7.219 1.00 13.12 H new ATOM 0 HA THR A 77 11.224 -9.522 -8.137 1.00 55.03 H new ATOM 0 HB THR A 77 11.250 -6.906 -8.501 1.00 60.04 H new ATOM 0 HG1 THR A 77 9.210 -6.208 -9.418 1.00 73.32 H new ATOM 0 HG21 THR A 77 10.778 -7.237 -10.900 1.00 12.14 H new ATOM 0 HG22 THR A 77 11.769 -8.558 -10.237 1.00 12.14 H new ATOM 0 HG23 THR A 77 10.033 -8.811 -10.532 1.00 12.14 H new ATOM 1235 N PHE A 78 12.142 -8.254 -6.135 1.00 20.43 N ATOM 1236 CA PHE A 78 12.624 -7.783 -4.841 1.00 75.53 C ATOM 1237 C PHE A 78 13.415 -6.488 -4.994 1.00 65.25 C ATOM 1238 O PHE A 78 14.174 -6.320 -5.949 1.00 61.34 O ATOM 1239 CB PHE A 78 13.495 -8.852 -4.178 1.00 1.11 C ATOM 1240 CG PHE A 78 13.236 -9.009 -2.707 1.00 12.42 C ATOM 1241 CD1 PHE A 78 12.092 -9.647 -2.256 1.00 22.54 C ATOM 1242 CD2 PHE A 78 14.136 -8.516 -1.775 1.00 75.31 C ATOM 1243 CE1 PHE A 78 11.851 -9.794 -0.903 1.00 14.45 C ATOM 1244 CE2 PHE A 78 13.900 -8.660 -0.421 1.00 14.11 C ATOM 1245 CZ PHE A 78 12.755 -9.298 0.016 1.00 62.20 C ATOM 0 H PHE A 78 12.877 -8.557 -6.774 1.00 20.43 H new ATOM 0 HA PHE A 78 11.759 -7.586 -4.208 1.00 75.53 H new ATOM 0 HB2 PHE A 78 13.323 -9.808 -4.673 1.00 1.11 H new ATOM 0 HB3 PHE A 78 14.544 -8.599 -4.329 1.00 1.11 H new ATOM 0 HD1 PHE A 78 11.380 -10.034 -2.970 1.00 22.54 H new ATOM 0 HD2 PHE A 78 15.031 -8.014 -2.111 1.00 75.31 H new ATOM 0 HE1 PHE A 78 10.957 -10.296 -0.565 1.00 14.45 H new ATOM 0 HE2 PHE A 78 14.610 -8.274 0.295 1.00 14.11 H new ATOM 0 HZ PHE A 78 12.567 -9.409 1.074 1.00 62.20 H new ATOM 1255 N VAL A 79 13.233 -5.574 -4.047 1.00 33.23 N ATOM 1256 CA VAL A 79 13.930 -4.294 -4.075 1.00 14.22 C ATOM 1257 C VAL A 79 14.389 -3.888 -2.679 1.00 41.52 C ATOM 1258 O VAL A 79 14.024 -4.518 -1.687 1.00 23.35 O ATOM 1259 CB VAL A 79 13.036 -3.181 -4.653 1.00 53.14 C ATOM 1260 CG1 VAL A 79 13.585 -2.693 -5.985 1.00 73.14 C ATOM 1261 CG2 VAL A 79 11.604 -3.673 -4.805 1.00 43.14 C ATOM 0 H VAL A 79 12.608 -5.696 -3.250 1.00 33.23 H new ATOM 0 HA VAL A 79 14.801 -4.421 -4.718 1.00 14.22 H new ATOM 0 HB VAL A 79 13.036 -2.341 -3.958 1.00 53.14 H new ATOM 0 HG11 VAL A 79 12.940 -1.907 -6.378 1.00 73.14 H new ATOM 0 HG12 VAL A 79 14.591 -2.299 -5.842 1.00 73.14 H new ATOM 0 HG13 VAL A 79 13.617 -3.523 -6.691 1.00 73.14 H new ATOM 0 HG21 VAL A 79 10.986 -2.874 -5.215 1.00 43.14 H new ATOM 0 HG22 VAL A 79 11.583 -4.529 -5.479 1.00 43.14 H new ATOM 0 HG23 VAL A 79 11.215 -3.969 -3.830 1.00 43.14 H new ATOM 1271 N ILE A 80 15.191 -2.830 -2.611 1.00 20.32 N ATOM 1272 CA ILE A 80 15.699 -2.339 -1.336 1.00 41.31 C ATOM 1273 C ILE A 80 15.938 -0.833 -1.383 1.00 61.43 C ATOM 1274 O ILE A 80 16.986 -0.374 -1.839 1.00 14.45 O ATOM 1275 CB ILE A 80 17.011 -3.043 -0.944 1.00 21.45 C ATOM 1276 CG1 ILE A 80 16.771 -4.541 -0.742 