USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 933 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 THR OG1 : rot 74:sc= 0.361 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.06 (180deg=-0.457) USER MOD Single : A 19 SER OG : rot 137:sc= -1.56 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.478 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0978 F(o=-1.1,f=-0.098) USER MOD Single : A 40 ASN : amide:sc= -0.326 K(o=-0.33,f=-3!) USER MOD Single : A 41 GLN : amide:sc= -0.0435 K(o=-0.043,f=-1.3!) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.957 F(o=-2.4!,f=-0.96) USER MOD Single : A 44 ASN : amide:sc= -2.06 K(o=-2.1,f=-3.7!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.743 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 139:sc= -0.331 (180deg=-1.93!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.323 K(o=-0.32,f=-1.6) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.64 K(o=-1.6,f=-3!) USER MOD Single : A 84 HIS : no HD1:sc= -0.51 K(o=-0.51,f=-1.5) USER MOD Single : A 87 TYR OH : rot 160:sc= -1.55! USER MOD Single : A 88 MET CE :methyl -165:sc=-0.00143 (180deg=-0.125) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.792 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 THR OG1 : rot 65:sc= 1.05 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.52) USER MOD Single : A 115 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -3.277 -3.020 -5.722 1.00 74.53 N ATOM 41 CA GLU A 4 -4.084 -3.470 -6.851 1.00 44.43 C ATOM 42 C GLU A 4 -4.480 -4.935 -6.686 1.00 72.00 C ATOM 43 O GLU A 4 -5.612 -5.320 -6.983 1.00 41.22 O ATOM 44 CB GLU A 4 -3.316 -3.282 -8.161 1.00 55.41 C ATOM 45 CG GLU A 4 -1.871 -3.749 -8.092 1.00 51.52 C ATOM 46 CD GLU A 4 -1.195 -3.755 -9.450 1.00 0.52 C ATOM 47 OE1 GLU A 4 -1.911 -3.858 -10.467 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 0.049 -3.658 -9.494 1.00 44.14 O ATOM 0 HA GLU A 4 -4.992 -2.867 -6.880 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -3.828 -3.827 -8.954 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -3.335 -2.227 -8.436 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -1.315 -3.099 -7.416 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -1.837 -4.753 -7.669 1.00 51.52 H new ATOM 55 N LEU A 5 -3.542 -5.747 -6.213 1.00 43.24 N ATOM 56 CA LEU A 5 -3.792 -7.169 -6.009 1.00 13.32 C ATOM 57 C LEU A 5 -4.989 -7.385 -5.088 1.00 63.44 C ATOM 58 O LEU A 5 -5.762 -8.327 -5.268 1.00 51.25 O ATOM 59 CB LEU A 5 -2.552 -7.846 -5.420 1.00 63.32 C ATOM 60 CG LEU A 5 -2.800 -9.139 -4.643 1.00 2.52 C ATOM 61 CD1 LEU A 5 -3.421 -10.194 -5.546 1.00 32.23 C ATOM 62 CD2 LEU A 5 -1.502 -9.651 -4.034 1.00 74.41 C ATOM 0 H LEU A 5 -2.600 -5.445 -5.963 1.00 43.24 H new ATOM 0 HA LEU A 5 -4.017 -7.616 -6.978 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -1.859 -8.061 -6.233 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -2.055 -7.137 -4.758 1.00 63.32 H new ATOM 0 HG LEU A 5 -3.499 -8.927 -3.834 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -3.590 -11.107 -4.976 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -4.371 -9.827 -5.934 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -2.747 -10.405 -6.376 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -1.696 -10.572 -3.484 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.780 -9.847 -4.827 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -1.098 -8.901 -3.354 1.00 74.41 H new ATOM 74 N LEU A 6 -5.137 -6.506 -4.103 1.00 10.52 N ATOM 75 CA LEU A 6 -6.242 -6.598 -3.154 1.00 13.21 C ATOM 76 C LEU A 6 -7.557 -6.190 -3.809 1.00 51.12 C ATOM 77 O LEU A 6 -8.575 -6.866 -3.656 1.00 73.12 O ATOM 78 CB LEU A 6 -5.970 -5.715 -1.936 1.00 44.03 C ATOM 79 CG LEU A 6 -4.790 -6.129 -1.056 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.590 -5.132 0.075 1.00 31.20 C ATOM 81 CD2 LEU A 6 -5.005 -7.531 -0.502 1.00 22.10 C ATOM 0 H LEU A 6 -4.506 -5.721 -3.940 1.00 10.52 H new ATOM 0 HA LEU A 6 -6.325 -7.636 -2.831 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.799 -4.696 -2.282 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.868 -5.695 -1.319 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.889 -6.135 -1.669 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.746 -5.444 0.690 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -4.390 -4.145 -0.341 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -5.490 -5.092 0.688 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -4.156 -7.810 0.122 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.916 -7.550 0.096 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -5.097 -8.238 -1.327 1.00 22.10 H new ATOM 93 N ASP A 7 -7.529 -5.082 -4.541 1.00 4.52 N ATOM 94 CA ASP A 7 -8.718 -4.584 -5.223 1.00 25.12 C ATOM 95 C ASP A 7 -9.173 -5.560 -6.302 1.00 33.21 C ATOM 96 O ASP A 7 -10.371 -5.753 -6.513 1.00 24.02 O ATOM 97 CB ASP A 7 -8.441 -3.213 -5.842 1.00 34.32 C ATOM 98 CG ASP A 7 -9.656 -2.305 -5.803 1.00 10.52 C ATOM 99 OD1 ASP A 7 -10.741 -2.782 -5.411 1.00 22.32 O1- ATOM 100 OD2 ASP A 7 -9.520 -1.118 -6.165 1.00 34.22 O ATOM 0 H ASP A 7 -6.695 -4.511 -4.678 1.00 4.52 H new ATOM 0 HA ASP A 7 -9.515 -4.486 -4.486 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -7.618 -2.737 -5.310 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -8.120 -3.342 -6.876 1.00 34.32 H new ATOM 105 N ALA A 8 -8.211 -6.172 -6.984 1.00 74.43 N ATOM 106 CA ALA A 8 -8.513 -7.129 -8.041 1.00 44.45 C ATOM 107 C ALA A 8 -9.389 -8.263 -7.522 1.00 72.11 C ATOM 108 O ALA A 8 -10.452 -8.545 -8.077 1.00 71.43 O ATOM 109 CB ALA A 8 -7.226 -7.683 -8.635 1.00 72.11 C ATOM 0 H ALA A 8 -7.215 -6.022 -6.823 1.00 74.43 H new ATOM 0 HA ALA A 8 -9.066 -6.607 -8.822 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -7.467 -8.396 -9.423 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -6.637 -6.866 -9.052 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -6.651 -8.184 -7.856 1.00 72.11 H new ATOM 115 N LEU A 9 -8.938 -8.912 -6.454 1.00 65.10 N ATOM 116 CA LEU A 9 -9.682 -10.017 -5.859 1.00 30.43 C ATOM 117 C LEU A 9 -11.106 -9.592 -5.515 1.00 2.51 C ATOM 118 O LEU A 9 -12.057 -10.348 -5.715 1.00 14.11 O ATOM 119 CB LEU A 9 -8.969 -10.518 -4.602 1.00 54.45 C ATOM 120 CG LEU A 9 -7.476 -10.810 -4.748 1.00 52.20 C ATOM 121 CD1 LEU A 9 -6.726 -10.400 -3.490 1.00 21.41 C ATOM 122 CD2 LEU A 9 -7.248 -12.284 -5.050 1.00 32.24 C ATOM 0 H LEU A 9 -8.061 -8.692 -5.982 1.00 65.10 H new ATOM 0 HA LEU A 9 -9.731 -10.825 -6.589 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.098 -9.775 -3.815 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -9.465 -11.428 -4.266 1.00 54.45 H new ATOM 0 HG LEU A 9 -7.091 -10.224 -5.583 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -5.665 -10.616 -3.613 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -6.862 -9.332 -3.317 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -7.113 -10.958 -2.637 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -6.179 -12.474 -5.151 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -7.649 -12.888 -4.236 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -7.752 -12.547 -5.980 1.00 32.24 H new ATOM 134 N THR A 10 -11.246 -8.375 -4.998 1.00 42.42 N ATOM 135 CA THR A 10 -12.554 -7.849 -4.627 1.00 45.22 C ATOM 136 C THR A 10 -13.474 -7.758 -5.839 1.00 33.22 C ATOM 137 O THR A 10 -14.645 -8.133 -5.771 1.00 71.53 O ATOM 138 CB THR A 10 -12.436 -6.456 -3.980 1.00 10.42 C ATOM 139 OG1 THR A 10 -11.489 -6.493 -2.907 1.00 72.25 O ATOM 140 CG2 THR A 10 -13.785 -5.987 -3.455 1.00 62.04 C ATOM 0 H THR A 10 -10.470 -7.736 -4.827 1.00 42.42 H new ATOM 0 HA THR A 10 -12.980 -8.543 -3.903 1.00 45.22 H new ATOM 0 HB THR A 10 -12.096 -5.754 -4.741 1.00 10.42 H new ATOM 0 HG1 THR A 10 -10.581 -6.538 -3.273 1.00 72.25 H new ATOM 0 HG21 THR A 10 -13.677 -5.001 -3.003 1.00 62.04 H new ATOM 0 HG22 THR A 10 -14.497 -5.932 -4.279 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.149 -6.691 -2.707 1.00 62.04 H new ATOM 148 N ILE A 11 -12.937 -7.256 -6.946 1.00 32.10 N ATOM 149 CA ILE A 11 -13.710 -7.118 -8.174 1.00 21.23 C ATOM 150 C ILE A 11 -14.349 -8.443 -8.574 1.00 62.33 C ATOM 151 O ILE A 11 -15.451 -8.472 -9.125 1.00 65.32 O ATOM 152 CB ILE A 11 -12.835 -6.611 -9.336 1.00 71.24 C ATOM 153 CG1 ILE A 11 -12.236 -5.245 -8.994 1.00 53.43 C ATOM 154 CG2 ILE A 11 -13.651 -6.531 -10.617 1.00 64.41 C ATOM 155 CD1 ILE A 11 -10.902 -4.988 -9.658 1.00 14.01 C ATOM 0 H ILE A 11 -11.970 -6.938 -7.018 1.00 32.10 H new ATOM 0 HA ILE A 11 -14.493 -6.387 -7.973 1.00 21.23 H new ATOM 0 HB ILE A 11 -12.019 -7.316 -9.491 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -12.937 -4.465 -9.291 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -12.115 -5.170 -7.913 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -13.019 -6.171 -11.429 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -14.034 -7.520 -10.867 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -14.485 -5.844 -10.475 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -10.537 -4.002 -9.371 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -10.186 -5.746 -9.342 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -11.020 -5.030 -10.741 1.00 14.01 H new ATOM 167 N LEU A 12 -13.653 -9.538 -8.293 1.00 75.15 N ATOM 168 CA LEU A 12 -14.152 -10.869 -8.621 1.00 35.45 C ATOM 169 C LEU A 12 -15.288 -11.270 -7.686 1.00 52.41 C ATOM 170 O LEU A 12 -16.198 -11.999 -8.077 1.00 23.30 O ATOM 171 CB LEU A 12 -13.021 -11.895 -8.538 1.00 52.11 C ATOM 172 CG LEU A 12 -11.672 -11.455 -9.109 1.00 0.22 C ATOM 173 CD1 LEU A 12 -10.668 -12.597 -9.048 1.00 0.53 C ATOM 174 CD2 LEU A 12 -11.835 -10.963 -10.540 1.00 60.44 C ATOM 0 H LEU A 12 -12.740 -9.531 -7.838 1.00 75.15 H new ATOM 0 HA LEU A 12 -14.537 -10.844 -9.641 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -12.879 -12.166 -7.492 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -13.337 -12.798 -9.061 1.00 52.11 H new ATOM 0 HG LEU A 12 -11.293 -10.632 -8.503 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -9.714 -12.265 -9.459 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -10.530 -12.905 -8.012 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -11.040 -13.440 -9.630 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -10.866 -10.654 -10.931 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -12.236 -11.767 -11.158 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -12.520 -10.116 -10.558 1.00 60.44 H new ATOM 186 N GLU A 13 -15.228 -10.787 -6.449 1.00 2.20 N ATOM 187 CA GLU A 13 -16.252 -11.094 -5.459 1.00 73.44 C ATOM 188 C GLU A 13 -17.621 -10.600 -5.920 1.00 24.32 C ATOM 189 O GLU A 13 -18.653 -11.159 -5.547 1.00 32.15 O ATOM 190 CB GLU A 13 -15.898 -10.462 -4.111 1.00 53.14 C ATOM 191 CG GLU A 13 -16.440 -11.230 -2.917 1.00 32.32 C ATOM 192 CD GLU A 13 -15.688 -10.922 -1.636 1.00 22.03 C ATOM 193 OE1 GLU A 13 -15.160 -9.797 -1.514 1.00 5.24 O ATOM 194 OE2 GLU A 13 -15.628 -11.806 -0.756 1.00 34.44 O1- ATOM 0 H GLU A 13 -14.481 -10.182 -6.109 1.00 2.20 H new ATOM 0 HA GLU A 13 -16.295 -12.177 -5.344 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -14.814 -10.392 -4.026 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -16.286 -9.444 -4.084 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -17.494 -10.988 -2.782 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -16.382 -12.299 -3.120 1.00 32.32 H new ATOM 201 N LYS A 14 -17.621 -9.549 -6.733 1.00 41.41 N ATOM 202 CA LYS A 14 -18.860 -8.979 -7.247 1.00 53.15 C ATOM 203 C LYS A 14 -19.725 -10.053 -7.899 1.00 32.03 C ATOM 204 O LYS A 14 -20.951 -9.951 -7.914 1.00 33.02 O ATOM 205 CB LYS A 14 -18.555 -7.872 -8.258 1.00 52.04 C