USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1084 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 137 ASNHD21 : A 137 ASN OD1 : A 403 CACA :(metal ligand) USER MOD NoAdj : A 137 ASNHD22 : A 137 ASN OD1 : A 403 CACA :(metal ligand) USER MOD Set 1.1: A 5 THR OG1 : rot -76:sc= -2.36! USER MOD Set 1.2: A 8 GLN : amide:sc= -9.68! C(o=-12!,f=-17!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 126:sc= 1.16 USER MOD Single : A 36 MET CE :methyl -173:sc= -0.0489 (180deg=-0.115) USER MOD Single : A 38 SER OG : rot -32:sc= 0.0351 USER MOD Single : A 41 GLN : amide:sc= -0.118 K(o=-0.12,f=-3.7!) USER MOD Single : A 42 ASN : amide:sc= -0.233 K(o=-0.23,f=-2.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 51 MET CE :methyl -117:sc= -0.0818 (180deg=-0.524) USER MOD Single : A 53 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.8!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0337 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -121:sc= -0.117 (180deg=-0.683) USER MOD Single : A 77 LYS NZ :NH3+ -146:sc= -0.228 (180deg=-1.05) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 45:sc= 0.313 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -16.4! C(o=-16!,f=-25!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.652 USER MOD Single : A 107 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=-0.26) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 78:sc= 0.295 USER MOD Single : A 111 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.61) USER MOD Single : A 115 LYS NZ :NH3+ -105:sc= -1.82 (180deg=-2.09) USER MOD Single : A 117 THR OG1 : rot -170:sc= -0.695 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.3!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.101 K(o=-0.1,f=-2.4!) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot -14:sc= -4.6! USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 3 48.991 -15.514 14.254 1.00 20.16 N ATOM 2 CA GLN A 3 50.167 -15.957 13.514 1.00 19.97 C ATOM 3 C GLN A 3 50.144 -15.407 12.092 1.00 17.59 C ATOM 4 O GLN A 3 49.385 -15.879 11.246 1.00 19.14 O ATOM 5 CB GLN A 3 50.212 -17.485 13.472 1.00 20.20 C ATOM 6 CG GLN A 3 51.526 -17.940 12.834 1.00 23.46 C ATOM 7 CD GLN A 3 51.466 -19.431 12.523 1.00 22.58 C ATOM 8 OE1 GLN A 3 51.036 -20.224 13.360 1.00 23.20 O ATOM 9 NE2 GLN A 3 51.875 -19.863 11.361 1.00 23.18 N ATOM 0 HA GLN A 3 51.055 -15.582 14.022 1.00 19.97 H new ATOM 0 HB2 GLN A 3 50.126 -17.890 14.480 1.00 20.20 H new ATOM 0 HB3 GLN A 3 49.366 -17.869 12.901 1.00 20.20 H new ATOM 0 HG2 GLN A 3 51.710 -17.376 11.919 1.00 23.46 H new ATOM 0 HG3 GLN A 3 52.358 -17.734 13.508 1.00 23.46 H new ATOM 0 HE21 GLN A 3 52.231 -19.204 10.668 1.00 23.18 H new ATOM 0 HE22 GLN A 3 51.838 -20.859 11.146 1.00 23.18 H new ATOM 18 N LEU A 4 50.980 -14.406 11.836 1.00 13.49 N ATOM 19 CA LEU A 4 51.047 -13.799 10.511 1.00 12.54 C ATOM 20 C LEU A 4 51.838 -14.686 9.555 1.00 9.75 C ATOM 21 O LEU A 4 52.969 -15.075 9.846 1.00 11.53 O ATOM 22 CB LEU A 4 51.710 -12.423 10.600 1.00 12.03 C ATOM 23 CG LEU A 4 50.855 -11.392 9.860 1.00 14.38 C ATOM 24 CD1 LEU A 4 49.586 -11.108 10.665 1.00 12.06 C ATOM 25 CD2 LEU A 4 51.652 -10.096 9.693 1.00 13.89 C ATOM 0 H LEU A 4 51.616 -14.000 12.522 1.00 13.49 H new ATOM 0 HA LEU A 4 50.032 -13.689 10.130 1.00 12.54 H new ATOM 0 HB2 LEU A 4 51.827 -12.131 11.644 1.00 12.03 H new ATOM 0 HB3 LEU A 4 52.709 -12.461 10.166 1.00 12.03 H new ATOM 0 HG LEU A 4 50.583 -11.782 8.879 1.00 14.38 H new ATOM 0 HD11 LEU A 4 48.977 -10.374 10.138 1.00 12.06 H new ATOM 0 HD12 LEU A 4 49.018 -12.030 10.786 1.00 12.06 H new ATOM 0 HD13 LEU A 4 49.857 -10.717 11.646 1.00 12.06 H new ATOM 0 HD21 LEU A 4 51.044 -9.360 9.166 1.00 13.89 H new ATOM 0 HD22 LEU A 4 51.923 -9.707 10.674 1.00 13.89 H new ATOM 0 HD23 LEU A 4 52.557 -10.297 9.120 1.00 13.89 H new ATOM 37 N THR A 5 51.235 -15.002 8.414 1.00 7.34 N ATOM 38 CA THR A 5 51.892 -15.845 7.421 1.00 2.31 C ATOM 39 C THR A 5 53.008 -15.077 6.720 1.00 2.00 C ATOM 40 O THR A 5 52.947 -13.854 6.593 1.00 2.00 O ATOM 41 CB THR A 5 50.873 -16.327 6.387 1.00 2.00 C ATOM 42 OG1 THR A 5 50.252 -15.203 5.778 1.00 2.35 O ATOM 43 CG2 THR A 5 49.813 -17.188 7.075 1.00 2.65 C ATOM 0 H THR A 5 50.299 -14.690 8.155 1.00 7.34 H new ATOM 0 HA THR A 5 52.324 -16.705 7.932 1.00 2.31 H new ATOM 0 HB THR A 5 51.380 -16.920 5.625 1.00 2.00 H new ATOM 0 HG1 THR A 5 49.595 -14.818 6.395 1.00 2.35 H new ATOM 0 HG21 THR A 5 49.088 -17.531 6.337 1.00 2.65 H new ATOM 0 HG22 THR A 5 50.291 -18.050 7.542 1.00 2.65 H new ATOM 0 HG23 THR A 5 49.304 -16.598 7.837 1.00 2.65 H new ATOM 51 N GLU A 6 54.024 -15.802 6.266 1.00 2.00 N ATOM 52 CA GLU A 6 55.149 -15.178 5.578 1.00 2.00 C ATOM 53 C GLU A 6 54.652 -14.232 4.489 1.00 2.00 C ATOM 54 O GLU A 6 55.154 -13.117 4.346 1.00 2.00 O ATOM 55 CB GLU A 6 56.042 -16.253 4.955 1.00 2.00 C ATOM 56 CG GLU A 6 55.170 -17.354 4.351 1.00 2.39 C ATOM 57 CD GLU A 6 55.216 -18.598 5.231 1.00 7.12 C ATOM 58 OE1 GLU A 6 56.246 -19.252 5.244 1.00 4.58 O ATOM 59 OE2 GLU A 6 54.221 -18.879 5.879 1.00 2.00 O ATOM 0 H GLU A 6 54.093 -16.815 6.361 1.00 2.00 H new ATOM 0 HA GLU A 6 55.724 -14.606 6.306 1.00 2.00 H new ATOM 0 HB2 GLU A 6 56.676 -15.813 4.185 1.00 2.00 H new ATOM 0 HB3 GLU A 6 56.705 -16.673 5.711 1.00 2.00 H new ATOM 0 HG2 GLU A 6 54.142 -17.004 4.256 1.00 2.39 H new ATOM 0 HG3 GLU A 6 55.519 -17.596 3.347 1.00 2.39 H new ATOM 66 N GLU A 7 53.663 -14.684 3.725 1.00 2.00 N ATOM 67 CA GLU A 7 53.106 -13.869 2.652 1.00 2.00 C ATOM 68 C GLU A 7 52.685 -12.502 3.182 1.00 2.00 C ATOM 69 O GLU A 7 52.683 -11.515 2.447 1.00 2.00 O ATOM 70 CB GLU A 7 51.898 -14.574 2.034 1.00 2.00 C ATOM 71 CG GLU A 7 52.377 -15.696 1.111 1.00 2.00 C ATOM 72 CD GLU A 7 51.255 -16.108 0.164 1.00 6.50 C ATOM 73 OE1 GLU A 7 50.735 -17.199 0.332 1.00 4.99 O ATOM 74 OE2 GLU A 7 50.931 -15.326 -0.715 1.00 6.85 O ATOM 0 H GLU A 7 53.233 -15.603 3.828 1.00 2.00 H new ATOM 0 HA GLU A 7 53.873 -13.730 1.890 1.00 2.00 H new ATOM 0 HB2 GLU A 7 51.261 -14.982 2.819 1.00 2.00 H new ATOM 0 HB3 GLU A 7 51.295 -13.860 1.473 1.00 2.00 H new ATOM 0 HG2 GLU A 7 53.243 -15.363 0.539 1.00 2.00 H new ATOM 0 HG3 GLU A 7 52.697 -16.553 1.703 1.00 2.00 H new ATOM 81 N GLN A 8 52.328 -12.454 4.461 1.00 2.00 N ATOM 82 CA GLN A 8 51.907 -11.202 5.079 1.00 2.00 C ATOM 83 C GLN A 8 53.101 -10.475 5.689 1.00 2.00 C ATOM 84 O GLN A 8 53.326 -9.295 5.420 1.00 2.26 O ATOM 85 CB GLN A 8 50.868 -11.481 6.168 1.00 2.98 C ATOM 86 CG GLN A 8 49.490 -11.655 5.526 1.00 3.96 C ATOM 87 CD GLN A 8 49.600 -12.536 4.286 1.00 6.08 C ATOM 88 OE1 GLN A 8 50.250 -12.160 3.311 1.00 7.35 O ATOM 89 NE2 GLN A 8 48.998 -13.694 4.265 1.00 15.10 N ATOM 0 H GLN A 8 52.321 -13.260 5.086 1.00 2.00 H new ATOM 0 HA GLN A 8 51.467 -10.570 4.308 1.00 2.00 H new ATOM 0 HB2 GLN A 8 51.139 -12.380 6.722 1.00 2.98 H new ATOM 0 HB3 GLN A 8 50.846 -10.659 6.884 1.00 2.98 H new ATOM 0 HG2 GLN A 8 48.801 -12.104 6.241 1.00 3.96 H new ATOM 0 HG3 GLN A 8 49.080 -10.682 5.256 1.00 3.96 H new ATOM 0 HE21 GLN A 8 48.460 -14.004 5.074 1.00 15.10 H new ATOM 0 HE22 GLN A 8 49.066 -14.289 3.439 1.00 15.10 H new ATOM 98 N ILE A 9 53.865 -11.188 6.510 1.00 2.00 N ATOM 99 CA ILE A 9 55.035 -10.601 7.153 1.00 2.00 C ATOM 100 C ILE A 9 55.897 -9.868 6.130 1.00 3.62 C ATOM 101 O ILE A 9 56.557 -8.881 6.454 1.00 2.00 O ATOM 102 CB ILE A 9 55.862 -11.694 7.831 1.00 2.16 C ATOM 103 CG1 ILE A 9 54.992 -12.429 8.854 1.00 2.00 C ATOM 104 CG2 ILE A 9 57.059 -11.061 8.543 1.00 4.72 C ATOM 105 CD1 ILE A 9 55.767 -13.618 9.423 1.00 2.00 C ATOM 0 H ILE A 9 53.697 -12.166 6.745 1.00 2.00 H new ATOM 0 HA ILE A 9 54.694 -9.887 7.903 1.00 2.00 H new ATOM 0 HB ILE A 9 56.217 -12.400 7.080 1.00 2.16 H new ATOM 0 HG12 ILE A 9 54.705 -11.750 9.657 1.00 2.00 H new ATOM 0 HG13 ILE A 9 54.071 -12.773 8.383 1.00 2.00 H new ATOM 0 HG21 ILE A 9 57.649 -11.840 9.026 1.00 4.72 H new ATOM 0 HG22 ILE A 9 57.678 -10.535 7.816 1.00 4.72 H new ATOM 0 HG23 ILE A 9 56.704 -10.356 9.295 1.00 4.72 H new ATOM 0 HD11 ILE A 9 55.147 -14.141 10.151 1.00 2.00 H new ATOM 0 HD12 ILE A 9 56.032 -14.300 8.615 1.00 2.00 H new ATOM 0 HD13 ILE A 9 56.675 -13.261 9.909 1.00 2.00 H new ATOM 117 N ALA A 10 55.889 -10.359 4.895 1.00 5.09 N ATOM 118 CA ALA A 10 56.676 -9.742 3.834 1.00 5.63 C ATOM 119 C ALA A 10 55.982 -8.487 3.313 1.00 4.82 C ATOM 120 O ALA A 10 56.540 -7.391 3.368 1.00 4.15 O ATOM 121 CB ALA A 10 56.872 -10.733 2.685 1.00 6.68 C ATOM 0 H ALA A 10 55.351 -11.176 4.606 1.00 5.09 H new ATOM 0 HA ALA A 10 57.647 -9.464 4.243 1.00 5.63 H new ATOM 0 HB1 ALA A 10 57.461 -10.264 1.897 1.00 6.68 H new ATOM 0 HB2 ALA A 10 57.395 -11.616 3.052 1.00 6.68 H new ATOM 0 HB3 ALA A 10 55.900 -11.025 2.287 1.00 6.68 H new ATOM 127 N GLU A 11 54.765 -8.655 2.808 1.00 2.54 N ATOM 128 CA GLU A 11 54.006 -7.528 2.279 1.00 3.13 C ATOM 129 C GLU A 11 54.108 -6.326 3.213 1.00 5.12 C ATOM 130 O GLU A 11 54.086 -5.179 2.769 1.00 4.53 O ATOM 131 CB GLU A 11 52.537 -7.921 2.110 1.00 2.38 C ATOM 132 CG GLU A 11 51.784 -6.792 1.403 1.00 4.44 C ATOM 133 CD GLU A 11 51.480 -5.670 2.391 1.00 7.86 C ATOM 134 OE1 GLU A 11 51.068 -5.977 3.497 1.00 9.34 O ATOM 135 OE2 GLU A 11 51.664 -4.520 2.026 1.00 18.49 O ATOM 0 H GLU A 11 54.286 -9.554 2.754 1.00 2.54 H new ATOM 0 HA GLU A 11 54.424 -7.257 1.310 1.00 3.13 H new ATOM 0 HB2 GLU A 11 52.460 -8.842 1.531 1.00 2.38 H new ATOM 0 HB3 GLU A 11 52.088 -8.118 3.084 1.00 2.38 H new ATOM 0 HG2 GLU A 11 52.381 -6.408 0.576 1.00 4.44 H new ATOM 0 HG3 GLU A 11 50.856 -7.174 0.976 1.00 4.44 H new ATOM 142 N PHE A 12 54.220 -6.598 4.509 1.00 3.94 N ATOM 143 CA PHE A 12 54.326 -5.530 5.496 1.00 5.41 C ATOM 144 C PHE A 12 55.719 -4.910 5.468 1.00 3.84 C ATOM 145 O PHE A 12 55.865 -3.690 5.398 1.00 4.14 O ATOM 146 CB PHE A 12 54.038 -6.081 6.894 1.00 4.97 C ATOM 147 CG PHE A 12 52.564 -5.952 7.193 1.00 7.97 C ATOM 148 CD1 PHE A 12 51.967 -4.686 7.239 1.00 13.16 C ATOM 149 CD2 PHE A 12 51.793 -7.098 7.423 1.00 11.29 C ATOM 150 CE1 PHE A 12 50.600 -4.567 7.516 1.00 14.89 C ATOM 151 CE2 PHE A 12 50.426 -6.979 7.700 1.00 13.52 C ATOM 152 CZ PHE A 12 49.829 -5.713 7.746 1.00 12.41 C ATOM 0 H PHE A 12 54.240 -7.541 4.898 1.00 3.94 H new ATOM 0 HA PHE A 12 53.594 -4.760 5.251 1.00 5.41 H new ATOM 0 HB2 PHE A 12 54.342 -7.126 6.954 1.00 4.97 H new ATOM 0 HB3 PHE A 12 54.620 -5.537 7.638 1.00 4.97 H new ATOM 0 HD1 PHE A 12 52.561 -3.802 7.061 1.00 13.16 H new ATOM 0 HD2 PHE A 12 52.253 -8.074 7.387 1.00 11.29 H new ATOM 0 HE1 PHE A 12 50.140 -3.591 7.552 1.00 14.89 H new ATOM 0 HE2 PHE A 12 49.832 -7.863 7.878 1.00 13.52 H new ATOM 0 HZ PHE A 12 48.774 -5.621 7.959 1.00 12.41 H new ATOM 162 N LYS A 13 56.740 -5.759 5.523 1.00 4.24 N ATOM 163 CA LYS A 13 58.118 -5.282 5.503 1.00 5.23 C ATOM 164 C LYS A 13 58.308 -4.248 4.398 1.00 4.55 C ATOM 165 O LYS A 13 59.070 -3.293 4.552 1.00 2.18 O ATOM 166 CB LYS A 13 59.074 -6.455 5.278 1.00 7.96 C ATOM 167 CG LYS A 13 60.289 -6.307 6.196 1.00 10.74 C ATOM 168 CD LYS A 13 61.067 -5.046 5.814 1.00 12.48 C ATOM 169 CE LYS A 13 62.374 -4.993 6.608 1.00 16.63 C ATOM 170 NZ LYS A 13 62.784 -3.572 6.794 1.00 18.39 N ATOM 0 H LYS A 13 56.641 -6.773 5.581 1.00 4.24 H new ATOM 0 HA LYS A 13 58.337 -4.816 6.464 1.00 5.23 H new ATOM 0 HB2 LYS A 13 58.565 -7.397 5.481 1.00 7.96 H new ATOM 0 HB3 LYS A 13 59.393 -6.483 4.236 1.00 7.96 H new ATOM 0 HG2 LYS A 13 59.967 -6.248 7.236 1.00 10.74 H new ATOM 0 HG3 LYS A 13 60.931 -7.183 6.111 1.00 10.74 H new ATOM 0 HD2 LYS A 13 61.278 -5.046 4.745 1.00 12.48 H new ATOM 0 HD3 LYS A 13 60.467 -4.159 6.020 1.00 12.48 H new ATOM 0 HE2 LYS A 13 62.243 -5.475 7.577 1.00 16.63 H new ATOM 0 HE3 LYS A 13 63.155 -5.542 6.081 1.00 16.63 H new ATOM 0 HZ1 LYS A 13 63.672 -3.535 7.334 1.00 18.39 H new ATOM 0 HZ2 LYS A 13 62.924 -3.127 5.865 1.00 18.39 H new ATOM 0 HZ3 LYS A 13 62.042 -3.062 7.314 1.00 18.39 H new ATOM 184 N GLU A 14 57.610 -4.445 3.284 1.00 5.40 N ATOM 185 CA GLU A 14 57.710 -3.522 2.159 1.00 5.67 C ATOM 186 C GLU A 14 57.237 -2.130 2.566 1.00 6.21 C ATOM 187 O GLU A 14 57.916 -1.135 2.314 1.00 5.40 O ATOM 188 CB GLU A 14 56.862 -4.030 0.991 1.00 7.02 C ATOM 189 CG GLU A 14 57.505 -5.286 0.401 1.00 9.36 C ATOM 190 CD GLU A 14 58.570 -4.897 -0.619 1.00 16.81 C ATOM 191 OE1 GLU A 14 58.204 -4.600 -1.744 1.00 18.47 O ATOM 192 OE2 GLU A 14 59.736 -4.902 -0.260 1.00 22.76 O ATOM 0 H GLU A 14 56.974 -5.229 3.136 1.00 5.40 H new ATOM 0 HA GLU A 14 58.754 -3.463 1.851 1.00 5.67 H new ATOM 0 HB2 GLU A 14 55.851 -4.252 1.332 1.00 7.02 H new ATOM 0 HB3 GLU A 14 56.778 -3.258 0.226 1.00 7.02 H new ATOM 0 HG2 GLU A 14 57.952 -5.883 1.196 1.00 9.36 H new ATOM 0 HG3 GLU A 14 56.744 -5.905 -0.074 1.00 9.36 H new ATOM 199 N ALA A 15 56.069 -2.069 3.198 1.00 5.16 N ATOM 200 CA ALA A 15 55.516 -0.793 3.637 1.00 5.07 C ATOM 201 C ALA A 15 56.587 0.047 4.325 1.00 5.10 C ATOM 202 O ALA A 15 56.794 1.211 3.981 1.00 5.67 O ATOM 203 CB ALA A 15 54.353 -1.032 4.602 1.00 5.43 C ATOM 0 H ALA A 15 55.491 -2.881 3.416 1.00 5.16 H new ATOM 0 HA ALA A 15 55.155 -0.254 2.761 1.00 5.07 H new ATOM 0 HB1 ALA A 15 53.946 -0.074 4.925 1.00 5.43 H new ATOM 0 HB2 ALA A 15 53.575 -1.606 4.099 1.00 5.43 H new ATOM 0 HB3 ALA A 15 54.709 -1.586 5.470 1.00 5.43 H new ATOM 209 N PHE A 16 57.266 -0.552 5.298 1.00 4.72 N ATOM 210 CA PHE A 16 58.315 0.150 6.029 1.00 6.21 C ATOM 211 C PHE A 16 59.184 0.957 5.069 1.00 7.11 C ATOM 212 O PHE A 16 59.280 2.179 5.181 1.00 4.60 O ATOM 213 CB PHE A 16 59.186 -0.855 6.788 1.00 6.80 C ATOM 214 CG PHE A 16 59.342 -0.410 8.223 1.00 5.05 C ATOM 215 CD1 PHE A 16 60.620 -0.224 8.763 1.00 6.58 C ATOM 216 CD2 PHE A 16 58.208 -0.185 9.012 1.00 10.31 C ATOM 217 CE1 PHE A 16 60.764 0.187 10.094 1.00 4.50 C ATOM 218 CE2 PHE A 16 58.352 0.227 10.343 1.00 10.06 C ATOM 219 CZ PHE A 16 59.630 0.413 10.883 1.00 13.28 C ATOM 0 H PHE A 16 57.110 -1.515 5.597 1.00 4.72 H new ATOM 0 HA PHE A 16 57.846 0.831 6.739 1.00 6.21 H new ATOM 0 HB2 PHE A 16 58.732 -1.845 6.751 1.00 6.80 H new ATOM 0 HB3 PHE A 16 60.164 -0.935 6.313 1.00 6.80 H new ATOM 0 HD1 PHE A 16 61.495 -0.397 8.153 1.00 6.58 H new ATOM 0 HD2 PHE A 16 57.222 -0.329 8.595 1.00 10.31 H new ATOM 0 HE1 PHE A 16 61.750 0.330 10.512 1.00 4.50 H new ATOM 0 HE2 PHE A 16 57.477 0.401 10.952 1.00 10.06 H new ATOM 0 HZ PHE A 16 59.741 0.731 11.909 1.00 13.28 H new ATOM 229 N SER A 17 59.815 0.264 4.127 1.00 6.98 N ATOM 230 CA SER A 17 60.674 0.926 3.152 1.00 7.97 C ATOM 231 C SER A 17 59.993 2.174 2.601 1.00 7.13 C ATOM 232 O SER A 17 60.652 3.077 2.086 1.00 8.83 O ATOM 233 CB SER A 17 60.995 -0.031 2.004 1.00 10.21 C ATOM 234 OG SER A 17 61.732 -1.138 2.508 1.00 12.16 O ATOM 0 H SER A 17 59.749 -0.748 4.018 1.00 6.98 H new ATOM 0 HA SER A 17 61.599 1.219 3.649 1.00 7.97 H new ATOM 0 HB2 SER A 17 60.074 -0.376 1.534 1.00 10.21 H new ATOM 0 HB3 SER A 17 61.571 0.485 1.235 1.00 10.21 H new ATOM 0 HG SER A 17 61.938 -1.755 1.775 1.00 12.16 H new ATOM 240 N LEU A 18 58.669 2.217 2.713 1.00 7.48 N ATOM 241 CA LEU A 18 57.907 3.360 2.223 1.00 9.00 C ATOM 242 C LEU A 18 58.051 4.545 3.172 1.00 7.93 C ATOM 243 O LEU A 18 58.155 5.692 2.737 1.00 6.26 O ATOM 244 CB LEU A 18 56.430 2.985 2.090 1.00 10.08 C ATOM 245 CG LEU A 18 55.741 3.959 1.132 1.00 14.78 C ATOM 246 CD1 LEU A 18 56.105 3.601 -0.310 1.00 17.89 C ATOM 247 CD2 LEU A 18 54.224 3.862 1.313 1.00 15.78 C ATOM 0 H LEU A 18 58.105 1.479 3.135 1.00 7.48 H new ATOM 0 HA LEU A 18 58.298 3.642 1.246 1.00 9.00 H new ATOM 0 HB2 LEU A 18 56.335 1.965 1.719 1.00 10.08 H new ATOM 0 HB3 LEU A 18 55.947 3.015 3.066 1.00 10.08 H new ATOM 0 HG LEU A 18 56.070 4.975 1.348 1.00 14.78 H new ATOM 0 HD11 LEU A 18 55.614 4.295 -0.992 1.00 17.89 H new ATOM 0 HD12 LEU A 18 57.185 3.668 -0.440 1.00 17.89 H new ATOM 0 HD13 LEU A 18 55.776 2.585 -0.527 1.00 17.89 H new ATOM 0 HD21 LEU A 18 53.731 4.555 0.631 1.00 15.78 H new ATOM 0 HD22 LEU A 18 53.896 2.845 1.096 1.00 15.78 H new ATOM 0 HD23 LEU A 18 