1.00 14.11 C ATOM 1277 CG2 ILE A 80 17.590 -2.420 0.318 1.00 44.15 C ATOM 1278 CD1 ILE A 80 18.044 -5.341 -0.579 1.00 0.10 C ATOM 0 H ILE A 80 15.502 -2.297 -3.423 1.00 20.32 H new ATOM 0 HA ILE A 80 14.939 -2.561 -0.587 1.00 41.31 H new ATOM 0 HB ILE A 80 17.730 -2.915 -1.753 1.00 21.45 H new ATOM 0 HG12 ILE A 80 16.146 -4.685 0.139 1.00 14.11 H new ATOM 0 HG13 ILE A 80 16.214 -4.930 -1.595 1.00 14.11 H new ATOM 0 HG21 ILE A 80 18.517 -2.928 0.582 1.00 44.15 H new ATOM 0 HG22 ILE A 80 17.793 -1.364 0.142 1.00 44.15 H new ATOM 0 HG23 ILE A 80 16.875 -2.521 1.135 1.00 44.15 H new ATOM 0 HD11 ILE A 80 17.797 -6.394 -0.440 1.00 0.10 H new ATOM 0 HD12 ILE A 80 18.662 -5.228 -1.470 1.00 0.10 H new ATOM 0 HD13 ILE A 80 18.592 -4.979 0.291 1.00 0.10 H new ATOM 1290 N LYS A 81 14.960 -0.069 -0.908 1.00 63.52 N ATOM 1291 CA LYS A 81 15.064 1.385 -0.892 1.00 72.24 C ATOM 1292 C LYS A 81 15.124 1.910 0.538 1.00 2.53 C ATOM 1293 O LYS A 81 14.367 1.471 1.404 1.00 71.24 O ATOM 1294 CB LYS A 81 13.875 2.009 -1.627 1.00 2.33 C ATOM 1295 CG LYS A 81 13.741 3.506 -1.404 1.00 70.24 C ATOM 1296 CD LYS A 81 12.379 3.865 -0.834 1.00 41.04 C ATOM 1297 CE LYS A 81 12.335 5.311 -0.365 1.00 40.21 C ATOM 1298 NZ LYS A 81 11.698 6.203 -1.374 1.00 24.50 N ATOM 0 H LYS A 81 14.086 -0.433 -0.529 1.00 63.52 H new ATOM 0 HA LYS A 81 15.986 1.665 -1.402 1.00 72.24 H new ATOM 0 HB2 LYS A 81 13.977 1.817 -2.695 1.00 2.33 H new ATOM 0 HB3 LYS A 81 12.958 1.518 -1.301 1.00 2.33 H new ATOM 0 HG2 LYS A 81 14.522 3.845 -0.723 1.00 70.24 H new ATOM 0 HG3 LYS A 81 13.891 4.030 -2.348 1.00 70.24 H new ATOM 0 HD2 LYS A 81 11.612 3.704 -1.592 1.00 41.04 H new ATOM 0 HD3 LYS A 81 12.147 3.203 0.001 1.00 41.04 H new ATOM 0 HE2 LYS A 81 11.783 5.372 0.573 1.00 40.21 H new ATOM 0 HE3 LYS A 81 13.348 5.658 -0.162 1.00 40.21 H new ATOM 0 HZ1 LYS A 81 11.687 7.180 -1.017 1.00 24.50 H new ATOM 0 HZ2 LYS A 81 12.239 6.165 -2.262 1.00 24.50 H new ATOM 0 HZ3 LYS A 81 10.722 5.888 -1.549 1.00 24.50 H new ATOM 1312 N ASP A 82 16.028 2.854 0.779 1.00 31.23 N ATOM 1313 CA ASP A 82 16.185 3.441 2.105 1.00 50.42 C ATOM 1314 C ASP A 82 16.268 2.356 3.174 1.00 50.22 C ATOM 1315 O ASP A 82 15.808 2.543 4.299 1.00 34.12 O ATOM 1316 CB ASP A 82 15.021 4.386 2.409 1.00 60.15 C ATOM 1317 CG ASP A 82 15.462 5.622 3.168 1.00 54.25 C ATOM 1318 OD1 ASP A 82 15.935 5.477 4.314 1.00 64.35 O ATOM 1319 OD2 ASP A 82 15.332 6.735 2.616 1.00 53.22 O ATOM 0 H ASP A 82 16.663 3.229 0.074 1.00 31.23 H new ATOM 0 HA ASP A 82 17.116 4.008 2.116 1.00 50.42 H new ATOM 0 HB2 ASP A 82 14.547 4.687 1.474 1.00 60.15 H new ATOM 0 HB3 ASP A 82 14.268 3.855 2.991 1.00 60.15 H new ATOM 1324 N GLY A 83 16.858 1.221 2.813 1.00 71.42 N ATOM 1325 CA GLY A 83 16.989 0.122 3.752 1.00 63.23 C ATOM 