ATOM 206 CG LYS A 14 -17.931 -6.634 -7.636 1.00 23.23 C ATOM 207 CD LYS A 14 -18.137 -5.407 -8.508 1.00 74.34 C ATOM 208 CE LYS A 14 -19.585 -4.943 -8.484 1.00 0.54 C ATOM 209 NZ LYS A 14 -19.723 -3.533 -8.940 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.776 -9.075 -7.050 1.00 41.41 H new ATOM 0 HA LYS A 14 -19.411 -8.555 -6.407 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -17.882 -8.264 -9.021 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -19.478 -7.588 -8.763 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -18.368 -6.460 -6.653 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -16.864 -6.800 -7.486 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -17.490 -4.601 -8.162 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -17.844 -5.634 -9.533 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -20.185 -5.592 -9.123 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -19.980 -5.038 -7.473 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -20.725 -3.255 -8.909 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -19.171 -2.911 -8.316 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -19.370 -3.447 -9.914 1.00 44.11 H new ATOM 223 N GLU A 15 -19.076 -11.083 -8.436 1.00 31.13 N ATOM 224 CA GLU A 15 -19.787 -12.176 -9.089 1.00 10.21 C ATOM 225 C GLU A 15 -20.396 -13.121 -8.057 1.00 74.31 C ATOM 226 O GLU A 15 -20.236 -12.930 -6.851 1.00 23.34 O ATOM 227 CB GLU A 15 -18.843 -12.949 -10.011 1.00 45.25 C ATOM 228 CG GLU A 15 -18.848 -12.448 -11.445 1.00 55.15 C ATOM 229 CD GLU A 15 -20.237 -12.435 -12.054 1.00 24.20 C ATOM 230 OE1 GLU A 15 -21.068 -13.276 -11.652 1.00 50.25 O1- ATOM 231 OE2 GLU A 15 -20.493 -11.584 -12.931 1.00 1.53 O ATOM 0 H GLU A 15 -18.061 -11.183 -8.431 1.00 31.13 H new ATOM 0 HA GLU A 15 -20.593 -11.747 -9.684 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -17.829 -12.884 -9.616 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -19.122 -14.003 -10.002 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -18.433 -11.441 -11.475 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -18.197 -13.080 -12.049 1.00 55.15 H new ATOM 238 N LYS A 16 -21.095 -14.143 -8.540 1.00 54.02 N ATOM 239 CA LYS A 16 -21.729 -15.120 -7.662 1.00 15.32 C ATOM 240 C LYS A 16 -21.084 -16.494 -7.823 1.00 60.10 C ATOM 241 O LYS A 16 -20.844 -16.950 -8.939 1.00 20.10 O ATOM 242 CB LYS A 16 -23.226 -15.211 -7.962 1.00 20.41 C ATOM 243 CG LYS A 16 -23.537 -15.690 -9.369 1.00 32.52 C ATOM 244 CD LYS A 16 -23.856 -17.176 -9.393 1.00 20.11 C ATOM 245 CE LYS A 16 -25.346 -17.429 -9.216 1.00 73.12 C ATOM 246 NZ LYS A 16 -25.732 -17.476 -7.779 1.00 30.23 N1+ ATOM 0 H LYS A 16 -21.237 -14.316 -9.535 1.00 54.02 H new ATOM 0 HA LYS A 16 -21.591 -14.790 -6.632 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -23.691 -15.888 -7.246 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -23.678 -14.230 -7.813 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -24.382 -15.129 -9.767 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -22.686 -15.489 -10.020 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -23.523 -17.606 -10.338 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -23.303 -17.681 -8.601 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -25.910 -16.643 -9.718 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -25.614 -18.370 -9.695 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -26.665 -17.926 -7.685 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -25.027 -18.026 -7.248 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -25.774 -16.509 -7.399 1.00 30.23 H new ATOM 260 N GLY A 17 -20.806 -17.147 -6.698 1.00 53.14 N ATOM 261 CA GLY A 17 -20.193 -18.462 -6.737 1.00 1.24 C ATOM 262 C GLY A 17 -18.708 -18.401 -7.029 1.00 24.31 C ATOM 263 O GLY A 17 -18.046 -19.434 -7.138 1.00 30.33 O ATOM 0 H GLY A 17 -20.994 -16.789 -5.762 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -20.352 -18.962 -5.782 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -20.685 -19.066 -7.499 1.00 1.24 H new ATOM 267 N ILE A 18 -18.182 -17.188 -7.158 1.00 51.44 N ATOM 268 CA ILE A 18 -16.764 -16.997 -7.441 1.00 32.50 C ATOM 269 C ILE A 18 -16.036 -16.417 -6.233 1.00 3.32 C ATOM 270 O ILE A 18 -15.665 -15.244 -6.222 1.00 25.41 O ATOM 271 CB ILE A 18 -16.551 -16.065 -8.649 1.00 45.15 C ATOM 272 CG1 ILE A 18 -17.433 -16.504 -9.821 1.00 2.33 C ATOM 273 CG2 ILE A 18 -15.086 -16.053 -9.057 1.00 34.32 C ATOM 274 CD1 ILE A 18 -17.349 -15.585 -11.019 1.00 3.12 C ATOM 0 H ILE A 18 -18.715 -16.323 -7.071 1.00 51.44 H new ATOM 0 HA ILE A 18 -16.354 -17.980 -7.673 1.00 32.50 H new ATOM 0 HB ILE A 18 -16.836 -15.053 -8.363 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -17.145 -17.510 -10.125 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -18.469 -16.556 -9.486 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -14.952 -15.390 -9.912 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -14.479 -15.698 -8.224 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -14.776 -17.062 -9.328 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -18.000 -15.958 -11.810 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -17.666 -14.582 -10.731 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -16.321 -15.551 -11.380 1.00 3.12 H new ATOM 286 N SER A 19 -15.834 -17.249 -5.217 1.00 72.20 N ATOM 287 CA SER A 19 -15.150 -16.820 -4.001 1.00 5.03 C ATOM 288 C SER A 19 -13.697 -16.459 -4.294 1.00 10.11 C ATOM 289 O SER A 19 -13.013 -17.149 -5.050 1.00 55.41 O ATOM 290 CB SER A 19 -15.211 -17.920 -2.940 1.00 70.31 C ATOM 291 OG SER A 19 -14.851 -17.420 -1.665 1.00 12.11 O ATOM 0 H SER A 19 -16.134 -18.224 -5.211 1.00 72.20 H new ATOM 0 HA SER A 19 -15.657 -15.933 -3.622 1.00 5.03 H new ATOM 0 HB2 SER A 19 -16.218 -18.335 -2.900 1.00 70.31 H new ATOM 0 HB3 SER A 19 -14.541 -18.734 -3.217 1.00 70.31 H new ATOM 0 HG SER A 19 -15.467 -17.773 -0.989 1.00 12.11 H new ATOM 297 N LYS A 20 -13.231 -15.372 -3.688 1.00 21.45 N ATOM 298 CA LYS A 20 -11.859 -14.918 -3.880 1.00 74.43 C ATOM 299 C LYS A 20 -10.873 -15.861 -3.199 1.00 44.01 C ATOM 300 O LYS A 20 -9.688 -15.879 -3.530 1.00 62.25 O ATOM 301 CB LYS A 20 -11.688 -13.500 -3.331 1.00 25.14 C ATOM 302 CG LYS A 20 -11.614 -13.440 -1.815 1.00 31.04 C ATOM 303 CD LYS A 20 -11.591 -12.006 -1.313 1.00 45.33 C ATOM 304 CE LYS A 20 -10.374 -11.253 -1.828 1.00 73.32 C ATOM 305 NZ LYS A 20 -9.578 -10.661 -0.718 1.00 24.23 N1+ ATOM 0 H LYS A 20 -13.784 -14.789 -3.060 1.00 21.45 H new ATOM 0 HA LYS A 20 -11.650 -14.914 -4.950 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -10.780 -13.065 -3.748 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -12.521 -12.885 -3.670 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -12.470 -13.962 -1.387 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -10.719 -13.960 -1.473 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -12.499 -11.494 -1.632 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -11.588 -12.001 -0.223 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -9.745 -11.931 -2.405 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -10.696 -10.462 -2.506 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -8.757 -10.156 -1.110 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -10.171 -9.995 -0.183 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -9.249 -11.418 -0.085 1.00 24.23 H new ATOM 319 N GLU A 21 -11.371 -16.644 -2.247 1.00 64.52 N ATOM 320 CA GLU A 21 -10.533 -17.590 -1.521 1.00 11.33 C ATOM 321 C GLU A 21 -9.768 -18.491 -2.486 1.00 34.03 C ATOM 322 O GLU A 21 -8.624 -18.867 -2.226 1.00 42.53 O ATOM 323 CB GLU A 21 -11.384 -18.441 -0.576 1.00 34.13 C ATOM 324 CG GLU A 21 -12.500 -19.198 -1.280 1.00 74.01 C ATOM 325 CD GLU A 21 -13.638 -19.558 -0.346 1.00 20.11 C ATOM 326 OE1 GLU A 21 -13.985 -18.725 0.518 1.00 42.41 O1- ATOM 327 OE2 GLU A 21 -14.183 -20.674 -0.478 1.00 12.41 O ATOM 0 H GLU A 21 -12.350 -16.642 -1.961 1.00 64.52 H new ATOM 0 HA GLU A 21 -9.812 -17.021 -0.934 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -10.739 -19.154 -0.063 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -11.819 -17.797 0.188 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -12.885 -18.591 -2.099 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -12.095 -20.109 -1.721 1.00 74.01 H new ATOM 334 N ILE A 22 -10.407 -18.835 -3.598 1.00 11.12 N ATOM 335 CA ILE A 22 -9.789 -19.692 -4.601 1.00 52.11 C ATOM 336 C ILE A 22 -8.809 -18.906 -5.467 1.00 5.14 C ATOM 337 O ILE A 22 -7.878 -19.472 -6.039 1.00 62.02 O ATOM 338 CB ILE A 22 -10.845 -20.350 -5.509 1.00 23.14 C ATOM 339 CG1 ILE A 22 -11.820 -21.181 -4.674 1.00 11.11 C ATOM 340 CG2 ILE A 22 -10.171 -21.215 -6.564 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.214 -20.595 -4.612 1.00 40.42 C ATOM 0 H ILE A 22 -11.354 -18.533 -3.827 1.00 11.12 H new ATOM 0 HA ILE A 22 -9.250 -20.471 -4.061 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.407 -19.566 -6.016 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -11.876 -22.187 -5.090 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -11.429 -21.276 -3.661 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -10.930 -21.673 -7.198 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.513 -20.597 -7.175 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -9.587 -21.995 -6.076 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -13.852 -21.236 -4.004 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.171 -19.600 -4.169 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -13.625 -20.526 -5.619 1.00 40.42 H new ATOM 353 N ILE A 23 -9.025 -17.597 -5.555 1.00 13.43 N ATOM 354 CA ILE A 23 -8.159 -16.733 -6.348 1.00 72.34 C ATOM 355 C ILE A 23 -6.811 -16.531 -5.665 1.00 55.40 C ATOM 356 O ILE A 23 -5.763 -16.598 -6.308 1.00 31.34 O ATOM 357 CB ILE A 23 -8.809 -15.359 -6.595 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.232 -15.532 -7.132 1.00 1.43 C ATOM 359 CG2 ILE A 23 -7.968 -14.541 -7.563 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.287 -16.172 -8.501 1.00 34.01 C ATOM 0 H ILE A 23 -9.791 -17.113 -5.087 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.007 -17.231 -7.306 1.00 72.34 H new ATOM 0 HB ILE A 23 -8.861 -14.823 -5.647 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -10.804 -16.141 -6.432 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -10.716 -14.556 -7.176 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.441 -13.573 -7.727 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -6.973 -14.392 -7.144 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -7.887 -15.071 -8.512 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -11.326 -16.263 -8.818 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.743 -15.553 -9.214 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.832 -17.162 -8.458 1.00 34.01 H new ATOM 372 N ILE A 24 -6.847 -16.284 -4.360 1.00 51.31 N ATOM 373 CA ILE A 24 -5.627 -16.074 -3.590 1.00 74.21 C ATOM 374 C ILE A 24 -4.642 -17.219 -3.799 1.00 44.54 C ATOM 375 O ILE A 24 -3.428 -17.014 -3.798 1.00 32.23 O ATOM 376 CB ILE A 24 -5.927 -15.939 -2.086 1.00 32.43 C ATOM 377 CG1 ILE A 24 -6.676 -14.634 -1.809 1.00 11.23 C ATOM 378 CG2 ILE A 24 -4.638 -15.997 -1.281 1.00 1.24 C ATOM 379 CD1 ILE A 24 -8.098 -14.840 -1.337 1.00 31.23 C ATOM 0 H ILE A 24 -7.707 -16.224 -3.814 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.183 -15.145 -3.949 1.00 74.21 H new ATOM 0 HB ILE A 24 -6.560 -16.772 -1.781 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -6.131 -14.065 -1.056 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -6.687 -14.032 -2.717 