53.963 4.116 2.340 1.00 15.78 H new ATOM 259 N PHE A 19 58.056 4.261 4.471 1.00 6.61 N ATOM 260 CA PHE A 19 58.187 5.313 5.472 1.00 3.44 C ATOM 261 C PHE A 19 59.656 5.556 5.803 1.00 5.51 C ATOM 262 O PHE A 19 60.125 6.694 5.790 1.00 6.11 O ATOM 263 CB PHE A 19 57.433 4.922 6.744 1.00 4.01 C ATOM 264 CG PHE A 19 55.947 5.047 6.507 1.00 2.30 C ATOM 265 CD1 PHE A 19 55.249 6.153 7.007 1.00 6.71 C ATOM 266 CD2 PHE A 19 55.267 4.057 5.788 1.00 9.14 C ATOM 267 CE1 PHE A 19 53.871 6.269 6.788 1.00 6.83 C ATOM 268 CE2 PHE A 19 53.889 4.173 5.569 1.00 7.38 C ATOM 269 CZ PHE A 19 53.191 5.279 6.069 1.00 6.43 C ATOM 0 H PHE A 19 57.972 3.319 4.852 1.00 6.61 H new ATOM 0 HA PHE A 19 57.761 6.230 5.066 1.00 3.44 H new ATOM 0 HB2 PHE A 19 57.682 3.899 7.027 1.00 4.01 H new ATOM 0 HB3 PHE A 19 57.735 5.565 7.571 1.00 4.01 H new ATOM 0 HD1 PHE A 19 55.774 6.917 7.562 1.00 6.71 H new ATOM 0 HD2 PHE A 19 55.805 3.204 5.402 1.00 9.14 H new ATOM 0 HE1 PHE A 19 53.333 7.122 7.174 1.00 6.83 H new ATOM 0 HE2 PHE A 19 53.364 3.409 5.014 1.00 7.38 H new ATOM 0 HZ PHE A 19 52.128 5.368 5.900 1.00 6.43 H new ATOM 279 N ASP A 20 60.377 4.480 6.101 1.00 4.53 N ATOM 280 CA ASP A 20 61.793 4.590 6.434 1.00 5.06 C ATOM 281 C ASP A 20 62.615 4.895 5.186 1.00 5.41 C ATOM 282 O ASP A 20 63.394 4.062 4.725 1.00 7.47 O ATOM 283 CB ASP A 20 62.284 3.285 7.064 1.00 3.50 C ATOM 284 CG ASP A 20 61.752 3.160 8.487 1.00 5.29 C ATOM 285 OD1 ASP A 20 60.560 2.948 8.637 1.00 4.70 O ATOM 286 OD2 ASP A 20 62.544 3.277 9.407 1.00 4.96 O ATOM 0 H ASP A 20 60.008 3.529 6.119 1.00 4.53 H new ATOM 0 HA ASP A 20 61.917 5.406 7.145 1.00 5.06 H new ATOM 0 HB2 ASP A 20 61.952 2.436 6.467 1.00 3.50 H new ATOM 0 HB3 ASP A 20 63.374 3.263 7.071 1.00 3.50 H new ATOM 291 N LYS A 21 62.433 6.095 4.645 1.00 8.35 N ATOM 292 CA LYS A 21 63.162 6.501 3.449 1.00 9.30 C ATOM 293 C LYS A 21 64.666 6.494 3.708 1.00 10.49 C ATOM 294 O LYS A 21 65.465 6.451 2.773 1.00 12.20 O ATOM 295 CB LYS A 21 62.723 7.904 3.022 1.00 10.83 C ATOM 296 CG LYS A 21 62.411 7.909 1.523 1.00 18.65 C ATOM 297 CD LYS A 21 61.814 9.262 1.131 1.00 23.74 C ATOM 298 CE LYS A 21 62.696 10.387 1.676 1.00 21.90 C ATOM 299 NZ LYS A 21 62.408 11.648 0.935 1.00 27.75 N ATOM 0 H LYS A 21 61.792 6.799 5.012 1.00 8.35 H new ATOM 0 HA LYS A 21 62.939 5.791 2.652 1.00 9.30 H new ATOM 0 HB2 LYS A 21 61.843 8.209 3.588 1.00 10.83 H new ATOM 0 HB3 LYS A 21 63.510 8.625 3.243 1.00 10.83 H new ATOM 0 HG2 LYS A 21 63.320 7.721 0.951 1.00 18.65 H new ATOM 0 HG3 LYS A 21 61.712 7.108 1.283 1.00 18.65 H new ATOM 0 HD2 LYS A 21 61.739 9.338 0.046 1.00 23.74 H new ATOM 0 HD3 LYS A 21 60.803 9.354 1.528 1.00 23.74 H new ATOM 0 HE2 LYS A 21 62.508 10.527 2.741 1.00 21.90 H new ATOM 0 HE3 LYS A 21 63.748 10.123 1.570 1.00 21.90 H new ATOM 0 HZ1 LYS A 21 63.007 12.413 1.305 1.00 27.75 H new ATOM 0 HZ2 LYS A 21 62.608 11.510 -0.076 1.00 27.75 H new ATOM 0 HZ3 LYS A 21 61.407 11.902 1.058 1.00 27.75 H new ATOM 313 N ASP A 22 65.043 6.538 4.981 1.00 10.35 N ATOM 314 CA ASP A 22 66.455 6.538 5.348 1.00 9.98 C ATOM 315 C ASP A 22 66.929 5.121 5.659 1.00 10.21 C ATOM 316 O ASP A 22 68.130 4.858 5.716 1.00 10.63 O ATOM 317 CB ASP A 22 66.677 7.431 6.570 1.00 11.16 C ATOM 318 CG ASP A 22 65.942 8.755 6.388 1.00 11.39 C ATOM 319 OD1 ASP A 22 64.900 8.920 7.001 1.00 8.03 O ATOM 320 OD2 ASP A 22 66.431 9.583 5.638 1.00 14.13 O ATOM 0 H ASP A 22 64.398 6.574 5.770 1.00 10.35 H new ATOM 0 HA ASP A 22 67.029 6.924 4.506 1.00 9.98 H new ATOM 0 HB2 ASP A 22 66.320 6.928 7.468 1.00 11.16 H new ATOM 0 HB3 ASP A 22 67.743 7.613 6.709 1.00 11.16 H new ATOM 325 N GLY A 23 65.979 4.214 5.859 1.00 8.93 N ATOM 326 CA GLY A 23 66.313 2.828 6.163 1.00 9.95 C ATOM 327 C GLY A 23 67.066 2.727 7.486 1.00 11.51 C ATOM 328 O GLY A 23 67.987 1.923 7.627 1.00 10.61 O ATOM 0 H GLY A 23 64.979 4.411 5.817 1.00 8.93 H new ATOM 0 HA2 GLY A 23 65.401 2.233 6.212 1.00 9.95 H new ATOM 0 HA3 GLY A 23 66.922 2.412 5.361 1.00 9.95 H new ATOM 332 N ASP A 24 66.668 3.549 8.451 1.00 11.42 N ATOM 333 CA ASP A 24 67.313 3.544 9.760 1.00 12.12 C ATOM 334 C ASP A 24 66.791 2.390 10.611 1.00 11.09 C ATOM 335 O ASP A 24 67.506 1.861 11.462 1.00 11.16 O ATOM 336 CB ASP A 24 67.050 4.869 10.477 1.00 12.48 C ATOM 337 CG ASP A 24 67.430 6.036 9.572 1.00 11.83 C ATOM 338 OD1 ASP A 24 66.773 7.061 9.652 1.00 10.91 O ATOM 339 OD2 ASP A 24 68.373 5.888 8.812 1.00 14.28 O ATOM 0 H ASP A 24 65.908 4.222 8.354 1.00 11.42 H new ATOM 0 HA ASP A 24 68.386 3.417 9.615 1.00 12.12 H new ATOM 0 HB2 ASP A 24 65.998 4.940 10.753 1.00 12.48 H new ATOM 0 HB3 ASP A 24 67.626 4.912 11.401 1.00 12.48 H new ATOM 344 N GLY A 25 65.540 2.006 10.377 1.00 9.38 N ATOM 345 CA GLY A 25 64.933 0.915 11.129 1.00 9.47 C ATOM 346 C GLY A 25 63.939 1.448 12.155 1.00 7.97 C ATOM 347 O GLY A 25 63.398 0.692 12.961 1.00 6.95 O ATOM 0 H GLY A 25 64.931 2.431 9.678 1.00 9.38 H new ATOM 0 HA2 GLY A 25 64.426 0.235 10.445 1.00 9.47 H new ATOM 0 HA3 GLY A 25 65.709 0.340 11.634 1.00 9.47 H new ATOM 351 N THR A 26 63.705 2.756 12.120 1.00 7.17 N ATOM 352 CA THR A 26 62.774 3.381 13.052 1.00 8.21 C ATOM 353 C THR A 26 62.096 4.585 12.406 1.00 8.10 C ATOM 354 O THR A 26 62.715 5.319 11.637 1.00 7.63 O ATOM 355 CB THR A 26 63.517 3.827 14.313 1.00 11.49 C ATOM 356 OG1 THR A 26 64.766 4.397 13.947 1.00 16.41 O ATOM 357 CG2 THR A 26 63.752 2.620 15.223 1.00 11.35 C ATOM 0 H THR A 26 64.144 3.400 11.461 1.00 7.17 H new ATOM 0 HA THR A 26 62.012 2.649 13.320 1.00 8.21 H new ATOM 0 HB THR A 26 62.920 4.568 14.844 1.00 11.49 H new ATOM 0 HG1 THR A 26 65.243 4.685 14.753 1.00 16.41 H new ATOM 0 HG21 THR A 26 64.281 2.939 16.121 1.00 11.35 H new ATOM 0 HG22 THR A 26 62.793 2.183 15.503 1.00 11.35 H new ATOM 0 HG23 THR A 26 64.349 1.877 14.695 1.00 11.35 H new ATOM 365 N ILE A 27 60.820 4.781 12.724 1.00 6.76 N ATOM 366 CA ILE A 27 60.068 5.900 12.168 1.00 3.01 C ATOM 367 C ILE A 27 59.818 6.960 13.236 1.00 4.61 C ATOM 368 O ILE A 27 59.271 6.667 14.299 1.00 4.59 O ATOM 369 CB ILE A 27 58.731 5.406 11.614 1.00 4.15 C ATOM 370 CG1 ILE A 27 58.885 3.965 11.123 1.00 8.03 C ATOM 371 CG2 ILE A 27 58.301 6.298 10.448 1.00 6.87 C ATOM 372 CD1 ILE A 27 57.616 3.538 10.382 1.00 5.23 C ATOM 0 H ILE A 27 60.289 4.185 13.359 1.00 6.76 H new ATOM 0 HA ILE A 27 60.653 6.343 11.362 1.00 3.01 H new ATOM 0 HB ILE A 27 57.976 5.445 12.399 1.00 4.15 H new ATOM 0 HG12 ILE A 27 59.748 3.885 10.462 1.00 8.03 H new ATOM 0 HG13 ILE A 27 59.067 3.300 11.967 1.00 8.03 H new ATOM 0 HG21 ILE A 27 57.348 5.946 10.053 1.00 6.87 H new ATOM 0 HG22 ILE A 27 58.192 7.325 10.796 1.00 6.87 H new ATOM 0 HG23 ILE A 27 59.056 6.259 9.663 1.00 6.87 H new ATOM 0 HD11 ILE A 27 57.727 2.511 10.033 1.00 5.23 H new ATOM 0 HD12 ILE A 27 56.762 3.602 11.056 1.00 5.23 H new ATOM 0 HD13 ILE A 27 57.454 4.196 9.528 1.00 5.23 H new ATOM 384 N THR A 28 60.221 8.192 12.945 1.00 5.54 N ATOM 385 CA THR A 28 60.036 9.289 13.888 1.00 5.59 C ATOM 386 C THR A 28 58.933 10.228 13.408 1.00 4.18 C ATOM 387 O THR A 28 58.451 10.110 12.282 1.00 3.04 O ATOM 388 CB THR A 28 61.342 10.071 14.043 1.00 7.09 C ATOM 389 OG1 THR A 28 61.414 11.073 13.038 1.00 7.62 O ATOM 390 CG2 THR A 28 62.529 9.118 13.903 1.00 7.80 C ATOM 0 H THR A 28 60.675 8.455 12.070 1.00 5.54 H new ATOM 0 HA THR A 28 59.747 8.870 14.852 1.00 5.59 H new ATOM 0 HB THR A 28 61.371 10.540 15.026 1.00 7.09 H new ATOM 0 HG1 THR A 28 62.249 11.576 13.137 1.00 7.62 H new ATOM 0 HG21 THR A 28 63.459 9.676 14.014 1.00 7.80 H new ATOM 0 HG22 THR A 28 62.472 8.351 14.675 1.00 7.80 H new ATOM 0 HG23 THR A 28 62.503 8.647 12.920 1.00 7.80 H new ATOM 398 N THR A 29 58.538 11.158 14.271 1.00 6.48 N ATOM 399 CA THR A 29 57.490 12.112 13.925 1.00 6.08 C ATOM 400 C THR A 29 57.993 13.105 12.882 1.00 6.97 C ATOM 401 O THR A 29 57.202 13.754 12.197 1.00 10.04 O ATOM 402 CB THR A 29 57.039 12.868 15.176 1.00 8.08 C ATOM 403 OG1 THR A 29 57.103 12.002 16.300 1.00 8.72 O ATOM 404 CG2 THR A 29 55.602 13.358 14.989 1.00 6.60 C ATOM 0 H THR A 29 58.924 11.272 15.208 1.00 6.48 H new ATOM 0 HA THR A 29 56.646 11.562 13.509 1.00 6.08 H new ATOM 0 HB THR A 29 57.694 13.724 15.338 1.00 8.08 H new ATOM 0 HG1 THR A 29 56.816 12.486 17.102 1.00 8.72 H new ATOM 0 HG21 THR A 29 55.282 13.896 15.881 1.00 6.60 H new ATOM 0 HG22 THR A 29 55.554 14.023 14.127 1.00 6.60 H new ATOM 0 HG23 THR A 29 54.945 12.504 14.826 1.00 6.60 H new ATOM 412 N LYS A 30 59.312 13.219 12.768 1.00 6.44 N ATOM 413 CA LYS A 30 59.909 14.137 11.805 1.00 5.32 C ATOM 414 C LYS A 30 59.789 13.583 10.389 1.00 5.11 C ATOM 415 O LYS A 30 59.602 14.334 9.432 1.00 2.00 O ATOM 416 CB LYS A 30 61.383 14.363 12.143 1.00 6.94 C ATOM 417 CG LYS A 30 61.949 15.469 11.250 1.00 11.76 C ATOM 418 CD LYS A 30 61.148 16.756 11.461 1.00 16.32 C ATOM 419 CE LYS A 30 62.052 17.966 11.221 1.00 16.38 C ATOM 420 NZ LYS A 30 61.316 19.213 11.570 1.00 12.63 N ATOM 0 H LYS A 30 59.984 12.692 13.326 1.00 6.44 H new ATOM 0 HA LYS A 30 59.375 15.086 11.858 1.00 5.32 H new ATOM 0 HB2 LYS A 30 61.488 14.639 13.192 1.00 6.94 H new ATOM 0 HB3 LYS A 30 61.946 13.441 11.998 1.00 6.94 H new ATOM 0 HG2 LYS A 30 63.000 15.639 11.486 1.00 11.76 H new ATOM 0 HG3 LYS A 30 61.902 15.166 10.204 1.00 11.76 H new ATOM 0 HD2 LYS A 30 60.298 16.783 10.780 1.00 16.32 H new ATOM 0 HD3 LYS A 30 60.746 16.785 12.474 1.00 16.32 H new ATOM 0 HE2 LYS A 30 62.956 17.883 11.825 1.00 16.38 H new ATOM 0 HE3 LYS A 30 62.367 17.997 10.178 1.00 16.38 H new ATOM 0 HZ1 LYS A 30 61.931 20.036 11.407 1.00 12.63 H new ATOM 0 HZ2 LYS A 30 60.466 19.292 10.976 1.00 12.63 H new ATOM 0 HZ3 LYS A 30 61.037 19.183 12.571 1.00 12.63 H new ATOM 434 N GLU A 31 59.899 12.264 10.263 1.00 2.00 N ATOM 435 CA GLU A 31 59.801 11.621 8.958 1.00 2.98 C ATOM 436 C GLU A 31 58.343 11.355 8.600 1.00 4.00 C ATOM 437 O GLU A 31 57.978 11.322 7.424 1.00 4.67 O ATOM 438 CB GLU A 31 60.575 10.302 8.967 1.00 2.67 C ATOM 439 CG GLU A 31 62.055 10.579 9.239 1.00 3.70 C ATOM 440 CD GLU A 31 62.909 9.444 8.685 1.00 3.21 C ATOM 441 OE1 GLU A 31 62.398 8.684 7.879 1.00 5.59 O ATOM 442 OE2 GLU A 31 64.062 9.352 9.074 1.00 4.09 O ATOM 0 H GLU A 31 60.055 11.624 11.042 1.00 2.00 H new ATOM 0 HA GLU A 31 60.230 12.289 8.211 1.00 2.98 H new ATOM 0 HB2 GLU A 31 60.172 9.637 9.731 1.00 2.67 H new ATOM 0 HB3 GLU A 31 60.459 9.794 8.010 1.00 2.67 H new ATOM 0 HG2 GLU A 31 62.347 11.523 8.779 1.00 3.70 H new ATOM 0 HG3 GLU A 31 62.223 10.682 10.311 1.00 3.70 H new ATOM 449 N LEU A 32 57.514 11.164 9.621 1.00 5.61 N ATOM 450 CA LEU A 32 56.096 10.900 9.402 1.00 5.49 C ATOM 451 C LEU A 32 55.420 12.105 8.757 1.00 6.12 C ATOM 452 O LEU A 32 54.868 12.006 7.661 1.00 5.57 O ATOM 453 CB LEU A 32 55.413 10.581 10.733 1.00 5.85 C ATOM 454 CG LEU A 32 54.259 9.606 10.494 1.00 7.72 C ATOM 455 CD1 LEU A 32 53.297 10.197 9.462 1.00 6.45 C ATOM 456 CD2 LEU A 32 54.814 8.279 9.972 1.00 7.63 C ATOM 0 H LEU A 32 57.796 11.187 10.601 1.00 5.61 H new ATOM 0 HA LEU A 32 56.004 10.045 8.732 1.00 5.49 H new ATOM 0 HB2 LEU A 32 56.132 10.147 11.428 1.00 5.85 H new ATOM 0 HB3 LEU A 32 55.040 11.497 11.191 1.00 5.85 H new ATOM 0 HG LEU A 32 53.727 9.435 11.430 1.00 7.72 H new ATOM 0 HD11 LEU A 32 52.475 9.502 9.292 1.00 6.45 H new ATOM 0 HD12 LEU A 32 52.902 11.143 9.833 1.00 6.45 H new ATOM 0 HD13 LEU A 32 53.828 10.367 8.525 1.00 6.45 H new ATOM 0 HD21 LEU A 32 53.993 7.583 9.801 1.00 7.63 H new ATOM 0 HD22 LEU A 32 55.345 8.450 9.036 1.00 7.63 H new ATOM 0 HD23 LEU A 32 55.500 7.857 10.707 1.00 7.63 H new ATOM 468 N GLY A 33 55.466 13.242 9.443 1.00 6.93 N ATOM 469 CA GLY A 33 54.854 14.460 8.925 1.00 4.91 C ATOM 470 C GLY A 33 55.428 14.819 7.559 1.00 6.07 C ATOM 471 O GLY A 33 54.685 15.095 6.616 1.00 6.12 O ATOM 0 H GLY A 33 55.917 13.346 10.352 1.00 6.93 H new ATOM 0 HA2 GLY A 33 53.775 14.325 8.846 1.00 4.91 H new ATOM 0 HA3 GLY A 33 55.022 15.281 9.622 1.00 4.91 H new ATOM 475 N THR A 34 56.753 14.814 7.460 1.00 6.25 N ATOM 476 CA THR A 34 57.416 15.141 6.202 1.00 6.89 C ATOM 477 C THR A 34 56.807 14.343 5.054 1.00 5.87 C ATOM 478 O THR A 34 56.557 14.881 3.975 1.00 4.67 O ATOM 479 CB THR A 34 58.911 14.834 6.305 1.00 7.13 C ATOM 480 OG1 THR A 34 59.485 15.622 7.338 1.00 8.73 O ATOM 481 CG2 THR A 34 59.593 15.158 4.975 1.00 9.63 C ATOM 0 H THR A 34 57.385 14.589 8.228 1.00 6.25 H new ATOM 0 HA THR A 34 57.277 16.204 6.004 1.00 6.89 H new ATOM 0 HB THR A 34 59.050 13.777 6.534 1.00 7.13 H new ATOM 0 HG1 THR A 34 59.956 15.040 7.970 1.00 8.73 H new ATOM 0 HG21 THR A 34 60.658 14.939 5.049 1.00 9.63 H new ATOM 0 HG22 THR A 34 59.152 14.552 4.183 1.00 9.63 H new ATOM 0 HG23 THR A 34 59.455 16.214 4.743 1.00 9.63 H new ATOM 489 N VAL A 35 56.572 13.057 5.293 1.00 4.87 N ATOM 490 CA VAL A 35 55.992 12.194 4.271 1.00 5.50 C ATOM 491 C VAL A 35 54.519 12.530 4.059 1.00 6.36 C ATOM 492 O VAL A 35 54.024 12.510 2.932 1.00 6.78 O ATOM 493 CB VAL A 35 56.128 10.729 4.686 1.00 7.07 C ATOM 494 CG1 VAL A 35 55.345 9.846 3.713 1.00 6.42 C ATOM 495 CG2 VAL A 35 57.605 10.328 4.661 1.00 4.61 C ATOM 0 H VAL A 35 56.773 12.592 6.179 1.00 4.87 H new ATOM 0 HA VAL A 35 56.529 12.358 3.337 1.00 5.50 H new ATOM 0 HB VAL A 35 55.731 10.599 5.693 1.00 7.07 H new ATOM 0 HG11 VAL A 35 55.443 8.802 4.010 1.00 6.42 H new ATOM 0 HG12 VAL A 35 54.293 10.131 3.729 1.00 6.42 H new ATOM 0 HG13 VAL A 35 55.740 9.975 2.706 1.00 6.42 H new ATOM 0 HG21 VAL A 35 57.704 9.284 4.957 1.00 4.61 H new ATOM 0 HG22 VAL A 35 58.001 10.459 3.654 1.00 4.61 H new ATOM 0 HG23 VAL A 35 58.164 10.956 5.355 1.00 4.61 H new ATOM 505 N MET A 36 53.825 12.840 5.150 0.50 5.82 N ATOM 506 CA MET A 36 52.409 13.179 5.071 0.50 6.35 C ATOM 507 C MET A 36 52.227 14.602 4.553 0.50 5.77 C ATOM 508 O MET A 36 51.169 14.953 4.030 0.50 6.52 O ATOM 509 CB MET A 36 51.764 13.050 6.452 0.50 6.47 C ATOM 510 CG MET A 36 51.034 11.710 6.552 0.50 7.91 C ATOM 511 SD MET A 36 52.064 10.407 5.831 0.50 9.11 S ATOM 512 CE MET A 36 51.138 8.997 6.487 0.50 10.12 C ATOM 0 H MET A 36 54.216 12.863 6.092 0.50 5.82 H new ATOM 0 HA MET A 36 51.927 12.488 4.379 0.50 6.35 H new ATOM 0 HB2 MET A 36 52.526 13.120 7.229 0.50 6.47 H new ATOM 0 HB3 MET A 36 51.065 13.870 6.616 0.50 6.47 H new ATOM 0 HG2 MET A 36 50.815 11.480 7.595 0.50 7.91 H new ATOM 0 HG3 MET A 36 50.079 11.764 6.030 0.50 7.91 H new ATOM 0 HE1 MET A 36 51.675 8.074 6.265 0.50 10.12 H new ATOM 0 HE2 MET A 36 51.030 9.103 7.566 0.50 10.12 H new ATOM 0 HE3 MET A 36 50.151 8.963 6.025 0.50 10.12 H new ATOM 522 N ARG A 37 53.266 15.418 4.703 1.00 5.54 N ATOM 523 CA ARG A 37 53.209 16.802 4.246 1.00 5.23 C ATOM 524 C ARG A 37 53.263 16.867 2.723 1.00 5.57 C ATOM 525 O ARG A 37 52.685 17.765 2.110 1.00 5.64 O ATOM 526 CB ARG A 37 54.379 17.594 4.834 1.00 5.44 C ATOM 527 CG ARG A 37 54.270 19.059 4.407 1.00 9.87 C ATOM 528 CD ARG A 37 55.570 19.789 4.747 1.00 7.40 C ATOM 529 NE ARG A 37 55.690 19.960 6.190 1.00 5.71 N ATOM 530 CZ ARG A 37 56.831 20.361 6.742 1.00 5.49 C ATOM 531 NH1 ARG A 37 56.913 20.507 8.037 1.00 4.77 N ATOM 532 NH2 ARG A 37 57.868 20.609 5.990 1.00 5.93 N ATOM 0 H ARG A 37 54.150 15.148 5.134 1.00 5.54 H new ATOM 0 HA ARG A 37 52.269 17.238 4.583 1.00 5.23 H new ATOM 0 HB2 ARG A 37 54.372 17.520 5.921 1.00 5.44 H new ATOM 0 HB3 ARG A 37 55.325 17.174 4.492 1.00 5.44 H new ATOM 0 HG2 ARG A 37 54.074 19.123 3.337 1.00 9.87 H new ATOM 0 HG3 ARG A 37 53.430 19.535 4.914 1.00 9.87 H new ATOM 0 HD2 ARG A 37 56.422 19.224 4.368 1.00 7.40 H new ATOM 0 HD3 ARG A 37 55.588 20.762 4.256 1.00 7.40 H new ATOM 0 HE ARG A 37 54.885 19.769 6.786 1.00 5.71 H new ATOM 0 HH11 ARG A 37 56.102 20.313 8.624 1.00 4.77 H new ATOM 0 HH12 ARG A 37 57.788 20.815 8.461 1.00 4.77 H new ATOM 0 HH21 ARG A 37 57.803 20.495 4.978 1.00 5.93 H new ATOM 0 HH22 ARG A 37 58.743 20.917 6.414 1.00 5.93 H new ATOM 546 N SER A 38 53.960 15.911 2.119 1.00 5.82 N ATOM 547 CA SER A 38 54.081 15.870 0.666 1.00 6.44 C ATOM 548 C SER A 38 52.895 15.136 0.049 1.00 7.83 C ATOM 