1326 C GLY A 83 15.652 -0.340 4.295 1.00 14.51 C ATOM 1327 O GLY A 83 15.561 -0.802 5.433 1.00 4.03 O ATOM 0 H GLY A 83 17.248 1.043 1.887 1.00 71.42 H new ATOM 0 HA2 GLY A 83 17.486 -0.714 3.261 1.00 63.23 H new ATOM 0 HA3 GLY A 83 17.627 0.430 4.580 1.00 63.23 H new ATOM 1331 N LEU A 84 14.609 -0.213 3.482 1.00 40.13 N ATOM 1332 CA LEU A 84 13.268 -0.619 3.888 1.00 60.13 C ATOM 1333 C LEU A 84 12.961 -2.036 3.414 1.00 64.11 C ATOM 1334 O LEU A 84 12.634 -2.912 4.213 1.00 13.35 O ATOM 1335 CB LEU A 84 12.228 0.354 3.329 1.00 21.13 C ATOM 1336 CG LEU A 84 12.089 1.685 4.069 1.00 43.14 C ATOM 1337 CD1 LEU A 84 11.366 2.704 3.202 1.00 12.10 C ATOM 1338 CD2 LEU A 84 11.357 1.489 5.388 1.00 30.40 C ATOM 0 H LEU A 84 14.666 0.168 2.538 1.00 40.13 H new ATOM 0 HA LEU A 84 13.224 -0.602 4.977 1.00 60.13 H new ATOM 0 HB2 LEU A 84 12.478 0.564 2.289 1.00 21.13 H new ATOM 0 HB3 LEU A 84 11.258 -0.143 3.330 1.00 21.13 H new ATOM 0 HG LEU A 84 13.088 2.065 4.285 1.00 43.14 H new ATOM 0 HD11 LEU A 84 11.276 3.645 3.745 1.00 12.10 H new ATOM 0 HD12 LEU A 84 11.931 2.867 2.284 1.00 12.10 H new ATOM 0 HD13 LEU A 84 10.372 2.331 2.955 1.00 12.10 H new ATOM 0 HD21 LEU A 84 11.268 2.447 5.900 1.00 30.40 H new ATOM 0 HD22 LEU A 84 10.363 1.086 5.196 1.00 30.40 H new ATOM 0 HD23 LEU A 84 11.916 0.793 6.014 1.00 30.40 H new ATOM 1350 N GLY A 85 13.072 -2.255 2.107 1.00 43.20 N ATOM 1351 CA GLY A 85 12.806 -3.568 1.549 1.00 14.23 C ATOM 1352 C GLY A 85 11.392 -3.696 1.018 1.00 52.20 C ATOM 1353 O GLY A 85 10.427 -3.650 1.782 1.00 5.31 O ATOM 0 H GLY A 85 13.341 -1.546 1.425 1.00 43.20 H new ATOM 0 HA2 GLY A 85 13.513 -3.767 0.744 1.00 14.23 H new ATOM 0 HA3 GLY A 85 12.973 -4.326 2.315 1.00 14.23 H new ATOM 1357 N TYR A 86 11.267 -3.855 -0.295 1.00 22.22 N ATOM 1358 CA TYR A 86 9.960 -3.986 -0.928 1.00 44.13 C ATOM 1359 C TYR A 86 9.949 -5.146 -1.919 1.00 32.22 C ATOM 1360 O TYR A 86 10.991 -5.723 -2.228 1.00 63.24 O ATOM 1361 CB TYR A 86 9.585 -2.687 -1.643 1.00 14.21 C ATOM 1362 CG TYR A 86 9.375 -1.519 -0.706 1.00 35.03 C ATOM 1363 CD1 TYR A 86 8.139 -1.295 -0.110 1.00 5.03 C ATOM 1364 CD2 TYR A 86 10.410 -0.639 -0.417 1.00 24.31 C ATOM 1365 CE1 TYR A 86 7.943 -0.229 0.747 1.00 75.03 C ATOM 1366 CE2 TYR A 86 10.223 0.428 0.439 1.00 11.34 C ATOM 1367 CZ TYR A 86 8.987 0.629 1.018 1.00 4.45 C ATOM 1368 OH TYR A 86 8.796 1.693 1.871 1.00 62.31 O ATOM 0 H TYR A 86 12.055 -3.896 -0.942 1.00 22.22 H new ATOM 0 HA TYR A 86 9.225 -4.190 -0.149 1.00 44.13 H new ATOM 0 HB2 TYR A 86 10.371 -2.434 -2.355 1.00 14.21 H new ATOM 0 HB3 TYR A 86 8.673 -2.849 -2.218 1.00 14.21 H new ATOM 0 HD1 TYR A 86 7.319 -1.965 -0.320 1.00 5.03 H new ATOM 0 HD2 TYR A 86 11.378 -0.792 -0.870 1.00 24.31 H new ATOM 0 HE1 TYR A 86 6.977 -0.069 