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -4.867 -15.900 -0.220 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.140 -16.950 -1.459 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -3.981 -15.182 -1.586 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -8.567 -13.872 -1.161 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -8.659 -15.382 -2.098 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -8.094 -15.415 -0.411 1.00 31.23 H new ATOM 391 N GLU A 25 -5.172 -18.425 -3.979 1.00 72.53 N ATOM 392 CA GLU A 25 -4.338 -19.603 -4.190 1.00 43.13 C ATOM 393 C GLU A 25 -3.652 -19.546 -5.552 1.00 2.50 C ATOM 394 O GLU A 25 -2.565 -20.092 -5.734 1.00 34.42 O ATOM 395 CB GLU A 25 -5.179 -20.876 -4.082 1.00 73.04 C ATOM 396 CG GLU A 25 -5.878 -21.033 -2.742 1.00 44.41 C ATOM 397 CD GLU A 25 -5.032 -21.773 -1.726 1.00 73.01 C ATOM 398 OE1 GLU A 25 -5.095 -23.021 -1.699 1.00 32.20 O ATOM 399 OE2 GLU A 25 -4.306 -21.108 -0.958 1.00 21.12 O1- ATOM 0 H GLU A 25 -6.175 -18.612 -3.983 1.00 72.53 H new ATOM 0 HA GLU A 25 -3.570 -19.617 -3.416 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -5.927 -20.875 -4.875 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -4.537 -21.741 -4.251 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -6.130 -20.048 -2.350 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -6.816 -21.568 -2.887 1.00 44.41 H new ATOM 406 N ALA A 26 -4.298 -18.882 -6.506 1.00 1.41 N ATOM 407 CA ALA A 26 -3.750 -18.753 -7.851 1.00 44.13 C ATOM 408 C ALA A 26 -2.488 -17.898 -7.849 1.00 13.13 C ATOM 409 O ALA A 26 -1.480 -18.262 -8.457 1.00 24.00 O ATOM 410 CB ALA A 26 -4.791 -18.161 -8.789 1.00 14.40 C ATOM 0 H ALA A 26 -5.200 -18.426 -6.372 1.00 1.41 H new ATOM 0 HA ALA A 26 -3.482 -19.748 -8.206 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.369 -18.070 -9.790 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -5.664 -18.813 -8.821 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.087 -17.176 -8.429 1.00 14.40 H new ATOM 416 N ILE A 27 -2.550 -16.761 -7.166 1.00 44.10 N ATOM 417 CA ILE A 27 -1.411 -15.854 -7.086 1.00 13.45 C ATOM 418 C ILE A 27 -0.180 -16.566 -6.536 1.00 13.44 C ATOM 419 O ILE A 27 0.912 -16.459 -7.093 1.00 54.42 O ATOM 420 CB ILE A 27 -1.723 -14.634 -6.201 1.00 20.00 C ATOM 421 CG1 ILE A 27 -2.824 -13.782 -6.838 1.00 25.54 C ATOM 422 CG2 ILE A 27 -0.467 -13.805 -5.979 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.216 -14.146 -6.371 1.00 74.33 C ATOM 0 H ILE A 27 -3.377 -16.445 -6.659 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.208 -15.513 -8.101 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.077 -14.988 -5.233 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -2.637 -12.732 -6.612 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -2.774 -13.889 -7.922 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -0.704 -12.946 -5.351 1.00 13.51 H new ATOM 0 HG22 ILE A 27 0.290 -14.416 -5.487 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.085 -13.458 -6.939 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -4.945 -13.502 -6.863 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.423 -15.186 -6.621 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.284 -14.012 -5.291 1.00 74.33 H new ATOM 435 N GLU A 28 -0.365 -17.293 -5.438 1.00 54.21 N ATOM 436 CA GLU A 28 0.732 -18.023 -4.812 1.00 54.51 C ATOM 437 C GLU A 28 1.356 -19.012 -5.793 1.00 43.41 C ATOM 438 O GLU A 28 2.569 -19.014 -6.001 1.00 43.02 O ATOM 439 CB GLU A 28 0.237 -18.764 -3.568 1.00 64.12 C ATOM 440 CG GLU A 28 -0.468 -17.866 -2.565 1.00 40.22 C ATOM 441 CD GLU A 28 -1.326 -18.645 -1.587 1.00 51.43 C ATOM 442 OE1 GLU A 28 -1.680 -19.802 -1.900 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -1.644 -18.100 -0.510 1.00 63.03 O ATOM 0 H GLU A 28 -1.263 -17.392 -4.964 1.00 54.21 H new ATOM 0 HA GLU A 28 1.493 -17.301 -4.516 1.00 54.51 H new ATOM 0 HB2 GLU A 28 -0.445 -19.557 -3.875 1.00 64.12 H new ATOM 0 HB3 GLU A 28 1.085 -19.244 -3.080 1.00 64.12 H new ATOM 0 HG2 GLU A 28 0.275 -17.291 -2.013 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.092 -17.150 -3.100 1.00 40.22 H new ATOM 450 N ALA A 29 0.518 -19.853 -6.390 1.00 30.04 N ATOM 451 CA ALA A 29 0.986 -20.845 -7.349 1.00 12.54 C ATOM 452 C ALA A 29 1.840 -20.201 -8.434 1.00 13.03 C ATOM 453 O ALA A 29 2.749 -20.828 -8.977 1.00 61.31 O ATOM 454 CB ALA A 29 -0.196 -21.578 -7.970 1.00 31.13 C ATOM 0 H ALA A 29 -0.489 -19.867 -6.226 1.00 30.04 H new ATOM 0 HA ALA A 29 1.607 -21.565 -6.815 1.00 12.54 H new ATOM 0 HB1 ALA A 29 0.168 -22.316 -8.685 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -0.765 -22.080 -7.187 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -0.839 -20.863 -8.483 1.00 31.13 H new ATOM 460 N ALA A 30 1.541 -18.943 -8.747 1.00 53.23 N ATOM 461 CA ALA A 30 2.283 -18.213 -9.767 1.00 23.45 C ATOM 462 C ALA A 30 3.651 -17.781 -9.248 1.00 61.02 C ATOM 463 O ALA A 30 4.678 -18.065 -9.865 1.00 51.44 O ATOM 464 CB ALA A 30 1.488 -17.004 -10.234 1.00 32.41 C ATOM 0 H ALA A 30 0.790 -18.410 -8.308 1.00 53.23 H new ATOM 0 HA ALA A 30 2.439 -18.881 -10.614 1.00 23.45 H new ATOM 0 HB1 ALA A 30 2.054 -16.468 -10.996 1.00 32.41 H new ATOM 0 HB2 ALA A 30 0.537 -17.334 -10.653 1.00 32.41 H new ATOM 0 HB3 ALA A 30 1.302 -16.342 -9.388 1.00 32.41 H new ATOM 470 N LEU A 31 3.657 -17.095 -8.111 1.00 5.35 N ATOM 471 CA LEU A 31 4.899 -16.623 -7.508 1.00 1.23 C ATOM 472 C LEU A 31 5.860 -17.781 -7.263 1.00 21.11 C ATOM 473 O LEU A 31 7.023 -17.733 -7.666 1.00 34.51 O ATOM 474 CB LEU A 31 4.607 -15.898 -6.193 1.00 45.33 C ATOM 475 CG LEU A 31 4.199 -14.430 -6.311 1.00 33.31 C ATOM 476 CD1 LEU A 31 2.685 -14.295 -6.296 1.00 53.12 C ATOM 477 CD2 LEU A 31 4.821 -13.612 -5.189 1.00 43.31 C ATOM 0 H LEU A 31 2.816 -16.853 -7.588 1.00 5.35 H new ATOM 0 HA LEU A 31 5.370 -15.927 -8.202 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.812 -16.434 -5.675 1.00 45.33 H new ATOM 0 HB3 LEU A 31 5.495 -15.958 -5.564 1.00 45.33 H new ATOM 0 HG LEU A 31 4.568 -14.045 -7.262 1.00 33.31 H new ATOM 0 HD11 LEU A 31 2.413 -13.243 -6.381 1.00 53.12 H new ATOM 0 HD12 LEU A 31 2.262 -14.848 -7.135 1.00 53.12 H new ATOM 0 HD13 LEU A 31 2.293 -14.697 -5.362 1.00 53.12 H new ATOM 0 HD21 LEU A 31 4.520 -12.569 -5.289 1.00 43.31 H new ATOM 0 HD22 LEU A 31 4.482 -13.997 -4.227 1.00 43.31 H new ATOM 0 HD23 LEU A 31 5.907 -13.683 -5.246 1.00 43.31 H new ATOM 489 N ILE A 32 5.366 -18.823 -6.602 1.00 24.45 N ATOM 490 CA ILE A 32 6.180 -19.995 -6.306 1.00 71.03 C ATOM 491 C ILE A 32 6.734 -20.616 -7.584 1.00 24.23 C ATOM 492 O ILE A 32 7.888 -21.043 -7.629 1.00 63.05 O ATOM 493 CB ILE A 32 5.375 -21.060 -5.538 1.00 60.21 C ATOM 494 CG1 ILE A 32 6.238 -22.296 -5.279 1.00 22.33 C ATOM 495 CG2 ILE A 32 4.120 -21.435 -6.311 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.834 -23.069 -4.044 1.00 4.22 C ATOM 0 H ILE A 32 4.406 -18.879 -6.262 1.00 24.45 H new ATOM 0 HA ILE A 32 7.007 -19.656 -5.682 1.00 71.03 H new ATOM 0 HB ILE A 32 5.075 -20.643 -4.577 1.00 60.21 H new ATOM 0 HG12 ILE A 32 6.182 -22.956 -6.145 1.00 22.33 H new ATOM 0 HG13 ILE A 32 7.279 -21.988 -5.180 1.00 22.33 H new ATOM 0 HG21 ILE A 32 3.562 -22.189 -5.755 1.00 41.15 H new ATOM 0 HG22 ILE A 32 3.498 -20.550 -6.447 1.00 41.15 H new ATOM 0 HG23 ILE A 32 4.399 -21.836 -7.286 1.00 41.15 H new ATOM 0 HD11 ILE A 32 6.490 -23.932 -3.924 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.917 -22.425 -3.168 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.803 -23.408 -4.148 1.00 4.22 H new ATOM 508 N SER A 33 5.903 -20.663 -8.620 1.00 23.51 N ATOM 509 CA SER A 33 6.309 -21.234 -9.899 1.00 62.33 C ATOM 510 C SER A 33 7.388 -20.380 -10.557 1.00 1.44 C ATOM 511 O SER A 33 8.236 -20.888 -11.290 1.00 2.10 O ATOM 512 CB SER A 33 5.102 -21.361 -10.831 1.00 3.21 C ATOM 513 OG SER A 33 5.496 -21.270 -12.189 1.00 24.42 O ATOM 0 H SER A 33 4.945 -20.313 -8.599 1.00 23.51 H new ATOM 0 HA SER A 33 6.720 -22.226 -9.712 1.00 62.33 H new ATOM 0 HB2 SER A 33 4.603 -22.314 -10.657 1.00 3.21 H new ATOM 0 HB3 SER A 33 4.380 -20.577 -10.605 1.00 3.21 H new ATOM 0 HG SER A 33 4.708 -21.356 -12.765 1.00 24.42 H new ATOM 519 N ALA A 34 7.347 -19.078 -10.291 1.00 22.53 N ATOM 520 CA ALA A 34 8.322 -18.153 -10.855 1.00 1.34 C ATOM 521 C ALA A 34 9.683 -18.313 -10.188 1.00 52.14 C ATOM 522 O ALA A 34 10.718 -18.298 -10.853 1.00 62.24 O ATOM 523 CB ALA A 34 7.829 -16.720 -10.718 1.00 23.24 C ATOM 0 H ALA A 34 6.649 -18.641 -9.689 1.00 22.53 H new ATOM 0 HA ALA A 34 8.438 -18.387 -11.913 1.00 1.34 H new ATOM 0 HB1 ALA A 34 8.567 -16.039 -11.143 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.884 -16.608 -11.249 1.00 23.24 H new ATOM 0 HB3 ALA A 34 7.683 -16.485 -9.664 1.00 23.24 H new ATOM 529 N TYR A 35 9.674 -18.465 -8.868 1.00 60.44 N ATOM 530 CA TYR A 35 10.909 -18.624 -8.109 1.00 42.44 C ATOM 531 C TYR A 35 11.427 -20.056 -8.208 1.00 40.45 C ATOM 532 O TYR A 35 12.626 -20.304 -8.081 1.00 13.24 O ATOM 533 CB TYR A 35 10.683 -18.252 -6.643 1.00 14.41 C ATOM 534 CG TYR A 35 11.869 -18.548 -5.752 1.00 55.14 C ATOM 535 CD1 TYR A 35 12.034 -19.801 -5.177 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.824 -17.575 -5.488 1.00 31.21 C ATOM 537 CE1 TYR A 35 13.116 -20.076 -4.363 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.909 -17.840 -4.677 1.00 13.02 C ATOM 539 CZ TYR A 35 14.050 -19.093 -4.115 1.00 1.20 C ATOM 540 OH TYR A 35 15.130 -19.362 -3.306 1.00 72.42 O ATOM 0 H TYR A 35 8.826 -18.481 -8.302 1.00 60.44 H new ATOM 0 HA TYR A 35 11.657 -17.955 -8.535 1.00 42.44 H new ATOM 0 HB2 TYR A 35 10.447 -17.190 -6.579 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.814 -18.794 -6.269 1.00 14.41 H new ATOM 0 HD1 TYR A 35 11.304 -20.574 -5.369 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.716 -16.593 -5.925 1.00 31.21 H new ATOM 0 HE1 TYR A 35 13.229 -21.056 -3.923 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.643 -17.072 -4.483 1.00 13.02 H new ATOM 0 HH TYR A 35 15.693 -18.563 -3.235 1.00 72.42 H new ATOM 550 N LYS A 36 10.515 -20.994 -8.435 1.00 5.13 N ATOM 551 CA LYS A 36 10.877 -22.402 -8.553 1.00 11.15 C ATOM 552 C LYS A 36 11.801 -22.627 -9.745 1.00 32.14 C ATOM 553 O LYS A 36 12.691 -23.477 -9.700 1.00 62.43 O ATOM 554 CB LYS A 36 9.621 -23.262 -8.697 1.00 64.34 C ATOM 555 CG LYS A 36 9.904 -24.755 -8.709 1.00 20.30 C ATOM 556 CD LYS A 36 8.747 -25.547 -8.122 1.00 1.42 C ATOM 557 CE LYS A 36 8.710 -25.438 -6.606 1.00 45.53 C ATOM 558 NZ LYS A 36 8.300 -26.719 -5.968 1.00 21.13 N1+ ATOM 0 H LYS A 36 9.518 -20.805 -8.541 1.00 5.13 H new ATOM 0 HA LYS A 36 11.406 -22.693 -7.646 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.940 -23.036 -7.876 1.00 64.34 H new ATOM 0 HB3 LYS A 36 9.109 -22.990 -9.620 1.00 64.34 H new ATOM 0 HG2 LYS A 36 10.089 -25.083 -9.732 1.00 20.30 H new ATOM 0 HG3 LYS A 36 10.811 -24.959 -8.140 1.00 20.30 H new ATOM 0 HD2 LYS A 36 7.807 -25.182 -8.537 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.838 -26.594 -8.411 1.00 1.42 H new ATOM 0 HE2 LYS A 36 9.694 -25.148 -6.239 1.00 45.53 H new ATOM 0 HE3 LYS A 36 8.016 -24.649 -6.315 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 8.287 -26.604 -4.935 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 7.350 -26.983 -6.299 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 8.976 -27.466 -6.224 1.00 21.13 H new ATOM 572 N ARG A 37 11.585 -21.861 -10.809 1.00 74.25 N ATOM 573 CA ARG A 37 12.398 -21.978 -12.013 1.00 53.51 C ATOM 574 C ARG A 37 13.876 -21.776 -11.692 1.00 13.30 C ATOM 575 O ARG A 37 14.749 -22.240 -12.423 1.00 74.35 O ATOM 576 CB ARG A 37 11.948 -20.957 -13.060 1.00 25.33 C ATOM 577 CG ARG A 37 10.700 -21.374 -13.820 1.00 1.44 C ATOM 578 