549 O SER A 38 52.662 15.217 -1.157 1.00 7.95 O ATOM 550 CB SER A 38 55.380 15.166 0.271 1.00 5.05 C ATOM 551 OG SER A 38 55.529 15.215 -1.142 1.00 8.15 O ATOM 0 H SER A 38 54.446 15.160 2.608 1.00 5.82 H new ATOM 0 HA SER A 38 54.094 16.894 0.292 1.00 6.44 H new ATOM 0 HB2 SER A 38 56.230 15.647 0.755 1.00 5.05 H new ATOM 0 HB3 SER A 38 55.364 14.131 0.611 1.00 5.05 H new ATOM 0 HG SER A 38 54.645 15.196 -1.565 1.00 8.15 H new ATOM 557 N LEU A 39 52.148 14.422 0.885 1.00 7.89 N ATOM 558 CA LEU A 39 50.987 13.678 0.410 1.00 8.71 C ATOM 559 C LEU A 39 49.783 14.602 0.259 1.00 8.85 C ATOM 560 O LEU A 39 48.666 14.146 0.013 1.00 8.85 O ATOM 561 CB LEU A 39 50.650 12.553 1.391 1.00 9.15 C ATOM 562 CG LEU A 39 51.115 11.215 0.814 1.00 8.10 C ATOM 563 CD1 LEU A 39 52.641 11.209 0.701 1.00 10.10 C ATOM 564 CD2 LEU A 39 50.669 10.080 1.738 1.00 12.78 C ATOM 0 H LEU A 39 52.324 14.343 1.887 1.00 7.89 H new ATOM 0 HA LEU A 39 51.227 13.251 -0.564 1.00 8.71 H new ATOM 0 HB2 LEU A 39 51.135 12.735 2.350 1.00 9.15 H new ATOM 0 HB3 LEU A 39 49.576 12.527 1.576 1.00 9.15 H new ATOM 0 HG LEU A 39 50.677 11.074 -0.174 1.00 8.10 H new ATOM 0 HD11 LEU A 39 52.972 10.255 0.290 1.00 10.10 H new ATOM 0 HD12 LEU A 39 52.960 12.018 0.044 1.00 10.10 H new ATOM 0 HD13 LEU A 39 53.080 11.350 1.689 1.00 10.10 H new ATOM 0 HD21 LEU A 39 51.000 9.126 1.328 1.00 12.78 H new ATOM 0 HD22 LEU A 39 51.107 10.222 2.726 1.00 12.78 H new ATOM 0 HD23 LEU A 39 49.582 10.083 1.819 1.00 12.78 H new ATOM 576 N GLY A 40 50.018 15.901 0.409 1.00 9.60 N ATOM 577 CA GLY A 40 48.944 16.881 0.286 1.00 8.71 C ATOM 578 C GLY A 40 48.234 17.081 1.621 1.00 8.84 C ATOM 579 O GLY A 40 47.234 17.794 1.702 1.00 8.80 O ATOM 0 H GLY A 40 50.935 16.298 0.614 1.00 9.60 H new ATOM 0 HA2 GLY A 40 49.351 17.831 -0.060 1.00 8.71 H new ATOM 0 HA3 GLY A 40 48.228 16.549 -0.465 1.00 8.71 H new ATOM 583 N GLN A 41 48.757 16.447 2.665 1.00 9.43 N ATOM 584 CA GLN A 41 48.164 16.562 3.992 1.00 9.39 C ATOM 585 C GLN A 41 48.935 17.570 4.839 1.00 9.13 C ATOM 586 O GLN A 41 50.136 17.765 4.648 1.00 9.37 O ATOM 587 CB GLN A 41 48.169 15.199 4.687 1.00 9.54 C ATOM 588 CG GLN A 41 46.796 14.542 4.531 1.00 14.07 C ATOM 589 CD GLN A 41 45.845 15.062 5.603 1.00 18.80 C ATOM 590 OE1 GLN A 41 45.733 16.272 5.801 1.00 20.35 O ATOM 591 NE2 GLN A 41 45.148 14.215 6.311 1.00 17.18 N ATOM 0 H GLN A 41 49.584 15.852 2.619 1.00 9.43 H new ATOM 0 HA GLN A 41 47.137 16.909 3.881 1.00 9.39 H new ATOM 0 HB2 GLN A 41 48.940 14.561 4.255 1.00 9.54 H new ATOM 0 HB3 GLN A 41 48.409 15.318 5.744 1.00 9.54 H new ATOM 0 HG2 GLN A 41 46.392 14.754 3.541 1.00 14.07 H new ATOM 0 HG3 GLN A 41 46.891 13.459 4.611 1.00 14.07 H new ATOM 0 HE21 GLN A 41 45.242 13.213 6.145 1.00 17.18 H new ATOM 0 HE22 GLN A 41 44.509 14.555 7.030 1.00 17.18 H new ATOM 600 N ASN A 42 48.238 18.206 5.774 0.50 9.56 N ATOM 601 CA ASN A 42 48.867 19.191 6.646 0.50 9.39 C ATOM 602 C ASN A 42 48.497 18.930 8.103 0.50 9.08 C ATOM 603 O ASN A 42 47.613 19.583 8.656 0.50 10.22 O ATOM 604 CB ASN A 42 48.419 20.600 6.249 0.50 9.34 C ATOM 605 CG ASN A 42 49.301 21.130 5.124 0.50 8.10 C ATOM 606 OD1 ASN A 42 50.287 20.492 4.754 0.50 6.34 O ATOM 607 ND2 ASN A 42 49.005 22.266 4.555 0.50 6.21 N ATOM 0 H ASN A 42 47.244 18.059 5.947 0.50 9.56 H new ATOM 0 HA ASN A 42 49.948 19.108 6.537 0.50 9.39 H new ATOM 0 HB2 ASN A 42 47.377 20.582 5.928 0.50 9.34 H new ATOM 0 HB3 ASN A 42 48.476 21.265 7.111 0.50 9.34 H new ATOM 0 HD21 ASN A 42 49.591 22.627 3.802 0.50 6.21 H new ATOM 0 HD22 ASN A 42 48.188 22.793 4.863 0.50 6.21 H new ATOM 614 N PRO A 43 49.156 17.989 8.724 1.00 8.50 N ATOM 615 CA PRO A 43 48.898 17.627 10.145 1.00 6.21 C ATOM 616 C PRO A 43 49.532 18.618 11.118 1.00 4.45 C ATOM 617 O PRO A 43 50.558 19.228 10.818 1.00 7.13 O ATOM 618 CB PRO A 43 49.533 16.244 10.280 1.00 6.33 C ATOM 619 CG PRO A 43 50.624 16.205 9.260 1.00 8.63 C ATOM 620 CD PRO A 43 50.224 17.165 8.135 1.00 8.24 C ATOM 0 HA PRO A 43 47.835 17.641 10.387 1.00 6.21 H new ATOM 0 HB2 PRO A 43 49.929 16.090 11.284 1.00 6.33 H new ATOM 0 HB3 PRO A 43 48.801 15.457 10.102 1.00 6.33 H new ATOM 0 HG2 PRO A 43 51.575 16.504 9.701 1.00 8.63 H new ATOM 0 HG3 PRO A 43 50.755 15.194 8.875 1.00 8.63 H new ATOM 0 HD2 PRO A 43 51.068 17.776 7.815 1.00 8.24 H new ATOM 0 HD3 PRO A 43 49.871 16.624 7.257 1.00 8.24 H new ATOM 628 N THR A 44 48.914 18.770 12.285 1.00 4.83 N ATOM 629 CA THR A 44 49.427 19.687 13.296 1.00 3.51 C ATOM 630 C THR A 44 50.227 18.929 14.350 1.00 2.59 C ATOM 631 O THR A 44 49.979 17.749 14.601 1.00 2.00 O ATOM 632 CB THR A 44 48.266 20.426 13.967 1.00 3.90 C ATOM 633 OG1 THR A 44 47.500 21.098 12.978 1.00 3.35 O ATOM 634 CG2 THR A 44 48.817 21.444 14.968 1.00 3.21 C ATOM 0 H THR A 44 48.064 18.274 12.553 1.00 4.83 H new ATOM 0 HA THR A 44 50.083 20.408 12.808 1.00 3.51 H new ATOM 0 HB THR A 44 47.634 19.710 14.492 1.00 3.90 H new ATOM 0 HG1 THR A 44 46.755 21.570 13.406 1.00 3.35 H new ATOM 0 HG21 THR A 44 47.990 21.970 15.445 1.00 3.21 H new ATOM 0 HG22 THR A 44 49.404 20.927 15.727 1.00 3.21 H new ATOM 0 HG23 THR A 44 49.450 22.162 14.446 1.00 3.21 H new ATOM 642 N GLU A 45 51.187 19.613 14.964 1.00 2.00 N ATOM 643 CA GLU A 45 52.018 18.992 15.989 1.00 3.60 C ATOM 644 C GLU A 45 51.158 18.194 16.964 1.00 4.17 C ATOM 645 O GLU A 45 51.593 17.175 17.500 1.00 5.52 O ATOM 646 CB GLU A 45 52.795 20.065 16.752 1.00 4.15 C ATOM 647 CG GLU A 45 53.596 20.916 15.764 1.00 7.46 C ATOM 648 CD GLU A 45 54.828 21.494 16.453 1.00 7.32 C ATOM 649 OE1 GLU A 45 54.666 22.110 17.493 1.00 16.78 O ATOM 650 OE2 GLU A 45 55.915 21.311 15.930 1.00 13.96 O ATOM 0 H GLU A 45 51.408 20.590 14.772 1.00 2.00 H new ATOM 0 HA GLU A 45 52.719 18.315 15.501 1.00 3.60 H new ATOM 0 HB2 GLU A 45 52.107 20.695 17.316 1.00 4.15 H new ATOM 0 HB3 GLU A 45 53.466 19.599 17.474 1.00 4.15 H new ATOM 0 HG2 GLU A 45 53.898 20.309 14.910 1.00 7.46 H new ATOM 0 HG3 GLU A 45 52.973 21.723 15.378 1.00 7.46 H new ATOM 657 N ALA A 46 49.935 18.664 17.188 1.00 4.80 N ATOM 658 CA ALA A 46 49.022 17.985 18.101 1.00 3.98 C ATOM 659 C ALA A 46 48.488 16.704 17.469 1.00 2.82 C ATOM 660 O ALA A 46 48.122 15.760 18.170 1.00 4.64 O ATOM 661 CB ALA A 46 47.855 18.908 18.454 1.00 3.36 C ATOM 0 H ALA A 46 49.555 19.505 16.754 1.00 4.80 H new ATOM 0 HA ALA A 46 49.569 17.728 19.008 1.00 3.98 H new ATOM 0 HB1 ALA A 46 47.178 18.394 19.136 1.00 3.36 H new ATOM 0 HB2 ALA A 46 48.236 19.810 18.933 1.00 3.36 H new ATOM 0 HB3 ALA A 46 47.318 19.179 17.545 1.00 3.36 H new ATOM 667 N GLU A 47 48.445 16.678 16.141 0.50 3.25 N ATOM 668 CA GLU A 47 47.953 15.506 15.425 0.50 4.03 C ATOM 669 C GLU A 47 49.022 14.419 15.377 0.50 2.00 C ATOM 670 O GLU A 47 48.823 13.316 15.885 0.50 2.21 O ATOM 671 CB GLU A 47 47.553 15.895 14.001 0.50 3.18 C ATOM 672 CG GLU A 47 46.693 14.786 13.391 0.50 2.62 C ATOM 673 CD GLU A 47 45.932 15.321 12.183 0.50 5.31 C ATOM 674 OE1 GLU A 47 45.297 14.527 11.508 0.50 6.18 O ATOM 675 OE2 GLU A 47 45.995 16.517 11.950 0.50 2.00 O ATOM 0 H GLU A 47 48.742 17.449 15.542 0.50 3.25 H new ATOM 0 HA GLU A 47 47.082 15.119 15.954 0.50 4.03 H new ATOM 0 HB2 GLU A 47 47.000 16.834 14.011 0.50 3.18 H new ATOM 0 HB3 GLU A 47 48.443 16.055 13.393 0.50 3.18 H new ATOM 0 HG2 GLU A 47 47.323 13.948 13.092 0.50 2.62 H new ATOM 0 HG3 GLU A 47 45.992 14.408 14.135 0.50 2.62 H new ATOM 682 N LEU A 48 50.157 14.739 14.764 1.00 2.12 N ATOM 683 CA LEU A 48 51.252 13.782 14.656 1.00 2.61 C ATOM 684 C LEU A 48 51.568 13.174 16.018 1.00 3.92 C ATOM 685 O LEU A 48 51.667 11.955 16.157 1.00 2.59 O ATOM 686 CB LEU A 48 52.498 14.474 14.101 1.00 5.42 C ATOM 687 CG LEU A 48 52.160 15.147 12.770 1.00 4.58 C ATOM 688 CD1 LEU A 48 53.409 15.828 12.210 1.00 6.65 C ATOM 689 CD2 LEU A 48 51.666 14.092 11.778 1.00 5.37 C ATOM 0 H LEU A 48 50.342 15.647 14.337 1.00 2.12 H new ATOM 0 HA LEU A 48 50.948 12.985 13.977 1.00 2.61 H new ATOM 0 HB2 LEU A 48 52.862 15.215 14.813 1.00 5.42 H new ATOM 0 HB3 LEU A 48 53.298 13.747 13.960 1.00 5.42 H new ATOM 0 HG LEU A 48 51.381 15.893 12.927 1.00 4.58 H new ATOM 0 HD11 LEU A 48 53.168 16.307 11.261 1.00 6.65 H new ATOM 0 HD12 LEU A 48 53.762 16.579 12.917 1.00 6.65 H new ATOM 0 HD13 LEU A 48 54.189 15.084 12.052 1.00 6.65 H new ATOM 0 HD21 LEU A 48 51.425 14.570 10.829 1.00 5.37 H new ATOM 0 HD22 LEU A 48 52.446 13.347 11.621 1.00 5.37 H new ATOM 0 HD23 LEU A 48 50.775 13.607 12.177 1.00 5.37 H new ATOM 701 N GLN A 49 51.725 14.032 17.021 1.00 4.04 N ATOM 702 CA GLN A 49 52.030 13.568 18.370 1.00 6.32 C ATOM 703 C GLN A 49 51.069 12.460 18.785 1.00 4.43 C ATOM 704 O GLN A 49 51.480 11.450 19.357 1.00 6.21 O ATOM 705 CB GLN A 49 51.928 14.732 19.358 1.00 5.48 C ATOM 706 CG GLN A 49 52.650 14.365 20.655 1.00 4.72 C ATOM 707 CD GLN A 49 52.054 15.146 21.822 1.00 3.92 C ATOM 708 OE1 GLN A 49 50.869 15.008 22.122 1.00 7.05 O ATOM 709 NE2 GLN A 49 52.811 15.964 22.501 1.00 2.12 N ATOM 0 H GLN A 49 51.647 15.045 16.927 1.00 4.04 H new ATOM 0 HA GLN A 49 53.046 13.173 18.378 1.00 6.32 H new ATOM 0 HB2 GLN A 49 52.369 15.630 18.925 1.00 5.48 H new ATOM 0 HB3 GLN A 49 50.882 14.958 19.563 1.00 5.48 H new ATOM 0 HG2 GLN A 49 52.561 13.294 20.840 1.00 4.72 H new ATOM 0 HG3 GLN A 49 53.714 14.586 20.564 1.00 4.72 H new ATOM 0 HE21 GLN A 49 53.793 16.077 22.250 1.00 2.12 H new ATOM 0 HE22 GLN A 49 52.420 16.491 23.282 1.00 2.12 H new ATOM 718 N ASP A 50 49.787 12.654 18.492 1.00 3.85 N ATOM 719 CA ASP A 50 48.776 11.663 18.840 1.00 5.51 C ATOM 720 C ASP A 50 48.878 10.449 17.922 1.00 4.73 C ATOM 721 O ASP A 50 48.531 9.334 18.312 1.00 3.05 O ATOM 722 CB ASP A 50 47.380 12.278 18.722 1.00 6.72 C ATOM 723 CG ASP A 50 46.319 11.223 19.016 1.00 3.36 C ATOM 724 OD1 ASP A 50 45.915 11.121 20.163 1.00 2.00 O ATOM 725 OD2 ASP A 50 45.926 10.531 18.091 1.00 3.77 O ATOM 0 H ASP A 50 49.426 13.482 18.018 1.00 3.85 H new ATOM 0 HA ASP A 50 48.946 11.343 19.868 1.00 5.51 H new ATOM 0 HB2 ASP A 50 47.280 13.110 19.419 1.00 6.72 H new ATOM 0 HB3 ASP A 50 47.235 12.682 17.720 1.00 6.72 H new ATOM 730 N MET A 51 49.357 10.673 16.703 1.00 4.95 N ATOM 731 CA MET A 51 49.501 9.589 15.738 1.00 5.39 C ATOM 732 C MET A 51 50.613 8.637 16.164 1.00 5.93 C ATOM 733 O MET A 51 50.377 7.448 16.381 1.00 8.69 O ATOM 734 CB MET A 51 49.817 10.160 14.354 1.00 6.81 C ATOM 735 CG MET A 51 49.860 9.024 13.331 1.00 6.35 C ATOM 736 SD MET A 51 49.474 9.677 11.688 1.00 10.13 S ATOM 737 CE MET A 51 47.686 9.834 11.920 1.00 13.60 C ATOM 0 H MET A 51 49.650 11.588 16.361 1.00 4.95 H new ATOM 0 HA MET A 51 48.562 9.037 15.697 1.00 5.39 H new ATOM 0 HB2 MET A 51 49.061 10.891 14.069 1.00 6.81 H new ATOM 0 HB3 MET A 51 50.774 10.682 14.374 1.00 6.81 H new ATOM 0 HG2 MET A 51 50.847 8.561 13.327 1.00 6.35 H new ATOM 0 HG3 MET A 51 49.144 8.248 13.603 1.00 6.35 H new ATOM 0 HE1 MET A 51 47.169 9.177 11.220 1.00 13.60 H new ATOM 0 HE2 MET A 51 47.426 9.554 12.941 1.00 13.60 H new ATOM 0 HE3 MET A 51 47.385 10.866 11.739 1.00 13.60 H new ATOM 747 N ILE A 52 51.826 9.167 16.283 1.00 7.65 N ATOM 748 CA ILE A 52 52.968 8.354 16.685 1.00 4.46 C ATOM 749 C ILE A 52 52.631 7.532 17.924 1.00 4.03 C ATOM 750 O ILE A 52 52.899 6.331 17.975 1.00 3.57 O ATOM 751 CB ILE A 52 54.171 9.252 16.978 1.00 6.21 C ATOM 752 CG1 ILE A 52 54.614 9.949 15.689 1.00 8.71 C ATOM 753 CG2 ILE A 52 55.323 8.403 17.519 1.00 7.56 C ATOM 754 CD1 ILE A 52 54.939 8.899 14.625 1.00 8.27 C ATOM 0 H ILE A 52 52.043 10.148 16.108 1.00 7.65 H new ATOM 0 HA ILE A 52 53.212 7.675 15.868 1.00 4.46 H new ATOM 0 HB ILE A 52 53.892 10.001 17.719 1.00 6.21 H new ATOM 0 HG12 ILE A 52 53.825 10.611 15.332 1.00 8.71 H new ATOM 0 HG13 ILE A 52 55.489 10.570 15.881 1.00 8.71 H new ATOM 0 HG21 ILE A 52 56.180 9.043 17.728 1.00 7.56 H new ATOM 0 HG22 ILE A 52 55.009 7.906 18.437 1.00 7.56 H new ATOM 0 HG23 ILE A 52 55.602 7.654 16.778 1.00 7.56 H new ATOM 0 HD11 ILE A 52 55.254 9.396 13.708 1.00 8.27 H new ATOM 0 HD12 ILE A 52 55.742 8.255 14.983 1.00 8.27 H new ATOM 0 HD13 ILE A 52 54.053 8.297 14.425 1.00 8.27 H new ATOM 766 N ASN A 53 52.041 8.185 18.920 1.00 2.63 N ATOM 767 CA ASN A 53 51.671 7.502 20.154 1.00 2.00 C ATOM 768 C ASN A 53 50.916 6.213 19.846 1.00 6.04 C ATOM 769 O ASN A 53 51.203 5.162 20.419 1.00 3.59 O ATOM 770 CB ASN A 53 50.797 8.416 21.015 1.00 9.04 C ATOM 771 CG ASN A 53 51.653 9.505 21.653 1.00 3.69 C ATOM 772 OD1 ASN A 53 52.732 9.821 21.152 1.00 2.06 O ATOM 773 ND2 ASN A 53 51.232 10.103 22.734 1.00 3.59 N ATOM 0 H ASN A 53 51.810 9.178 18.898 1.00 2.63 H new ATOM 0 HA ASN A 53 52.582 7.254 20.698 1.00 2.00 H new ATOM 0 HB2 ASN A 53 50.016 8.867 20.404 1.00 9.04 H new ATOM 0 HB3 ASN A 53 50.299 7.833 21.789 1.00 9.04 H new ATOM 0 HD21 ASN A 53 51.797 10.834 23.166 1.00 3.59 H new ATOM 0 HD22 ASN A 53 50.337 9.839 23.147 1.00 3.59 H new ATOM 780 N GLU A 54 49.948 6.302 18.940 1.00 5.74 N ATOM 781 CA GLU A 54 49.156 5.136 18.565 1.00 2.00 C ATOM 782 C GLU A 54 50.065 3.967 18.197 1.00 2.75 C ATOM 783 O GLU A 54 49.759 2.813 18.496 1.00 4.80 O ATOM 784 CB GLU A 54 48.254 5.478 17.377 1.00 2.00 C ATOM 785 CG GLU A 54 46.849 4.926 17.627 1.00 5.28 C ATOM 786 CD GLU A 54 46.097 4.799 16.307 1.00 15.98 C ATOM 787 OE1 GLU A 54 44.881 4.706 16.347 1.00 23.58 O ATOM 788 OE2 GLU A 54 46.747 4.797 15.274 1.00 23.43 O ATOM 0 H GLU A 54 49.694 7.163 18.455 1.00 5.74 H new ATOM 0 HA GLU A 54 48.540 4.848 19.417 1.00 2.00 H new ATOM 0 HB2 GLU A 54 48.212 6.558 17.238 1.00 2.00 H new ATOM 0 HB3 GLU A 54 48.665 5.054 16.461 1.00 2.00 H new ATOM 0 HG2 GLU A 54 46.913 3.953 18.114 1.00 5.28 H new ATOM 0 HG3 GLU A 54 46.305 5.586 18.303 1.00 5.28 H new ATOM 795 N VAL A 55 51.183 4.274 17.547 1.00 2.00 N ATOM 796 CA VAL A 55 52.128 3.240 17.144 1.00 3.29 C ATOM 797 C VAL A 55 53.213 3.065 18.202 1.00 5.38 C ATOM 798 O VAL A 55 53.898 2.043 18.240 1.00 3.32 O ATOM 799 CB VAL A 55 52.771 3.611 15.807 1.00 4.63 C ATOM 800 CG1 VAL A 55 53.583 2.425 15.283 1.00 7.60 C ATOM 801 CG2 VAL A 55 51.677 3.965 14.798 1.00 6.66 C ATOM 0 H VAL A 55 51.455 5.223 17.290 1.00 2.00 H new ATOM 0 HA VAL A 55 51.586 2.301 17.037 1.00 3.29 H new ATOM 0 HB VAL A 55 53.430 4.468 15.946 1.00 4.63 H new ATOM 0 HG11 VAL A 55 54.041 2.690 14.330 1.00 7.60 H new ATOM 0 HG12 VAL A 55 54.362 2.171 16.002 1.00 7.60 H new ATOM 0 HG13 VAL A 55 52.925 1.567 15.143 1.00 7.60 H new ATOM 0 HG21 VAL A 55 52.134 4.230 13.844 1.00 6.66 H new ATOM 0 HG22 VAL A 55 51.019 3.107 14.659 1.00 6.66 H new ATOM 0 HG23 VAL A 55 51.098 4.810 15.170 1.00 6.66 H new ATOM 811 N ASP A 56 53.363 4.070 19.060 1.00 4.38 N ATOM 812 CA ASP A 56 54.368 4.016 20.115 1.00 5.59 C ATOM 813 C ASP A 56 53.708 3.810 21.474 1.00 9.10 C ATOM 814 O ASP A 56 53.326 4.772 22.142 1.00 10.26 O ATOM 815 CB ASP A 56 55.179 5.314 20.130 1.00 5.02 C ATOM 816 CG ASP A 56 56.437 5.133 20.972 1.00 8.99 C ATOM 817 OD1 ASP A 56 56.480 4.188 21.743 1.00 10.72 O ATOM 818 OD2 ASP A 56 57.340 5.941 20.833 1.00 12.55 O ATOM 0 H ASP A 56 52.806 4.925 19.046 1.00 4.38 H new ATOM 0 HA ASP A 56 55.032 3.175 19.916 1.00 5.59 H new ATOM 0 HB2 ASP A 56 55.450 5.595 19.112 1.00 5.02 H new ATOM 0 HB3 ASP A 56 54.574 6.126 20.535 1.00 5.02 H new ATOM 823 N ALA A 57 53.575 2.551 21.877 1.00 9.17 N ATOM 824 CA ALA A 57 52.958 2.231 23.159 1.00 12.52 C ATOM 825 C ALA A 57 53.974 2.357 24.290 1.00 14.37 C ATOM 826 O ALA A 57 53.622 2.704 25.418 1.00 15.13 O ATOM 827 CB ALA A 57 52.400 0.807 23.129 1.00 12.36 C ATOM 0 H ALA A 57 53.883 1.741 21.339 1.00 9.17 H new ATOM 0 HA ALA A 57 52.146 2.936 23.335 1.00 12.52 H new ATOM 0 HB1 ALA A 57 51.941 0.576 24.090 1.00 12.36 H new ATOM 0 HB2 ALA A 57 51.652 0.726 22.341 1.00 12.36 H new ATOM 0 HB3 ALA A 57 53.209 0.103 22.935 1.00 12.36 H new ATOM 833 N ASP A 58 55.235 2.074 23.980 1.00 14.32 N ATOM 834 CA ASP A 58 56.294 2.160 24.979 1.00 13.48 C ATOM 835 C ASP A 58 56.743 3.606 25.162 1.00 13.08 C ATOM 836 O ASP A 58 57.493 3.921 26.086 1.00 14.09 O ATOM 837 CB ASP A 58 57.486 