1.202 1.00 75.03 H new ATOM 0 HE2 TYR A 86 11.040 1.101 0.654 1.00 11.34 H new ATOM 0 HH TYR A 86 8.112 1.462 2.534 1.00 62.31 H new ATOM 1378 N ARG A 87 8.762 -5.482 -2.413 1.00 15.21 N ATOM 1379 CA ARG A 87 8.612 -6.573 -3.368 1.00 63.11 C ATOM 1380 C ARG A 87 7.199 -6.604 -3.942 1.00 13.12 C ATOM 1381 O ARG A 87 6.221 -6.426 -3.216 1.00 72.41 O ATOM 1382 CB ARG A 87 8.932 -7.911 -2.700 1.00 23.42 C ATOM 1383 CG ARG A 87 8.539 -9.119 -3.535 1.00 55.20 C ATOM 1384 CD ARG A 87 7.622 -10.055 -2.763 1.00 52.03 C ATOM 1385 NE ARG A 87 6.428 -9.371 -2.274 1.00 33.33 N ATOM 1386 CZ ARG A 87 5.424 -9.991 -1.662 1.00 65.35 C ATOM 1387 NH1 ARG A 87 5.472 -11.302 -1.466 1.00 54.35 N ATOM 1388 NH2 ARG A 87 4.371 -9.300 -1.245 1.00 64.14 N ATOM 0 H ARG A 87 7.890 -5.014 -2.167 1.00 15.21 H new ATOM 0 HA ARG A 87 9.313 -6.405 -4.185 1.00 63.11 H new ATOM 0 HB2 ARG A 87 10.001 -7.957 -2.491 1.00 23.42 H new ATOM 0 HB3 ARG A 87 8.417 -7.960 -1.740 1.00 23.42 H new ATOM 0 HG2 ARG A 87 8.039 -8.787 -4.445 1.00 55.20 H new ATOM 0 HG3 ARG A 87 9.435 -9.658 -3.842 1.00 55.20 H new ATOM 0 HD2 ARG A 87 7.327 -10.885 -3.405 1.00 52.03 H new ATOM 0 HD3 ARG A 87 8.166 -10.482 -1.920 1.00 52.03 H new ATOM 0 HE ARG A 87 6.361 -8.362 -2.409 1.00 33.33 H new ATOM 0 HH11 ARG A 87 6.280 -11.836 -1.785 1.00 54.35 H new ATOM 0 HH12 ARG A 87 4.701 -11.776 -0.996 1.00 54.35 H new ATOM 0 HH21 ARG A 87 4.331 -8.292 -1.394 1.00 64.14 H new ATOM 0 HH22 ARG A 87 3.601 -9.777 -0.776 1.00 64.14 H new ATOM 1402 N GLN A 88 7.100 -6.830 -5.248 1.00 5.31 N ATOM 1403 CA GLN A 88 5.807 -6.882 -5.918 1.00 72.34 C ATOM 1404 C GLN A 88 5.204 -8.280 -5.829 1.00 34.22 C ATOM 1405 O GLN A 88 5.925 -9.273 -5.731 1.00 70.11 O ATOM 1406 CB GLN A 88 5.951 -6.469 -7.384 1.00 61.21 C ATOM 1407 CG GLN A 88 4.684 -5.872 -7.976 1.00 23.44 C ATOM 1408 CD GLN A 88 4.601 -4.371 -7.783 1.00 22.05 C ATOM 1409 OE1 GLN A 88 4.641 -3.875 -6.656 1.00 63.21 O ATOM 1410 NE2 GLN A 88 4.485 -3.638 -8.884 1.00 11.24 N ATOM 0 H GLN A 88 7.900 -6.980 -5.863 1.00 5.31 H new ATOM 0 HA GLN A 88 5.138 -6.184 -5.415 1.00 72.34 H new ATOM 0 HB2 GLN A 88 6.759 -5.743 -7.470 1.00 61.21 H new ATOM 0 HB3 GLN A 88 6.241 -7.340 -7.971 1.00 61.21 H new ATOM 0 HG2 GLN A 88 4.642 -6.100 -9.041 1.00 23.44 H new ATOM 0 HG3 GLN A 88 3.815 -6.342 -7.515 1.00 23.44 H new ATOM 0 HE21 GLN A 88 4.456 -4.091 -9.797 1.00 11.24 H new ATOM 0 HE22 GLN A 88 4.425 -2.622 -8.816 1.00 11.24 H new ATOM 1419 N ASP A 89 3.877 -8.350 -5.862 1.00 65.12 N ATOM 1420 CA ASP A 89 3.177 -9.627 -5.785 1.00 51.24 C ATOM 1421 C ASP A 89 2.072 -9.704 -6.834 1.00 70.34 C ATOM 1422 O ASP A 89 2.025 -8.896 -7.761 1.00 34.32 O ATOM 1423 CB ASP A 89 2.586 -9.825 -4.389 1.00 21.43 C ATOM 1424 CG ASP A 89 1.119 -9.450 -4.322 