CD ARG A 37 10.505 -20.534 -15.073 1.00 4.13 C ATOM 579 NE ARG A 37 9.735 -19.322 -14.805 1.00 22.22 N ATOM 580 CZ ARG A 37 9.551 -18.356 -15.697 1.00 71.43 C ATOM 581 NH1 ARG A 37 10.077 -18.460 -16.910 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 8.839 -17.283 -15.378 1.00 43.33 N ATOM 0 H ARG A 37 10.853 -21.152 -10.862 1.00 74.25 H new ATOM 0 HA ARG A 37 12.265 -22.982 -12.415 1.00 53.51 H new ATOM 0 HB2 ARG A 37 11.761 -20.003 -12.568 1.00 25.33 H new ATOM 0 HB3 ARG A 37 12.759 -20.796 -13.770 1.00 25.33 H new ATOM 0 HG2 ARG A 37 10.774 -22.426 -14.094 1.00 1.44 H new ATOM 0 HG3 ARG A 37 9.828 -21.273 -13.174 1.00 1.44 H new ATOM 0 HD2 ARG A 37 11.478 -20.262 -15.482 1.00 4.13 H new ATOM 0 HD3 ARG A 37 9.995 -21.127 -15.832 1.00 4.13 H new ATOM 0 HE ARG A 37 9.316 -19.212 -13.882 1.00 22.22 H new ATOM 0 HH11 ARG A 37 10.624 -19.284 -17.160 1.00 64.15 H new ATOM 0 HH12 ARG A 37 9.934 -17.716 -17.593 1.00 64.15 H new ATOM 0 HH21 ARG A 37 8.432 -17.199 -14.446 1.00 43.33 H new ATOM 0 HH22 ARG A 37 8.698 -16.542 -16.064 1.00 43.33 H new ATOM 596 N ASN A 38 14.148 -21.078 -10.594 1.00 64.14 N ATOM 597 CA ASN A 38 15.520 -20.813 -10.177 1.00 2.44 C ATOM 598 C ASN A 38 16.176 -22.077 -9.628 1.00 62.25 C ATOM 599 O ASN A 38 17.283 -22.437 -10.026 1.00 62.41 O ATOM 600 CB ASN A 38 15.549 -19.709 -9.118 1.00 14.03 C ATOM 601 CG ASN A 38 15.091 -18.370 -9.665 1.00 30.51 C ATOM 602 OD1 ASN A 38 13.779 -18.193 -9.770 1.00 23.41 O flip ATOM 603 ND2 ASN A 38 15.908 -17.508 -9.989 1.00 43.51 N flip ATOM 0 H ASN A 38 13.437 -20.686 -9.977 1.00 64.14 H new ATOM 0 HA ASN A 38 16.082 -20.484 -11.051 1.00 2.44 H new ATOM 0 HB2 ASN A 38 14.910 -19.994 -8.282 1.00 14.03 H new ATOM 0 HB3 ASN A 38 16.562 -19.611 -8.727 1.00 14.03 H new ATOM 0 HD21 ASN A 38 16.907 -17.689 -9.890 1.00 43.51 H new ATOM 0 HD22 ASN A 38 15.586 -16.612 -10.356 1.00 43.51 H new ATOM 610 N PHE A 39 15.482 -22.746 -8.712 1.00 74.50 N ATOM 611 CA PHE A 39 15.997 -23.970 -8.108 1.00 13.22 C ATOM 612 C PHE A 39 14.886 -25.002 -7.939 1.00 13.23 C ATOM 613 O PHE A 39 14.482 -25.319 -6.821 1.00 12.23 O ATOM 614 CB PHE A 39 16.634 -23.664 -6.750 1.00 22.33 C ATOM 615 CG PHE A 39 17.892 -22.849 -6.849 1.00 63.55 C ATOM 616 CD1 PHE A 39 19.054 -23.401 -7.365 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.913 -21.529 -6.426 1.00 1.45 C ATOM 618 CE1 PHE A 39 20.212 -22.653 -7.456 1.00 20.44 C ATOM 619 CE2 PHE A 39 19.068 -20.777 -6.514 1.00 73.20 C ATOM 620 CZ PHE A 39 20.220 -21.338 -7.030 1.00 41.30 C ATOM 0 H PHE A 39 14.563 -22.462 -8.372 1.00 74.50 H new ATOM 0 HA PHE A 39 16.755 -24.383 -8.773 1.00 13.22 H new ATOM 0 HB2 PHE A 39 15.913 -23.131 -6.131 1.00 22.33 H new ATOM 0 HB3 PHE A 39 16.857 -24.602 -6.242 1.00 22.33 H new ATOM 0 HD1 PHE A 39 19.054 -24.428 -7.700 1.00 54.30 H new ATOM 0 HD2 PHE A 39 17.016 -21.083 -6.023 1.00 1.45 H new ATOM 0 HE1 PHE A 39 21.111 -23.096 -7.860 1.00 20.44 H new ATOM 0 HE2 PHE A 39 19.071 -19.750 -6.179 1.00 73.20 H new ATOM 0 HZ PHE A 39 21.124 -20.751 -7.100 1.00 41.30 H new ATOM 630 N ASN A 40 14.395 -25.522 -9.060 1.00 5.11 N ATOM 631 CA ASN A 40 13.330 -26.517 -9.037 1.00 31.44 C ATOM 632 C ASN A 40 13.872 -27.886 -8.636 1.00 13.21 C ATOM 633 O ASN A 40 13.362 -28.519 -7.712 1.00 10.21 O ATOM 634 CB ASN A 40 12.658 -26.606 -10.410 1.00 21.11 C ATOM 635 CG ASN A 40 13.664 -26.698 -11.541 1.00 35.33 C ATOM 636 OD1 ASN A 40 14.315 -25.712 -11.889 1.00 34.12 O ATOM 637 ND2 ASN A 40 13.795 -27.885 -12.122 1.00 33.42 N ATOM 0 H ASN A 40 14.718 -25.271 -9.994 1.00 5.11 H new ATOM 0 HA ASN A 40 12.593 -26.206 -8.297 1.00 31.44 H new ATOM 0 HB2 ASN A 40 12.005 -27.479 -10.436 1.00 21.11 H new ATOM 0 HB3 ASN A 40 12.026 -25.731 -10.560 1.00 21.11 H new ATOM 0 HD21 ASN A 40 14.456 -28.007 -12.889 1.00 33.42 H new ATOM 0 HD22 ASN A 40 13.235 -28.675 -11.801 1.00 33.42 H new ATOM 644 N GLN A 41 14.910 -28.335 -9.335 1.00 42.41 N ATOM 645 CA GLN A 41 15.521 -29.628 -9.050 1.00 32.21 C ATOM 646 C GLN A 41 16.628 -29.489 -8.010 1.00 10.23 C ATOM 647 O GLN A 41 17.387 -30.427 -7.770 1.00 2.54 O ATOM 648 CB GLN A 41 16.084 -30.243 -10.333 1.00 24.30 C ATOM 649 CG GLN A 41 17.234 -29.451 -10.934 1.00 23.03 C ATOM 650 CD GLN A 41 17.556 -29.876 -12.353 1.00 60.23 C ATOM 651 OE1 GLN A 41 16.677 -30.308 -13.099 1.00 25.31 O ATOM 652 NE2 GLN A 41 18.822 -29.757 -12.734 1.00 53.52 N ATOM 0 H GLN A 41 15.345 -27.823 -10.102 1.00 42.41 H new ATOM 0 HA GLN A 41 14.750 -30.286 -8.648 1.00 32.21 H new ATOM 0 HB2 GLN A 41 16.424 -31.257 -10.121 1.00 24.30 H new ATOM 0 HB3 GLN A 41 15.284 -30.322 -11.069 1.00 24.30 H new ATOM 0 HG2 GLN A 41 16.984 -28.390 -10.924 1.00 23.03 H new ATOM 0 HG3 GLN A 41 18.120 -29.575 -10.312 1.00 23.03 H new ATOM 0 HE21 GLN A 41 19.518 -29.394 -12.083 1.00 53.52 H new ATOM 0 HE22 GLN A 41 19.098 -30.028 -13.678 1.00 53.52 H new ATOM 661 N ALA A 42 16.714 -28.312 -7.398 1.00 53.10 N ATOM 662 CA ALA A 42 17.728 -28.052 -6.384 1.00 45.11 C ATOM 663 C ALA A 42 17.134 -28.129 -4.981 1.00 30.22 C ATOM 664 O ALA A 42 17.781 -28.604 -4.049 1.00 53.42 O ATOM 665 CB ALA A 42 18.368 -26.690 -6.614 1.00 52.01 C ATOM 0 H ALA A 42 16.094 -27.524 -7.587 1.00 53.10 H new ATOM 0 HA ALA A 42 18.496 -28.821 -6.468 1.00 45.11 H new ATOM 0 HB1 ALA A 42 19.123 -26.509 -5.849 1.00 52.01 H new ATOM 0 HB2 ALA A 42 18.836 -26.669 -7.598 1.00 52.01 H new ATOM 0 HB3 ALA A 42 17.604 -25.915 -6.559 1.00 52.01 H new ATOM 671 N GLN A 43 15.899 -27.658 -4.841 1.00 44.33 N ATOM 672 CA GLN A 43 15.219 -27.673 -3.551 1.00 63.21 C ATOM 673 C GLN A 43 13.780 -27.185 -3.688 1.00 62.24 C ATOM 674 O GLN A 43 13.454 -26.435 -4.608 1.00 74.55 O ATOM 675 CB GLN A 43 15.971 -26.802 -2.544 1.00 72.12 C ATOM 676 CG GLN A 43 15.739 -27.207 -1.097 1.00 43.55 C ATOM 677 CD GLN A 43 16.094 -26.104 -0.119 1.00 74.41 C ATOM 678 OE1 GLN A 43 15.097 -25.613 0.609 1.00 53.02 O flip ATOM 679 NE2 GLN A 43 17.251 -25.697 -0.017 1.00 50.05 N flip ATOM 0 H GLN A 43 15.350 -27.262 -5.604 1.00 44.33 H new ATOM 0 HA GLN A 43 15.202 -28.701 -3.190 1.00 63.21 H new ATOM 0 HB2 GLN A 43 17.038 -26.851 -2.760 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.666 -25.764 -2.675 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.693 -27.483 -0.964 1.00 43.55 H new ATOM 0 HG3 GLN A 43 16.333 -28.093 -0.872 1.00 43.55 H new ATOM 0 HE21 GLN A 43 17.987 -26.102 -0.596 1.00 50.05 H new ATOM 0 HE22 GLN A 43 17.474 -24.955 0.646 1.00 50.05 H new ATOM 688 N ASN A 44 12.924 -27.616 -2.767 1.00 61.24 N ATOM 689 CA ASN A 44 11.519 -27.223 -2.787 1.00 5.03 C ATOM 690 C ASN A 44 11.345 -25.801 -2.265 1.00 45.14 C ATOM 691 O ASN A 44 12.321 -25.113 -1.966 1.00 15.42 O ATOM 692 CB ASN A 44 10.686 -28.193 -1.947 1.00 2.54 C ATOM 693 CG ASN A 44 11.000 -28.092 -0.466 1.00 33.50 C ATOM 694 OD1 ASN A 44 11.951 -27.422 -0.066 1.00 53.44 O ATOM 695 ND2 ASN A 44 10.199 -28.762 0.354 1.00 2.43 N ATOM 0 H ASN A 44 13.178 -28.237 -1.998 1.00 61.24 H new ATOM 0 HA ASN A 44 11.172 -27.256 -3.820 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.627 -27.990 -2.106 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.869 -29.213 -2.286 1.00 2.54 H new ATOM 0 HD21 ASN A 44 10.361 -28.734 1.361 1.00 2.43 H new ATOM 0 HD22 ASN A 44 9.422 -29.305 -0.023 1.00 2.43 H new ATOM 702 N VAL A 45 10.094 -25.365 -2.157 1.00 44.30 N ATOM 703 CA VAL A 45 9.790 -24.025 -1.670 1.00 71.11 C ATOM 704 C VAL A 45 8.287 -23.826 -1.509 1.00 24.13 C ATOM 705 O VAL A 45 7.488 -24.508 -2.151 1.00 24.45 O ATOM 706 CB VAL A 45 10.342 -22.944 -2.618 1.00 60.41 C ATOM 707 CG1 VAL A 45 9.541 -22.908 -3.911 1.00 23.33 C ATOM 708 CG2 VAL A 45 10.332 -21.583 -1.938 1.00 21.34 C ATOM 0 H VAL A 45 9.274 -25.921 -2.400 1.00 44.30 H new ATOM 0 HA VAL A 45 10.273 -23.925 -0.698 1.00 71.11 H new ATOM 0 HB VAL A 45 11.374 -23.194 -2.864 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.946 -22.138 -4.568 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.604 -23.877 -4.405 1.00 23.33 H new ATOM 0 HG13 VAL A 45 8.498 -22.683 -3.687 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.725 -20.831 -2.622 1.00 21.34 H new ATOM 0 HG22 VAL A 45 9.311 -21.322 -1.661 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.953 -21.619 -1.043 1.00 21.34 H new ATOM 718 N ARG A 46 7.909 -22.885 -0.649 1.00 33.25 N ATOM 719 CA ARG A 46 6.501 -22.597 -0.404 1.00 13.25 C ATOM 720 C ARG A 46 6.269 -21.094 -0.273 1.00 35.22 C ATOM 721 O ARG A 46 7.051 -20.388 0.365 1.00 45.34 O ATOM 722 CB ARG A 46 6.026 -23.310 0.864 1.00 60.23 C ATOM 723 CG ARG A 46 6.039 -24.826 0.751 1.00 34.50 C ATOM 724 CD ARG A 46 4.974 -25.322 -0.215 1.00 54.54 C ATOM 725 NE ARG A 46 3.624 -25.026 0.260 1.00 74.02 N ATOM 726 CZ ARG A 46 2.535 -25.169 -0.488 1.00 73.42 C ATOM 727 NH1 ARG A 46 2.637 -25.602 -1.737 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 1.342 -24.878 0.014 1.00 42.44 N ATOM 0 H ARG A 46 8.557 -22.310 -0.111 1.00 33.25 H new ATOM 0 HA ARG A 46 5.927 -22.963 -1.255 1.00 13.25 H new ATOM 0 HB2 ARG A 46 6.660 -23.011 1.698 1.00 60.23 H new ATOM 0 HB3 ARG A 46 5.014 -22.980 1.099 1.00 60.23 H new ATOM 0 HG2 ARG A 46 7.021 -25.158 0.414 1.00 34.50 H new ATOM 0 HG3 ARG A 46 5.874 -25.267 1.734 1.00 34.50 H new ATOM 0 HD2 ARG A 46 5.125 -24.859 -1.190 1.00 54.54 H new ATOM 0 HD3 ARG A 46 5.082 -26.398 -0.353 1.00 54.54 H new ATOM 0 HE ARG A 46 3.512 -24.692 1.217 1.00 74.02 H new ATOM 0 HH11 ARG A 46 3.553 -25.826 -2.126 1.00 53.11 H new ATOM 0 HH12 ARG A 46 1.800 -25.711 -2.309 1.00 53.11 H new ATOM 0 HH21 ARG A 46 1.260 -24.544 0.974 1.00 42.44 H new ATOM 0 HH22 ARG A 46 0.506 -24.988 -0.560 1.00 42.44 H new ATOM 742 N VAL A 47 5.191 -20.612 -0.881 1.00 13.15 N ATOM 743 CA VAL A 47 4.855 -19.194 -0.831 1.00 40.55 C ATOM 744 C VAL A 47 3.474 -18.977 -0.223 1.00 21.11 C ATOM 745 O VAL A 47 2.560 -19.774 -0.432 1.00 40.40 O ATOM 746 CB VAL A 47 4.891 -18.559 -2.235 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.507 -17.090 -2.167 1.00 73.12 C ATOM 748 CG2 VAL A 47 6.267 -18.732 -2.861 1.00 3.11 C ATOM 0 H VAL A 47 4.535 -21.182 -1.414 1.00 13.15 H new ATOM 0 HA VAL A 47 5.605 -18.713 -0.203 1.00 40.55 H new ATOM 0 HB VAL A 47 4.163 -19.070 -2.865 1.00 43.43 H new ATOM 0 HG11 VAL A 47 4.538 -16.659 -3.168 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.499 -16.996 -1.763 1.00 73.12 H new ATOM 0 HG13 VAL A 47 5.208 -16.560 -1.522 1.00 73.12 H new ATOM 0 HG21 VAL A 47 6.276 -18.278 -3.852 1.00 3.11 H new ATOM 0 HG22 VAL A 47 7.016 -18.248 -2.234 1.00 3.11 H new ATOM 0 HG23 VAL A 47 6.497 -19.794 -2.946 1.00 3.11 H new ATOM 758 N ASP A 48 3.329 -17.891 0.530 1.00 31.11 N ATOM 759 CA ASP A 48 2.059 -17.567 1.168 1.00 72.44 C ATOM 760 C ASP A 48 1.613 -16.154 0.804 1.00 70.23 C ATOM 761 O ASP A 48 2.327 -15.183 1.058 1.00 21.40 O ATOM 762 CB ASP A 48 2.177 -17.703 2.687 1.00 33.25 C ATOM 763 CG ASP A 48 1.353 -18.854 3.230 1.00 71.03 C ATOM 764 OD1 ASP A 48 0.178 -18.983 2.829 1.00 32.52 O1- ATOM 765 OD2 ASP A 48 1.883 -19.625 4.058 1.00 23.12 O ATOM 0 H ASP A 48 4.076 -17.221 0.713 1.00 31.11 H new ATOM 0 HA ASP A 48 1.309 -18.270 0.806 1.00 72.44 H new ATOM 0 HB2 ASP A 48 3.223 -17.850 2.956 1.00 33.25 H new ATOM 0 HB3 ASP A 48 1.854 -16.775 3.158 1.00 33.25 H new ATOM 770 N LEU A 49 0.431 -16.047 0.209 1.00 24.33 N ATOM 771 CA LEU A 49 -0.110 -14.752 -0.190 1.00 74.30 C ATOM 772 C LEU A 49 -0.996 -14.171 0.907 1.00 41.23 C ATOM 773 O LEU A 49 -2.007 -14.764 1.282 1.00 13.24 O ATOM 774 CB LEU A 49 -0.909 -14.889 -1.488 1.00 25.14 C ATOM 775 CG LEU A 49 -1.506 -13.598 -2.048 1.00 4.23 C ATOM 776 CD1 LEU A 49 -2.801 -13.253 -1.328 1.00 52.13 C ATOM 777 CD2 LEU A 49 -0.509 -12.455 -1.932 1.00 21.20 C ATOM 0 H