1.303 24.550 1.00 11.69 C ATOM 838 CG ASP A 58 57.036 0.247 23.547 1.00 12.70 C ATOM 839 OD1 ASP A 58 56.162 -0.533 23.889 1.00 6.62 O ATOM 840 OD2 ASP A 58 57.571 0.234 22.451 1.00 9.36 O ATOM 0 H ASP A 58 55.547 1.785 23.053 1.00 14.32 H new ATOM 0 HA ASP A 58 55.904 1.791 25.928 1.00 13.48 H new ATOM 0 HB2 ASP A 58 58.256 1.933 24.106 1.00 11.69 H new ATOM 0 HB3 ASP A 58 57.931 0.822 25.421 1.00 11.69 H new ATOM 845 N GLY A 59 56.279 4.481 24.275 1.00 13.64 N ATOM 846 CA GLY A 59 56.641 5.891 24.349 1.00 12.80 C ATOM 847 C GLY A 59 58.146 6.077 24.196 1.00 12.45 C ATOM 848 O GLY A 59 58.775 6.794 24.974 1.00 11.32 O ATOM 0 H GLY A 59 55.657 4.241 23.503 1.00 13.64 H new ATOM 0 HA2 GLY A 59 56.121 6.445 23.567 1.00 12.80 H new ATOM 0 HA3 GLY A 59 56.315 6.304 25.303 1.00 12.80 H new ATOM 852 N ASP A 60 58.718 5.427 23.188 1.00 10.86 N ATOM 853 CA ASP A 60 60.152 5.528 22.942 1.00 11.08 C ATOM 854 C ASP A 60 60.459 6.724 22.048 1.00 11.89 C ATOM 855 O ASP A 60 61.619 7.095 21.868 1.00 13.26 O ATOM 856 CB ASP A 60 60.660 4.247 22.277 1.00 13.03 C ATOM 857 CG ASP A 60 59.652 3.120 22.477 1.00 13.27 C ATOM 858 OD1 ASP A 60 58.477 3.357 22.254 1.00 9.09 O ATOM 859 OD2 ASP A 60 60.071 2.037 22.851 1.00 7.54 O ATOM 0 H ASP A 60 58.215 4.829 22.533 1.00 10.86 H new ATOM 0 HA ASP A 60 60.657 5.665 23.898 1.00 11.08 H new ATOM 0 HB2 ASP A 60 60.819 4.419 21.212 1.00 13.03 H new ATOM 0 HB3 ASP A 60 61.623 3.964 22.702 1.00 13.03 H new ATOM 864 N GLY A 61 59.413 7.323 21.490 1.00 11.65 N ATOM 865 CA GLY A 61 59.583 8.478 20.615 1.00 9.60 C ATOM 866 C GLY A 61 59.789 8.039 19.169 1.00 9.33 C ATOM 867 O GLY A 61 59.885 8.870 18.266 1.00 7.68 O ATOM 0 H GLY A 61 58.445 7.031 21.626 1.00 11.65 H new ATOM 0 HA2 GLY A 61 58.707 9.123 20.682 1.00 9.60 H new ATOM 0 HA3 GLY A 61 60.438 9.067 20.946 1.00 9.60 H new ATOM 871 N THR A 62 59.858 6.729 18.957 1.00 6.58 N ATOM 872 CA THR A 62 60.054 6.191 17.616 1.00 6.33 C ATOM 873 C THR A 62 59.209 4.938 17.412 1.00 7.13 C ATOM 874 O THR A 62 58.507 4.496 18.322 1.00 6.30 O ATOM 875 CB THR A 62 61.531 5.854 17.399 1.00 7.99 C ATOM 876 OG1 THR A 62 61.964 4.960 18.415 1.00 9.62 O ATOM 877 CG2 THR A 62 62.362 7.136 17.456 1.00 11.55 C ATOM 0 H THR A 62 59.782 6.025 19.691 1.00 6.58 H new ATOM 0 HA THR A 62 59.744 6.946 16.893 1.00 6.33 H new ATOM 0 HB THR A 62 61.658 5.385 16.423 1.00 7.99 H new ATOM 0 HG1 THR A 62 62.909 4.741 18.277 1.00 9.62 H new ATOM 0 HG21 THR A 62 63.414 6.895 17.301 1.00 11.55 H new ATOM 0 HG22 THR A 62 62.028 7.821 16.677 1.00 11.55 H new ATOM 0 HG23 THR A 62 62.237 7.607 18.431 1.00 11.55 H new ATOM 885 N ILE A 63 59.281 4.370 16.213 1.00 7.32 N ATOM 886 CA ILE A 63 58.517 3.167 15.901 1.00 8.34 C ATOM 887 C ILE A 63 59.451 2.025 15.515 1.00 8.66 C ATOM 888 O ILE A 63 60.453 2.233 14.831 1.00 7.62 O ATOM 889 CB ILE A 63 57.548 3.447 14.752 1.00 8.46 C ATOM 890 CG1 ILE A 63 56.534 4.507 15.189 1.00 10.06 C ATOM 891 CG2 ILE A 63 56.810 2.160 14.380 1.00 7.97 C ATOM 892 CD1 ILE A 63 55.680 4.923 13.989 1.00 9.28 C ATOM 0 H ILE A 63 59.856 4.720 15.446 1.00 7.32 H new ATOM 0 HA ILE A 63 57.954 2.877 16.788 1.00 8.34 H new ATOM 0 HB ILE A 63 58.105 3.809 13.887 1.00 8.46 H new ATOM 0 HG12 ILE A 63 55.898 4.112 15.982 1.00 10.06 H new ATOM 0 HG13 ILE A 63 57.052 5.374 15.598 1.00 10.06 H new ATOM 0 HG21 ILE A 63 56.119 2.360 13.561 1.00 7.97 H new ATOM 0 HG22 ILE A 63 57.531 1.404 14.070 1.00 7.97 H new ATOM 0 HG23 ILE A 63 56.253 1.797 15.244 1.00 7.97 H new ATOM 0 HD11 ILE A 63 54.958 5.678 14.300 1.00 9.28 H new ATOM 0 HD12 ILE A 63 56.322 5.335 13.211 1.00 9.28 H new ATOM 0 HD13 ILE A 63 55.151 4.053 13.600 1.00 9.28 H new ATOM 904 N ASP A 64 59.116 0.817 15.958 1.00 8.67 N ATOM 905 CA ASP A 64 59.932 -0.352 15.652 1.00 8.18 C ATOM 906 C ASP A 64 59.374 -1.092 14.440 1.00 5.74 C ATOM 907 O ASP A 64 58.379 -0.672 13.849 1.00 3.75 O ATOM 908 CB ASP A 64 59.967 -1.293 16.858 1.00 8.75 C ATOM 909 CG ASP A 64 60.018 -0.484 18.149 1.00 7.61 C ATOM 910 OD1 ASP A 64 59.977 0.733 18.065 1.00 11.33 O ATOM 911 OD2 ASP A 64 60.096 -1.092 19.204 1.00 9.97 O ATOM 0 H ASP A 64 58.291 0.623 16.526 1.00 8.67 H new ATOM 0 HA ASP A 64 60.944 -0.018 15.424 1.00 8.18 H new ATOM 0 HB2 ASP A 64 59.085 -1.934 16.855 1.00 8.75 H new ATOM 0 HB3 ASP A 64 60.837 -1.947 16.794 1.00 8.75 H new ATOM 916 N PHE A 65 60.021 -2.195 14.074 1.00 6.48 N ATOM 917 CA PHE A 65 59.578 -2.982 12.930 1.00 6.44 C ATOM 918 C PHE A 65 58.482 -3.975 13.331 1.00 6.12 C ATOM 919 O PHE A 65 57.477 -4.103 12.630 1.00 4.44 O ATOM 920 CB PHE A 65 60.768 -3.725 12.309 1.00 5.02 C ATOM 921 CG PHE A 65 60.289 -4.994 11.643 1.00 5.00 C ATOM 922 CD1 PHE A 65 59.440 -4.922 10.531 1.00 7.40 C ATOM 923 CD2 PHE A 65 60.693 -6.240 12.135 1.00 5.31 C ATOM 924 CE1 PHE A 65 58.996 -6.096 9.912 1.00 6.56 C ATOM 925 CE2 PHE A 65 60.249 -7.415 11.516 1.00 7.32 C ATOM 926 CZ PHE A 65 59.400 -7.343 10.404 1.00 5.90 C ATOM 0 H PHE A 65 60.846 -2.561 14.549 1.00 6.48 H new ATOM 0 HA PHE A 65 59.158 -2.300 12.191 1.00 6.44 H new ATOM 0 HB2 PHE A 65 61.266 -3.087 11.580 1.00 5.02 H new ATOM 0 HB3 PHE A 65 61.502 -3.962 13.079 1.00 5.02 H new ATOM 0 HD1 PHE A 65 59.128 -3.960 10.151 1.00 7.40 H new ATOM 0 HD2 PHE A 65 61.347 -6.296 12.992 1.00 5.31 H new ATOM 0 HE1 PHE A 65 58.342 -6.040 9.055 1.00 6.56 H new ATOM 0 HE2 PHE A 65 60.561 -8.377 11.896 1.00 7.32 H new ATOM 0 HZ PHE A 65 59.057 -8.249 9.926 1.00 5.90 H new ATOM 936 N PRO A 66 58.643 -4.676 14.429 1.00 5.59 N ATOM 937 CA PRO A 66 57.627 -5.665 14.892 1.00 3.90 C ATOM 938 C PRO A 66 56.399 -4.984 15.490 1.00 4.48 C ATOM 939 O PRO A 66 55.266 -5.382 15.221 1.00 6.66 O ATOM 940 CB PRO A 66 58.369 -6.485 15.946 1.00 6.57 C ATOM 941 CG PRO A 66 59.440 -5.588 16.470 1.00 2.24 C ATOM 942 CD PRO A 66 59.796 -4.611 15.346 1.00 3.70 C ATOM 0 HA PRO A 66 57.242 -6.273 14.073 1.00 3.90 H new ATOM 0 HB2 PRO A 66 57.696 -6.800 16.744 1.00 6.57 H new ATOM 0 HB3 PRO A 66 58.793 -7.390 15.512 1.00 6.57 H new ATOM 0 HG2 PRO A 66 59.095 -5.050 17.353 1.00 2.24 H new ATOM 0 HG3 PRO A 66 60.314 -6.166 16.770 1.00 2.24 H new ATOM 0 HD2 PRO A 66 59.944 -3.601 15.729 1.00 3.70 H new ATOM 0 HD3 PRO A 66 60.720 -4.900 14.845 1.00 3.70 H new ATOM 950 N GLU A 67 56.633 -3.955 16.297 1.00 3.17 N ATOM 951 CA GLU A 67 55.536 -3.224 16.920 1.00 5.95 C ATOM 952 C GLU A 67 54.734 -2.474 15.863 1.00 6.62 C ATOM 953 O GLU A 67 53.588 -2.087 16.095 1.00 3.48 O ATOM 954 CB GLU A 67 56.084 -2.234 17.949 1.00 5.69 C ATOM 955 CG GLU A 67 56.450 -0.922 17.253 1.00 5.12 C ATOM 956 CD GLU A 67 57.209 -0.014 18.215 1.00 3.86 C ATOM 957 OE1 GLU A 67 57.776 -0.532 19.164 1.00 7.44 O ATOM 958 OE2 GLU A 67 57.211 1.185 17.990 1.00 5.11 O ATOM 0 H GLU A 67 57.564 -3.611 16.534 1.00 3.17 H new ATOM 0 HA GLU A 67 54.882 -3.938 17.421 1.00 5.95 H new ATOM 0 HB2 GLU A 67 55.340 -2.051 18.725 1.00 5.69 H new ATOM 0 HB3 GLU A 67 56.961 -2.654 18.441 1.00 5.69 H new ATOM 0 HG2 GLU A 67 57.061 -1.126 16.374 1.00 5.12 H new ATOM 0 HG3 GLU A 67 55.547 -0.422 16.904 1.00 5.12 H new ATOM 965 N PHE A 68 55.345 -2.276 14.699 1.00 6.05 N ATOM 966 CA PHE A 68 54.683 -1.574 13.606 1.00 4.52 C ATOM 967 C PHE A 68 53.609 -2.458 12.980 1.00 3.96 C ATOM 968 O PHE A 68 52.645 -1.961 12.397 1.00 5.29 O ATOM 969 CB PHE A 68 55.708 -1.180 12.541 1.00 4.53 C ATOM 970 CG PHE A 68 54.988 -0.697 11.304 1.00 2.68 C ATOM 971 CD1 PHE A 68 54.048 0.336 11.400 1.00 8.58 C ATOM 972 CD2 PHE A 68 55.262 -1.282 10.062 1.00 2.58 C ATOM 973 CE1 PHE A 68 53.381 0.784 10.253 1.00 5.36 C ATOM 974 CE2 PHE A 68 54.595 -0.834 8.915 1.00 7.42 C ATOM 975 CZ PHE A 68 53.655 0.199 9.011 1.00 2.84 C ATOM 0 H PHE A 68 56.293 -2.590 14.489 1.00 6.05 H new ATOM 0 HA PHE A 68 54.213 -0.675 14.005 1.00 4.52 H new ATOM 0 HB2 PHE A 68 56.363 -0.397 12.923 1.00 4.53 H new ATOM 0 HB3 PHE A 68 56.341 -2.033 12.297 1.00 4.53 H new ATOM 0 HD1 PHE A 68 53.837 0.787 12.358 1.00 8.58 H new ATOM 0 HD2 PHE A 68 55.988 -2.079 9.988 1.00 2.58 H new ATOM 0 HE1 PHE A 68 52.655 1.581 10.327 1.00 5.36 H new ATOM 0 HE2 PHE A 68 54.806 -1.285 7.957 1.00 7.42 H new ATOM 0 HZ PHE A 68 53.141 0.545 8.126 1.00 2.84 H new ATOM 985 N LEU A 69 53.778 -3.769 13.113 1.00 3.21 N ATOM 986 CA LEU A 69 52.814 -4.715 12.565 1.00 2.17 C ATOM 987 C LEU A 69 51.647 -4.900 13.529 1.00 2.00 C ATOM 988 O LEU A 69 50.519 -5.161 13.112 1.00 4.25 O ATOM 989 CB LEU A 69 53.490 -6.065 12.316 1.00 4.14 C ATOM 990 CG LEU A 69 54.265 -6.015 10.997 1.00 4.19 C ATOM 991 CD1 LEU A 69 55.702 -6.487 11.230 1.00 3.81 C ATOM 992 CD2 LEU A 69 53.590 -6.932 9.973 1.00 9.43 C ATOM 0 H LEU A 69 54.569 -4.199 13.593 1.00 3.21 H new ATOM 0 HA LEU A 69 52.437 -4.319 11.622 1.00 2.17 H new ATOM 0 HB2 LEU A 69 54.166 -6.302 13.138 1.00 4.14 H new ATOM 0 HB3 LEU A 69 52.742 -6.857 12.280 1.00 4.14 H new ATOM 0 HG LEU A 69 54.274 -4.992 10.621 1.00 4.19 H new ATOM 0 HD11 LEU A 69 56.254 -6.451 10.291 1.00 3.81 H new ATOM 0 HD12 LEU A 69 56.185 -5.837 11.959 1.00 3.81 H new ATOM 0 HD13 LEU A 69 55.692 -7.510 11.606 1.00 3.81 H new ATOM 0 HD21 LEU A 69 54.142 -6.897 9.034 1.00 9.43 H new ATOM 0 HD22 LEU A 69 53.581 -7.955 10.350 1.00 9.43 H new ATOM 0 HD23 LEU A 69 52.566 -6.598 9.805 1.00 9.43 H new ATOM 1004 N THR A 70 51.928 -4.763 14.822 1.00 3.70 N ATOM 1005 CA THR A 70 50.895 -4.918 15.839 1.00 5.12 C ATOM 1006 C THR A 70 49.830 -3.836 15.691 1.00 5.47 C ATOM 1007 O THR A 70 48.642 -4.133 15.567 1.00 6.71 O ATOM 1008 CB THR A 70 51.518 -4.835 17.234 1.00 6.65 C ATOM 1009 OG1 THR A 70 52.824 -5.394 17.201 1.00 7.41 O ATOM 1010 CG2 THR A 70 50.654 -5.611 18.229 1.00 7.53 C ATOM 0 H THR A 70 52.855 -4.547 15.187 1.00 3.70 H new ATOM 0 HA THR A 70 50.427 -5.893 15.708 1.00 5.12 H new ATOM 0 HB THR A 70 51.576 -3.792 17.545 1.00 6.65 H new ATOM 0 HG1 THR A 70 53.225 -5.340 18.093 1.00 7.41 H new ATOM 0 HG21 THR A 70 51.099 -5.551 19.222 1.00 7.53 H new ATOM 0 HG22 THR A 70 49.653 -5.181 18.254 1.00 7.53 H new ATOM 0 HG23 THR A 70 50.593 -6.655 17.921 1.00 7.53 H new ATOM 1018 N MET A 71 50.264 -2.580 15.705 1.00 4.38 N ATOM 1019 CA MET A 71 49.338 -1.461 15.571 1.00 6.23 C ATOM 1020 C MET A 71 48.402 -1.679 14.386 1.00 7.97 C ATOM 1021 O MET A 71 47.195 -1.460 14.488 1.00 7.91 O ATOM 1022 CB MET A 71 50.117 -0.159 15.375 1.00 7.76 C ATOM 1023 CG MET A 71 49.149 0.962 14.992 1.00 9.30 C ATOM 1024 SD MET A 71 49.343 1.352 13.235 1.00 11.86 S ATOM 1025 CE MET A 71 47.591 1.618 12.868 1.00 11.60 C ATOM 0 H MET A 71 51.243 -2.312 15.807 1.00 4.38 H new ATOM 0 HA MET A 71 48.743 -1.395 16.482 1.00 6.23 H new ATOM 0 HB2 MET A 71 50.647 0.101 16.291 1.00 7.76 H new ATOM 0 HB3 MET A 71 50.869 -0.286 14.596 1.00 7.76 H new ATOM 0 HG2 MET A 71 48.123 0.657 15.197 1.00 9.30 H new ATOM 0 HG3 MET A 71 49.344 1.848 15.596 1.00 9.30 H new ATOM 0 HE1 MET A 71 47.475 1.876 11.815 1.00 11.60 H new ATOM 0 HE2 MET A 71 47.032 0.707 13.083 1.00 11.60 H new ATOM 0 HE3 MET A 71 47.209 2.432 13.485 1.00 11.60 H new ATOM 1035 N MET A 72 48.967 -2.110 13.263 1.00 9.49 N ATOM 1036 CA MET A 72 48.172 -2.353 12.064 1.00 9.20 C ATOM 1037 C MET A 72 47.453 -3.695 12.158 1.00 8.73 C ATOM 1038 O MET A 72 46.291 -3.816 11.769 1.00 8.56 O ATOM 1039 CB MET A 72 49.075 -2.341 10.829 1.00 11.85 C ATOM 1040 CG MET A 72 49.358 -0.896 10.416 1.00 12.33 C ATOM 1041 SD MET A 72 47.927 -0.230 9.529 1.00 22.32 S ATOM 1042 CE MET A 72 48.714 -0.086 7.906 1.00 15.46 C ATOM 0 H MET A 72 49.964 -2.297 13.158 1.00 9.49 H new ATOM 0 HA MET A 72 47.427 -1.562 11.978 1.00 9.20 H new ATOM 0 HB2 MET A 72 50.010 -2.858 11.044 1.00 11.85 H new ATOM 0 HB3 MET A 72 48.595 -2.877 10.010 1.00 11.85 H new ATOM 0 HG2 MET A 72 49.568 -0.289 11.297 1.00 12.33 H new ATOM 0 HG3 MET A 72 50.244 -0.855 9.782 1.00 12.33 H new ATOM 0 HE1 MET A 72 47.997 0.314 7.188 1.00 15.46 H new ATOM 0 HE2 MET A 72 49.571 0.584 7.975 1.00 15.46 H new ATOM 0 HE3 MET A 72 49.049 -1.069 7.575 1.00 15.46 H new ATOM 1052 N ALA A 73 48.151 -4.700 12.676 1.00 8.08 N ATOM 1053 CA ALA A 73 47.568 -6.030 12.815 1.00 7.41 C ATOM 1054 C ALA A 73 46.402 -6.006 13.798 1.00 8.06 C ATOM 1055 O ALA A 73 45.284 -6.395 13.460 1.00 5.90 O ATOM 1056 CB ALA A 73 48.630 -7.017 13.304 1.00 9.15 C ATOM 0 H ALA A 73 49.113 -4.621 13.004 1.00 8.08 H new ATOM 0 HA ALA A 73 47.198 -6.347 11.840 1.00 7.41 H new ATOM 0 HB1 ALA A 73 48.187 -8.008 13.405 1.00 9.15 H new ATOM 0 HB2 ALA A 73 49.448 -7.057 12.585 1.00 9.15 H new ATOM 0 HB3 ALA A 73 49.013 -6.690 14.271 1.00 9.15 H new ATOM 1062 N ARG A 74 46.671 -5.546 15.016 1.00 7.07 N ATOM 1063 CA ARG A 74 45.636 -5.476 16.040 1.00 10.51 C ATOM 1064 C ARG A 74 44.351 -4.888 15.465 1.00 13.70 C ATOM 1065 O ARG A 74 43.253 -5.350 15.774 1.00 13.80 O ATOM 1066 CB ARG A 74 46.116 -4.614 17.210 1.00 9.06 C ATOM 1067 CG ARG A 74 45.572 -5.183 18.521 1.00 8.61 C ATOM 1068 CD ARG A 74 45.934 -4.246 19.674 1.00 8.72 C ATOM 1069 NE ARG A 74 45.115 -4.545 20.844 1.00 7.70 N ATOM 1070 CZ ARG A 74 45.456 -4.105 22.051 1.00 10.03 C ATOM 1071 NH1 ARG A 74 44.707 -4.386 23.083 1.00 9.17 N ATOM 1072 NH2 ARG A 74 46.538 -3.393 22.205 1.00 12.90 N ATOM 0 H ARG A 74 47.589 -5.219 15.316 1.00 7.07 H new ATOM 0 HA ARG A 74 45.432 -6.487 16.393 1.00 10.51 H new ATOM 0 HB2 ARG A 74 47.205 -4.591 17.236 1.00 9.06 H new ATOM 0 HB3 ARG A 74 45.779 -3.586 17.080 1.00 9.06 H new ATOM 0 HG2 ARG A 74 44.490 -5.298 18.458 1.00 8.61 H new ATOM 0 HG3 ARG A 74 45.988 -6.174 18.700 1.00 8.61 H new ATOM 0 HD2 ARG A 74 46.990 -4.355 19.923 1.00 8.72 H new ATOM 0 HD3 ARG A 74 45.783 -3.210 19.371 1.00 8.72 H new ATOM 0 HE ARG A 74 44.267 -5.101 20.734 1.00 7.70 H new ATOM 0 HH11 ARG A 74 43.861 -4.943 22.963 1.00 9.17 H new ATOM 0 HH12 ARG A 74 44.968 -4.049 24.010 1.00 9.17 H new ATOM 0 HH21 ARG A 74 47.123 -3.173 21.399 1.00 12.90 H new ATOM 0 HH22 ARG A 74 46.799 -3.056 23.132 1.00 12.90 H new ATOM 1086 N LYS A 75 44.497 -3.867 14.628 1.00 16.35 N ATOM 1087 CA LYS A 75 43.340 -3.223 14.016 1.00 20.00 C ATOM 1088 C LYS A 75 42.435 -4.261 13.360 1.00 24.09 C ATOM 1089 O LYS A 75 41.216 -4.235 13.535 1.00 25.18 O ATOM 1090 CB LYS A 75 43.801 -2.210 12.966 1.00 19.04 C ATOM 1091 CG LYS A 75 42.638 -1.284 12.604 1.00 19.89 C ATOM 1092 CD LYS A 75 42.571 -0.131 13.607 1.00 18.07 C ATOM 1093 CE LYS A 75 41.625 0.950 13.080 1.00 18.98 C ATOM 1094 NZ LYS A 75 41.249 1.866 14.193 1.00 19.67 N ATOM 0 H LYS A 75 45.397 -3.470 14.359 1.00 16.35 H new ATOM 0 HA LYS A 75 42.779 -2.708 14.796 1.00 20.00 H new ATOM 0 HB2 LYS A 75 44.638 -1.627 13.351 1.00 19.04 H new ATOM 0 HB3 LYS A 75 44.157 -2.729 12.076 1.00 19.04 H new ATOM 0 HG2 LYS A 75 42.770 -0.894 11.595 1.00 19.89 H new ATOM 0 HG3 LYS A 75 41.701 -1.840 12.611 1.00 19.89 H new ATOM 0 HD2 LYS A 75 42.222 -0.495 14.573 1.00 18.07 H new ATOM 0 HD3 LYS A 75 43.566 0.286 13.764 1.00 18.07 H new ATOM 0 HE2 LYS A 75 42.107 1.511 12.280 1.00 18.98 H new ATOM 0 HE3 LYS A 75 40.732 0.491 12.655 1.00 18.98 H new ATOM 0 HZ1 LYS A 75 40.606 2.601 13.835 1.00 19.67 H new ATOM 0 HZ2 LYS A 75 40.773 1.324 14.943 1.00 19.67 H new ATOM 0 HZ3 LYS A 75 42.105 2.313 14.579 1.00 19.67 H new ATOM 1108 N MET A 76 43.038 -5.173 12.605 1.00 27.98 N ATOM 1109 CA MET A 76 42.276 -6.216 11.928 1.00 31.28 C ATOM 1110 C MET A 76 41.538 -7.084 12.942 1.00 33.28 C ATOM 1111 O MET A 76 40.430 -7.553 12.682 1.00 34.71 O ATOM 1112 CB MET A 76 43.213 -7.089 11.092 1.00 31.71 C ATOM 1113 CG MET A 76 43.971 -6.213 10.093 1.00 33.18 C ATOM 1114 SD MET A 76 42.929 -5.909 8.645 1.00 34.79 S ATOM 1115 CE MET A 76 43.119 -7.539 7.882 1.00 33.37 C ATOM 0 H MET A 76 44.045 -5.212 12.447 1.00 27.98 H new ATOM 0 HA MET A 76 41.545 -5.739 11.275 1.00 31.28 H new ATOM 0 HB2 MET A 76 43.916 -7.611 11.741 1.00 31.71 H new ATOM 0 HB3 MET A 76 42.641 -7.851 10.563 1.00 31.71 H new ATOM 0 HG2 MET A 76 44.249 -5.268 10.559 1.00 33.18 H new ATOM 0 HG3 MET A 76 44.896 -6.704 9.792 1.00 33.18 H new ATOM 0 HE1 MET A 76 43.546 -7.427 6.885 1.00 33.37 H new