1.00 73.42 C ATOM 1425 OD1 ASP A 89 0.804 -8.252 -4.480 1.00 44.14 O ATOM 1426 OD2 ASP A 89 0.284 -10.355 -4.113 1.00 23.43 O ATOM 0 H ASP A 89 3.265 -7.538 -5.942 1.00 65.12 H new ATOM 0 HA ASP A 89 3.897 -10.421 -5.982 1.00 51.24 H new ATOM 0 HB2 ASP A 89 2.705 -10.867 -4.092 1.00 21.43 H new ATOM 0 HB3 ASP A 89 3.145 -9.223 -3.672 1.00 21.43 H new ATOM 1431 N ASN A 90 1.186 -10.683 -6.682 1.00 12.01 N ATOM 1432 CA ASN A 90 0.082 -10.867 -7.617 1.00 70.11 C ATOM 1433 C ASN A 90 0.535 -11.651 -8.845 1.00 53.45 C ATOM 1434 O ASN A 90 -0.213 -12.465 -9.385 1.00 64.24 O ATOM 1435 CB ASN A 90 -0.484 -9.511 -8.043 1.00 74.24 C ATOM 1436 CG ASN A 90 -1.998 -9.522 -8.143 1.00 65.35 C ATOM 1437 OD1 ASN A 90 -2.661 -8.546 -7.794 1.00 0.02 O ATOM 1438 ND2 ASN A 90 -2.550 -10.630 -8.623 1.00 35.54 N ATOM 0 H ASN A 90 1.211 -11.361 -5.920 1.00 12.01 H new ATOM 0 HA ASN A 90 -0.699 -11.436 -7.112 1.00 70.11 H new ATOM 0 HB2 ASN A 90 -0.175 -8.750 -7.326 1.00 74.24 H new ATOM 0 HB3 ASN A 90 -0.061 -9.230 -9.008 1.00 74.24 H new ATOM 0 HD21 ASN A 90 -3.564 -10.696 -8.715 1.00 35.54 H new ATOM 0 HD22 ASN A 90 -1.960 -11.415 -8.900 1.00 35.54 H new ATOM 1445 N GLY A 91 1.765 -11.398 -9.282 1.00 22.15 N ATOM 1446 CA GLY A 91 2.297 -12.088 -10.442 1.00 51.35 C ATOM 1447 C GLY A 91 1.291 -12.182 -11.572 1.00 53.32 C ATOM 1448 O GLY A 91 0.646 -13.214 -11.753 1.00 65.30 O ATOM 0 H GLY A 91 2.402 -10.727 -8.853 1.00 22.15 H new ATOM 0 HA2 GLY A 91 3.187 -11.567 -10.794 1.00 51.35 H new ATOM 0 HA3 GLY A 91 2.609 -13.092 -10.153 1.00 51.35 H new ATOM 1452 N GLU A 92 1.155 -11.100 -12.333 1.00 74.10 N ATOM 1453 CA GLU A 92 0.217 -11.065 -13.449 1.00 61.34 C ATOM 1454 C GLU A 92 0.450 -9.832 -14.318 1.00 23.25 C ATOM 1455 O GLU A 92 0.234 -8.702 -13.880 1.00 32.22 O ATOM 1456 CB GLU A 92 -1.224 -11.075 -12.935 1.00 21.03 C ATOM 1457 CG GLU A 92 -2.264 -10.953 -14.035 1.00 72.44 C ATOM 1458 CD GLU A 92 -3.662 -10.721 -13.494 1.00 45.13 C ATOM 1459 OE1 GLU A 92 -4.004 -11.327 -12.457 1.00 41.04 O ATOM 1460 OE2 GLU A 92 -4.412 -9.934 -14.107 1.00 54.23 O ATOM 0 H GLU A 92 1.682 -10.237 -12.197 1.00 74.10 H new ATOM 0 HA GLU A 92 0.384 -11.954 -14.057 1.00 61.34 H new ATOM 0 HB2 GLU A 92 -1.398 -11.999 -12.384 1.00 21.03 H new ATOM 0 HB3 GLU A 92 -1.355 -10.254 -12.230 1.00 21.03 H new ATOM 0 HG2 GLU A 92 -1.993 -10.130 -14.696 1.00 72.44 H new ATOM 0 HG3 GLU A 92 -2.258 -11.861 -14.638 1.00 72.44 H new ATOM 1467 N TRP A 93 0.893 -10.058 -15.549 1.00 23.42 N ATOM 1468 CA TRP A 93 1.157 -8.966 -16.479 1.00 31.22 C ATOM 1469 C TRP A 93 0.956 -9.419 -17.921 1.00 10.41 C ATOM 1470 O TRP A 93 1.604 -10.358 -18.384 1.00 34.21 O ATOM 1471 CB TRP A 93 2.581 -8.441 -16.290 1.00 12.51 C ATOM 1472 CG TRP A 93 2.769 -7.680 -15.012 