LEU A 49 -0.172 -16.841 -0.008 1.00 24.33 H new ATOM 0 HA LEU A 49 0.726 -14.072 -0.355 1.00 74.30 H new ATOM 0 HB2 LEU A 49 -0.259 -15.324 -2.247 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -1.720 -15.597 -1.319 1.00 25.14 H new ATOM 0 HG LEU A 49 -1.730 -13.752 -3.103 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -3.212 -12.331 -1.740 1.00 52.13 H new ATOM 0 HD12 LEU A 49 -3.519 -14.062 -1.463 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -2.601 -13.118 -0.265 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -0.951 -11.544 -2.336 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -0.253 -12.301 -0.884 1.00 21.20 H new ATOM 0 HD23 LEU A 49 0.393 -12.700 -2.493 1.00 21.20 H new ATOM 789 N ASN A 50 -0.611 -13.004 1.416 1.00 2.14 N ATOM 790 CA ASN A 50 -1.372 -12.341 2.468 1.00 51.24 C ATOM 791 C ASN A 50 -2.464 -11.456 1.876 1.00 73.32 C ATOM 792 O ASN A 50 -2.193 -10.355 1.396 1.00 30.13 O ATOM 793 CB ASN A 50 -0.442 -11.503 3.347 1.00 23.52 C ATOM 794 CG ASN A 50 -0.263 -12.097 4.731 1.00 61.45 C ATOM 795 OD1 ASN A 50 0.815 -12.583 5.075 1.00 42.53 O ATOM 796 ND2 ASN A 50 -1.322 -12.061 5.531 1.00 44.50 N ATOM 0 H ASN A 50 0.223 -12.499 1.117 1.00 2.14 H new ATOM 0 HA ASN A 50 -1.845 -13.110 3.079 1.00 51.24 H new ATOM 0 HB2 ASN A 50 0.531 -11.417 2.863 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -0.844 -10.494 3.437 1.00 23.52 H new ATOM 0 HD21 ASN A 50 -1.262 -12.446 6.474 1.00 44.50 H new ATOM 0 HD22 ASN A 50 -2.195 -11.648 5.203 1.00 44.50 H new ATOM 803 N ARG A 51 -3.699 -11.945 1.912 1.00 0.13 N ATOM 804 CA ARG A 51 -4.833 -11.200 1.378 1.00 51.01 C ATOM 805 C ARG A 51 -5.157 -9.997 2.260 1.00 31.24 C ATOM 806 O ARG A 51 -5.987 -9.162 1.906 1.00 2.24 O ATOM 807 CB ARG A 51 -6.059 -12.106 1.264 1.00 21.12 C ATOM 808 CG ARG A 51 -6.430 -12.796 2.566 1.00 33.14 C ATOM 809 CD ARG A 51 -7.801 -13.447 2.480 1.00 3.53 C ATOM 810 NE ARG A 51 -8.864 -12.543 2.914 1.00 0.04 N ATOM 811 CZ ARG A 51 -9.057 -12.192 4.180 1.00 72.34 C ATOM 812 NH1 ARG A 51 -8.263 -12.664 5.132 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -10.045 -11.365 4.497 1.00 73.32 N ATOM 0 H ARG A 51 -3.940 -12.855 2.306 1.00 0.13 H new ATOM 0 HA ARG A 51 -4.563 -10.840 0.385 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.908 -11.513 0.922 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.871 -12.863 0.502 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -5.682 -13.552 2.805 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -6.421 -12.070 3.379 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -7.989 -13.762 1.454 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -7.815 -14.346 3.097 1.00 3.53 H new ATOM 0 HE ARG A 51 -9.491 -12.161 2.206 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -7.501 -13.299 4.893 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -8.414 -12.392 6.103 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -10.657 -10.998 3.768 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -10.193 -11.096 5.470 1.00 73.32 H new ATOM 827 N GLU A 52 -4.495 -9.918 3.411 1.00 34.15 N ATOM 828 CA GLU A 52 -4.714 -8.819 4.343 1.00 24.22 C ATOM 829 C GLU A 52 -3.930 -7.581 3.920 1.00 0.20 C ATOM 830 O GLU A 52 -4.510 -6.551 3.575 1.00 22.35 O ATOM 831 CB GLU A 52 -4.308 -9.234 5.760 1.00 52.12 C ATOM 832 CG GLU A 52 -4.020 -8.059 6.679 1.00 75.31 C ATOM 833 CD GLU A 52 -4.520 -8.288 8.092 1.00 73.42 C ATOM 834 OE1 GLU A 52 -4.627 -9.463 8.500 1.00 11.41 O ATOM 835 OE2 GLU A 52 -4.804 -7.292 8.790 1.00 52.33 O1- ATOM 0 H GLU A 52 -3.804 -10.602 3.719 1.00 34.15 H new ATOM 0 HA GLU A 52 -5.776 -8.575 4.333 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -5.104 -9.838 6.195 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -3.422 -9.867 5.705 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -2.946 -7.876 6.703 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -4.487 -7.162 6.273 1.00 75.31 H new ATOM 842 N THR A 53 -2.604 -7.689 3.949 1.00 23.40 N ATOM 843 CA THR A 53 -1.739 -6.579 3.571 1.00 34.31 C ATOM 844 C THR A 53 -1.157 -6.786 2.176 1.00 54.44 C ATOM 845 O THR A 53 -0.174 -6.148 1.802 1.00 31.00 O ATOM 846 CB THR A 53 -0.584 -6.400 4.574 1.00 73.11 C ATOM 847 OG1 THR A 53 0.291 -7.532 4.522 1.00 13.41 O ATOM 848 CG2 THR A 53 -1.119 -6.230 5.988 1.00 32.42 C ATOM 0 H THR A 53 -2.107 -8.534 4.230 1.00 23.40 H new ATOM 0 HA THR A 53 -2.357 -5.681 3.575 1.00 34.31 H new ATOM 0 HB THR A 53 -0.030 -5.502 4.301 1.00 73.11 H new ATOM 0 HG1 THR A 53 1.023 -7.409 5.162 1.00 13.41 H new ATOM 0 HG21 THR A 53 -0.286 -6.105 6.680 1.00 32.42 H new ATOM 0 HG22 THR A 53 -1.761 -5.350 6.031 1.00 32.42 H new ATOM 0 HG23 THR A 53 -1.694 -7.113 6.268 1.00 32.42 H new ATOM 856 N GLY A 54 -1.773 -7.681 1.411 1.00 23.41 N ATOM 857 CA GLY A 54 -1.303 -7.956 0.065 1.00 44.31 C ATOM 858 C GLY A 54 0.183 -8.249 0.019 1.00 5.13 C ATOM 859 O GLY A 54 0.857 -7.929 -0.961 1.00 74.51 O ATOM 0 H GLY A 54 -2.589 -8.221 1.699 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -1.851 -8.806 -0.341 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.522 -7.101 -0.575 1.00 44.31 H new ATOM 863 N SER A 55 0.699 -8.857 1.083 1.00 33.40 N ATOM 864 CA SER A 55 2.116 -9.189 1.163 1.00 75.11 C ATOM 865 C SER A 55 2.360 -10.635 0.745 1.00 63.23 C ATOM 866 O SER A 55 1.418 -11.396 0.522 1.00 45.55 O ATOM 867 CB SER A 55 2.635 -8.960 2.584 1.00 55.25 C ATOM 868 OG SER A 55 3.688 -8.012 2.596 1.00 71.01 O ATOM 0 H SER A 55 0.156 -9.130 1.902 1.00 33.40 H new ATOM 0 HA SER A 55 2.657 -8.536 0.477 1.00 75.11 H new ATOM 0 HB2 SER A 55 1.821 -8.612 3.220 1.00 55.25 H new ATOM 0 HB3 SER A 55 2.986 -9.903 3.003 1.00 55.25 H new ATOM 0 HG SER A 55 4.001 -7.882 3.516 1.00 71.01 H new ATOM 874 N ILE A 56 3.632 -11.008 0.642 1.00 3.53 N ATOM 875 CA ILE A 56 4.001 -12.364 0.254 1.00 74.13 C ATOM 876 C ILE A 56 5.298 -12.796 0.929 1.00 0.40 C ATOM 877 O ILE A 56 6.231 -12.004 1.067 1.00 42.33 O ATOM 878 CB ILE A 56 4.164 -12.486 -1.273 1.00 73.52 C ATOM 879 CG1 ILE A 56 4.119 -13.956 -1.696 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.467 -11.840 -1.720 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.736 -14.433 -2.079 1.00 3.04 C ATOM 0 H ILE A 56 4.424 -10.390 0.822 1.00 3.53 H new ATOM 0 HA ILE A 56 3.191 -13.017 0.579 1.00 74.13 H new ATOM 0 HB ILE A 56 3.338 -11.963 -1.755 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.792 -14.103 -2.541 1.00 3.03 H new ATOM 0 HG13 ILE A 56 4.494 -14.572 -0.879 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.568 -11.934 -2.801 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.462 -10.785 -1.447 1.00 41.12 H new ATOM 0 HG23 ILE A 56 6.306 -12.337 -1.233 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.780 -15.483 -2.368 1.00 3.04 H new ATOM 0 HD12 ILE A 56 2.063 -14.318 -1.229 1.00 3.04 H new ATOM 0 HD13 ILE A 56 2.366 -13.842 -2.917 1.00 3.04 H new ATOM 893 N ARG A 57 5.350 -14.056 1.345 1.00 32.14 N ATOM 894 CA ARG A 57 6.534 -14.594 2.006 1.00 64.45 C ATOM 895 C ARG A 57 6.891 -15.968 1.447 1.00 32.01 C ATOM 896 O ARG A 57 6.044 -16.858 1.370 1.00 32.22 O ATOM 897 CB ARG A 57 6.302 -14.690 3.515 1.00 61.04 C ATOM 898 CG ARG A 57 6.168 -13.339 4.198 1.00 70.51 C ATOM 899 CD ARG A 57 7.441 -12.518 4.064 1.00 15.33 C ATOM 900 NE ARG A 57 7.611 -11.588 5.178 1.00 71.31 N ATOM 901 CZ ARG A 57 7.881 -11.971 6.420 1.00 72.11 C ATOM 902 NH1 ARG A 57 8.012 -13.259 6.707 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 8.023 -11.065 7.379 1.00 34.43 N ATOM 0 H ARG A 57 4.587 -14.724 1.237 1.00 32.14 H new ATOM 0 HA ARG A 57 7.366 -13.916 1.816 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.399 -15.272 3.699 1.00 61.04 H new ATOM 0 HB3 ARG A 57 7.130 -15.236 3.967 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.333 -12.791 3.762 1.00 70.51 H new ATOM 0 HG3 ARG A 57 5.937 -13.485 5.253 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.300 -13.187 4.015 1.00 15.33 H new ATOM 0 HD3 ARG A 57 7.417 -11.961 3.127 1.00 15.33 H new ATOM 0 HE ARG A 57 7.517 -10.590 4.991 1.00 71.31 H new ATOM 0 HH11 ARG A 57 7.905 -13.959 5.972 1.00 34.40 H new ATOM 0 HH12 ARG A 57 8.219 -13.550 7.662 1.00 34.40 H new ATOM 0 HH21 ARG A 57 7.925 -10.073 7.162 1.00 34.43 H new ATOM 0 HH22 ARG A 57 8.230 -11.360 8.333 1.00 34.43 H new ATOM 917 N VAL A 58 8.152 -16.134 1.058 1.00 42.34 N ATOM 918 CA VAL A 58 8.621 -17.399 0.506 1.00 43.54 C ATOM 919 C VAL A 58 9.501 -18.142 1.507 1.00 10.15 C ATOM 920 O VAL A 58 10.567 -17.660 1.888 1.00 73.04 O ATOM 921 CB VAL A 58 9.413 -17.183 -0.797 1.00 23.50 C ATOM 922 CG1 VAL A 58 9.624 -18.505 -1.519 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.700 -16.184 -1.694 1.00 4.35 C ATOM 0 H VAL A 58 8.866 -15.408 1.115 1.00 42.34 H new ATOM 0 HA VAL A 58 7.737 -17.998 0.289 1.00 43.54 H new ATOM 0 HB VAL A 58 10.391 -16.775 -0.544 1.00 23.50 H new ATOM 0 HG11 VAL A 58 10.185 -18.333 -2.437 1.00 55.51 H new ATOM 0 HG12 VAL A 58 10.181 -19.186 -0.876 1.00 55.51 H new ATOM 0 HG13 VAL A 58 8.657 -18.945 -1.762 1.00 55.51 H new ATOM 0 HG21 VAL A 58 9.274 -16.043 -2.610 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.708 -16.561 -1.941 1.00 4.35 H new ATOM 0 HG23 VAL A 58 8.607 -15.230 -1.174 1.00 4.35 H new ATOM 933 N PHE A 59 9.046 -19.318 1.926 1.00 1.31 N ATOM 934 CA PHE A 59 9.791 -20.127 2.882 1.00 44.44 C ATOM 935 C PHE A 59 10.173 -21.474 2.274 1.00 1.24 C ATOM 936 O PHE A 59 9.431 -22.036 1.469 1.00 3.23 O ATOM 937 CB PHE A 59 8.965 -20.345 4.152 1.00 43.13 C ATOM 938 CG PHE A 59 8.521 -19.067 4.804 1.00 34.01 C ATOM 939 CD1 PHE A 59 9.409 -18.311 5.554 1.00 52.45 C ATOM 940 CD2 PHE A 59 7.217 -18.621 4.669 1.00 45.01 C ATOM 941 CE1 PHE A 59 9.005 -17.135 6.155 1.00 33.32 C ATOM 942 CE2 PHE A 59 6.807 -17.445 5.267 1.00 52.11 C ATOM 943 CZ PHE A 59 7.701 -16.702 6.013 1.00 33.22 C ATOM 0 H PHE A 59 8.166 -19.731 1.619 1.00 1.31 H new ATOM 0 HA PHE A 59 10.705 -19.591 3.138 1.00 44.44 H new ATOM 0 HB2 PHE A 59 8.087 -20.943 3.907 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.554 -20.922 4.865 1.00 43.13 H new ATOM 0 HD1 PHE A 59 10.429 -18.646 5.670 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.512 -19.199 4.090 1.00 45.01 H new ATOM 0 HE1 PHE A 59 9.707 -16.555 6.735 1.00 33.32 H new ATOM 0 HE2 PHE A 59 5.788 -17.107 5.151 1.00 52.11 H new ATOM 0 HZ PHE A 59 7.381 -15.784 6.484 1.00 33.22 H new ATOM 953 N ALA A 60 11.336 -21.985 2.664 1.00 64.33 N ATOM 954 CA ALA A 60 11.816 -23.264 2.159 1.00 61.55 C ATOM 955 C ALA A 60 11.499 -24.394 3.135 1.00 45.11 C ATOM 956 O ALA A 60 11.849 -24.326 4.313 1.00 31.21 O ATOM 957 CB ALA A 60 13.314 -23.199 1.895 1.00 21.41 C ATOM 0 H ALA A 60 11.963 -21.532 3.329 1.00 64.33 H new ATOM 0 HA ALA A 60 11.301 -23.472 1.221 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.659 -24.162 1.518 1.00 21.41 H new ATOM 0 HB2 ALA A 60 13.520 -22.425 1.156 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.837 -22.964 2.822 1.00 21.41 H new ATOM 963 N ARG A 61 10.832 -25.430 2.636 1.00 41.23 N ATOM 964 CA ARG A 61 10.466 -26.572 3.464 1.00 72.14 C ATOM 965 C ARG A 61 11.572 -27.624 3.460 1.00 20.13 C ATOM 966 O ARG A 61 11.924 -28.165 2.412 1.00 1.01 O ATOM 967 CB ARG A 61 9.158 -27.190 2.967 1.00 64.24 C ATOM 968 CG ARG A 61 7.933 -26.726 3.739 1.00 32.03 C ATOM 969 CD ARG A 61 6.710 -27.561 3.397 1.00 70.43 C ATOM 970 NE ARG A 61 6.949 -28.989 3.595 1.00 4.21 N ATOM 971 CZ ARG A 61 6.209 -29.942 3.040 1.00 31.53 C ATOM 972 NH1 ARG A 61 5.187 -29.622 2.259 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 6.490 -31.219 3.268 1.00 24.30 N ATOM 0 H ARG A 61 10.534 -25.501 1.663 1.00 41.23 H new ATOM 0 HA ARG A 61 