ATOM 0 HE2 MET A 76 43.781 -8.152 8.493 1.00 33.37 H new ATOM 0 HE3 MET A 76 42.144 -8.022 7.807 1.00 33.37 H new ATOM 1125 N LYS A 77 42.159 -7.293 14.098 1.00 35.40 N ATOM 1126 CA LYS A 77 41.551 -8.107 15.144 1.00 36.50 C ATOM 1127 C LYS A 77 40.800 -7.228 16.139 1.00 37.55 C ATOM 1128 O LYS A 77 40.842 -7.465 17.346 1.00 37.57 O ATOM 1129 CB LYS A 77 42.630 -8.905 15.878 1.00 36.85 C ATOM 1130 CG LYS A 77 43.184 -9.989 14.951 1.00 37.43 C ATOM 1131 CD LYS A 77 44.037 -10.967 15.761 1.00 37.60 C ATOM 1132 CE LYS A 77 45.492 -10.493 15.766 1.00 37.65 C ATOM 1133 NZ LYS A 77 46.037 -10.547 14.380 1.00 35.44 N ATOM 0 H LYS A 77 43.076 -6.913 14.333 1.00 35.40 H new ATOM 0 HA LYS A 77 40.844 -8.794 14.679 1.00 36.50 H new ATOM 0 HB2 LYS A 77 43.433 -8.241 16.199 1.00 36.85 H new ATOM 0 HB3 LYS A 77 42.213 -9.359 16.777 1.00 36.85 H new ATOM 0 HG2 LYS A 77 42.365 -10.520 14.465 1.00 37.43 H new ATOM 0 HG3 LYS A 77 43.783 -9.536 14.161 1.00 37.43 H new ATOM 0 HD2 LYS A 77 43.662 -11.034 16.782 1.00 37.60 H new ATOM 0 HD3 LYS A 77 43.971 -11.966 15.331 1.00 37.60 H new ATOM 0 HE2 LYS A 77 45.553 -9.476 16.153 1.00 37.65 H new ATOM 0 HE3 LYS A 77 46.088 -11.122 16.427 1.00 37.65 H new ATOM 0 HZ1 LYS A 77 47.046 -10.797 14.413 1.00 35.44 H new ATOM 0 HZ2 LYS A 77 45.520 -11.264 13.832 1.00 35.44 H new ATOM 0 HZ3 LYS A 77 45.925 -9.618 13.927 1.00 35.44 H new ATOM 1147 N ASP A 78 40.114 -6.213 15.623 1.00 38.44 N ATOM 1148 CA ASP A 78 39.357 -5.304 16.477 1.00 38.90 C ATOM 1149 C ASP A 78 38.267 -4.601 15.676 1.00 38.64 C ATOM 1150 O ASP A 78 38.038 -4.917 14.508 1.00 38.62 O ATOM 1151 CB ASP A 78 40.294 -4.263 17.091 1.00 39.45 C ATOM 1152 CG ASP A 78 39.659 -3.663 18.341 1.00 40.62 C ATOM 1153 OD1 ASP A 78 40.129 -2.627 18.782 1.00 41.55 O ATOM 1154 OD2 ASP A 78 38.713 -4.250 18.840 1.00 42.58 O ATOM 0 H ASP A 78 40.066 -6.000 14.627 1.00 38.44 H new ATOM 0 HA ASP A 78 38.890 -5.886 17.272 1.00 38.90 H new ATOM 0 HB2 ASP A 78 41.248 -4.725 17.344 1.00 39.45 H new ATOM 0 HB3 ASP A 78 40.503 -3.477 16.366 1.00 39.45 H new ATOM 1159 N THR A 79 37.596 -3.645 16.311 1.00 38.19 N ATOM 1160 CA THR A 79 36.531 -2.903 15.647 1.00 37.86 C ATOM 1161 C THR A 79 37.111 -1.934 14.621 1.00 37.73 C ATOM 1162 O THR A 79 38.304 -1.631 14.645 1.00 37.97 O ATOM 1163 CB THR A 79 35.714 -2.125 16.681 1.00 37.85 C ATOM 1164 OG1 THR A 79 36.542 -1.150 17.300 1.00 37.57 O ATOM 1165 CG2 THR A 79 35.177 -3.088 17.740 1.00 38.40 C ATOM 0 H THR A 79 37.769 -3.368 17.277 1.00 38.19 H new ATOM 0 HA THR A 79 35.885 -3.614 15.133 1.00 37.86 H new ATOM 0 HB THR A 79 34.878 -1.631 16.186 1.00 37.85 H new ATOM 0 HG1 THR A 79 36.020 -0.650 17.961 1.00 37.57 H new ATOM 0 HG21 THR A 79 34.595 -2.532 18.476 1.00 38.40 H new ATOM 0 HG22 THR A 79 34.542 -3.835 17.264 1.00 38.40 H new ATOM 0 HG23 THR A 79 36.011 -3.584 18.237 1.00 38.40 H new ATOM 1173 N ASP A 80 36.260 -1.453 13.722 1.00 36.93 N ATOM 1174 CA ASP A 80 36.699 -0.519 12.691 1.00 35.96 C ATOM 1175 C ASP A 80 35.888 0.771 12.756 1.00 34.62 C ATOM 1176 O ASP A 80 34.707 0.756 13.102 1.00 34.15 O ATOM 1177 CB ASP A 80 36.542 -1.155 11.309 1.00 36.21 C ATOM 1178 CG ASP A 80 37.846 -1.826 10.893 1.00 36.84 C ATOM 1179 OD1 ASP A 80 38.085 -1.924 9.700 1.00 37.34 O ATOM 1180 OD2 ASP A 80 38.587 -2.234 11.772 1.00 37.51 O ATOM 0 H ASP A 80 35.269 -1.692 13.685 1.00 36.93 H new ATOM 0 HA ASP A 80 37.749 -0.283 12.864 1.00 35.96 H new ATOM 0 HB2 ASP A 80 35.736 -1.888 11.326 1.00 36.21 H new ATOM 0 HB3 ASP A 80 36.266 -0.394 10.579 1.00 36.21 H new ATOM 1185 N SER A 81 36.530 1.885 12.419 1.00 33.12 N ATOM 1186 CA SER A 81 35.858 3.179 12.443 1.00 32.50 C ATOM 1187 C SER A 81 35.732 3.743 11.031 1.00 31.96 C ATOM 1188 O SER A 81 36.730 4.091 10.400 1.00 32.51 O ATOM 1189 CB SER A 81 36.641 4.158 13.317 1.00 32.54 C ATOM 1190 OG SER A 81 38.015 4.117 12.953 1.00 31.58 O ATOM 0 H SER A 81 37.507 1.918 12.128 1.00 33.12 H new ATOM 0 HA SER A 81 34.860 3.041 12.858 1.00 32.50 H new ATOM 0 HB2 SER A 81 36.250 5.168 13.192 1.00 32.54 H new ATOM 0 HB3 SER A 81 36.524 3.898 14.369 1.00 32.54 H new ATOM 0 HG SER A 81 38.095 4.124 11.976 1.00 31.58 H new ATOM 1196 N GLU A 82 34.500 3.831 10.541 1.00 30.82 N ATOM 1197 CA GLU A 82 34.255 4.354 9.202 1.00 29.89 C ATOM 1198 C GLU A 82 34.766 5.787 9.086 1.00 28.70 C ATOM 1199 O GLU A 82 34.847 6.340 7.989 1.00 28.16 O ATOM 1200 CB GLU A 82 32.758 4.317 8.892 1.00 30.37 C ATOM 1201 CG GLU A 82 31.972 4.812 10.108 1.00 31.12 C ATOM 1202 CD GLU A 82 31.507 3.627 10.947 1.00 32.64 C ATOM 1203 OE1 GLU A 82 31.478 3.759 12.159 1.00 34.28 O ATOM 1204 OE2 GLU A 82 31.188 2.603 10.364 1.00 32.86 O ATOM 0 H GLU A 82 33.661 3.549 11.047 1.00 30.82 H new ATOM 0 HA GLU A 82 34.789 3.730 8.485 1.00 29.89 H new ATOM 0 HB2 GLU A 82 32.540 4.942 8.026 1.00 30.37 H new ATOM 0 HB3 GLU A 82 32.454 3.302 8.638 1.00 30.37 H new ATOM 0 HG2 GLU A 82 32.596 5.472 10.711 1.00 31.12 H new ATOM 0 HG3 GLU A 82 31.112 5.397 9.782 1.00 31.12 H new ATOM 1211 N GLU A 83 35.107 6.383 10.223 1.00 27.40 N ATOM 1212 CA GLU A 83 35.608 7.753 10.236 1.00 26.44 C ATOM 1213 C GLU A 83 36.918 7.852 9.460 1.00 24.80 C ATOM 1214 O GLU A 83 37.035 8.638 8.520 1.00 24.59 O ATOM 1215 CB GLU A 83 35.831 8.214 11.678 1.00 26.68 C ATOM 1216 CG GLU A 83 36.054 9.727 11.701 1.00 28.12 C ATOM 1217 CD GLU A 83 36.117 10.223 13.142 1.00 29.86 C ATOM 1218 OE1 GLU A 83 37.173 10.685 13.543 1.00 30.91 O ATOM 1219 OE2 GLU A 83 35.109 10.133 13.823 1.00 30.49 O ATOM 0 H GLU A 83 35.047 5.943 11.141 1.00 27.40 H new ATOM 0 HA GLU A 83 34.867 8.395 9.760 1.00 26.44 H new ATOM 0 HB2 GLU A 83 34.969 7.953 12.292 1.00 26.68 H new ATOM 0 HB3 GLU A 83 36.693 7.702 12.106 1.00 26.68 H new ATOM 0 HG2 GLU A 83 36.980 9.974 11.182 1.00 28.12 H new ATOM 0 HG3 GLU A 83 35.246 10.230 11.169 1.00 28.12 H new ATOM 1226 N GLU A 84 37.899 7.049 9.859 1.00 22.86 N ATOM 1227 CA GLU A 84 39.196 7.056 9.192 1.00 21.10 C ATOM 1228 C GLU A 84 39.044 6.685 7.721 1.00 19.58 C ATOM 1229 O GLU A 84 39.787 7.170 6.868 1.00 18.69 O ATOM 1230 CB GLU A 84 40.139 6.064 9.876 1.00 21.32 C ATOM 1231 CG GLU A 84 40.180 6.350 11.379 1.00 21.26 C ATOM 1232 CD GLU A 84 40.966 5.258 12.096 1.00 20.61 C ATOM 1233 OE1 GLU A 84 41.252 4.252 11.468 1.00 18.73 O ATOM 1234 OE2 GLU A 84 41.271 5.444 13.262 1.00 19.88 O ATOM 0 H GLU A 84 37.822 6.390 10.634 1.00 22.86 H new ATOM 0 HA GLU A 84 39.614 8.061 9.260 1.00 21.10 H new ATOM 0 HB2 GLU A 84 39.801 5.043 9.699 1.00 21.32 H new ATOM 0 HB3 GLU A 84 41.140 6.146 9.452 1.00 21.32 H new ATOM 0 HG2 GLU A 84 40.642 7.321 11.560 1.00 21.26 H new ATOM 0 HG3 GLU A 84 39.166 6.400 11.776 1.00 21.26 H new ATOM 1241 N ILE A 85 38.077 5.821 7.430 1.00 18.05 N ATOM 1242 CA ILE A 85 37.836 5.391 6.058 1.00 17.24 C ATOM 1243 C ILE A 85 37.327 6.555 5.213 1.00 15.64 C ATOM 1244 O ILE A 85 37.413 6.528 3.986 1.00 14.56 O ATOM 1245 CB ILE A 85 36.811 4.257 6.038 1.00 17.25 C ATOM 1246 CG1 ILE A 85 37.145 3.250 7.141 1.00 18.63 C ATOM 1247 CG2 ILE A 85 36.852 3.555 4.679 1.00 19.17 C ATOM 1248 CD1 ILE A 85 36.217 2.039 7.026 1.00 18.98 C ATOM 0 H ILE A 85 37.451 5.407 8.121 1.00 18.05 H new ATOM 0 HA ILE A 85 38.777 5.036 5.638 1.00 17.24 H new ATOM 0 HB ILE A 85 35.814 4.665 6.206 1.00 17.25 H new ATOM 0 HG12 ILE A 85 38.185 2.934 7.057 1.00 18.63 H new ATOM 0 HG13 ILE A 85 37.032 3.716 8.120 1.00 18.63 H new ATOM 0 HG21 ILE A 85 36.121 2.746 4.665 1.00 19.17 H new ATOM 0 HG22 ILE A 85 36.616 4.271 3.892 1.00 19.17 H new ATOM 0 HG23 ILE A 85 37.848 3.146 4.510 1.00 19.17 H new ATOM 0 HD11 ILE A 85 36.455 1.322 7.812 1.00 18.98 H new ATOM 0 HD12 ILE A 85 35.182 2.363 7.132 1.00 18.98 H new ATOM 0 HD13 ILE A 85 36.352 1.568 6.052 1.00 18.98 H new ATOM 1260 N ARG A 86 36.796 7.575 5.880 1.00 14.41 N ATOM 1261 CA ARG A 86 36.276 8.744 5.180 1.00 13.90 C ATOM 1262 C ARG A 86 37.407 9.708 4.835 1.00 12.70 C ATOM 1263 O ARG A 86 37.556 10.118 3.684 1.00 11.99 O ATOM 1264 CB ARG A 86 35.241 9.458 6.051 1.00 14.24 C ATOM 1265 CG ARG A 86 33.909 8.710 5.979 1.00 17.61 C ATOM 1266 CD ARG A 86 32.852 9.471 6.781 1.00 20.77 C ATOM 1267 NE ARG A 86 33.242 9.548 8.184 1.00 24.52 N ATOM 1268 CZ ARG A 86 32.331 9.667 9.145 1.00 25.58 C ATOM 1269 NH1 ARG A 86 32.705 9.734 10.393 1.00 26.77 N ATOM 1270 NH2 ARG A 86 31.063 9.718 8.839 1.00 26.85 N ATOM 0 H ARG A 86 36.715 7.616 6.896 1.00 14.41 H new ATOM 0 HA ARG A 86 35.803 8.411 4.256 1.00 13.90 H new ATOM 0 HB2 ARG A 86 35.589 9.504 7.083 1.00 14.24 H new ATOM 0 HB3 ARG A 86 35.112 10.486 5.712 1.00 14.24 H new ATOM 0 HG2 ARG A 86 33.591 8.611 4.941 1.00 17.61 H new ATOM 0 HG3 ARG A 86 34.025 7.701 6.375 1.00 17.61 H new ATOM 0 HD2 ARG A 86 32.730 10.475 6.375 1.00 20.77 H new ATOM 0 HD3 ARG A 86 31.887 8.971 6.691 1.00 20.77 H new ATOM 0 HE ARG A 86 34.231 9.510 8.432 1.00 24.52 H new ATOM 0 HH11 ARG A 86 33.696 9.695 10.631 1.00 26.77 H new ATOM 0 HH12 ARG A 86 32.006 9.825 11.131 1.00 26.77 H new ATOM 0 HH21 ARG A 86 30.771 9.667 7.863 1.00 26.85 H new ATOM 0 HH22 ARG A 86 30.364 9.809 9.576 1.00 26.85 H new ATOM 1284 N GLU A 87 38.199 10.066 5.840 1.00 11.87 N ATOM 1285 CA GLU A 87 39.314 10.983 5.631 1.00 11.27 C ATOM 1286 C GLU A 87 40.398 10.324 4.785 1.00 10.38 C ATOM 1287 O GLU A 87 40.804 10.858 3.753 1.00 9.38 O ATOM 1288 CB GLU A 87 39.901 11.405 6.980 1.00 11.16 C ATOM 1289 CG GLU A 87 41.348 11.861 6.787 1.00 12.67 C ATOM 1290 CD GLU A 87 41.773 12.752 7.950 1.00 13.78 C ATOM 1291 OE1 GLU A 87 42.511 12.275 8.797 1.00 15.83 O ATOM 1292 OE2 GLU A 87 41.355 13.898 7.976 1.00 16.48 O ATOM 0 H GLU A 87 38.091 9.738 6.800 1.00 11.87 H new ATOM 0 HA GLU A 87 38.944 11.863 5.104 1.00 11.27 H new ATOM 0 HB2 GLU A 87 39.308 12.213 7.410 1.00 11.16 H new ATOM 0 HB3 GLU A 87 39.862 10.572 7.682 1.00 11.16 H new ATOM 0 HG2 GLU A 87 42.006 10.994 6.723 1.00 12.67 H new ATOM 0 HG3 GLU A 87 41.445 12.405 5.847 1.00 12.67 H new ATOM 1299 N ALA A 88 40.863 9.160 5.229 1.00 9.34 N ATOM 1300 CA ALA A 88 41.901 8.437 4.503 1.00 9.01 C ATOM 1301 C ALA A 88 41.551 8.341 3.022 1.00 8.92 C ATOM 1302 O ALA A 88 42.397 8.571 2.158 1.00 8.79 O ATOM 1303 CB ALA A 88 42.060 7.031 5.084 1.00 9.91 C ATOM 0 H ALA A 88 40.541 8.701 6.081 1.00 9.34 H new ATOM 0 HA ALA A 88 42.839 8.982 4.608 1.00 9.01 H new ATOM 0 HB1 ALA A 88 42.837 6.497 4.537 1.00 9.91 H new ATOM 0 HB2 ALA A 88 42.339 7.101 6.135 1.00 9.91 H new ATOM 0 HB3 ALA A 88 41.117 6.492 4.995 1.00 9.91 H new ATOM 1309 N PHE A 89 40.299 7.999 2.735 1.00 7.54 N ATOM 1310 CA PHE A 89 39.848 7.876 1.354 1.00 7.23 C ATOM 1311 C PHE A 89 39.878 9.233 0.657 1.00 8.19 C ATOM 1312 O PHE A 89 40.079 9.315 -0.555 1.00 8.53 O ATOM 1313 CB PHE A 89 38.426 7.314 1.318 1.00 7.14 C ATOM 1314 CG PHE A 89 37.931 7.290 -0.108 1.00 5.05 C ATOM 1315 CD1 PHE A 89 37.908 6.086 -0.821 1.00 4.80 C ATOM 1316 CD2 PHE A 89 37.498 8.474 -0.718 1.00 5.56 C ATOM 1317 CE1 PHE A 89 37.450 6.064 -2.144 1.00 7.76 C ATOM 1318 CE2 PHE A 89 37.040 8.452 -2.041 1.00 2.16 C ATOM 1319 CZ PHE A 89 37.016 7.248 -2.754 1.00 6.19 C ATOM 0 H PHE A 89 39.583 7.803 3.435 1.00 7.54 H new ATOM 0 HA PHE A 89 40.521 7.197 0.831 1.00 7.23 H new ATOM 0 HB2 PHE A 89 38.410 6.308 1.737 1.00 7.14 H new ATOM 0 HB3 PHE A 89 37.766 7.926 1.933 1.00 7.14 H new ATOM 0 HD1 PHE A 89 38.244 5.174 -0.351 1.00 4.80 H new ATOM 0 HD2 PHE A 89 37.517 9.403 -0.168 1.00 5.56 H new ATOM 0 HE1 PHE A 89 37.431 5.135 -2.694 1.00 7.76 H new ATOM 0 HE2 PHE A 89 36.705 9.365 -2.511 1.00 2.16 H new ATOM 0 HZ PHE A 89 36.663 7.232 -3.775 1.00 6.19 H new ATOM 1329 N ARG A 90 39.678 10.294 1.431 1.00 8.03 N ATOM 1330 CA ARG A 90 39.685 11.644 0.879 1.00 8.76 C ATOM 1331 C ARG A 90 41.115 12.134 0.679 1.00 7.43 C ATOM 1332 O ARG A 90 41.359 13.076 -0.076 1.00 6.92 O ATOM 1333 CB ARG A 90 38.944 12.596 1.819 1.00 8.74 C ATOM 1334 CG ARG A 90 38.371 13.765 1.015 1.00 13.55 C ATOM 1335 CD ARG A 90 37.835 14.830 1.973 1.00 14.45 C ATOM 1336 NE ARG A 90 36.975 14.217 2.979 1.00 17.08 N ATOM 1337 CZ ARG A 90 37.460 13.837 4.157 1.00 17.02 C ATOM 1338 NH1 ARG A 90 36.670 13.291 5.041 1.00 17.58 N ATOM 1339 NH2 ARG A 90 38.724 14.010 4.429 1.00 17.03 N ATOM 0 H ARG A 90 39.510 10.247 2.436 1.00 8.03 H new ATOM 0 HA ARG A 90 39.182 11.624 -0.088 1.00 8.76 H new ATOM 0 HB2 ARG A 90 38.142 12.066 2.332 1.00 8.74 H new ATOM 0 HB3 ARG A 90 39.623 12.967 2.587 1.00 8.74 H new ATOM 0 HG2 ARG A 90 39.143 14.192 0.374 1.00 13.55 H new ATOM 0 HG3 ARG A 90 37.573 13.414 0.361 1.00 13.55 H new ATOM 0 HD2 ARG A 90 38.665 15.344 2.458 1.00 14.45 H new ATOM 0 HD3 ARG A 90 37.276 15.582 1.416 1.00 14.45 H new ATOM 0 HE ARG A 90 35.985 14.078 2.775 1.00 17.08 H new ATOM 0 HH11 ARG A 90 35.682 13.156 4.828 1.00 17.58 H new ATOM 0 HH12 ARG A 90 37.041 12.999 5.945 1.00 17.58 H new ATOM 0 HH21 ARG A 90 39.341 14.437 3.738 1.00 17.03 H new ATOM 0 HH22 ARG A 90 39.096 13.718 5.333 1.00 17.03 H new ATOM 1353 N VAL A 91 42.056 11.490 1.360 1.00 7.00 N ATOM 1354 CA VAL A 91 43.460 11.869 1.250 1.00 6.43 C ATOM 1355 C VAL A 91 43.982 11.592 -0.157 1.00 6.80 C ATOM 1356 O VAL A 91 44.922 12.238 -0.619 1.00 5.87 O ATOM 1357 CB VAL A 91 44.294 11.088 2.268 1.00 6.46 C ATOM 1358 CG1 VAL A 91 45.781 11.289 1.972 1.00 7.40 C ATOM 1359 CG2 VAL A 91 43.982 11.597 3.677 1.00 7.82 C ATOM 0 H VAL A 91 41.875 10.708 1.990 1.00 7.00 H new ATOM 0 HA VAL A 91 43.545 12.936 1.453 1.00 6.43 H new ATOM 0 HB VAL A 91 44.051 10.028 2.201 1.00 6.46 H new ATOM 0 HG11 VAL A 91 46.375 10.733 2.697 1.00 7.40 H new ATOM 0 HG12 VAL A 91 46.004 10.929 0.968 1.00 7.40 H new ATOM 0 HG13 VAL A 91 46.025 12.349 2.040 1.00 7.40 H new ATOM 0 HG21 VAL A 91 44.575 11.042 4.404 1.00 7.82 H new ATOM 0 HG22 VAL A 91 44.226 12.657 3.743 1.00 7.82 H new ATOM 0 HG23 VAL A 91 42.922 11.455 3.889 1.00 7.82 H new ATOM 1369 N PHE A 92 43.366 10.626 -0.831 0.50 6.77 N ATOM 1370 CA PHE A 92 43.777 10.272 -2.185 0.50 7.12 C ATOM 1371 C PHE A 92 42.920 10.999 -3.216 0.50 7.91 C ATOM 1372 O PHE A 92 43.426 11.482 -4.229 0.50 9.11 O ATOM 1373 CB PHE A 92 43.651 8.761 -2.390 0.50 7.14 C ATOM 1374 CG PHE A 92 44.709 8.052 -1.578 0.50 4.87 C ATOM 1375 CD1 PHE A 92 45.955 7.766 -2.148 0.50 6.96 C ATOM 1376 CD2 PHE A 92 44.443 7.682 -0.254 0.50 4.32 C ATOM 1377 CE1 PHE A 92 46.935 7.109 -1.395 0.50 5.48 C ATOM 1378 CE2 PHE A 92 45.423 7.024 0.499 0.50 6.74 C ATOM 1379 CZ PHE A 92 46.669 6.738 -0.071 0.50 6.55 C ATOM 0 H PHE A 92 42.587 10.078 -0.466 0.50 6.77 H new ATOM 0 HA PHE A 92 44.816 10.573 -2.318 0.50 7.12 H new ATOM 0 HB2 PHE A 92 42.659 8.424 -2.088 0.50 7.14 H new ATOM 0 HB3 PHE A 92 43.763 8.516 -3.446 0.50 7.14 H new ATOM 0 HD1 PHE A 92 46.160 8.052 -3.169 0.50 6.96 H new ATOM 0 HD2 PHE A 92 43.482 7.904 0.186 0.50 4.32 H new ATOM 0 HE1 PHE A 92 47.896 6.888 -1.835 0.50 5.48 H new ATOM 0 HE2 PHE A 92 45.218 6.737 1.520 0.50 6.74 H new ATOM 0 HZ PHE A 92 47.425 6.231 0.510 0.50 6.55 H new ATOM 1389 N ASP A 93 41.619 11.071 -2.952 1.00 8.87 N ATOM 1390 CA ASP A 93 40.700 11.740 -3.867 1.00 8.42 C ATOM 1391 C ASP A 93 40.749 13.252 -3.669 1.00 8.51 C ATOM 1392 O ASP A 93 39.794 13.854 -3.181 1.00 8.68 O ATOM 1393 CB ASP A 93 39.274 11.239 -3.631 1.00 9.10 C ATOM 1394 CG ASP A 93 38.503 11.223 -4.946 1.00 10.79 C ATOM 1395 OD1 ASP A 93 38.952 11.863 -5.882 1.00 11.11 O ATOM 1396 OD2 ASP A 93 37.473 10.571 -4.997 1.00 7.32 O ATOM 0 H ASP A 93 41.180 10.678 -2.119 1.00 8.87 H new ATOM 0 HA ASP A 93 41.003 11.510 -4.888 1.00 8.42 H new ATOM 0 HB2 ASP A 93 39.298 10.237 -3.202 1.00 9.10 H new ATOM 0 HB3 ASP A 93 38.768 11.882 -2.911 1.00 9.10 H new ATOM 1401 N LYS A 94 41.872 13.857 -4.042 1.00 9.41 N ATOM 1402 CA LYS A 94 42.040 15.298 -3.895 1.00 9.18 C ATOM 1403 C LYS A 94 40.843 16.053 -4.469 1.00 9.05 C ATOM 1404 O LYS A 94 40.624 17.220 -4.143 1.00 7.14 O ATOM 1405 CB LYS A 94 43.316 15.748 -4.609 1.00 9.58 C ATOM 1406 CG LYS A 94 44.536 15.170 -3.888 1.00 10.67 C ATOM 1407 CD LYS A 94 45.770 15.307 -4.782 1.00 11.93 