1.00 55.22 C ATOM 1473 CD1 TRP A 93 2.372 -6.398 -14.755 1.00 71.54 C ATOM 1474 CD2 TRP A 93 3.402 -8.153 -13.818 1.00 53.24 C ATOM 1475 NE1 TRP A 93 2.721 -6.046 -13.474 1.00 34.32 N ATOM 1476 CE2 TRP A 93 3.353 -7.105 -12.878 1.00 34.33 C ATOM 1477 CE3 TRP A 93 4.003 -9.360 -13.452 1.00 4.54 C ATOM 1478 CZ2 TRP A 93 3.884 -7.230 -11.597 1.00 34.23 C ATOM 1479 CZ3 TRP A 93 4.530 -9.482 -12.180 1.00 2.30 C ATOM 1480 CH2 TRP A 93 4.467 -8.423 -11.265 1.00 10.33 C ATOM 0 H TRP A 93 1.077 -10.987 -15.927 1.00 23.42 H new ATOM 0 HA TRP A 93 0.451 -8.163 -16.268 1.00 31.22 H new ATOM 0 HB2 TRP A 93 3.276 -9.281 -16.310 1.00 12.51 H new ATOM 0 HB3 TRP A 93 2.837 -7.795 -17.130 1.00 12.51 H new ATOM 0 HD1 TRP A 93 1.859 -5.756 -15.456 1.00 71.54 H new ATOM 0 HE1 TRP A 93 2.539 -5.142 -13.037 1.00 34.32 H new ATOM 0 HE3 TRP A 93 4.055 -10.182 -14.150 1.00 4.54 H new ATOM 0 HZ2 TRP A 93 3.838 -6.415 -10.890 1.00 34.23 H new ATOM 0 HZ3 TRP A 93 4.998 -10.410 -11.886 1.00 2.30 H new ATOM 0 HH2 TRP A 93 4.887 -8.550 -10.278 1.00 10.33 H new ATOM 1491 N THR A 94 0.054 -8.744 -18.628 1.00 64.42 N ATOM 1492 CA THR A 94 -0.232 -9.078 -20.018 1.00 31.14 C ATOM 1493 C THR A 94 0.620 -8.246 -20.970 1.00 33.43 C ATOM 1494 O THR A 94 0.752 -7.034 -20.802 1.00 43.01 O ATOM 1495 CB THR A 94 -1.719 -8.859 -20.353 1.00 15.32 C ATOM 1496 OG1 THR A 94 -2.533 -9.740 -19.571 1.00 11.15 O ATOM 1497 CG2 THR A 94 -1.982 -9.097 -21.832 1.00 63.41 C ATOM 0 H THR A 94 -0.490 -7.963 -18.261 1.00 64.42 H new ATOM 0 HA THR A 94 0.010 -10.133 -20.146 1.00 31.14 H new ATOM 0 HB THR A 94 -1.973 -7.826 -20.117 1.00 15.32 H new ATOM 0 HG1 THR A 94 -3.477 -9.593 -19.789 1.00 11.15 H new ATOM 0 HG21 THR A 94 -3.039 -8.936 -22.044 1.00 63.41 H new ATOM 0 HG22 THR A 94 -1.384 -8.404 -22.424 1.00 63.41 H new ATOM 0 HG23 THR A 94 -1.712 -10.121 -22.089 1.00 63.41 H new ATOM 1505 N VAL A 95 1.195 -8.905 -21.970 1.00 63.34 N ATOM 1506 CA VAL A 95 2.033 -8.226 -22.951 1.00 44.12 C ATOM 1507 C VAL A 95 1.228 -7.209 -23.752 1.00 1.55 C ATOM 1508 O VAL A 95 0.247 -7.557 -24.408 1.00 23.13 O ATOM 1509 CB VAL A 95 2.685 -9.228 -23.923 1.00 12.30 C ATOM 1510 CG1 VAL A 95 3.707 -8.528 -24.806 1.00 11.02 C ATOM 1511 CG2 VAL A 95 3.327 -10.374 -23.155 1.00 54.53 C ATOM 0 H VAL A 95 1.096 -9.909 -22.122 1.00 63.34 H new ATOM 0 HA VAL A 95 2.815 -7.709 -22.395 1.00 44.12 H new ATOM 0 HB VAL A 95 1.908 -9.642 -24.566 1.00 12.30 H new ATOM 0 HG11 VAL A 95 4.157 -9.252 -25.486 1.00 11.02 H new ATOM 0 HG12 VAL A 95 3.214 -7.746 -25.383 1.00 11.02 H new ATOM 0 HG13 VAL A 95 4.483 -8.084 -24.183 1.00 11.02 H new ATOM 0 HG21 VAL A 95 3.783 -11.072 -23.857 1.00 54.53 H new ATOM 0 HG22 VAL A 95 4.092 -9.980 -22.486 1.00 54.53 H new ATOM 0 HG23 VAL A 95 2.566 -10.892 -22.571 1.00 54.53 H new ATOM 1521 N GLU A 96 1.650 -5.949 -23.692 1.00 61.35 N ATOM 1522 CA GLU A 96 0.967 -4.881 -24.412 1.00 40.23 C ATOM 1523 C GLU A 96 1.957 -3.813 -24.869 1.00 11.13 C ATOM 1524 O GLU A 96 1.632 -2.627 -24.911 1.00 31.12 O ATOM 1525 CB GLU A 96 -0.111 -4.249 -23.529 1.00 42.32 C ATOM 1526 CG GLU A 96 -1.462 -4.935 -23.633 1.00 33.45 C ATOM 1527 CD GLU A 96 -2.551 -4.008 -24.137 1.00 1.03 C ATOM 1528 OE1 GLU A 96 -2.635 -2.865 -23.640 1.00 63.42 O ATOM 1529 OE2 GLU A 96 -3.319 -4.426 -25.029 1.00 1.43 O ATOM 0 H GLU A 96 2.460 -5.644 -23.153 1.00 61.35 H new ATOM 0 HA GLU A 96 0.496 -5.315 -25.294 1.00 40.23 H new ATOM 0 HB2 GLU A 96 0.221 -4.274 -22.491 1.00 42.32 H new ATOM 0 HB3 GLU A 96 -0.224 -3.200 -23.802 1.00 42.32 H new ATOM 0 HG2 GLU A 96 -1.380 -5.791 -24.303 1.00 33.45 H new ATOM 0 HG3 GLU A 96 -1.745 -5.323 -22.654 1.00 33.45 H new ATOM 1536 N GLY A 97 3.168 -4.244 -25.209 1.00 50.54 N ATOM 1537 CA GLY A 97 4.187 -3.313 -25.657 1.00 43.24 C ATOM 1538 C GLY A 97 5.328 -4.004 -26.378 1.00 34.52 C ATOM 1539 O GLY A 97 5.938 -4.931 -25.844 1.00 1.33 O ATOM 0 H GLY A 97 3.461 -5.221 -25.182 1.00 50.54 H new ATOM 0 HA2 GLY A 97 3.735 -2.576 -26.321 1.00 43.24 H new ATOM 0 HA3 GLY A 97 4.580 -2.769 -24.798 1.00 43.24 H new ATOM 1543 N PHE A 98 5.615 -3.556 -27.595 1.00 43.30 N ATOM 1544 CA PHE A 98 6.688 -4.140 -28.391 1.00 44.43 C ATOM 1545 C PHE A 98 7.984 -3.351 -28.220 1.00 75.12 C ATOM 1546 O PHE A 98 7.975 -2.218 -27.738 1.00 71.31 O ATOM 1547 CB PHE A 98 6.293 -4.178 -29.869 1.00 11.11 C ATOM 1548 CG PHE A 98 5.893 -5.544 -30.347 1.00 61.42 C ATOM 1549 CD1 PHE A 98 6.759 -6.618 -30.220 1.00 63.33 C ATOM 1550 CD2 PHE A 98 4.651 -5.755 -30.924 1.00 41.13 C ATOM 1551 CE1 PHE A 98 6.394 -7.877 -30.659 1.00 64.20 C ATOM 1552 CE2 PHE A 98 4.281 -7.012 -31.364 1.00 55.54 C ATOM 1553 CZ PHE A 98 5.154 -8.074 -31.233 1.00 14.32 C ATOM 0 H PHE A 98 5.120 -2.790 -28.052 1.00 43.30 H new ATOM 0 HA PHE A 98 6.854 -5.158 -28.040 1.00 44.43 H new ATOM 0 HB2 PHE A 98 5.466 -3.487 -30.034 1.00 11.11 H new ATOM 0 HB3 PHE A 98 7.130 -3.822 -30.470 1.00 11.11 H new ATOM 0 HD1 PHE A 98 7.731 -6.470 -29.773 1.00 63.33 H new ATOM 0 HD2 PHE A 98 3.964 -4.928 -31.031 1.00 41.13 H new ATOM 0 HE1 PHE A 98 7.078 -8.706 -30.553 1.00 64.20 H new ATOM 0 HE2 PHE A 98 3.309 -7.164 -31.810 1.00 55.54 H new ATOM 0 HZ PHE A 98 4.867 -9.056 -31.579 1.00 14.32 H new ATOM 1563 N VAL A 99 9.097 -3.959 -28.618 1.00 74.13 N ATOM 1564 CA VAL A 99 10.400 -3.315 -28.510 1.00 61.11 C ATOM 1565 C VAL A 99 11.441 -4.034 -29.362 1.00 15.42 C ATOM 1566 O VAL A 99 11.208 -5.145 -29.837 1.00 62.31 O ATOM 1567 CB VAL A 99 10.887 -3.276 -27.049 1.00 41.43 C ATOM 1568 CG1 VAL A 99 10.765 -1.869 -26.484 1.00 4.14 