10.328 -26.219 4.486 1.00 72.14 H new ATOM 0 HB2 ARG A 61 9.027 -26.944 1.913 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.230 -28.276 3.035 1.00 64.24 H new ATOM 0 HG2 ARG A 61 8.130 -26.789 4.809 1.00 32.03 H new ATOM 0 HG3 ARG A 61 7.734 -25.678 3.513 1.00 32.03 H new ATOM 0 HD2 ARG A 61 5.870 -27.245 4.016 1.00 70.43 H new ATOM 0 HD3 ARG A 61 6.427 -27.381 2.360 1.00 70.43 H new ATOM 0 HE ARG A 61 7.727 -29.269 4.192 1.00 4.21 H new ATOM 0 HH11 ARG A 61 4.967 -28.642 2.083 1.00 71.04 H new ATOM 0 HH12 ARG A 61 4.620 -30.356 1.834 1.00 71.04 H new ATOM 0 HH21 ARG A 61 7.275 -31.469 3.870 1.00 24.30 H new ATOM 0 HH22 ARG A 61 5.921 -31.950 2.841 1.00 24.30 H new ATOM 987 N LYS A 62 12.115 -27.908 4.638 1.00 10.33 N ATOM 988 CA LYS A 62 13.181 -28.895 4.772 1.00 21.43 C ATOM 989 C LYS A 62 12.743 -30.049 5.668 1.00 75.40 C ATOM 990 O LYS A 62 12.128 -29.837 6.714 1.00 2.42 O ATOM 991 CB LYS A 62 14.440 -28.241 5.343 1.00 43.22 C ATOM 992 CG LYS A 62 15.319 -27.590 4.288 1.00 41.54 C ATOM 993 CD LYS A 62 16.132 -26.446 4.869 1.00 43.23 C ATOM 994 CE LYS A 62 17.585 -26.844 5.080 1.00 43.44 C ATOM 995 NZ LYS A 62 18.333 -25.823 5.864 1.00 24.24 N1+ ATOM 0 H LYS A 62 11.835 -27.469 5.515 1.00 10.33 H new ATOM 0 HA LYS A 62 13.403 -29.291 3.781 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.148 -27.489 6.076 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.022 -28.994 5.874 1.00 43.22 H new ATOM 0 HG2 LYS A 62 15.991 -28.335 3.862 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.697 -27.219 3.473 1.00 41.54 H new ATOM 0 HD2 LYS A 62 16.083 -25.587 4.200 1.00 43.23 H new ATOM 0 HD3 LYS A 62 15.697 -26.135 5.819 1.00 43.23 H new ATOM 0 HE2 LYS A 62 17.627 -27.802 5.598 1.00 43.44 H new ATOM 0 HE3 LYS A 62 18.067 -26.983 4.112 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 18.958 -26.298 6.546 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 18.904 -25.240 5.219 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 17.660 -25.217 6.375 1.00 24.24 H new ATOM 1009 N ASP A 63 13.066 -31.269 5.253 1.00 23.54 N ATOM 1010 CA ASP A 63 12.708 -32.457 6.020 1.00 42.41 C ATOM 1011 C ASP A 63 13.631 -32.626 7.223 1.00 73.33 C ATOM 1012 O ASP A 63 14.827 -32.878 7.070 1.00 62.32 O ATOM 1013 CB ASP A 63 12.773 -33.701 5.133 1.00 73.01 C ATOM 1014 CG ASP A 63 11.434 -34.404 5.022 1.00 64.14 C ATOM 1015 OD1 ASP A 63 10.731 -34.509 6.050 1.00 40.11 O ATOM 1016 OD2 ASP A 63 11.088 -34.849 3.908 1.00 60.22 O1- ATOM 0 H ASP A 63 13.575 -31.461 4.390 1.00 23.54 H new ATOM 0 HA ASP A 63 11.688 -32.332 6.383 1.00 42.41 H new ATOM 0 HB2 ASP A 63 13.114 -33.416 4.138 1.00 73.01 H new ATOM 0 HB3 ASP A 63 13.511 -34.394 5.537 1.00 73.01 H new ATOM 1021 N VAL A 64 13.069 -32.483 8.419 1.00 22.25 N ATOM 1022 CA VAL A 64 13.841 -32.620 9.647 1.00 63.30 C ATOM 1023 C VAL A 64 14.236 -34.073 9.891 1.00 51.12 C ATOM 1024 O VAL A 64 13.379 -34.934 10.094 1.00 75.14 O ATOM 1025 CB VAL A 64 13.054 -32.103 10.866 1.00 43.02 C ATOM 1026 CG1 VAL A 64 13.875 -32.257 12.138 1.00 52.52 C ATOM 1027 CG2 VAL A 64 12.644 -30.653 10.658 1.00 14.04 C ATOM 0 H VAL A 64 12.081 -32.272 8.563 1.00 22.25 H new ATOM 0 HA VAL A 64 14.741 -32.018 9.522 1.00 63.30 H new ATOM 0 HB VAL A 64 12.149 -32.701 10.973 1.00 43.02 H new ATOM 0 HG11 VAL A 64 13.302 -31.886 12.988 1.00 52.52 H new ATOM 0 HG12 VAL A 64 14.113 -33.309 12.292 1.00 52.52 H new ATOM 0 HG13 VAL A 64 14.799 -31.686 12.046 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.089 -30.303 11.528 1.00 14.04 H new ATOM 0 HG22 VAL A 64 13.534 -30.039 10.525 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.014 -30.576 9.772 1.00 14.04 H new ATOM 1037 N VAL A 65 15.538 -34.338 9.868 1.00 11.54 N ATOM 1038 CA VAL A 65 16.047 -35.687 10.088 1.00 13.21 C ATOM 1039 C VAL A 65 17.366 -35.659 10.851 1.00 31.21 C ATOM 1040 O VAL A 65 18.074 -34.652 10.852 1.00 25.11 O ATOM 1041 CB VAL A 65 16.253 -36.433 8.757 1.00 54.34 C ATOM 1042 CG1 VAL A 65 14.940 -36.541 7.996 1.00 54.12 C ATOM 1043 CG2 VAL A 65 17.310 -35.736 7.914 1.00 31.51 C ATOM 0 H VAL A 65 16.260 -33.637 9.699 1.00 11.54 H new ATOM 0 HA VAL A 65 15.299 -36.215 10.680 1.00 13.21 H new ATOM 0 HB VAL A 65 16.602 -37.442 8.977 1.00 54.34 H new ATOM 0 HG11 VAL A 65 15.106 -37.071 7.058 1.00 54.12 H new ATOM 0 HG12 VAL A 65 14.214 -37.087 8.598 1.00 54.12 H new ATOM 0 HG13 VAL A 65 14.558 -35.542 7.785 1.00 54.12 H new ATOM 0 HG21 VAL A 65 17.443 -36.277 6.977 1.00 31.51 H new ATOM 0 HG22 VAL A 65 16.992 -34.715 7.702 1.00 31.51 H new ATOM 0 HG23 VAL A 65 18.254 -35.716 8.458 1.00 31.51 H new ATOM 1053 N ASP A 66 17.692 -36.772 11.501 1.00 62.52 N ATOM 1054 CA ASP A 66 18.927 -36.876 12.268 1.00 23.33 C ATOM 1055 C ASP A 66 20.144 -36.726 11.360 1.00 21.04 C ATOM 1056 O ASP A 66 21.143 -36.118 11.742 1.00 0.24 O ATOM 1057 CB ASP A 66 18.985 -38.217 13.002 1.00 11.32 C ATOM 1058 CG ASP A 66 19.976 -38.206 14.149 1.00 10.50 C ATOM 1059 OD1 ASP A 66 20.025 -37.196 14.882 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 20.704 -39.208 14.315 1.00 32.13 O ATOM 0 H ASP A 66 17.117 -37.615 11.511 1.00 62.52 H new ATOM 0 HA ASP A 66 18.940 -36.069 13.000 1.00 23.33 H new ATOM 0 HB2 ASP A 66 17.994 -38.462 13.384 1.00 11.32 H new ATOM 0 HB3 ASP A 66 19.258 -39.002 12.297 1.00 11.32 H new ATOM 1065 N GLU A 67 20.052 -37.285 10.158 1.00 15.03 N ATOM 1066 CA GLU A 67 21.147 -37.214 9.198 1.00 31.11 C ATOM 1067 C GLU A 67 20.625 -36.898 7.799 1.00 50.23 C ATOM 1068 O GLU A 67 19.601 -37.430 7.372 1.00 63.43 O ATOM 1069 CB GLU A 67 21.923 -38.532 9.177 1.00 55.42 C ATOM 1070 CG GLU A 67 22.799 -38.742 10.402 1.00 72.25 C ATOM 1071 CD GLU A 67 24.097 -37.962 10.332 1.00 31.21 C ATOM 1072 OE1 GLU A 67 24.734 -37.964 9.258 1.00 71.05 O ATOM 1073 OE2 GLU A 67 24.474 -37.348 11.352 1.00 25.33 O1- ATOM 0 H GLU A 67 19.231 -37.792 9.826 1.00 15.03 H new ATOM 0 HA GLU A 67 21.816 -36.411 9.508 1.00 31.11 H new ATOM 0 HB2 GLU A 67 21.217 -39.359 9.100 1.00 55.42 H new ATOM 0 HB3 GLU A 67 22.548 -38.562 8.284 1.00 55.42 H new ATOM 0 HG2 GLU A 67 22.248 -38.443 11.294 1.00 72.25 H new ATOM 0 HG3 GLU A 67 23.023 -39.804 10.506 1.00 72.25 H new ATOM 1080 N VAL A 68 21.336 -36.026 7.091 1.00 15.43 N ATOM 1081 CA VAL A 68 20.946 -35.638 5.742 1.00 65.11 C ATOM 1082 C VAL A 68 20.751 -36.860 4.852 1.00 4.00 C ATOM 1083 O VAL A 68 21.700 -37.590 4.566 1.00 42.11 O ATOM 1084 CB VAL A 68 21.995 -34.711 5.098 1.00 61.52 C ATOM 1085 CG1 VAL A 68 21.597 -34.364 3.672 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.175 -33.451 5.932 1.00 63.52 C ATOM 0 H VAL A 68 22.186 -35.575 7.430 1.00 15.43 H new ATOM 0 HA VAL A 68 20.001 -35.101 5.829 1.00 65.11 H new ATOM 0 HB VAL A 68 22.949 -35.237 5.065 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.350 -33.709 3.233 1.00 71.34 H new ATOM 0 HG12 VAL A 68 21.523 -35.278 3.082 1.00 71.34 H new ATOM 0 HG13 VAL A 68 20.632 -33.856 3.677 1.00 71.34 H new ATOM 0 HG21 VAL A 68 22.919 -32.807 5.463 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.226 -32.920 5.998 1.00 63.52 H new ATOM 0 HG23 VAL A 68 22.509 -33.722 6.933 1.00 63.52 H new ATOM 1096 N TYR A 69 19.514 -37.078 4.418 1.00 32.10 N ATOM 1097 CA TYR A 69 19.194 -38.215 3.563 1.00 32.14 C ATOM 1098 C TYR A 69 18.715 -37.746 2.192 1.00 61.22 C ATOM 1099 O TYR A 69 18.790 -38.486 1.210 1.00 10.20 O ATOM 1100 CB TYR A 69 18.123 -39.088 4.220 1.00 62.24 C ATOM 1101 CG TYR A 69 18.688 -40.169 5.112 1.00 44.51 C ATOM 1102 CD1 TYR A 69 19.311 -41.288 4.574 1.00 73.44 C ATOM 1103 CD2 TYR A 69 18.599 -40.072 6.496 1.00 23.33 C ATOM 1104 CE1 TYR A 69 19.827 -42.279 5.386 1.00 1.01 C ATOM 1105 CE2 TYR A 69 19.113 -41.057 7.316 1.00 60.10 C ATOM 1106 CZ TYR A 69 19.726 -42.159 6.757 1.00 34.24 C ATOM 1107 OH TYR A 69 20.240 -43.143 7.570 1.00 60.13 O ATOM 0 H TYR A 69 18.717 -36.483 4.644 1.00 32.10 H new ATOM 0 HA TYR A 69 20.101 -38.805 3.429 1.00 32.14 H new ATOM 0 HB2 TYR A 69 17.459 -38.454 4.808 1.00 62.24 H new ATOM 0 HB3 TYR A 69 17.516 -39.551 3.442 1.00 62.24 H new ATOM 0 HD1 TYR A 69 19.393 -41.385 3.502 1.00 73.44 H new ATOM 0 HD2 TYR A 69 18.119 -39.211 6.938 1.00 23.33 H new ATOM 0 HE1 TYR A 69 20.307 -43.143 4.950 1.00 1.01 H new ATOM 0 HE2 TYR A 69 19.035 -40.965 8.389 1.00 60.10 H new ATOM 0 HH TYR A 69 20.087 -42.905 8.508 1.00 60.13 H new ATOM 1117 N ASP A 70 18.222 -36.514 2.134 1.00 20.02 N ATOM 1118 CA ASP A 70 17.731 -35.944 0.885 1.00 33.31 C ATOM 1119 C ASP A 70 18.634 -34.808 0.414 1.00 24.14 C ATOM 1120 O ASP A 70 18.487 -33.666 0.850 1.00 24.10 O ATOM 1121 CB ASP A 70 16.299 -35.437 1.059 1.00 13.03 C ATOM 1122 CG ASP A 70 15.283 -36.562 1.069 1.00 63.42 C ATOM 1123 OD1 ASP A 70 15.693 -37.733 0.917 1.00 60.34 O ATOM 1124 OD2 ASP A 70 14.078 -36.273 1.226 1.00 62.25 O1- ATOM 0 H ASP A 70 18.152 -35.890 2.938 1.00 20.02 H new ATOM 0 HA ASP A 70 17.740 -36.728 0.128 1.00 33.31 H new ATOM 0 HB2 ASP A 70 16.226 -34.877 1.991 1.00 13.03 H new ATOM 0 HB3 ASP A 70 16.061 -34.744 0.252 1.00 13.03 H new ATOM 1129 N GLN A 71 19.566 -35.130 -0.476 1.00 45.13 N ATOM 1130 CA GLN A 71 20.493 -34.136 -1.004 1.00 73.34 C ATOM 1131 C GLN A 71 19.740 -32.969 -1.633 1.00 44.25 C ATOM 1132 O GLN A 71 20.260 -31.856 -1.721 1.00 55.10 O ATOM 1133 CB GLN A 71 21.425 -34.773 -2.036 1.00 71.25 C ATOM 1134 CG GLN A 71 22.137 -36.016 -1.527 1.00 52.44 C ATOM 1135 CD GLN A 71 22.910 -35.762 -0.247 1.00 44.52 C ATOM 1136 OE1 GLN A 71 23.296 -34.630 0.045 1.00 34.54 O ATOM 1137 NE2 GLN A 71 23.140 -36.819 0.524 1.00 51.40 N ATOM 0 H GLN A 71 19.700 -36.071 -0.847 1.00 45.13 H new ATOM 0 HA GLN A 71 21.088 -33.755 -0.174 1.00 73.34 H new ATOM 0 HB2 GLN A 71 20.848 -35.033 -2.923 1.00 71.25 H new ATOM 0 HB3 GLN A 71 22.169 -34.038 -2.344 1.00 71.25 H new ATOM 0 HG2 GLN A 71 21.405 -36.805 -1.354 1.00 52.44 H new ATOM 0 HG3 GLN A 71 22.821 -36.378 -2.294 1.00 52.44 H new ATOM 0 HE21 GLN A 71 22.801 -37.739 0.242 1.00 51.40 H new ATOM 0 HE22 GLN A 71 23.655 -36.711 1.398 1.00 51.40 H new ATOM 1146 N ARG A 72 18.512 -33.231 -2.070 1.00 4.45 N ATOM 1147 CA ARG A 72 17.688 -32.202 -2.693 1.00 31.14 C ATOM 1148 C ARG A 72 17.220 -31.181 -1.660 1.00 3.13 C ATOM 1149 O ARG A 72 17.231 -29.976 -1.914 1.00 25.45 O ATOM 1150 CB ARG A 72 16.479 -32.836 -3.383 1.00 14.31 C ATOM 1151 CG ARG A 72 15.611 -33.665 -2.450 1.00 43.23 C ATOM 1152 CD ARG A 72 14.505 -34.382 -3.209 1.00 44.31 C ATOM 1153 NE ARG A 72 15.005 -35.551 -3.928 1.00 31.03 N ATOM 1154 CZ ARG A 72 14.365 -36.116 -4.946 1.00 1.35 C ATOM 1155 NH1 ARG A 72 13.207 -35.622 -5.362 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 14.883 -37.178 -5.549 1.00 72.31 N ATOM 0 H ARG A 72 18.066 -34.146 -2.004 1.00 4.45 H new ATOM 0 HA ARG A 72 18.295 -31.687 -3.438 1.00 31.14 H new ATOM 0 HB2 ARG A 72 15.871 -32.048 -3.828 1.00 14.31 H new ATOM 0 HB3 ARG A 72 16.828 -33.469 -4.199 1.00 14.31 H new ATOM 0 HG2 ARG A 72 16.230 -34.396 -1.929 1.00 43.23 H new ATOM 0 HG3 ARG A 72 15.172 -33.019 -1.689 1.00 43.23 H new ATOM 0 HD2 ARG A 72 13.727 -34.691 -2.511 1.00 44.31 H new ATOM 0 HD3 ARG A 72 14.043 -33.692 -3.915 1.00 44.31 H new ATOM 0 HE ARG A 72 15.894 -35.955 -3.633 1.00 31.03 H new ATOM 0 HH11 ARG A 72 12.805 -34.806 -4.900 1.00 20.14 H new ATOM 0 HH12 ARG A 72 12.718 -36.058 -6.144 1.00 20.14 H new ATOM 0 HH21 ARG A 72 15.773 -37.561 -5.231 1.00 72.31 H new ATOM 0 HH22 ARG A 72 14.391 -37.611 -6.330 1.00 72.31 H new ATOM 1170 N LEU A 73 16.810 -31.670 -0.496 1.00 3.20 N ATOM 1171 CA LEU A 73 16.337 -30.802 0.576 1.00 51.45 C ATOM 1172 C LEU A 73 16.226 -31.568 1.890 1.00 42.22 C ATOM 1173 O LEU A 73 15.497 -32.555 1.984 1.00 32.31 O ATOM 1174 CB LEU A 73 14.980 -30.197 0.208 1.00 