C ATOM 1408 CE LYS A 94 46.993 14.746 -4.054 1.00 14.25 C ATOM 1409 NZ LYS A 94 48.233 15.220 -4.730 1.00 14.57 N ATOM 0 H LYS A 94 42.675 13.375 -4.446 1.00 9.41 H new ATOM 0 HA LYS A 94 42.113 15.523 -2.831 1.00 9.18 H new ATOM 0 HB2 LYS A 94 43.302 15.414 -5.647 1.00 9.58 H new ATOM 0 HB3 LYS A 94 43.372 16.836 -4.625 1.00 9.58 H new ATOM 0 HG2 LYS A 94 44.697 15.694 -2.946 1.00 10.67 H new ATOM 0 HG3 LYS A 94 44.365 14.121 -3.645 1.00 10.67 H new ATOM 0 HD2 LYS A 94 45.614 14.772 -5.719 1.00 11.93 H new ATOM 0 HD3 LYS A 94 45.934 16.354 -5.036 1.00 11.93 H new ATOM 0 HE2 LYS A 94 46.988 15.067 -3.012 1.00 14.25 H new ATOM 0 HE3 LYS A 94 46.961 13.656 -4.052 1.00 14.25 H new ATOM 0 HZ1 LYS A 94 49.065 14.839 -4.236 1.00 14.57 H new ATOM 0 HZ2 LYS A 94 48.237 14.893 -5.717 1.00 14.57 H new ATOM 0 HZ3 LYS A 94 48.264 16.259 -4.710 1.00 14.57 H new ATOM 1423 N ASP A 95 40.072 15.386 -5.323 1.00 7.02 N ATOM 1424 CA ASP A 95 38.903 16.016 -5.931 1.00 7.13 C ATOM 1425 C ASP A 95 37.732 16.034 -4.952 1.00 6.43 C ATOM 1426 O ASP A 95 36.742 16.733 -5.165 1.00 4.43 O ATOM 1427 CB ASP A 95 38.501 15.257 -7.196 1.00 6.49 C ATOM 1428 CG ASP A 95 39.040 15.975 -8.429 1.00 8.86 C ATOM 1429 OD1 ASP A 95 39.414 15.295 -9.370 1.00 6.70 O ATOM 1430 OD2 ASP A 95 39.072 17.195 -8.413 1.00 10.20 O ATOM 0 H ASP A 95 40.232 14.420 -5.608 1.00 7.02 H new ATOM 0 HA ASP A 95 39.161 17.043 -6.189 1.00 7.13 H new ATOM 0 HB2 ASP A 95 38.890 14.239 -7.159 1.00 6.49 H new ATOM 0 HB3 ASP A 95 37.415 15.181 -7.255 1.00 6.49 H new ATOM 1435 N GLY A 96 37.856 15.258 -3.883 1.00 5.66 N ATOM 1436 CA GLY A 96 36.805 15.185 -2.875 1.00 5.97 C ATOM 1437 C GLY A 96 35.500 14.681 -3.481 1.00 6.08 C ATOM 1438 O GLY A 96 34.444 14.749 -2.851 1.00 6.24 O ATOM 0 H GLY A 96 38.669 14.673 -3.692 1.00 5.66 H new ATOM 0 HA2 GLY A 96 37.116 14.521 -2.068 1.00 5.97 H new ATOM 0 HA3 GLY A 96 36.649 16.170 -2.435 1.00 5.97 H new ATOM 1442 N ASN A 97 35.579 14.172 -4.707 1.00 6.39 N ATOM 1443 CA ASN A 97 34.395 13.655 -5.385 1.00 5.87 C ATOM 1444 C ASN A 97 33.981 12.316 -4.783 1.00 5.88 C ATOM 1445 O ASN A 97 33.068 11.656 -5.278 1.00 5.75 O ATOM 1446 CB ASN A 97 34.681 13.481 -6.878 1.00 5.90 C ATOM 1447 CG ASN A 97 35.917 12.610 -7.076 1.00 4.39 C ATOM 1448 OD1 ASN A 97 36.614 12.291 -6.112 1.00 7.56 O ATOM 1449 ND2 ASN A 97 36.232 12.204 -8.275 1.00 7.07 N ATOM 0 H ASN A 97 36.442 14.107 -5.247 1.00 6.39 H new ATOM 0 HA ASN A 97 33.581 14.368 -5.255 1.00 5.87 H new ATOM 0 HB2 ASN A 97 33.822 13.025 -7.370 1.00 5.90 H new ATOM 0 HB3 ASN A 97 34.834 14.455 -7.343 1.00 5.90 H new ATOM 0 HD21 ASN A 97 37.057 11.621 -8.416 1.00 7.07 H new ATOM 0 HD22 ASN A 97 35.653 12.469 -9.072 1.00 7.07 H new ATOM 1456 N GLY A 98 34.661 11.926 -3.711 1.00 6.14 N ATOM 1457 CA GLY A 98 34.360 10.666 -3.041 1.00 6.32 C ATOM 1458 C GLY A 98 34.714 9.477 -3.929 1.00 7.08 C ATOM 1459 O GLY A 98 34.668 8.328 -3.490 1.00 6.67 O ATOM 0 H GLY A 98 35.420 12.460 -3.289 1.00 6.14 H new ATOM 0 HA2 GLY A 98 34.917 10.605 -2.106 1.00 6.32 H new ATOM 0 HA3 GLY A 98 33.301 10.630 -2.784 1.00 6.32 H new ATOM 1463 N TYR A 99 35.067 9.761 -5.179 0.50 7.47 N ATOM 1464 CA TYR A 99 35.426 8.704 -6.117 0.50 7.60 C ATOM 1465 C TYR A 99 36.755 9.019 -6.797 0.50 7.45 C ATOM 1466 O TYR A 99 37.033 10.169 -7.137 0.50 7.71 O ATOM 1467 CB TYR A 99 34.329 8.547 -7.174 0.50 7.79 C ATOM 1468 CG TYR A 99 34.586 9.497 -8.319 0.50 7.27 C ATOM 1469 CD1 TYR A 99 33.799 10.645 -8.466 0.50 9.00 C ATOM 1470 CD2 TYR A 99 35.611 9.229 -9.234 0.50 6.58 C ATOM 1471 CE1 TYR A 99 34.036 11.525 -9.529 0.50 5.79 C ATOM 1472 CE2 TYR A 99 35.849 10.109 -10.297 0.50 6.90 C ATOM 1473 CZ TYR A 99 35.061 11.257 -10.444 0.50 6.97 C ATOM 1474 OH TYR A 99 35.295 12.125 -11.491 0.50 5.02 O ATOM 0 H TYR A 99 35.112 10.705 -5.563 0.50 7.47 H new ATOM 0 HA TYR A 99 35.529 7.771 -5.563 0.50 7.60 H new ATOM 0 HB2 TYR A 99 34.306 7.520 -7.539 0.50 7.79 H new ATOM 0 HB3 TYR A 99 33.353 8.750 -6.732 0.50 7.79 H new ATOM 0 HD1 TYR A 99 33.009 10.852 -7.759 0.50 9.00 H new ATOM 0 HD2 TYR A 99 36.218 8.343 -9.120 0.50 6.58 H new ATOM 0 HE1 TYR A 99 33.428 12.410 -9.643 0.50 5.79 H new ATOM 0 HE2 TYR A 99 36.640 9.902 -11.003 0.50 6.90 H new ATOM 0 HH TYR A 99 36.042 11.792 -12.031 0.50 5.02 H new ATOM 1484 N ILE A 100 37.572 7.989 -6.994 1.00 6.94 N ATOM 1485 CA ILE A 100 38.870 8.166 -7.636 1.00 6.30 C ATOM 1486 C ILE A 100 38.973 7.291 -8.881 1.00 6.51 C ATOM 1487 O ILE A 100 38.714 6.089 -8.828 1.00 6.57 O ATOM 1488 CB ILE A 100 39.989 7.802 -6.659 1.00 5.54 C ATOM 1489 CG1 ILE A 100 39.765 8.530 -5.332 1.00 9.03 C ATOM 1490 CG2 ILE A 100 41.337 8.221 -7.248 1.00 4.76 C ATOM 1491 CD1 ILE A 100 40.419 7.738 -4.198 1.00 9.29 C ATOM 0 H ILE A 100 37.360 7.029 -6.721 1.00 6.94 H new ATOM 0 HA ILE A 100 38.971 9.211 -7.930 1.00 6.30 H new ATOM 0 HB ILE A 100 39.985 6.725 -6.488 1.00 5.54 H new ATOM 0 HG12 ILE A 100 40.188 9.534 -5.380 1.00 9.03 H new ATOM 0 HG13 ILE A 100 38.698 8.643 -5.143 1.00 9.03 H new ATOM 0 HG21 ILE A 100 42.135 7.962 -6.552 1.00 4.76 H new ATOM 0 HG22 ILE A 100 41.498 7.703 -8.193 1.00 4.76 H new ATOM 0 HG23 ILE A 100 41.340 9.297 -7.419 1.00 4.76 H new ATOM 0 HD11 ILE A 100 40.259 8.257 -3.253 1.00 9.29 H new ATOM 0 HD12 ILE A 100 39.975 6.744 -4.146 1.00 9.29 H new ATOM 0 HD13 ILE A 100 41.489 7.649 -4.387 1.00 9.29 H new ATOM 1503 N SER A 101 39.352 7.901 -9.999 1.00 6.74 N ATOM 1504 CA SER A 101 39.483 7.162 -11.250 1.00 4.65 C ATOM 1505 C SER A 101 40.908 6.648 -11.425 1.00 3.97 C ATOM 1506 O SER A 101 41.861 7.245 -10.924 1.00 7.02 O ATOM 1507 CB SER A 101 39.117 8.064 -12.429 1.00 3.29 C ATOM 1508 OG SER A 101 40.271 8.778 -12.850 1.00 2.08 O ATOM 0 H SER A 101 39.572 8.895 -10.065 1.00 6.74 H new ATOM 0 HA SER A 101 38.804 6.310 -11.218 1.00 4.65 H new ATOM 0 HB2 SER A 101 38.725 7.466 -13.252 1.00 3.29 H new ATOM 0 HB3 SER A 101 38.330 8.760 -12.139 1.00 3.29 H new ATOM 0 HG SER A 101 40.040 9.356 -13.607 1.00 2.08 H new ATOM 1514 N ALA A 102 41.044 5.535 -12.139 1.00 4.02 N ATOM 1515 CA ALA A 102 42.356 4.944 -12.375 1.00 4.82 C ATOM 1516 C ALA A 102 43.370 6.019 -12.755 1.00 5.07 C ATOM 1517 O ALA A 102 44.578 5.810 -12.654 1.00 6.41 O ATOM 1518 CB ALA A 102 42.267 3.906 -13.496 1.00 4.55 C ATOM 0 H ALA A 102 40.267 5.027 -12.562 1.00 4.02 H new ATOM 0 HA ALA A 102 42.685 4.460 -11.456 1.00 4.82 H new ATOM 0 HB1 ALA A 102 43.251 3.469 -13.666 1.00 4.55 H new ATOM 0 HB2 ALA A 102 41.566 3.122 -13.211 1.00 4.55 H new ATOM 0 HB3 ALA A 102 41.920 4.387 -14.411 1.00 4.55 H new ATOM 1524 N ALA A 103 42.869 7.170 -13.193 1.00 4.46 N ATOM 1525 CA ALA A 103 43.741 8.270 -13.587 1.00 3.90 C ATOM 1526 C ALA A 103 44.367 8.927 -12.360 1.00 3.42 C ATOM 1527 O ALA A 103 45.589 8.960 -12.218 1.00 5.01 O ATOM 1528 CB ALA A 103 42.944 9.312 -14.375 1.00 4.16 C ATOM 0 H ALA A 103 41.872 7.364 -13.283 1.00 4.46 H new ATOM 0 HA ALA A 103 44.537 7.869 -14.215 1.00 3.90 H new ATOM 0 HB1 ALA A 103 43.603 10.130 -14.666 1.00 4.16 H new ATOM 0 HB2 ALA A 103 42.524 8.850 -15.268 1.00 4.16 H new ATOM 0 HB3 ALA A 103 42.137 9.699 -13.753 1.00 4.16 H new ATOM 1534 N GLU A 104 43.521 9.449 -11.478 1.00 2.38 N ATOM 1535 CA GLU A 104 44.004 10.104 -10.267 1.00 2.94 C ATOM 1536 C GLU A 104 44.733 9.107 -9.372 1.00 3.92 C ATOM 1537 O GLU A 104 45.784 9.416 -8.810 1.00 4.76 O ATOM 1538 CB GLU A 104 42.830 10.717 -9.502 1.00 4.89 C ATOM 1539 CG GLU A 104 42.731 12.209 -9.826 1.00 2.54 C ATOM 1540 CD GLU A 104 41.731 12.881 -8.891 1.00 5.28 C ATOM 1541 OE1 GLU A 104 41.045 13.784 -9.340 1.00 6.84 O ATOM 1542 OE2 GLU A 104 41.666 12.482 -7.740 1.00 5.84 O ATOM 0 H GLU A 104 42.506 9.432 -11.577 1.00 2.38 H new ATOM 0 HA GLU A 104 44.700 10.891 -10.555 1.00 2.94 H new ATOM 0 HB2 GLU A 104 41.903 10.213 -9.774 1.00 4.89 H new ATOM 0 HB3 GLU A 104 42.967 10.575 -8.430 1.00 4.89 H new ATOM 0 HG2 GLU A 104 43.710 12.678 -9.723 1.00 2.54 H new ATOM 0 HG3 GLU A 104 42.421 12.345 -10.862 1.00 2.54 H new ATOM 1549 N LEU A 105 44.168 7.911 -9.242 1.00 4.80 N ATOM 1550 CA LEU A 105 44.774 6.877 -8.411 1.00 3.86 C ATOM 1551 C LEU A 105 46.262 6.748 -8.716 1.00 4.38 C ATOM 1552 O LEU A 105 47.096 6.772 -7.811 1.00 3.99 O ATOM 1553 CB LEU A 105 44.081 5.536 -8.659 1.00 3.53 C ATOM 1554 CG LEU A 105 44.196 4.663 -7.408 1.00 4.12 C ATOM 1555 CD1 LEU A 105 45.665 4.551 -6.996 1.00 4.73 C ATOM 1556 CD2 LEU A 105 43.395 5.299 -6.269 1.00 4.99 C ATOM 0 H LEU A 105 43.298 7.635 -9.698 1.00 4.80 H new ATOM 0 HA LEU A 105 44.653 7.160 -7.365 1.00 3.86 H new ATOM 0 HB2 LEU A 105 43.032 5.697 -8.908 1.00 3.53 H new ATOM 0 HB3 LEU A 105 44.537 5.031 -9.511 1.00 3.53 H new ATOM 0 HG LEU A 105 43.802 3.669 -7.621 1.00 4.12 H new ATOM 0 HD11 LEU A 105 45.746 3.929 -6.105 1.00 4.73 H new ATOM 0 HD12 LEU A 105 46.237 4.100 -7.807 1.00 4.73 H new ATOM 0 HD13 LEU A 105 46.060 5.544 -6.783 1.00 4.73 H new ATOM 0 HD21 LEU A 105 43.476 4.678 -5.377 1.00 4.99 H new ATOM 0 HD22 LEU A 105 43.790 6.293 -6.057 1.00 4.99 H new ATOM 0 HD23 LEU A 105 42.348 5.380 -6.561 1.00 4.99 H new ATOM 1568 N ARG A 106 46.589 6.609 -9.997 1.00 3.11 N ATOM 1569 CA ARG A 106 47.981 6.476 -10.410 1.00 5.25 C ATOM 1570 C ARG A 106 48.732 7.787 -10.198 1.00 4.62 C ATOM 1571 O ARG A 106 49.944 7.791 -9.982 1.00 4.29 O ATOM 1572 CB ARG A 106 48.052 6.078 -11.886 1.00 5.02 C ATOM 1573 CG ARG A 106 49.509 5.822 -12.276 1.00 5.93 C ATOM 1574 CD ARG A 106 49.557 4.905 -13.500 1.00 8.89 C ATOM 1575 NE ARG A 106 50.939 4.602 -13.850 1.00 11.71 N ATOM 1576 CZ ARG A 106 51.615 5.364 -14.703 1.00 13.93 C ATOM 1577 NH1 ARG A 106 52.852 5.072 -15.000 1.00 15.02 N ATOM 1578 NH2 ARG A 106 51.043 6.405 -15.243 1.00 15.24 N ATOM 0 H ARG A 106 45.914 6.586 -10.762 1.00 3.11 H new ATOM 0 HA ARG A 106 48.448 5.701 -9.802 1.00 5.25 H new ATOM 0 HB2 ARG A 106 47.455 5.183 -12.061 1.00 5.02 H new ATOM 0 HB3 ARG A 106 47.632 6.869 -12.507 1.00 5.02 H new ATOM 0 HG2 ARG A 106 50.009 6.765 -12.496 1.00 5.93 H new ATOM 0 HG3 ARG A 106 50.044 5.364 -11.444 1.00 5.93 H new ATOM 0 HD2 ARG A 106 49.016 3.982 -13.293 1.00 8.89 H new ATOM 0 HD3 ARG A 106 49.058 5.384 -14.342 1.00 8.89 H new ATOM 0 HE ARG A 106 51.395 3.791 -13.433 1.00 11.71 H new ATOM 0 HH11 ARG A 106 53.300 4.259 -14.577 1.00 15.02 H new ATOM 0 HH12 ARG A 106 53.371 5.657 -15.655 1.00 15.02 H new ATOM 0 HH21 ARG A 106 50.077 6.634 -15.010 1.00 15.24 H new ATOM 0 HH22 ARG A 106 51.562 6.990 -15.898 1.00 15.24 H new ATOM 1592 N HIS A 107 48.004 8.897 -10.263 1.00 5.92 N ATOM 1593 CA HIS A 107 48.612 10.209 -10.077 1.00 8.12 C ATOM 1594 C HIS A 107 49.233 10.322 -8.688 1.00 8.85 C ATOM 1595 O HIS A 107 50.356 10.801 -8.536 1.00 9.30 O ATOM 1596 CB HIS A 107 47.559 11.304 -10.257 1.00 10.37 C ATOM 1597 CG HIS A 107 48.238 12.642 -10.356 1.00 10.94 C ATOM 1598 ND1 HIS A 107 48.528 13.409 -9.238 1.00 14.82 N ATOM 1599 CD2 HIS A 107 48.690 13.363 -11.433 1.00 14.65 C ATOM 1600 CE1 HIS A 107 49.128 14.535 -9.664 1.00 15.69 C ATOM 1601 NE2 HIS A 107 49.252 14.558 -10.994 1.00 15.65 N ATOM 0 H HIS A 107 47.000 8.915 -10.442 1.00 5.92 H new ATOM 0 HA HIS A 107 49.396 10.333 -10.824 1.00 8.12 H new ATOM 0 HB2 HIS A 107 46.972 11.115 -11.156 1.00 10.37 H new ATOM 0 HB3 HIS A 107 46.865 11.298 -9.416 1.00 10.37 H new ATOM 0 HD2 HIS A 107 48.620 13.050 -12.464 1.00 14.65 H new ATOM 0 HE1 HIS A 107 49.468 15.325 -9.010 1.00 15.69 H new ATOM 0 HE2 HIS A 107 49.669 15.293 -11.565 1.00 15.65 H new ATOM 1610 N VAL A 108 48.493 9.877 -7.677 1.00 9.44 N ATOM 1611 CA VAL A 108 48.981 9.933 -6.304 1.00 9.72 C ATOM 1612 C VAL A 108 50.134 8.955 -6.102 1.00 9.70 C ATOM 1613 O VAL A 108 51.256 9.357 -5.798 1.00 10.80 O ATOM 1614 CB VAL A 108 47.848 9.596 -5.333 1.00 9.77 C ATOM 1615 CG1 VAL A 108 48.420 9.404 -3.928 1.00 8.84 C ATOM 1616 CG2 VAL A 108 46.833 10.742 -5.318 1.00 12.28 C ATOM 0 H VAL A 108 47.561 9.477 -7.781 1.00 9.44 H new ATOM 0 HA VAL A 108 49.340 10.943 -6.108 1.00 9.72 H new ATOM 0 HB VAL A 108 47.356 8.678 -5.653 1.00 9.77 H new ATOM 0 HG11 VAL A 108 47.613 9.164 -3.236 1.00 8.84 H new ATOM 0 HG12 VAL A 108 49.144 8.589 -3.938 1.00 8.84 H new ATOM 0 HG13 VAL A 108 48.912 10.322 -3.607 1.00 8.84 H new ATOM 0 HG21 VAL A 108 46.025 10.503 -4.627 1.00 12.28 H new ATOM 0 HG22 VAL A 108 47.326 11.660 -4.998 1.00 12.28 H new ATOM 0 HG23 VAL A 108 46.425 10.880 -6.319 1.00 12.28 H new ATOM 1626 N MET A 109 49.848 7.668 -6.273 0.50 9.38 N ATOM 1627 CA MET A 109 50.868 6.640 -6.106 0.50 9.31 C ATOM 1628 C MET A 109 52.064 6.917 -7.011 0.50 9.50 C ATOM 1629 O MET A 109 53.156 6.392 -6.791 0.50 9.53 O ATOM 1630 CB MET A 109 50.283 5.266 -6.438 0.50 8.72 C ATOM 1631 CG MET A 109 48.995 5.052 -5.641 0.50 8.81 C ATOM 1632 SD MET A 109 49.407 4.647 -3.926 0.50 6.87 S ATOM 1633 CE MET A 109 48.323 3.207 -3.766 0.50 6.63 C ATOM 0 H MET A 109 48.925 7.314 -6.525 0.50 9.38 H new ATOM 0 HA MET A 109 51.202 6.653 -5.069 0.50 9.31 H new ATOM 0 HB2 MET A 109 50.078 5.195 -7.506 0.50 8.72 H new ATOM 0 HB3 MET A 109 51.005 4.485 -6.199 0.50 8.72 H new ATOM 0 HG2 MET A 109 48.380 5.951 -5.676 0.50 8.81 H new ATOM 0 HG3 MET A 109 48.409 4.247 -6.085 0.50 8.81 H new ATOM 0 HE1 MET A 109 48.419 2.789 -2.764 0.50 6.63 H new ATOM 0 HE2 MET A 109 47.290 3.509 -3.936 0.50 6.63 H new ATOM 0 HE3 MET A 109 48.607 2.454 -4.502 0.50 6.63 H new ATOM 1643 N THR A 110 51.852 7.744 -8.030 1.00 10.17 N ATOM 1644 CA THR A 110 52.921 8.082 -8.962 1.00 11.15 C ATOM 1645 C THR A 110 53.951 8.989 -8.295 1.00 11.87 C ATOM 1646 O THR A 110 55.152 8.725 -8.350 1.00 11.30 O ATOM 1647 CB THR A 110 52.340 8.784 -10.192 1.00 11.33 C ATOM 1648 OG1 THR A 110 51.860 7.809 -11.107 1.00 9.45 O ATOM 1649 CG2 THR A 110 53.426 9.626 -10.863 1.00 11.67 C ATOM 0 H THR A 110 50.956 8.189 -8.230 1.00 10.17 H new ATOM 0 HA THR A 110 53.413 7.159 -9.269 1.00 11.15 H new ATOM 0 HB THR A 110 51.519 9.433 -9.887 1.00 11.33 H new ATOM 0 HG1 THR A 110 50.997 7.464 -10.795 1.00 9.45 H new ATOM 0 HG21 THR A 110 53.011 10.125 -11.738 1.00 11.67 H new ATOM 0 HG22 THR A 110 53.794 10.373 -10.160 1.00 11.67 H new ATOM 0 HG23 THR A 110 54.249 8.981 -11.170 1.00 11.67 H new ATOM 1657 N ASN A 111 53.474 10.058 -7.665 1.00 13.42 N ATOM 1658 CA ASN A 111 54.365 10.995 -6.992 1.00 14.75 C ATOM 1659 C ASN A 111 54.878 10.403 -5.684 1.00 15.38 C ATOM 1660 O ASN A 111 55.838 10.904 -5.098 1.00 14.61 O ATOM 1661 CB ASN A 111 53.627 12.305 -6.707 1.00 15.43 C ATOM 1662 CG ASN A 111 54.482 13.203 -5.820 1.00 16.39 C ATOM 1663 OD1 ASN A 111 54.346 13.180 -4.597 1.00 19.90 O ATOM 1664 ND2 ASN A 111 55.361 13.998 -6.366 1.00 21.65 N ATOM 0 H ASN A 111 52.484 10.295 -7.607 1.00 13.42 H new ATOM 0 HA ASN A 111 55.215 11.192 -7.646 1.00 14.75 H new ATOM 0 HB2 ASN A 111 53.400 12.815 -7.643 1.00 15.43 H new ATOM 0 HB3 ASN A 111 52.675 12.097 -6.218 1.00 15.43 H new ATOM 0 HD21 ASN A 111 55.937 14.602 -5.779 1.00 21.65 H new ATOM 0 HD22 ASN A 111 55.472 14.016 -7.380 1.00 21.65 H new ATOM 1671 N LEU A 112 54.231 9.334 -5.230 1.00 15.51 N ATOM 1672 CA LEU A 112 54.631 8.682 -3.989 1.00 17.09 C ATOM 1673 C LEU A 112 56.132 8.407 -3.989 1.00 17.64 C ATOM 1674 O LEU A 112 56.752 8.293 -2.932 1.00 19.20 O ATOM 1675 CB LEU A 112 53.867 7.365 -3.821 1.00 17.55 C ATOM 1676 CG LEU A 112 52.904 7.477 -2.637 1.00 18.70 C ATOM 1677 CD1 LEU A 112 53.702 7.567 -1.335 1.00 19.41 C ATOM 1678 CD2 LEU A 112 52.046 8.735 -2.796 1.00 19.55 C ATOM 0 H LEU A 112 53.434 8.904 -5.699 1.00 15.51 H new ATOM 0 HA LEU A 112 54.395 9.346 -3.158 1.00 17.09 H new ATOM 0 HB2 LEU A 112 53.314 7.135 -4.732 1.00 17.55 H new ATOM 0 HB3 LEU A 112 54.567 6.545 -3.657 1.00 17.55 H new ATOM 0 HG LEU A 112 52.261 6.598 -2.608 1.00 18.70 H new ATOM 0 HD11 LEU A 112 53.015 7.647 -0.492 1.00 19.41 H new ATOM 0 HD12 LEU A 112 54.314 6.672 -1.221 1.00 19.41 H new ATOM 0 HD13 LEU A 112 54.346 8.446 -1.363 1.00 19.41 H new ATOM 0 HD21 LEU A 112 51.359 8.816 -1.953 1.00 19.55 H new ATOM 0 HD22 LEU A 112 52.690 9.614 -2.825 1.00 19.55 H new ATOM 0 HD23 LEU A 112 51.476 8.672 -3.723 1.00 19.55 H new ATOM 1690 N GLY A 113 56.709 8.299 -5.182 1.00 18.31 N ATOM 1691 CA GLY A 113 58.138 8.035 -5.307 1.00 18.73 C ATOM 1692 C GLY A 113 58.383 6.679 -5.960 1.00 19.38 C ATOM 1693 O GLY A 113 59.527 6.288 -6.193 1.00 19.66 O ATOM 0 H GLY A 113 56.214 8.389 -6.069 1.00 18.31 H new ATOM 0 HA2 GLY A 113 58.607 8.820 -5.901 1.00 18.73 H new ATOM 0 HA3 GLY A 113 58.604 8.059 -4.322 1.00 18.73 H new ATOM 1697 N GLU A 114 57.300 5.968 -6.258 1.00 20.03 N ATOM 1698 CA GLU A 114 57.405 4.659 -6.891 1.00 20.93 C ATOM 1699 C GLU A 114 56.593 4.626 -8.181 1.00 21.67 C ATOM 1700 O GLU A 114 55.413 4.974 -8.190 1.00 21.82 O ATOM 1701 CB GLU A 114 56.898 3.575 -5.937 1.00 21.58 C ATOM 1702 CG GLU A 114 57.994 3.226 -4.929 1.00 22.38 C ATOM 1703 CD GLU A 114 58.248 4.412 -4.004 1.00 22.95 C ATOM 1704 OE1 GLU A 114 57.337 5.202 -3.824 1.00 21.15 O ATOM 1705 OE2 GLU A 114 59.350 4.511 -3.490 1.00 25.55 O ATOM 0 H GLU A 114 56.345 6.274 -6.072 1.00 20.03 H new ATOM 0 HA GLU A 114 58.452 4.471 -7.128 1.00 20.93 H new ATOM 0 HB2 GLU A 114 56.007 3.924 -5.415 1.00 21.58 H new ATOM 0 HB3 GLU A 114 56.611 2.687 -6.499 1.00 21.58 H new ATOM 0 HG2 GLU A 114 57.698 2.355 -4.344 1.00 22.38 H new ATOM 0 HG3 GLU A 114 58.912 2.961 -5.454 1.00 22.38 H new ATOM 1712 N LYS A 115 57.230 4.208 -9.270 1.00 21.94 N ATOM 1713 CA LYS A 115 56.550 4.138 -10.559 1.00 21.97 C ATOM 1714 C LYS A 115 55.816 2.810 -10.706 1.00 21.51 C ATOM 1715 O LYS A 115 56.435 1.745 -10.719 1.00 21.04 O ATOM 1716 CB LYS A 115 57.564 4.292 -11.694 1.00 22.09 C ATOM 1717 CG LYS A 115 56.843 4.740 -12.967 1.00 22.07 C ATOM 1718 CD LYS A 115 57.241 6.180 -13.301 1.00 22.17 C ATOM 1719 CE LYS A 115 56.788 6.518 -14.723 1.00 22.19 C ATOM 1720 NZ LYS A 115 55.302 6.447 -14.801 1.00 23.26 N ATOM 0 H LYS A 115 58.207 3.915 -9.287 1.00 21.94 H new ATOM 0 HA LYS A 115 55.823 4.949 -10.610 1.00 21.97 H new ATOM 0 HB2 LYS A 115 58.325 5.022 -11.419 1.00 22.09 H new ATOM 0 HB3 LYS A 115 58.077 3.346 -11.868 1.00 22.09 H new ATOM 0 HG2 LYS A 115 57.100 4.079 -13.795 1.00 22.07 H new ATOM 0 HG3 LYS A 115 55.764 4.673 -12.829 1.00 22.07 H new ATOM 0 HD2 LYS A 115 56.786 6.869 -12.589 1.00 22.17 H new ATOM 0 HD3 LYS A 115 58.321 6.300 -13.214 1.00 22.17 H new ATOM 0 HE2 LYS A 115 57.130 7.516 -14.997 1.00 22.19 H new ATOM 0 HE3 LYS A 115 57.234 5.822 -15.433 1.00 22.19 H new ATOM 0 HZ1 LYS A 115 55.022 5.579 -15.300 1.00 23.26 H new ATOM 0 HZ2 LYS A 115 54.904 6.438 -13.840 1.00 23.26 H new ATOM 0 HZ3 LYS A 115 54.942 7.275 -15.317 1.00 23.26 H new ATOM 1734 N LEU A 116 54.494 2.879 -10.818 1.00 20.82 N ATOM 1735 CA LEU A 116 53.685 1.675 -10.965 1.00 20.59 C ATOM 1736 C LEU A 116 53.102 1.590 -12.372 1.00 20.06 C ATOM 1737 O LEU A 116 52.769 2.608 -12.979 1.00 20.89 O ATOM 1738 CB LEU A 116 52.549 1.680 -9.939 1.00 21.31 C ATOM 1739 CG LEU A 116 53.002 0.954 -8.672 1.00 21.00 C ATOM 1740 CD1 LEU A 116 51.984 1.190 -7.555 1.00 23.07 C ATOM 1741 CD2 LEU A 116 53.107 -0.547 -8.956 1.00 20.55 C ATOM 0 H LEU A 116 53.963 3.750 -10.810 1.00 20.82 H new ATOM 0 HA LEU A 116 54.323 0.808 -10.795 1.00 20.59 H new ATOM 0 HB2 LEU A 116 52.264 2.705 -9.701 1.00 21.31 H new ATOM 0 HB3 LEU A 116 51.667 1.192 -10.355 1.00 21.31 H new ATOM 0 HG LEU A 116 53.975 1.336 -8.363 1.00 21.00 H new ATOM 0 HD11 LEU A 116 52.308 0.672 -6.652 1.00 23.07 H new ATOM 0 HD12 LEU A 116 51.907 2.258 -7.353 1.00 23.07 H new ATOM 0 HD13 LEU A 116 51.011 0.808 -7.863 1.00 23.07 H new ATOM 0 HD21 LEU A 116 53.430 -1.066 -8.054 1.00 20.55 H new ATOM 0 HD22 LEU A 116 52.134 -0.928 -9.265 1.00 20.55 H new ATOM 0 HD23 LEU A 116 53.832 -0.717 -9.752 1.00 20.55 H new ATOM 1753 N THR A 117 52.981 0.369 -12.884 1.00 19.20 N ATOM 1754 CA THR A 117 52.436 0.163 -14.221 1.00 18.69 C ATOM 1755 C THR A 117 50.947 0.493 -14.250 1.00 18.35 C ATOM 1756 O THR A 117 50.243 0.317 -13.255 1.00 17.96 O ATOM 1757 CB THR A 117 52.648 -1.289 -14.654 1.00 18.94 C ATOM 1758 OG1 THR A 117 52.273 -2.157 -13.593 1.00 18.27 O ATOM 1759 CG2 THR A 117 54.121 -1.511 -15.000 1.00 19.41 C ATOM 0 H THR A 117 53.251 -0.486 -12.398 1.00 19.20 H new ATOM 0 HA THR A 117 52.957 0.827 -14.911 1.00 18.69 H new ATOM 0 HB THR A 117 52.036 -1.500 -15.531 1.00 18.94 H new ATOM 0 HG1 THR A 117 52.553 -3.072 -13.804 1.00 18.27 H new ATOM 0 HG21 THR A 117 54.270 -2.546 -15.308 1.00 19.41 H new ATOM 0 HG22 THR A 117 54.408 -0.845 -15.814 1.00 19.41 H new ATOM 0 HG23 THR A 117 54.736 -1.301 -14.125 1.00 19.41 H new ATOM 1767 N ASP A 118 50.474 0.971 -15.396 1.00 17.78 N ATOM 1768 CA ASP A 118 49.066 1.321 -15.543 1.00 17.28 C ATOM 1769 C ASP A 118 48.211 0.064 -15.662 1.00 16.94 C ATOM 1770 O ASP A 118 47.137 -0.026 -15.067 1.00 16.90 O ATOM 1771 CB ASP A 118 48.872 2.193 -16.785 1.00 17.45 C ATOM 1772 CG ASP A 118 49.277 1.419 -18.034 1.00 17.24 C ATOM 1773 OD1 ASP A 118 50.465 1.213 -18.220 1.00 16.95 O ATOM 1774 OD2 ASP A 118 48.393 1.043 -18.786 1.00 18.08 O ATOM 0 H ASP A 118 51.040 1.124 -16.231 1.00 17.78 H new ATOM 0 HA ASP A 118 48.754 1.876 -14.658 1.00 17.28 H new ATOM 0 HB2 ASP A 118 47.830 2.504 -16.862 1.00 17.45 H new ATOM 0 HB3 ASP A 118 49.470 3.100 -16.700 1.00 17.45 H new ATOM 1779 N GLU A 119 48.694 -0.903 -16.435 1.00 16.47 N ATOM 1780 CA GLU A 119 47.965 -2.152 -16.625 1.00 16.08 C ATOM 1781 C GLU A 119 47.723 -2.841 -15.286 1.00 15.00 C ATOM 1782 O GLU A 119 46.753 -3.581 -15.124 1.00 14.51 O ATOM 1783 CB GLU A 119 48.755 -3.083 -17.546 1.00 16.34 C ATOM 1784 CG GLU A 119 48.523 -2.680 -19.003 1.00 17.65 C ATOM 1785 CD GLU A 119 49.541 -3.372 -19.904 1.00 18.58 C ATOM 1786 OE1 GLU A 119 49.162 -3.777 -20.990 1.00 18.43 O ATOM 1787 OE2 GLU A 119 50.684 -3.487 -19.494 1.00 20.16 O ATOM 0 H GLU A 119 49.580 -0.847 -16.937 1.00 16.47 H new ATOM 0 HA GLU A 119 47.002 -1.923 -17.081 1.00 16.08 H new ATOM 0 HB2 GLU A 119 49.817 -3.031 -17.308 1.00 16.34 H new ATOM 0 HB3 GLU A 119 48.444 -4.116 -17.390 1.00 16.34 H new ATOM 0 HG2 GLU A 119 47.512 -2.951 -19.307 1.00 17.65 H new ATOM 0 HG3 GLU A 119 48.608 -1.598 -19.108 1.00 17.65 H new ATOM 1794 N GLU A 120 48.611 -2.591 -14.329 1.00 14.19 N ATOM 1795 CA GLU A 120 48.484 -3.194 -13.007 1.00 13.46 C ATOM 1796 C GLU A 120 47.504 -2.401 -12.149 1.00 13.34 C ATOM 1797 O GLU A 120 46.750 -2.974 -11.362 1.00 13.03 O ATOM 1798 CB GLU A 120 49.850 -3.235 -12.319 1.00 13.02 C ATOM 1799 CG GLU A 120 49.760 -4.092 -11.055 1.00 11.76 C ATOM 1800 CD GLU A 120 50.489 -5.414 -11.269 1.00 11.68 C ATOM 1801 OE1 GLU A 120 49.836 -6.443 -11.218 1.00 7.04 O ATOM 1802 OE2 GLU A 120 51.690 -5.378 -11.480 1.00 10.77 O ATOM 0 H GLU A 120 49.420 -1.980 -14.442 1.00 14.19 H new ATOM 0 HA GLU A 120 48.106 -4.210 -13.126 1.00 13.46 H new ATOM 0 HB2 GLU A 120 50.598 -3.646 -12.997 1.00 13.02 H new ATOM 0 HB3 GLU A 120 50.171 -2.225 -12.064 1.00 13.02 H new ATOM 0 HG2 GLU A 120 50.198 -3.558 -10.212 1.00 11.76 H new ATOM 0 HG3 GLU A 120 48.715 -4.279 -10.806 1.00 11.76 H new ATOM 1809 N VAL A 121 47.519 -1.082 -12.307 1.00 13.10 N ATOM 1810 CA VAL A 121 46.626 -0.220 -11.541 1.00 12.97 C ATOM 1811 C VAL A 121 45.184 -0.394 -12.006 1.00 12.84 C ATOM 1812 O VAL A 121 44.265 -0.481 -11.191 1.00 13.10 O ATOM 1813 CB VAL A 121 47.044 1.242 -11.704 1.00 13.08 C ATOM 1814 CG1 VAL A 121 46.082 2.139 -10.923 1.00 12.21 C ATOM 1815 CG2 VAL A 121 48.464 1.428 -11.165 1.00 14.97 C ATOM 0 H VAL A 121 48.135 -0.589 -12.954 1.00 13.10 H new ATOM 0 HA VAL A 121 46.693 -0.501 -10.490 1.00 12.97 H new ATOM 0 HB VAL A 121 47.016 1.512 -12.760 1.00 13.08 H new ATOM 0 HG11 VAL A 121 46.380 3.181 -11.039 1.00 12.21 H new ATOM 0 HG12 VAL A 121 45.070 2.007 -11.305 1.00 12.21 H new ATOM 0 HG13 VAL A 121 46.109 1.870 -9.867 1.00 12.21 H new ATOM 0 HG21 VAL A 121 48.763 2.470 -11.280 1.00 14.97 H new ATOM 0 HG22 VAL A 121 48.491 1.158 -10.109 1.00 14.97 H new ATOM 0 HG23 VAL A 121 49.151 0.789 -11.721 1.00 14.97 H new ATOM 1825 N ASP A 122 44.993 -0.444 -13.320 1.00 13.33 N ATOM 1826 CA ASP A 122 43.658 -0.608 -13.883 1.00 13.39 C ATOM 1827 C ASP A 122 43.111 -1.997 -13.569 1.00 12.24 C ATOM 1828 O ASP A 122 42.001 -2.136 -13.054 1.00 11.31 O ATOM 1829 CB ASP A 122 43.700 -0.405 -15.398 1.00 14.42 C ATOM 1830 CG ASP A 122 42.513 -1.104 -16.052 1.00 16.19 C ATOM 1831 OD1 ASP A 122 42.739 -2.057 -16.779 1.00 20.12 O ATOM 1832 OD2 ASP A 122 41.396 -0.676 -15.816 1.00 19.51 O ATOM 0 H ASP A 122 45.740 -0.374 -14.011 1.00 13.33 H new ATOM 0 HA ASP A 122 43.002 0.139 -13.435 1.00 13.39 H new ATOM 0 HB2 ASP A 122 43.679 0.660 -15.631 1.00 14.42 H new ATOM 0 HB3 ASP A 122 44.632 -0.801 -15.800 1.00 14.42 H new ATOM 1837 N GLU A 123 43.897 -3.022 -13.883 1.00 11.13 N ATOM 1838 CA GLU A 123 43.480 -4.396 -13.630 1.00 10.29 C ATOM 1839 C GLU A 123 43.065 -4.571 -12.173 1.00 8.90 C ATOM 1840 O GLU A 123 41.948 -5.000 -11.883 1.00 7.96 O ATOM 1841 CB GLU A 123 44.626 -5.357 -13.955 1.00 10.26 C ATOM 1842 CG GLU A 123 44.145 -6.800 -13.788 1.00 12.28 C ATOM 1843 CD GLU A 123 43.015 -7.089 -14.770 1.00 13.69 C ATOM 1844 OE1 GLU A 123 42.939 -6.402 -15.775 1.00 14.38 O ATOM 1845 OE2 GLU A 123 42.241 -7.994 -14.502 1.00 15.72 O ATOM 0 H GLU A 123 44.819 -2.929 -14.310 1.00 11.13 H new ATOM 0 HA GLU A 123 42.625 -4.620 -14.268 1.00 10.29 H new ATOM 0 HB2 GLU A 123 44.973 -5.194 -14.975 1.00 10.26 H new ATOM 0 HB3 GLU A 123 45.473 -5.166 -13.296 1.00 10.26 H new ATOM 0 HG2 GLU A 123 44.972 -7.490 -13.959 1.00 12.28 H new ATOM 0 HG3 GLU A 123 43.801 -6.962 -12.767 1.00 12.28 H new ATOM 1852 N MET A 124 43.971 -4.235 -11.260 0.50 8.41 N ATOM 1853 CA MET A 124 43.687 -4.359 -9.835 0.50 7.66 C ATOM 1854 C MET A 124 42.337 -3.733 -9.501 0.50 7.37 C ATOM 1855 O MET A 124 41.425 -4.413 -9.031 0.50 7.04 O ATOM 1856 CB MET A 124 44.786 -3.673 -9.022 0.50 7.67 C ATOM 1857 CG MET A 124 46.037 -4.554 -9.007 0.50 7.34 C ATOM 1858 SD MET A 124 45.772 -5.958 -7.895 0.50 9.25 S ATOM 1859 CE MET A 124 46.752 -7.166 -8.818 0.50 9.75 C ATOM 0 H MET A 124 44.901 -3.878 -11.479 0.50 8.41 H new ATOM 0 HA MET A 124 43.655 -5.418 -9.581 0.50 7.66 H new ATOM 0 HB2 MET A 124 45.019 -2.700 -9.454 0.50 7.67 H new ATOM 0 HB3 MET A 124 44.442 -3.495 -8.003 0.50 7.67 H new ATOM 0 HG2 MET A 124 46.256 -4.910 -10.014 0.50 7.34 H new ATOM 0 HG3 MET A 124 46.900 -3.974 -8.679 0.50 7.34 H new ATOM 0 HE1 MET A 124 46.727 -8.126 -8.301 0.50 9.75 H new ATOM 0 HE2 MET A 124 46.337 -7.282 -9.819 0.50 9.75 H new ATOM 0 HE3 MET A 124 47.783 -6.819 -8.890 0.50 9.75 H new ATOM 1869 N ILE A 125 42.218 -2.432 -9.746 1.00 7.50 N ATOM 1870 CA ILE A 125 40.974 -1.723 -9.467 1.00 8.03 C ATOM 1871 C ILE A 125 39.812 -2.363 -10.220 1.00 8.46 C ATOM 1872 O ILE A 125 38.796 -2.722 -9.625 1.00 9.97 O ATOM 1873 CB ILE A 125 41.105 -0.256 -9.879 1.00 9.03 C ATOM 1874 CG1 ILE A 125 41.870 0.509 -8.797 1.00 8.72 C ATOM 1875 CG2 ILE A 125 39.712 0.354 -10.045 1.00 8.18 C ATOM 1876 CD1 ILE A 125 42.088 1.954 -9.251 1.00 11.99 C ATOM 0 H ILE A 125 42.961 -1.851 -10.134 1.00 7.50 H new ATOM 0 HA ILE A 125 40.776 -1.783 -8.397 1.00 8.03 H new ATOM 0 HB ILE A 125 41.645 -0.190 -10.824 1.00 9.03 H new ATOM 0 HG12 ILE A 125 41.312 0.491 -7.861 1.00 8.72 H new ATOM 0 HG13 ILE A 125 42.829 0.028 -8.606 1.00 8.72 H new ATOM 0 HG21 ILE A 125 39.805 1.400 -10.339 1.00 8.18 H new ATOM 0 HG22 ILE A 125 39.165 -0.192 -10.814 1.00 8.18 H new ATOM 0 HG23 ILE A 125 39.172 0.289 -9.101 1.00 8.18 H new ATOM 0 HD11 ILE A 125 42.633 2.499 -8.480 1.00 11.99 H new ATOM 0 HD12 ILE A 125 42.664 1.962 -10.177 1.00 11.99 H new ATOM 0 HD13 ILE A 125 41.123 2.432 -9.420 1.00 11.99 H new ATOM 1888 N ARG A 126 39.969 -2.503 -11.532 1.00 10.35 N ATOM 1889 CA ARG A 126 38.926 -3.101 -12.357 1.00 12.29 C ATOM 1890 C ARG A 126 38.392 -4.374 -11.707 1.00 12.05 C ATOM 1891 O ARG A 126 37.289 -4.824 -12.015 1.00 12.18 O ATOM 1892 CB ARG A 126 39.480 -3.429 -13.745 1.00 13.33 C ATOM 1893 CG ARG A 126 38.444 -4.232 -14.533 1.00 16.87 C ATOM 1894 CD ARG A 126 38.859 -4.299 -16.003 1.00 19.79 C ATOM 1895 NE ARG A 126 37.891 -5.078 -16.766 1.00 23.64 N ATOM 1896 CZ ARG A 126 38.006 -5.217 -18.083 1.00 25.37 C ATOM 1897 NH1 ARG A 126 37.126 -5.919 -18.744 1.00 25.82 N ATOM 1898 NH2 ARG A 126 38.998 -4.653 -18.715 1.00 27.23 N ATOM 0 H ARG A 126 40.802 -2.213 -12.044 1.00 10.35 H new ATOM 0 HA ARG A 126 38.110 -2.385 -12.452 1.00 12.29 H new ATOM 0 HB2 ARG A 126 39.724 -2.510 -14.277 1.00 13.33 H new ATOM 0 HB3 ARG A 126 40.404 -3.999 -13.653 1.00 13.33 H new ATOM 0 HG2 ARG A 126 38.359 -5.238 -14.122 1.00 16.87 H new ATOM 0 HG3 ARG A 126 37.462 -3.767 -14.442 1.00 16.87 H new ATOM 0 HD2 ARG A 126 38.931 -3.292 -16.414 1.00 19.79 H new ATOM 0 HD3 ARG A 126 39.848 -4.750 -16.089 1.00 19.79 H new ATOM 0 HE ARG A 126 37.112 -5.524 -16.281 1.00 23.64 H new ATOM 0 HH11 ARG A 126 36.351 -6.361 -18.250 1.00 25.82 H new ATOM 0 HH12 ARG A 126 37.214 -6.026 -19.755 1.00 25.82 H new ATOM 0 HH21 ARG A 126 39.686 -4.105 -18.199 1.00 27.23 H new ATOM 0 HH22 ARG A 126 39.086 -4.760 -19.726 1.00 27.23 H new ATOM 1912 N GLU A 127 39.183 -4.948 -10.806 1.00 11.23 N ATOM 1913 CA GLU A 127 38.779 -6.170 -10.119 1.00 11.00 C ATOM 1914 C GLU A 127 37.855 -5.846 -8.950 1.00 10.05 C ATOM 1915 O GLU A 127 36.790 -6.446 -8.803 1.00 10.87 O ATOM 1916 CB GLU A 127 40.014 -6.912 -9.605 1.00 10.54 C ATOM 1917 CG GLU A 127 39.791 -8.421 -9.728 1.00 12.15 C ATOM 1918 CD GLU A 127 40.714 -9.165 -8.769 1.00 14.58 C ATOM 1919 OE1 GLU A 127 40.374 -10.274 -8.393 1.00 15.50 O ATOM 1920 OE2 GLU A 127 41.746 -8.613 -8.425 1.00 12.21 O ATOM 0 H GLU A 127 40.099 -4.591 -10.536 1.00 11.23 H new ATOM 0 HA GLU A 127 38.243 -6.803 -10.827 1.00 11.00 H new ATOM 0 HB2 GLU A 127 40.893 -6.616 -10.177 1.00 10.54 H new ATOM 0 HB3 GLU A 127 40.205 -6.645 -8.566 1.00 10.54 H new ATOM 0 HG2 GLU A 127 38.752 -8.662 -9.506 1.00 12.15 H new ATOM 0 HG3 GLU A 127 39.981 -8.743 -10.752 1.00 12.15 H new ATOM 1927 N ALA A 128 38.269 -4.893 -8.120 1.00 9.88 N ATOM 1928 CA ALA A 128 37.469 -4.498 -6.967 1.00 9.79 C ATOM 1929 C ALA A 128 36.372 -3.524 -7.384 1.00 9.77 C ATOM 1930 O ALA A 128 35.447 -3.251 -6.618 1.00 9.01 O ATOM 1931 CB ALA A 128 38.363 -3.843 -5.912 1.00 10.50 C ATOM 0 H ALA A 128 39.147 -4.384 -8.223 1.00 9.88 H new ATOM 0 HA ALA A 128 37.005 -5.390 -6.547 1.00 9.79 H new ATOM 0 HB1 ALA A 128 37.758 -3.550 -5.054 1.00 10.50 H new ATOM 0 HB2 ALA A 128 39.128 -4.551 -5.593 1.00 10.50 H new ATOM 0 HB3 ALA A 128 38.841 -2.960 -6.337 1.00 10.50 H new ATOM 1937 N ASP A 129 36.482 -3.003 -8.601 1.00 9.64 N ATOM 1938 CA ASP A 129 35.492 -2.060 -9.109 1.00 9.00 C ATOM 1939 C ASP A 129 34.183 -2.776 -9.428 1.00 8.76 C ATOM 1940 O ASP A 129 34.000 -3.293 -10.529 1.00 10.86 O ATOM 1941 CB ASP A 129 36.022 -1.376 -10.371 1.00 7.85 C ATOM 1942 CG ASP A 129 35.065 -0.271 -10.806 1.00 9.69 C ATOM 1943 OD1 ASP A 129 35.542 0.739 -11.297 1.00 9.05 O ATOM 1944 OD2 ASP A 129 33.870 -0.452 -10.643 1.00 6.85 O ATOM 0 H ASP A 129 37.240 -3.215 -9.250 1.00 9.64 H new ATOM 0 HA ASP A 129 35.305 -1.310 -8.340 1.00 9.00 H new ATOM 0 HB2 ASP A 129 37.011 -0.958 -10.180 1.00 7.85 H new ATOM 0 HB3 ASP A 129 36.134 -2.107 -11.171 1.00 7.85 H new ATOM 1949 N ILE A 130 33.277 -2.801 -8.456 1.00 7.88 N ATOM 1950 CA ILE A 130 31.988 -3.457 -8.644 1.00 5.73 C ATOM 1951 C ILE A 130 31.337 -2.998 -9.945 1.00 5.05 C ATOM 1952 O ILE A 130 30.818 -3.810 -10.711 1.00 5.02 O ATOM 1953 CB ILE A 130 31.064 -3.138 -7.468 1.00 6.80 C ATOM 1954 CG1 ILE A 130 31.457 -3.998 -6.264 1.00 8.06 C ATOM 1955 CG2 ILE A 130 29.616 -3.441 -7.859 1.00 4.19 C ATOM 1956 CD1 ILE A 130 30.633 -3.577 -5.046 1.00 12.26 C ATOM 0 H ILE A 130 33.410 -2.378 -7.537 1.00 7.88 H new ATOM 0 HA ILE A 130 32.153 -4.533 -8.695 1.00 5.73 H new ATOM 0 HB ILE A 130 31.157 -2.083 -7.209 1.00 6.80 H new ATOM 0 HG12 ILE A 130 31.287 -5.052 -6.485 1.00 8.06 H new ATOM 0 HG13 ILE A 130 32.520 -3.884 -6.054 1.00 8.06 H new ATOM 0 