C ATOM 1569 CG2 VAL A 99 10.108 -4.269 -26.201 1.00 72.54 C ATOM 0 H VAL A 99 9.122 -4.897 -29.018 1.00 74.13 H new ATOM 0 HA VAL A 99 10.280 -2.294 -28.873 1.00 61.11 H new ATOM 0 HB VAL A 99 11.939 -3.561 -27.027 1.00 41.43 H new ATOM 0 HG11 VAL A 99 11.113 -1.860 -25.451 1.00 4.14 H new ATOM 0 HG12 VAL A 99 11.371 -1.185 -27.077 1.00 4.14 H new ATOM 0 HG13 VAL A 99 9.723 -1.552 -26.518 1.00 4.14 H new ATOM 0 HG21 VAL A 99 10.465 -4.228 -25.172 1.00 72.54 H new ATOM 0 HG22 VAL A 99 9.048 -4.017 -26.227 1.00 72.54 H new ATOM 0 HG23 VAL A 99 10.252 -5.275 -26.595 1.00 72.54 H new ATOM 1579 N ASP A 100 12.588 -3.392 -29.550 1.00 41.34 N ATOM 1580 CA ASP A 100 13.666 -3.970 -30.344 1.00 62.01 C ATOM 1581 C ASP A 100 14.971 -3.993 -29.554 1.00 33.35 C ATOM 1582 O ASP A 100 15.375 -2.985 -28.975 1.00 54.04 O ATOM 1583 CB ASP A 100 13.855 -3.180 -31.640 1.00 12.10 C ATOM 1584 CG ASP A 100 12.591 -3.128 -32.476 1.00 31.43 C ATOM 1585 OD1 ASP A 100 11.535 -2.742 -31.932 1.00 11.00 O ATOM 1586 OD2 ASP A 100 12.658 -3.474 -33.674 1.00 10.42 O ATOM 0 H ASP A 100 12.796 -2.471 -29.164 1.00 41.34 H new ATOM 0 HA ASP A 100 13.392 -4.996 -30.590 1.00 62.01 H new ATOM 0 HB2 ASP A 100 14.171 -2.165 -31.400 1.00 12.10 H new ATOM 0 HB3 ASP A 100 14.656 -3.633 -32.225 1.00 12.10 H new ATOM 1591 N GLU A 101 15.624 -5.151 -29.533 1.00 33.13 N ATOM 1592 CA GLU A 101 16.881 -5.305 -28.811 1.00 65.01 C ATOM 1593 C GLU A 101 18.033 -4.667 -29.583 1.00 0.34 C ATOM 1594 O GLU A 101 19.020 -5.327 -29.905 1.00 20.35 O ATOM 1595 CB GLU A 101 17.176 -6.786 -28.566 1.00 65.31 C ATOM 1596 CG GLU A 101 17.963 -7.048 -27.293 1.00 4.31 C ATOM 1597 CD GLU A 101 18.822 -8.294 -27.383 1.00 45.15 C ATOM 1598 OE1 GLU A 101 18.272 -9.374 -27.684 1.00 4.12 O ATOM 1599 OE2 GLU A 101 20.046 -8.188 -27.154 1.00 73.51 O ATOM 0 H GLU A 101 15.303 -5.995 -30.007 1.00 33.13 H new ATOM 0 HA GLU A 101 16.784 -4.798 -27.851 1.00 65.01 H new ATOM 0 HB2 GLU A 101 16.234 -7.332 -28.520 1.00 65.31 H new ATOM 0 HB3 GLU A 101 17.733 -7.182 -29.415 1.00 65.31 H new ATOM 0 HG2 GLU A 101 18.598 -6.188 -27.080 1.00 4.31 H new ATOM 0 HG3 GLU A 101 17.271 -7.148 -26.457 1.00 4.31 H new ATOM 1606 N ALA A 102 17.898 -3.378 -29.876 1.00 41.50 N ATOM 1607 CA ALA A 102 18.927 -2.649 -30.608 1.00 53.10 C ATOM 1608 C ALA A 102 19.255 -1.326 -29.924 1.00 33.33 C ATOM 1609 O ALA A 102 19.373 -1.262 -28.699 1.00 71.44 O ATOM 1610 CB ALA A 102 18.482 -2.407 -32.043 1.00 22.11 C ATOM 0 H ALA A 102 17.086 -2.817 -29.618 1.00 41.50 H new ATOM 0 HA ALA A 102 19.831 -3.257 -30.617 1.00 53.10 H new ATOM 0 HB1 ALA A 102 19.260 -1.862 -32.578 1.00 22.11 H new ATOM 0 HB2 ALA A 102 18.305 -3.363 -32.535 1.00 22.11 H new ATOM 0 HB3 ALA A 102 17.562 -1.822 -32.045 1.00 22.11 H new