24.54 C ATOM 1175 CG LEU A 73 13.816 -31.183 0.090 1.00 44.12 C ATOM 1176 CD1 LEU A 73 12.933 -31.116 1.326 1.00 70.54 C ATOM 1177 CD2 LEU A 73 13.004 -30.900 -1.164 1.00 14.14 C ATOM 0 H LEU A 73 16.795 -32.665 -0.270 1.00 3.20 H new ATOM 0 HA LEU A 73 17.063 -29.999 0.706 1.00 51.45 H new ATOM 0 HB2 LEU A 73 14.722 -29.449 0.958 1.00 24.54 H new ATOM 0 HB3 LEU A 73 15.084 -29.673 -0.742 1.00 24.54 H new ATOM 0 HG LEU A 73 14.224 -32.191 0.015 1.00 44.12 H new ATOM 0 HD11 LEU A 73 12.110 -31.824 1.224 1.00 70.54 H new ATOM 0 HD12 LEU A 73 13.522 -31.368 2.208 1.00 70.54 H new ATOM 0 HD13 LEU A 73 12.533 -30.108 1.433 1.00 70.54 H new ATOM 0 HD21 LEU A 73 12.180 -31.611 -1.232 1.00 14.14 H new ATOM 0 HD22 LEU A 73 12.606 -29.886 -1.119 1.00 14.14 H new ATOM 0 HD23 LEU A 73 13.643 -31.000 -2.041 1.00 14.14 H new ATOM 1189 N GLU A 74 16.953 -31.104 2.903 1.00 52.14 N ATOM 1190 CA GLU A 74 16.935 -31.747 4.211 1.00 53.33 C ATOM 1191 C GLU A 74 17.503 -30.818 5.281 1.00 31.14 C ATOM 1192 O GLU A 74 18.260 -29.895 4.978 1.00 54.40 O ATOM 1193 CB GLU A 74 17.733 -33.051 4.176 1.00 34.50 C ATOM 1194 CG GLU A 74 17.239 -34.095 5.162 1.00 5.55 C ATOM 1195 CD GLU A 74 16.347 -35.136 4.512 1.00 50.11 C ATOM 1196 OE1 GLU A 74 15.241 -34.772 4.063 1.00 53.23 O ATOM 1197 OE2 GLU A 74 16.758 -36.314 4.452 1.00 54.12 O1- ATOM 0 H GLU A 74 17.560 -30.287 2.842 1.00 52.14 H new ATOM 0 HA GLU A 74 15.898 -31.972 4.462 1.00 53.33 H new ATOM 0 HB2 GLU A 74 17.690 -33.466 3.169 1.00 34.50 H new ATOM 0 HB3 GLU A 74 18.780 -32.832 4.386 1.00 34.50 H new ATOM 0 HG2 GLU A 74 18.095 -34.590 5.620 1.00 5.55 H new ATOM 0 HG3 GLU A 74 16.690 -33.601 5.964 1.00 5.55 H new ATOM 1204 N ILE A 75 17.132 -31.069 6.532 1.00 62.14 N ATOM 1205 CA ILE A 75 17.605 -30.256 7.646 1.00 30.31 C ATOM 1206 C ILE A 75 17.887 -31.117 8.873 1.00 75.04 C ATOM 1207 O ILE A 75 17.032 -31.882 9.317 1.00 14.04 O ATOM 1208 CB ILE A 75 16.583 -29.167 8.021 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.078 -28.367 9.228 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.227 -29.791 8.314 1.00 62.41 C ATOM 1211 CD1 ILE A 75 17.015 -26.868 9.026 1.00 31.35 C ATOM 0 H ILE A 75 16.506 -31.828 6.800 1.00 62.14 H new ATOM 0 HA ILE A 75 18.529 -29.779 7.319 1.00 30.31 H new ATOM 0 HB ILE A 75 16.473 -28.486 7.177 1.00 50.21 H new ATOM 0 HG12 ILE A 75 16.481 -28.634 10.100 1.00 4.55 H new ATOM 0 HG13 ILE A 75 18.107 -28.653 9.446 1.00 4.55 H new ATOM 0 HG21 ILE A 75 14.516 -29.008 8.577 1.00 62.41 H new ATOM 0 HG22 ILE A 75 14.872 -30.322 7.430 1.00 62.41 H new ATOM 0 HG23 ILE A 75 15.320 -30.491 9.144 1.00 62.41 H new ATOM 0 HD11 ILE A 75 17.381 -26.365 9.921 1.00 31.35 H new ATOM 0 HD12 ILE A 75 17.635 -26.589 8.174 1.00 31.35 H new ATOM 0 HD13 ILE A 75 15.984 -26.569 8.838 1.00 31.35 H new ATOM 1223 N SER A 76 19.094 -30.985 9.416 1.00 72.03 N ATOM 1224 CA SER A 76 19.490 -31.752 10.591 1.00 2.32 C ATOM 1225 C SER A 76 18.630 -31.383 11.797 1.00 11.44 C ATOM 1226 O SER A 76 18.336 -30.209 12.027 1.00 13.53 O ATOM 1227 CB SER A 76 20.967 -31.509 10.910 1.00 63.42 C ATOM 1228 OG SER A 76 21.559 -32.660 11.488 1.00 63.00 O ATOM 0 H SER A 76 19.813 -30.355 9.061 1.00 72.03 H new ATOM 0 HA SER A 76 19.342 -32.809 10.371 1.00 2.32 H new ATOM 0 HB2 SER A 76 21.500 -31.241 9.998 1.00 63.42 H new ATOM 0 HB3 SER A 76 21.061 -30.665 11.594 1.00 63.42 H new ATOM 0 HG SER A 76 22.503 -32.480 11.681 1.00 63.00 H new ATOM 1234 N ILE A 77 18.232 -32.392 12.563 1.00 32.21 N ATOM 1235 CA ILE A 77 17.408 -32.175 13.745 1.00 42.24 C ATOM 1236 C ILE A 77 18.014 -31.106 14.648 1.00 3.30 C ATOM 1237 O ILE A 77 17.294 -30.313 15.255 1.00 62.34 O ATOM 1238 CB ILE A 77 17.230 -33.474 14.554 1.00 2.05 C ATOM 1239 CG1 ILE A 77 16.338 -33.223 15.771 1.00 61.14 C ATOM 1240 CG2 ILE A 77 18.584 -34.019 14.985 1.00 44.33 C ATOM 1241 CD1 ILE A 77 14.925 -32.821 15.413 1.00 2.10 C ATOM 0 H ILE A 77 18.467 -33.369 12.386 1.00 32.21 H new ATOM 0 HA ILE A 77 16.432 -31.840 13.393 1.00 42.24 H new ATOM 0 HB ILE A 77 16.747 -34.217 13.920 1.00 2.05 H new ATOM 0 HG12 ILE A 77 16.307 -34.126 16.380 1.00 61.14 H new ATOM 0 HG13 ILE A 77 16.785 -32.440 16.384 1.00 61.14 H new ATOM 0 HG21 ILE A 77 18.442 -34.937 15.556 1.00 44.33 H new ATOM 0 HG22 ILE A 77 19.189 -34.230 14.103 1.00 44.33 H new ATOM 0 HG23 ILE A 77 19.092 -33.281 15.606 1.00 44.33 H new ATOM 0 HD11 ILE A 77 14.350 -32.660 16.325 1.00 2.10 H new ATOM 0 HD12 ILE A 77 14.945 -31.901 14.829 1.00 2.10 H new ATOM 0 HD13 ILE A 77 14.459 -33.613 14.826 1.00 2.10 H new ATOM 1253 N GLU A 78 19.341 -31.089 14.729 1.00 30.11 N ATOM 1254 CA GLU A 78 20.043 -30.116 15.558 1.00 0.34 C ATOM 1255 C GLU A 78 19.983 -28.725 14.931 1.00 42.21 C ATOM 1256 O GLU A 78 19.937 -27.718 15.637 1.00 45.21 O ATOM 1257 CB GLU A 78 21.500 -30.537 15.753 1.00 12.10 C ATOM 1258 CG GLU A 78 22.302 -30.573 14.463 1.00 52.02 C ATOM 1259 CD GLU A 78 23.712 -31.093 14.667 1.00 3.31 C ATOM 1260 OE1 GLU A 78 23.899 -31.984 15.522 1.00 41.43 O1- ATOM 1261 OE2 GLU A 78 24.629 -30.609 13.971 1.00 44.14 O ATOM 0 H GLU A 78 19.951 -31.737 14.231 1.00 30.11 H new ATOM 0 HA GLU A 78 19.550 -30.080 16.529 1.00 0.34 H new ATOM 0 HB2 GLU A 78 21.978 -29.848 16.449 1.00 12.10 H new ATOM 0 HB3 GLU A 78 21.525 -31.524 16.214 1.00 12.10 H new ATOM 0 HG2 GLU A 78 21.788 -31.203 13.737 1.00 52.02 H new ATOM 0 HG3 GLU A 78 22.346 -29.570 14.039 1.00 52.02 H new ATOM 1268 N GLU A 79 19.985 -28.680 13.603 1.00 34.12 N ATOM 1269 CA GLU A 79 19.933 -27.414 12.883 1.00 41.22 C ATOM 1270 C GLU A 79 18.622 -26.683 13.159 1.00 73.11 C ATOM 1271 O GLU A 79 18.618 -25.507 13.517 1.00 3.25 O ATOM 1272 CB GLU A 79 20.090 -27.649 11.379 1.00 40.51 C ATOM 1273 CG GLU A 79 20.202 -26.369 10.570 1.00 71.40 C ATOM 1274 CD GLU A 79 20.486 -26.628 9.103 1.00 23.32 C ATOM 1275 OE1 GLU A 79 20.135 -27.722 8.614 1.00 25.22 O ATOM 1276 OE2 GLU A 79 21.060 -25.735 8.444 1.00 73.13 O1- ATOM 0 H GLU A 79 20.022 -29.505 13.004 1.00 34.12 H new ATOM 0 HA GLU A 79 20.757 -26.793 13.235 1.00 41.22 H new ATOM 0 HB2 GLU A 79 20.978 -28.257 11.206 1.00 40.51 H new ATOM 0 HB3 GLU A 79 19.236 -28.223 11.019 1.00 40.51 H new ATOM 0 HG2 GLU A 79 19.275 -25.803 10.662 1.00 71.40 H new ATOM 0 HG3 GLU A 79 20.996 -25.749 10.986 1.00 71.40 H new ATOM 1283 N ALA A 80 17.509 -27.392 12.989 1.00 23.40 N ATOM 1284 CA ALA A 80 16.192 -26.813 13.221 1.00 41.12 C ATOM 1285 C ALA A 80 16.064 -26.295 14.649 1.00 13.05 C ATOM 1286 O ALA A 80 15.330 -25.343 14.909 1.00 13.31 O ATOM 1287 CB ALA A 80 15.107 -27.839 12.930 1.00 63.34 C ATOM 0 H ALA A 80 17.495 -28.368 12.692 1.00 23.40 H new ATOM 0 HA ALA A 80 16.069 -25.968 12.544 1.00 41.12 H new ATOM 0 HB1 ALA A 80 14.128 -27.394 13.107 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.178 -28.158 11.890 1.00 63.34 H new ATOM 0 HB3 ALA A 80 15.237 -28.701 13.584 1.00 63.34 H new ATOM 1293 N GLN A 81 16.782 -26.930 15.571 1.00 53.33 N ATOM 1294 CA GLN A 81 16.747 -26.532 16.973 1.00 55.10 C ATOM 1295 C GLN A 81 17.353 -25.145 17.161 1.00 65.05 C ATOM 1296 O GLN A 81 17.007 -24.428 18.099 1.00 13.14 O ATOM 1297 CB GLN A 81 17.497 -27.551 17.833 1.00 55.14 C ATOM 1298 CG GLN A 81 16.904 -28.949 17.776 1.00 15.04 C ATOM 1299 CD GLN A 81 16.148 -29.314 19.039 1.00 74.24 C ATOM 1300 OE1 GLN A 81 16.461 -28.827 20.126 1.00 60.45 O ATOM 1301 NE2 GLN A 81 15.145 -30.173 18.901 1.00 12.11 N ATOM 0 H GLN A 81 17.394 -27.721 15.372 1.00 53.33 H new ATOM 0 HA GLN A 81 15.704 -26.498 17.289 1.00 55.10 H new ATOM 0 HB2 GLN A 81 18.537 -27.593 17.508 1.00 55.14 H new ATOM 0 HB3 GLN A 81 17.500 -27.209 18.868 1.00 55.14 H new ATOM 0 HG2 GLN A 81 16.231 -29.020 16.921 1.00 15.04 H new ATOM 0 HG3 GLN A 81 17.703 -29.672 17.614 1.00 15.04 H new ATOM 0 HE21 GLN A 81 14.921 -30.552 17.981 1.00 12.11 H new ATOM 0 HE22 GLN A 81 14.599 -30.454 19.715 1.00 12.11 H new ATOM 1310 N GLY A 82 18.260 -24.775 16.263 1.00 10.33 N ATOM 1311 CA GLY A 82 18.901 -23.474 16.349 1.00 0.41 C ATOM 1312 C GLY A 82 17.902 -22.335 16.349 1.00 3.45 C ATOM 1313 O GLY A 82 18.127 -21.303 16.983 1.00 20.11 O ATOM 0 H GLY A 82 18.563 -25.351 15.478 1.00 10.33 H new ATOM 0 HA2 GLY A 82 19.501 -23.427 17.258 1.00 0.41 H new ATOM 0 HA3 GLY A 82 19.585 -23.353 15.509 1.00 0.41 H new ATOM 1317 N ILE A 83 16.795 -22.520 15.638 1.00 31.40 N ATOM 1318 CA ILE A 83 15.758 -21.499 15.559 1.00 1.12 C ATOM 1319 C ILE A 83 14.495 -21.940 16.289 1.00 73.35 C ATOM 1320 O ILE A 83 13.694 -21.111 16.724 1.00 13.12 O ATOM 1321 CB ILE A 83 15.404 -21.168 14.097 1.00 1.41 C ATOM 1322 CG1 ILE A 83 14.785 -22.388 13.411 1.00 4.34 C ATOM 1323 CG2 ILE A 83 16.642 -20.701 13.344 1.00 22.22 C ATOM 1324 CD1 ILE A 83 14.333 -22.119 11.992 1.00 2.43 C ATOM 0 H ILE A 83 16.593 -23.368 15.108 1.00 31.40 H new ATOM 0 HA ILE A 83 16.158 -20.606 16.039 1.00 1.12 H new ATOM 0 HB ILE A 83 14.672 -20.360 14.090 1.00 1.41 H new ATOM 0 HG12 ILE A 83 15.513 -23.199 13.404 1.00 4.34 H new ATOM 0 HG13 ILE A 83 13.932 -22.730 13.997 1.00 4.34 H new ATOM 0 HG21 ILE A 83 16.375 -20.471 12.312 1.00 22.22 H new ATOM 0 HG22 ILE A 83 17.044 -19.808 13.823 1.00 22.22 H new ATOM 0 HG23 ILE A 83 17.395 -21.489 13.357 1.00 22.22 H new ATOM 0 HD11 ILE A 83 13.905 -23.027 11.568 1.00 2.43 H new ATOM 0 HD12 ILE A 83 13.581 -21.330 11.993 1.00 2.43 H new ATOM 0 HD13 ILE A 83 15.187 -21.806 11.391 1.00 2.43 H new ATOM 1336 N HIS A 84 14.323 -23.252 16.423 1.00 63.03 N ATOM 1337 CA HIS A 84 13.157 -23.804 17.103 1.00 54.51 C ATOM 1338 C HIS A 84 13.437 -25.220 17.599 1.00 12.33 C ATOM 1339 O HIS A 84 13.325 -26.196 16.856 1.00 53.42 O ATOM 1340 CB HIS A 84 11.948 -23.808 16.168 1.00 32.52 C ATOM 1341 CG HIS A 84 10.680 -23.359 16.826 1.00 13.05 C ATOM 1342 ND1 HIS A 84 10.335 -23.712 18.114 1.00 42.33 N ATOM 1343 CD2 HIS A 84 9.671 -22.582 16.368 1.00 40.41 C ATOM 1344 CE1 HIS A 84 9.168 -23.172 18.418 1.00 4.32 C ATOM 1345 NE2 HIS A 84 8.744 -22.480 17.375 1.00 13.00 N ATOM 0 H HIS A 84 14.976 -23.952 16.070 1.00 63.03 H new ATOM 0 HA HIS A 84 12.937 -23.173 17.964 1.00 54.51 H new ATOM 0 HB2 HIS A 84 12.155 -23.159 15.317 1.00 32.52 H new ATOM 0 HB3 HIS A 84 11.807 -24.815 15.775 1.00 32.52 H new ATOM 0 HD2 HIS A 84 9.607 -22.126 15.391 1.00 40.41 H new ATOM 0 HE1 HIS A 84 8.649 -23.278 19.359 1.00 4.32 H new ATOM 0 HE2 HIS A 84 7.870 -21.956 17.326 1.00 13.00 H new ATOM 1353 N PRO A 85 13.811 -25.336 18.881 1.00 51.33 N ATOM 1354 CA PRO A 85 14.115 -26.628 19.503 1.00 21.45 C ATOM 1355 C PRO A 85 12.870 -27.490 19.685 1.00 1.12 C ATOM 1356 O PRO A 85 12.964 -28.658 20.063 1.00 55.23 O ATOM 1357 CB PRO A 85 14.699 -26.239 20.863 1.00 54.51 C ATOM 1358 CG PRO A 85 14.119 -24.897 21.154 1.00 23.33 C ATOM 1359 CD PRO A 85 13.965 -24.215 19.824 1.00 35.21 C ATOM 0 HA PRO A 85 14.789 -27.227 18.890 1.00 21.45 H new ATOM 0 HB2 PRO A 85 14.428 -26.963 21.632 1.00 54.51 H new ATOM 0 HB3 PRO A 85 15.788 -26.201 20.830 1.00 54.51 H new ATOM 0 HG2 PRO A 85 13.157 -24.989 21.659 1.00 23.33 H new ATOM 0 HG3 PRO A 85 14.772 -24.324 21.813 1.00 23.33 H new ATOM 0 HD2 PRO A 85 13.097 -23.555 19.809 1.00 35.21 H new ATOM 0 HD3 PRO A 85 14.835 -23.604 19.583 1.00 35.21 H new ATOM 1367 N GLU A 86 11.707 -26.909 19.413 1.00 11.24 N ATOM 1368 CA GLU A 86 10.444 -27.626 19.548 1.00 2.30 C ATOM 1369 C GLU A 86 10.274 -28.642 18.423 1.00 54.33 C ATOM 1370 O GLU A 86 9.489 -29.584 18.537 1.00 72.01 O ATOM 1371 CB GLU A 86 9.272 -26.644 19.544 1.00 32.11 C ATOM 1372 CG GLU A 86 9.178 -25.802 20.806 1.00 10.02 C ATOM 1373 CD GLU A 86 7.835 -25.113 20.951 1.00 32.22 C ATOM 1374 OE1 GLU A 86 7.061 -25.110 19.971 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 7.558 -24.578 22.045 1.00 32.50 O