HG21 ILE A 130 28.958 -3.214 -7.021 1.00 4.19 H new ATOM 0 HG22 ILE A 130 29.335 -2.830 -8.717 1.00 4.19 H new ATOM 0 HG23 ILE A 130 29.522 -4.496 -8.118 1.00 4.19 H new ATOM 0 HD11 ILE A 130 30.912 -4.189 -4.188 1.00 12.26 H new ATOM 0 HD12 ILE A 130 30.826 -2.528 -4.821 1.00 12.26 H new ATOM 0 HD13 ILE A 130 29.573 -3.714 -5.259 1.00 12.26 H new ATOM 1968 N ASP A 131 31.368 -1.691 -10.187 1.00 3.37 N ATOM 1969 CA ASP A 131 30.777 -1.136 -11.399 1.00 3.41 C ATOM 1970 C ASP A 131 31.660 -1.425 -12.608 1.00 3.42 C ATOM 1971 O ASP A 131 31.212 -1.340 -13.751 1.00 5.27 O ATOM 1972 CB ASP A 131 30.596 0.376 -11.247 1.00 3.12 C ATOM 1973 CG ASP A 131 30.167 0.708 -9.822 1.00 5.63 C ATOM 1974 OD1 ASP A 131 29.211 1.451 -9.670 1.00 7.79 O ATOM 1975 OD2 ASP A 131 30.801 0.216 -8.903 1.00 5.83 O ATOM 0 H ASP A 131 31.792 -1.002 -9.566 1.00 3.37 H new ATOM 0 HA ASP A 131 29.805 -1.605 -11.553 1.00 3.41 H new ATOM 0 HB2 ASP A 131 31.529 0.888 -11.484 1.00 3.12 H new ATOM 0 HB3 ASP A 131 29.848 0.734 -11.954 1.00 3.12 H new ATOM 1980 N GLY A 132 32.918 -1.767 -12.348 1.00 3.22 N ATOM 1981 CA GLY A 132 33.856 -2.066 -13.424 1.00 3.08 C ATOM 1982 C GLY A 132 33.829 -0.976 -14.489 1.00 3.63 C ATOM 1983 O GLY A 132 33.851 -1.263 -15.686 1.00 3.93 O ATOM 0 H GLY A 132 33.309 -1.844 -11.409 1.00 3.22 H new ATOM 0 HA2 GLY A 132 34.863 -2.158 -13.018 1.00 3.08 H new ATOM 0 HA3 GLY A 132 33.605 -3.026 -13.874 1.00 3.08 H new ATOM 1987 N ASP A 133 33.782 0.276 -14.046 1.00 3.43 N ATOM 1988 CA ASP A 133 33.753 1.403 -14.971 1.00 4.62 C ATOM 1989 C ASP A 133 35.140 2.024 -15.103 1.00 4.97 C ATOM 1990 O ASP A 133 35.372 2.869 -15.969 1.00 5.60 O ATOM 1991 CB ASP A 133 32.764 2.460 -14.475 1.00 4.81 C ATOM 1992 CG ASP A 133 33.105 2.863 -13.045 1.00 6.31 C ATOM 1993 OD1 ASP A 133 32.183 3.081 -12.276 1.00 9.56 O ATOM 1994 OD2 ASP A 133 34.283 2.947 -12.739 1.00 5.38 O ATOM 0 H ASP A 133 33.763 0.535 -13.060 1.00 3.43 H new ATOM 0 HA ASP A 133 33.436 1.039 -15.948 1.00 4.62 H new ATOM 0 HB2 ASP A 133 32.797 3.334 -15.125 1.00 4.81 H new ATOM 0 HB3 ASP A 133 31.748 2.068 -14.519 1.00 4.81 H new ATOM 1999 N GLY A 134 36.057 1.600 -14.241 1.00 5.35 N ATOM 2000 CA GLY A 134 37.419 2.122 -14.271 1.00 5.78 C ATOM 2001 C GLY A 134 37.654 3.097 -13.123 1.00 6.89 C ATOM 2002 O GLY A 134 38.709 3.725 -13.035 1.00 7.32 O ATOM 0 H GLY A 134 35.885 0.902 -13.518 1.00 5.35 H new ATOM 0 HA2 GLY A 134 38.130 1.298 -14.205 1.00 5.78 H new ATOM 0 HA3 GLY A 134 37.600 2.623 -15.222 1.00 5.78 H new ATOM 2006 N GLN A 135 36.664 3.218 -12.244 1.00 8.76 N ATOM 2007 CA GLN A 135 36.775 4.120 -11.103 1.00 10.22 C ATOM 2008 C GLN A 135 36.251 3.450 -9.838 1.00 10.54 C ATOM 2009 O GLN A 135 35.462 2.507 -9.904 1.00 9.45 O ATOM 2010 CB GLN A 135 35.982 5.401 -11.370 1.00 11.41 C ATOM 2011 CG GLN A 135 36.559 6.115 -12.595 1.00 15.22 C ATOM 2012 CD GLN A 135 35.578 6.026 -13.760 1.00 14.99 C ATOM 2013 OE1 GLN A 135 34.365 6.059 -13.555 1.00 22.05 O ATOM 2014 NE2 GLN A 135 36.034 5.914 -14.977 1.00 21.85 N ATOM 0 H GLN A 135 35.783 2.707 -12.299 1.00 8.76 H new ATOM 0 HA GLN A 135 37.827 4.367 -10.961 1.00 10.22 H new ATOM 0 HB2 GLN A 135 34.932 5.163 -11.537 1.00 11.41 H new ATOM 0 HB3 GLN A 135 36.026 6.056 -10.500 1.00 11.41 H new ATOM 0 HG2 GLN A 135 36.760 7.160 -12.357 1.00 15.22 H new ATOM 0 HG3 GLN A 135 37.511 5.663 -12.875 1.00 15.22 H new ATOM 0 HE21 GLN A 135 37.040 5.887 -15.144 1.00 21.85 H new ATOM 0 HE22 GLN A 135 35.385 5.854 -15.761 1.00 21.85 H new ATOM 2023 N VAL A 136 36.694 3.943 -8.685 1.00 10.23 N ATOM 2024 CA VAL A 136 36.262 3.382 -7.410 1.00 8.85 C ATOM 2025 C VAL A 136 35.384 4.376 -6.656 1.00 7.34 C ATOM 2026 O VAL A 136 35.664 5.574 -6.635 1.00 7.03 O ATOM 2027 CB VAL A 136 37.481 3.026 -6.558 1.00 7.54 C ATOM 2028 CG1 VAL A 136 37.032 2.715 -5.129 1.00 8.16 C ATOM 2029 CG2 VAL A 136 38.175 1.798 -7.151 1.00 10.34 C ATOM 0 H VAL A 136 37.346 4.723 -8.608 1.00 10.23 H new ATOM 0 HA VAL A 136 35.681 2.481 -7.609 1.00 8.85 H new ATOM 0 HB VAL A 136 38.174 3.867 -6.546 1.00 7.54 H new ATOM 0 HG11 VAL A 136 37.901 2.461 -4.522 1.00 8.16 H new ATOM 0 HG12 VAL A 136 36.536 3.588 -4.705 1.00 8.16 H new ATOM 0 HG13 VAL A 136 36.339 1.874 -5.140 1.00 8.16 H new ATOM 0 HG21 VAL A 136 39.044 1.543 -6.545 1.00 10.34 H new ATOM 0 HG22 VAL A 136 37.481 0.958 -7.162 1.00 10.34 H new ATOM 0 HG23 VAL A 136 38.495 2.017 -8.170 1.00 10.34 H new ATOM 2039 N ASN A 137 34.326 3.868 -6.034 1.00 6.53 N ATOM 2040 CA ASN A 137 33.417 4.719 -5.274 1.00 7.00 C ATOM 2041 C ASN A 137 33.561 4.448 -3.780 1.00 7.22 C ATOM 2042 O ASN A 137 34.051 3.394 -3.377 1.00 10.52 O ATOM 2043 CB ASN A 137 31.973 4.459 -5.706 1.00 6.31 C ATOM 2044 CG ASN A 137 31.774 4.899 -7.153 1.00 7.74 C ATOM 2045 OD1 ASN A 137 32.066 4.141 -8.078 1.00 12.02 O ATOM 2046 ND2 ASN A 137 31.292 6.085 -7.404 1.00 9.78 N ATOM 0 H ASN A 137 34.077 2.879 -6.040 1.00 6.53 H new ATOM 0 HA ASN A 137 33.670 5.761 -5.471 1.00 7.00 H new ATOM 0 HB2 ASN A 137 31.739 3.399 -5.604 1.00 6.31 H new ATOM 0 HB3 ASN A 137 31.287 5.001 -5.055 1.00 6.31 H new ATOM 0 HD21 ASN A 137 31.156 6.387 -8.369 1.00 9.78 H new ATOM 0 HD22 ASN A 137 31.051 6.711 -6.635 1.00 9.78 H new ATOM 2053 N TYR A 138 33.131 5.404 -2.962 0.50 8.14 N ATOM 2054 CA TYR A 138 33.219 5.249 -1.515 0.50 7.95 C ATOM 2055 C TYR A 138 32.541 3.955 -1.074 0.50 8.75 C ATOM 2056 O TYR A 138 32.946 3.335 -0.091 0.50 8.62 O ATOM 2057 CB TYR A 138 32.554 6.438 -0.820 0.50 7.85 C ATOM 2058 CG TYR A 138 32.312 6.103 0.632 0.50 6.95 C ATOM 2059 CD1 TYR A 138 33.397 5.885 1.490 0.50 6.52 C ATOM 2060 CD2 TYR A 138 31.004 6.010 1.121 0.50 5.59 C ATOM 2061 CE1 TYR A 138 33.173 5.574 2.836 0.50 7.79 C ATOM 2062 CE2 TYR A 138 30.780 5.699 2.467 0.50 5.99 C ATOM 2063 CZ TYR A 138 31.864 5.481 3.325 0.50 6.26 C ATOM 2064 OH TYR A 138 31.643 5.174 4.652 0.50 6.33 O ATOM 0 H TYR A 138 32.722 6.285 -3.273 0.50 8.14 H new ATOM 0 HA TYR A 138 34.272 5.209 -1.236 0.50 7.95 H new ATOM 0 HB2 TYR A 138 33.189 7.321 -0.899 0.50 7.85 H new ATOM 0 HB3 TYR A 138 31.611 6.678 -1.311 0.50 7.85 H new ATOM 0 HD1 TYR A 138 34.407 5.957 1.113 0.50 6.52 H new ATOM 0 HD2 TYR A 138 30.167 6.178 0.459 0.50 5.59 H new ATOM 0 HE1 TYR A 138 34.010 5.406 3.498 0.50 7.79 H new ATOM 0 HE2 TYR A 138 29.770 5.627 2.844 0.50 5.99 H new ATOM 0 HH TYR A 138 30.679 5.150 4.826 0.50 6.33 H new ATOM 2074 N GLU A 139 31.509 3.555 -1.809 1.00 9.07 N ATOM 2075 CA GLU A 139 30.782 2.333 -1.486 1.00 10.59 C ATOM 2076 C GLU A 139 31.688 1.116 -1.638 1.00 9.77 C ATOM 2077 O GLU A 139 31.663 0.203 -0.812 1.00 11.13 O ATOM 2078 CB GLU A 139 29.569 2.187 -2.407 1.00 10.86 C ATOM 2079 CG GLU A 139 28.611 1.144 -1.829 1.00 14.67 C ATOM 2080 CD GLU A 139 27.232 1.297 -2.461 1.00 16.27 C ATOM 2081 OE1 GLU A 139 27.167 1.750 -3.592 1.00 22.33 O ATOM 2082 OE2 GLU A 139 26.260 0.960 -1.804 1.00 20.01 O ATOM 0 H GLU A 139 31.159 4.055 -2.626 1.00 9.07 H new ATOM 0 HA GLU A 139 30.446 2.395 -0.451 1.00 10.59 H new ATOM 0 HB2 GLU A 139 29.060 3.145 -2.510 1.00 10.86 H new ATOM 0 HB3 GLU A 139 29.891 1.887 -3.404 1.00 10.86 H new ATOM 0 HG2 GLU A 139 28.996 0.141 -2.015 1.00 14.67 H new ATOM 0 HG3 GLU A 139 28.540 1.263 -0.748 1.00 14.67 H new ATOM 2089 N GLU A 140 32.489 1.110 -2.699 1.00 10.22 N ATOM 2090 CA GLU A 140 33.401 0.000 -2.949 1.00 8.98 C ATOM 2091 C GLU A 140 34.402 -0.136 -1.807 1.00 8.77 C ATOM 2092 O GLU A 140 34.692 -1.243 -1.351 1.00 8.82 O ATOM 2093 CB GLU A 140 34.151 0.226 -4.263 1.00 9.71 C ATOM 2094 CG GLU A 140 33.321 -0.323 -5.426 1.00 8.70 C ATOM 2095 CD GLU A 140 33.379 0.639 -6.607 1.00 9.57 C ATOM 2096 OE1 GLU A 140 32.649 1.616 -6.587 1.00 13.45 O ATOM 2097 OE2 GLU A 140 34.153 0.385 -7.516 1.00 10.05 O ATOM 0 H GLU A 140 32.525 1.855 -3.394 1.00 10.22 H new ATOM 0 HA GLU A 140 32.817 -0.918 -3.018 1.00 8.98 H new ATOM 0 HB2 GLU A 140 34.340 1.290 -4.408 1.00 9.71 H new ATOM 0 HB3 GLU A 140 35.122 -0.269 -4.230 1.00 9.71 H new ATOM 0 HG2 GLU A 140 33.699 -1.301 -5.724 1.00 8.70 H new ATOM 0 HG3 GLU A 140 32.287 -0.464 -5.111 1.00 8.70 H new ATOM 2104 N PHE A 141 34.925 0.996 -1.347 1.00 7.84 N ATOM 2105 CA PHE A 141 35.891 0.990 -0.255 1.00 6.81 C ATOM 2106 C PHE A 141 35.371 0.160 0.913 1.00 7.49 C ATOM 2107 O PHE A 141 36.106 -0.633 1.501 1.00 8.25 O ATOM 2108 CB PHE A 141 36.158 2.423 0.214 1.00 7.47 C ATOM 2109 CG PHE A 141 37.646 2.646 0.348 1.00 5.76 C ATOM 2110 CD1 PHE A 141 38.441 2.772 -0.798 1.00 6.47 C ATOM 2111 CD2 PHE A 141 38.230 2.727 1.617 1.00 4.85 C ATOM 2112 CE1 PHE A 141 39.820 2.979 -0.674 1.00 2.00 C ATOM 2113 CE2 PHE A 141 39.609 2.934 1.741 1.00 4.27 C ATOM 2114 CZ PHE A 141 40.404 3.060 0.596 1.00 2.00 C ATOM 0 H PHE A 141 34.698 1.922 -1.710 1.00 7.84 H new ATOM 0 HA PHE A 141 36.819 0.548 -0.617 1.00 6.81 H new ATOM 0 HB2 PHE A 141 35.737 3.133 -0.498 1.00 7.47 H new ATOM 0 HB3 PHE A 141 35.666 2.600 1.171 1.00 7.47 H new ATOM 0 HD1 PHE A 141 37.990 2.709 -1.777 1.00 6.47 H new ATOM 0 HD2 PHE A 141 37.617 2.630 2.501 1.00 4.85 H new ATOM 0 HE1 PHE A 141 40.433 3.076 -1.558 1.00 2.00 H new ATOM 0 HE2 PHE A 141 40.060 2.996 2.721 1.00 4.27 H new ATOM 0 HZ PHE A 141 41.468 3.220 0.692 1.00 2.00 H new ATOM 2124 N VAL A 142 34.097 0.346 1.243 1.00 5.97 N ATOM 2125 CA VAL A 142 33.487 -0.393 2.341 1.00 6.53 C ATOM 2126 C VAL A 142 33.565 -1.894 2.082 1.00 5.16 C ATOM 2127 O VAL A 142 34.010 -2.659 2.937 1.00 5.28 O ATOM 2128 CB VAL A 142 32.025 0.024 2.504 1.00 7.17 C ATOM 2129 CG1 VAL A 142 31.494 -0.484 3.845 1.00 10.15 C ATOM 2130 CG2 VAL A 142 31.923 1.550 2.462 1.00 7.96 C ATOM 0 H VAL A 142 33.471 0.997 0.769 1.00 5.97 H new ATOM 0 HA VAL A 142 34.032 -0.164 3.257 1.00 6.53 H new ATOM 0 HB VAL A 142 31.434 -0.404 1.694 1.00 7.17 H new ATOM 0 HG11 VAL A 142 30.452 -0.186 3.960 1.00 10.15 H new ATOM 0 HG12 VAL A 142 31.566 -1.571 3.877 1.00 10.15 H new ATOM 0 HG13 VAL A 142 32.085 -0.057 4.656 1.00 10.15 H new ATOM 0 HG21 VAL A 142 30.881 1.848 2.578 1.00 7.96 H new ATOM 0 HG22 VAL A 142 32.515 1.977 3.272 1.00 7.96 H new ATOM 0 HG23 VAL A 142 32.300 1.914 1.506 1.00 7.96 H new ATOM 2140 N GLN A 143 33.131 -2.308 0.896 0.50 5.93 N ATOM 2141 CA GLN A 143 33.159 -3.720 0.534 0.50 5.91 C ATOM 2142 C GLN A 143 34.479 -4.354 0.960 0.50 5.69 C ATOM 2143 O GLN A 143 34.512 -5.498 1.413 0.50 5.40 O ATOM 2144 CB GLN A 143 32.979 -3.876 -0.977 0.50 5.96 C ATOM 2145 CG GLN A 143 31.717 -3.134 -1.421 0.50 6.79 C ATOM 2146 CD GLN A 143 30.501 -4.043 -1.281 0.50 8.07 C ATOM 2147 OE1 GLN A 143 30.632 -5.199 -0.876 0.50 7.89 O ATOM 2148 NE2 GLN A 143 29.319 -3.589 -1.592 0.50 8.24 N ATOM 0 H GLN A 143 32.758 -1.691 0.174 0.50 5.93 H new ATOM 0 HA GLN A 143 32.342 -4.225 1.050 0.50 5.91 H new ATOM 0 HB2 GLN A 143 33.849 -3.480 -1.500 0.50 5.96 H new ATOM 0 HB3 GLN A 143 32.903 -4.932 -1.238 0.50 5.96 H new ATOM 0 HG2 GLN A 143 31.582 -2.236 -0.818 0.50 6.79 H new ATOM 0 HG3 GLN A 143 31.821 -2.809 -2.456 0.50 6.79 H new ATOM 0 HE21 GLN A 143 29.212 -2.632 -1.927 0.50 8.24 H new ATOM 0 HE22 GLN A 143 28.501 -4.191 -1.500 0.50 8.24 H new ATOM 2157 N MET A 144 35.565 -3.602 0.813 0.50 6.59 N ATOM 2158 CA MET A 144 36.883 -4.100 1.187 0.50 5.84 C ATOM 2159 C MET A 144 36.886 -4.565 2.639 0.50 6.04 C ATOM 2160 O MET A 144 37.432 -5.620 2.962 0.50 6.68 O ATOM 2161 CB MET A 144 37.930 -3.001 0.997 0.50 5.76 C ATOM 2162 CG MET A 144 37.930 -2.541 -0.461 0.50 5.91 C ATOM 2163 SD MET A 144 39.231 -3.411 -1.369 0.50 4.59 S ATOM 2164 CE MET A 144 39.777 -2.013 -2.380 0.50 2.00 C ATOM 0 H MET A 144 35.559 -2.653 0.440 0.50 6.59 H new ATOM 0 HA MET A 144 37.127 -4.947 0.546 0.50 5.84 H new ATOM 0 HB2 MET A 144 37.712 -2.159 1.655 0.50 5.76 H new ATOM 0 HB3 MET A 144 38.917 -3.373 1.272 0.50 5.76 H new ATOM 0 HG2 MET A 144 36.960 -2.739 -0.916 0.50 5.91 H new ATOM 0 HG3 MET A 144 38.093 -1.465 -0.514 0.50 5.91 H new ATOM 0 HE1 MET A 144 40.592 -2.331 -3.030 0.50 2.00 H new ATOM 0 HE2 MET A 144 38.945 -1.657 -2.988 0.50 2.00 H new ATOM 0 HE3 MET A 144 40.123 -1.208 -1.731 0.50 2.00 H new ATOM 2174 N MET A 145 36.272 -3.772 3.511 0.50 6.29 N ATOM 2175 CA MET A 145 36.210 -4.114 4.928 0.50 7.25 C ATOM 2176 C MET A 145 34.919 -4.863 5.242 0.50 7.30 C ATOM 2177 O MET A 145 34.775 -5.449 6.315 0.50 6.60 O ATOM 2178 CB MET A 145 36.287 -2.844 5.778 0.50 7.65 C ATOM 2179 CG MET A 145 35.299 -1.806 5.242 0.50 9.43 C ATOM 2180 SD MET A 145 33.609 -2.426 5.430 0.50 13.37 S ATOM 2181 CE MET A 145 33.269 -1.674 7.040 0.50 13.25 C ATOM 0 H MET A 145 35.814 -2.895 3.265 0.50 6.29 H new ATOM 0 HA MET A 145 37.057 -4.758 5.164 0.50 7.25 H new ATOM 0 HB2 MET A 145 36.057 -3.076 6.818 0.50 7.65 H new ATOM 0 HB3 MET A 145 37.300 -2.441 5.757 0.50 7.65 H new ATOM 0 HG2 MET A 145 35.415 -0.866 5.781 0.50 9.43 H new ATOM 0 HG3 MET A 145 35.507 -1.599 4.192 0.50 9.43 H new ATOM 0 HE1 MET A 145 32.258 -1.932 7.356 0.50 13.25 H new ATOM 0 HE2 MET A 145 33.984 -2.046 7.774 0.50 13.25 H new ATOM 0 HE3 MET A 145 33.360 -0.591 6.962 0.50 13.25 H new ATOM 2191 N THR A 146 33.984 -4.842 4.298 1.00 7.72 N ATOM 2192 CA THR A 146 32.708 -5.524 4.483 1.00 9.13 C ATOM 2193 C THR A 146 32.852 -7.016 4.203 1.00 10.78 C ATOM 2194 O THR A 146 31.860 -7.739 4.111 1.00 9.16 O ATOM 2195 CB THR A 146 31.653 -4.927 3.548 1.00 10.24 C ATOM 2196 OG1 THR A 146 32.017 -3.594 3.217 1.00 8.27 O ATOM 2197 CG2 THR A 146 30.291 -4.929 4.244 1.00 10.65 C ATOM 0 H THR A 146 34.084 -4.364 3.403 1.00 7.72 H new ATOM 0 HA THR A 146 32.393 -5.388 5.518 1.00 9.13 H new ATOM 0 HB THR A 146 31.593 -5.524 2.638 1.00 10.24 H new ATOM 0 HG1 THR A 146 32.717 -3.284 3.829 1.00 8.27 H new ATOM 0 HG21 THR A 146 29.541 -4.504 3.577 1.00 10.65 H new ATOM 0 HG22 THR A 146 30.013 -5.952 4.497 1.00 10.65 H new ATOM 0 HG23 THR A 146 30.347 -4.333 5.155 1.00 10.65 H new ATOM 2205 N ALA A 147 34.094 -7.470 4.069 1.00 12.23 N ATOM 2206 CA ALA A 147 34.356 -8.879 3.799 1.00 14.56 C ATOM 2207 C ALA A 147 34.736 -9.608 5.084 1.00 16.77 C ATOM 2208 O ALA A 147 35.378 -9.039 5.966 1.00 18.52 O ATOM 2209 CB ALA A 147 35.489 -9.014 2.780 1.00 15.29 C ATOM 0 H ALA A 147 34.929 -6.888 4.142 1.00 12.23 H new ATOM 0 HA ALA A 147 33.449 -9.327 3.394 1.00 14.56 H new ATOM 0 HB1 ALA A 147 35.678 -10.069 2.584 1.00 15.29 H new ATOM 0 HB2 ALA A 147 35.205 -8.518 1.852 1.00 15.29 H new ATOM 0 HB3 ALA A 147 36.392 -8.551 3.177 1.00 15.29 H new ATOM 2215 N LYS A 148 34.334 -10.872 5.183 1.00 18.29 N ATOM 2216 CA LYS A 148 34.638 -11.669 6.366 1.00 19.47 C ATOM 2217 C LYS A 148 35.809 -12.607 6.093 1.00 20.05 C ATOM 2218 O LYS A 148 36.490 -12.400 5.102 1.00 20.38 O ATOM 2219 CB LYS A 148 33.411 -12.487 6.774 1.00 19.94 C ATOM 2220 CG LYS A 148 33.300 -13.723 5.879 1.00 19.92 C ATOM 2221 CD LYS A 148 33.336 -13.296 4.410 1.00 21.49 C ATOM 2222 CE LYS A 148 33.054 -14.507 3.519 1.00 21.36 C ATOM 2223 NZ LYS A 148 33.230 -14.123 2.090 1.00 23.42 N ATOM 2224 OXT LYS A 148 36.008 -13.519 6.879 1.00 20.68 O ATOM 0 H LYS A 148 33.801 -11.363 4.465 1.00 18.29 H new ATOM 0 HA LYS A 148 34.910 -10.993 7.177 1.00 19.47 H new ATOM 0 HB2 LYS A 148 33.492 -12.788 7.819 1.00 19.94 H new ATOM 0 HB3 LYS A 148 32.510 -11.879 6.686 1.00 19.94 H new ATOM 0 HG2 LYS A 148 34.119 -14.411 6.089 1.00 19.92 H new ATOM 0 HG3 LYS A 148 32.373 -14.256 6.091 1.00 19.92 H new ATOM 0 HD2 LYS A 148 32.595 -12.517 4.228 1.00 21.49 H new ATOM 0 HD3 LYS A 148 34.310 -12.872 4.167 1.00 21.49 H new ATOM 0 HE2 LYS A 148 33.729 -15.324 3.773 1.00 21.36 H new ATOM 0 HE3 LYS A 148 32.039 -14.868 3.688 1.00 21.36 H new ATOM 0 HZ1 LYS A 148 33.038 -14.946 1.483 1.00 23.42 H new ATOM 0 HZ2 LYS A 148 32.569 -13.356 1.853 1.00 23.42 H new ATOM 0 HZ3 LYS A 148 34.206 -13.799 1.935 1.00 23.42 H new TER 2238 LYS A 148 HETATM 2239 CA CA A 401 63.866 6.399 8.862 1.00 3.06 CA HETATM 2240 CA CA A 402 39.063 12.039 -8.465 1.00 3.06 CA HETATM 2241 CA CA A 403 32.877 2.303 -9.736 1.00 3.06 CA HETATM 2242 TB TB A 404 58.435 1.804 20.073 1.00 4.04 TB