ATOM 0 H GLU A 86 11.612 -25.944 19.098 1.00 11.24 H new ATOM 0 HA GLU A 86 10.458 -28.160 20.498 1.00 2.30 H new ATOM 0 HB2 GLU A 86 9.366 -25.983 18.683 1.00 32.11 H new ATOM 0 HB3 GLU A 86 8.343 -27.201 19.419 1.00 32.11 H new ATOM 0 HG2 GLU A 86 9.352 -26.437 21.675 1.00 10.02 H new ATOM 0 HG3 GLU A 86 9.968 -25.051 20.796 1.00 10.02 H new ATOM 1382 N TYR A 87 11.013 -28.445 17.338 1.00 13.33 N ATOM 1383 CA TYR A 87 10.942 -29.342 16.190 1.00 62.40 C ATOM 1384 C TYR A 87 11.229 -30.781 16.606 1.00 30.01 C ATOM 1385 O TYR A 87 11.529 -31.055 17.768 1.00 64.21 O ATOM 1386 CB TYR A 87 11.933 -28.903 15.111 1.00 41.24 C ATOM 1387 CG TYR A 87 11.464 -27.711 14.307 1.00 51.15 C ATOM 1388 CD1 TYR A 87 10.169 -27.651 13.808 1.00 4.14 C ATOM 1389 CD2 TYR A 87 12.316 -26.646 14.044 1.00 24.43 C ATOM 1390 CE1 TYR A 87 9.735 -26.565 13.073 1.00 10.23 C ATOM 1391 CE2 TYR A 87 11.892 -25.555 13.311 1.00 41.22 C ATOM 1392 CZ TYR A 87 10.601 -25.520 12.827 1.00 73.33 C ATOM 1393 OH TYR A 87 10.175 -24.436 12.095 1.00 33.41 O ATOM 0 H TYR A 87 11.669 -27.672 17.229 1.00 13.33 H new ATOM 0 HA TYR A 87 9.931 -29.295 15.785 1.00 62.40 H new ATOM 0 HB2 TYR A 87 12.886 -28.661 15.582 1.00 41.24 H new ATOM 0 HB3 TYR A 87 12.114 -29.738 14.435 1.00 41.24 H new ATOM 0 HD1 TYR A 87 9.489 -28.468 13.998 1.00 4.14 H new ATOM 0 HD2 TYR A 87 13.328 -26.672 14.419 1.00 24.43 H new ATOM 0 HE1 TYR A 87 8.724 -26.534 12.693 1.00 10.23 H new ATOM 0 HE2 TYR A 87 12.567 -24.734 13.118 1.00 41.22 H new ATOM 0 HH TYR A 87 10.760 -23.670 12.274 1.00 33.41 H new ATOM 1403 N MET A 88 11.136 -31.697 15.647 1.00 30.33 N ATOM 1404 CA MET A 88 11.388 -33.109 15.911 1.00 15.53 C ATOM 1405 C MET A 88 11.588 -33.878 14.611 1.00 10.42 C ATOM 1406 O MET A 88 11.010 -33.535 13.579 1.00 24.25 O ATOM 1407 CB MET A 88 10.229 -33.715 16.704 1.00 14.22 C ATOM 1408 CG MET A 88 10.530 -35.100 17.257 1.00 4.24 C ATOM 1409 SD MET A 88 9.701 -35.415 18.827 1.00 21.05 S ATOM 1410 CE MET A 88 10.684 -34.408 19.937 1.00 34.51 C ATOM 0 H MET A 88 10.888 -31.487 14.680 1.00 30.33 H new ATOM 0 HA MET A 88 12.302 -33.186 16.501 1.00 15.53 H new ATOM 0 HB2 MET A 88 9.977 -33.050 17.530 1.00 14.22 H new ATOM 0 HB3 MET A 88 9.350 -33.772 16.062 1.00 14.22 H new ATOM 0 HG2 MET A 88 10.222 -35.852 16.531 1.00 4.24 H new ATOM 0 HG3 MET A 88 11.606 -35.208 17.391 1.00 4.24 H new ATOM 0 HE1 MET A 88 10.476 -34.694 20.968 1.00 34.51 H new ATOM 0 HE2 MET A 88 11.742 -34.560 19.725 1.00 34.51 H new ATOM 0 HE3 MET A 88 10.432 -33.357 19.794 1.00 34.51 H new ATOM 1420 N VAL A 89 12.411 -34.922 14.665 1.00 2.14 N ATOM 1421 CA VAL A 89 12.685 -35.740 13.491 1.00 32.25 C ATOM 1422 C VAL A 89 11.393 -36.196 12.823 1.00 31.51 C ATOM 1423 O VAL A 89 10.562 -36.860 13.441 1.00 22.02 O ATOM 1424 CB VAL A 89 13.526 -36.980 13.854 1.00 43.25 C ATOM 1425 CG1 VAL A 89 13.900 -37.756 12.603 1.00 5.33 C ATOM 1426 CG2 VAL A 89 14.769 -36.571 14.631 1.00 64.13 C ATOM 0 H VAL A 89 12.899 -35.220 15.510 1.00 2.14 H new ATOM 0 HA VAL A 89 13.249 -35.116 12.797 1.00 32.25 H new ATOM 0 HB VAL A 89 12.926 -37.631 14.490 1.00 43.25 H new ATOM 0 HG11 VAL A 89 14.493 -38.628 12.879 1.00 5.33 H new ATOM 0 HG12 VAL A 89 12.994 -38.081 12.092 1.00 5.33 H new ATOM 0 HG13 VAL A 89 14.482 -37.117 11.939 1.00 5.33 H new ATOM 0 HG21 VAL A 89 15.351 -37.458 14.879 1.00 64.13 H new ATOM 0 HG22 VAL A 89 15.374 -35.899 14.022 1.00 64.13 H new ATOM 0 HG23 VAL A 89 14.473 -36.063 15.549 1.00 64.13 H new ATOM 1436 N GLY A 90 11.229 -35.834 11.554 1.00 61.31 N ATOM 1437 CA GLY A 90 10.035 -36.214 10.822 1.00 5.34 C ATOM 1438 C GLY A 90 9.159 -35.024 10.484 1.00 73.20 C ATOM 1439 O GLY A 90 8.310 -35.102 9.596 1.00 73.05 O ATOM 0 H GLY A 90 11.902 -35.284 11.020 1.00 61.31 H new ATOM 0 HA2 GLY A 90 10.323 -36.722 9.902 1.00 5.34 H new ATOM 0 HA3 GLY A 90 9.461 -36.927 11.414 1.00 5.34 H new ATOM 1443 N ASP A 91 9.362 -33.921 11.195 1.00 14.12 N ATOM 1444 CA ASP A 91 8.584 -32.708 10.967 1.00 22.15 C ATOM 1445 C ASP A 91 9.175 -31.891 9.822 1.00 32.31 C ATOM 1446 O ASP A 91 10.062 -32.355 9.107 1.00 53.31 O ATOM 1447 CB ASP A 91 8.531 -31.863 12.240 1.00 12.13 C ATOM 1448 CG ASP A 91 7.115 -31.477 12.620 1.00 44.21 C ATOM 1449 OD1 ASP A 91 6.378 -32.347 13.131 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 6.742 -30.305 12.406 1.00 3.14 O ATOM 0 H ASP A 91 10.059 -33.841 11.935 1.00 14.12 H new ATOM 0 HA ASP A 91 7.570 -33.002 10.694 1.00 22.15 H new ATOM 0 HB2 ASP A 91 8.986 -32.418 13.060 1.00 12.13 H new ATOM 0 HB3 ASP A 91 9.125 -30.960 12.098 1.00 12.13 H new ATOM 1455 N VAL A 92 8.677 -30.669 9.657 1.00 31.51 N ATOM 1456 CA VAL A 92 9.156 -29.786 8.600 1.00 42.33 C ATOM 1457 C VAL A 92 9.422 -28.383 9.134 1.00 75.52 C ATOM 1458 O VAL A 92 8.729 -27.909 10.034 1.00 53.31 O ATOM 1459 CB VAL A 92 8.145 -29.699 7.440 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.172 -30.975 6.612 1.00 55.14 C ATOM 1461 CG2 VAL A 92 6.747 -29.428 7.973 1.00 61.45 C ATOM 0 H VAL A 92 7.943 -30.269 10.241 1.00 31.51 H new ATOM 0 HA VAL A 92 10.088 -30.213 8.229 1.00 42.33 H new ATOM 0 HB VAL A 92 8.429 -28.869 6.793 1.00 41.12 H new ATOM 0 HG11 VAL A 92 7.452 -30.896 5.798 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.171 -31.121 6.200 1.00 55.14 H new ATOM 0 HG13 VAL A 92 7.913 -31.824 7.244 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.045 -29.370 7.141 1.00 61.45 H new ATOM 0 HG22 VAL A 92 6.450 -30.236 8.642 1.00 61.45 H new ATOM 0 HG23 VAL A 92 6.742 -28.484 8.519 1.00 61.45 H new ATOM 1471 N VAL A 93 10.429 -27.723 8.573 1.00 53.22 N ATOM 1472 CA VAL A 93 10.786 -26.373 8.992 1.00 1.40 C ATOM 1473 C VAL A 93 10.768 -25.409 7.811 1.00 13.54 C ATOM 1474 O VAL A 93 11.131 -25.774 6.693 1.00 42.32 O ATOM 1475 CB VAL A 93 12.180 -26.338 9.647 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.226 -26.923 8.710 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.544 -24.918 10.048 1.00 1.50 C ATOM 0 H VAL A 93 11.013 -28.101 7.827 1.00 53.22 H new ATOM 0 HA VAL A 93 10.041 -26.062 9.724 1.00 1.40 H new ATOM 0 HB VAL A 93 12.154 -26.950 10.549 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.204 -26.890 9.190 1.00 2.00 H new ATOM 0 HG12 VAL A 93 12.970 -27.957 8.479 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.254 -26.342 7.788 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.532 -24.912 10.509 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.553 -24.281 9.164 1.00 1.50 H new ATOM 0 HG23 VAL A 93 11.809 -24.541 10.759 1.00 1.50 H new ATOM 1487 N GLU A 94 10.345 -24.175 8.067 1.00 63.33 N ATOM 1488 CA GLU A 94 10.279 -23.158 7.025 1.00 13.04 C ATOM 1489 C GLU A 94 11.218 -21.996 7.338 1.00 14.14 C ATOM 1490 O GLU A 94 11.220 -21.469 8.451 1.00 22.33 O ATOM 1491 CB GLU A 94 8.847 -22.643 6.873 1.00 72.23 C ATOM 1492 CG GLU A 94 8.078 -23.310 5.744 1.00 51.42 C ATOM 1493 CD GLU A 94 6.580 -23.104 5.858 1.00 45.35 C ATOM 1494 OE1 GLU A 94 6.132 -21.942 5.762 1.00 3.23 O ATOM 1495 OE2 GLU A 94 5.855 -24.103 6.044 1.00 11.44 O1- ATOM 0 H GLU A 94 10.043 -23.856 8.987 1.00 63.33 H new ATOM 0 HA GLU A 94 10.594 -23.615 6.087 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.312 -22.801 7.809 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.873 -21.567 6.698 1.00 72.23 H new ATOM 0 HG2 GLU A 94 8.424 -22.913 4.790 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.295 -24.378 5.743 1.00 51.42 H new ATOM 1502 N ILE A 95 12.015 -21.604 6.350 1.00 43.41 N ATOM 1503 CA ILE A 95 12.958 -20.505 6.520 1.00 24.11 C ATOM 1504 C ILE A 95 12.833 -19.493 5.386 1.00 51.42 C ATOM 1505 O ILE A 95 12.691 -19.867 4.222 1.00 43.44 O ATOM 1506 CB ILE A 95 14.410 -21.015 6.581 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.517 -22.204 7.537 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.346 -19.896 7.013 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.313 -23.542 6.861 1.00 4.40 C ATOM 0 H ILE A 95 12.027 -22.031 5.424 1.00 43.41 H new ATOM 0 HA ILE A 95 12.712 -20.020 7.465 1.00 24.11 H new ATOM 0 HB ILE A 95 14.705 -21.346 5.585 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.498 -22.191 8.011 1.00 21.22 H new ATOM 0 HG13 ILE A 95 13.778 -22.090 8.330 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.369 -20.272 7.052 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.287 -19.076 6.297 1.00 24.14 H new ATOM 0 HG23 ILE A 95 15.054 -19.538 8.000 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.403 -24.340 7.598 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.321 -23.574 6.410 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.068 -23.677 6.087 1.00 4.40 H new ATOM 1521 N GLU A 96 12.889 -18.212 5.735 1.00 15.41 N ATOM 1522 CA GLU A 96 12.783 -17.147 4.746 1.00 4.20 C ATOM 1523 C GLU A 96 13.790 -17.350 3.616 1.00 3.25 C ATOM 1524 O GLU A 96 14.998 -17.402 3.849 1.00 21.32 O ATOM 1525 CB GLU A 96 13.008 -15.784 5.405 1.00 33.11 C ATOM 1526 CG GLU A 96 14.355 -15.657 6.096 1.00 44.11 C ATOM 1527 CD GLU A 96 14.393 -14.517 7.096 1.00 24.12 C ATOM 1528 OE1 GLU A 96 13.822 -13.447 6.798 1.00 23.44 O1- ATOM 1529 OE2 GLU A 96 14.994 -14.696 8.176 1.00 64.34 O ATOM 0 H GLU A 96 13.007 -17.887 6.695 1.00 15.41 H new ATOM 0 HA GLU A 96 11.778 -17.178 4.324 1.00 4.20 H new ATOM 0 HB2 GLU A 96 12.923 -15.005 4.647 1.00 33.11 H new ATOM 0 HB3 GLU A 96 12.217 -15.607 6.134 1.00 33.11 H new ATOM 0 HG2 GLU A 96 14.586 -16.591 6.607 1.00 44.11 H new ATOM 0 HG3 GLU A 96 15.131 -15.503 5.346 1.00 44.11 H new ATOM 1536 N VAL A 97 13.283 -17.466 2.393 1.00 52.41 N ATOM 1537 CA VAL A 97 14.136 -17.663 1.228 1.00 41.24 C ATOM 1538 C VAL A 97 13.728 -16.740 0.085 1.00 64.02 C ATOM 1539 O VAL A 97 14.198 -16.885 -1.044 1.00 40.42 O ATOM 1540 CB VAL A 97 14.088 -19.123 0.737 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.765 -19.408 0.041 1.00 41.13 C ATOM 1542 CG2 VAL A 97 15.260 -19.413 -0.188 1.00 14.33 C ATOM 0 H VAL A 97 12.285 -17.427 2.184 1.00 52.41 H new ATOM 0 HA VAL A 97 15.154 -17.425 1.537 1.00 41.24 H new ATOM 0 HB VAL A 97 14.166 -19.782 1.602 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.749 -20.443 -0.299 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.944 -19.242 0.738 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.654 -18.743 -0.815 1.00 41.13 H new ATOM 0 HG21 VAL A 97 15.210 -20.448 -0.525 1.00 14.33 H new ATOM 0 HG22 VAL A 97 15.216 -18.748 -1.051 1.00 14.33 H new ATOM 0 HG23 VAL A 97 16.195 -19.251 0.348 1.00 14.33 H new ATOM 1552 N THR A 98 12.849 -15.789 0.385 1.00 74.11 N ATOM 1553 CA THR A 98 12.375 -14.843 -0.617 1.00 21.42 C ATOM 1554 C THR A 98 13.429 -13.781 -0.912 1.00 23.55 C ATOM 1555 O THR A 98 14.115 -13.286 -0.016 1.00 72.05 O ATOM 1556 CB THR A 98 11.076 -14.148 -0.165 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.539 -13.367 -1.239 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.332 -13.255 1.040 1.00 33.24 C ATOM 0 H THR A 98 12.451 -15.654 1.314 1.00 74.11 H new ATOM 0 HA THR A 98 12.176 -15.416 -1.523 1.00 21.42 H new ATOM 0 HB THR A 98 10.358 -14.917 0.119 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.713 -12.930 -0.944 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.401 -12.775 1.341 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.713 -13.857 1.865 1.00 33.24 H new ATOM 0 HG23 THR A 98 12.065 -12.492 0.778 1.00 33.24 H new ATOM 1566 N PRO A 99 13.564 -13.420 -2.196 1.00 61.42 N ATOM 1567 CA PRO A 99 14.533 -12.413 -2.638 1.00 22.35 C ATOM 1568 C PRO A 99 14.157 -11.008 -2.180 1.00 21.13 C ATOM 1569 O PRO A 99 13.000 -10.738 -1.856 1.00 4.33 O ATOM 1570 CB PRO A 99 14.476 -12.511 -4.164 1.00 33.45 C ATOM 1571 CG PRO A 99 13.119 -13.051 -4.459 1.00 23.31 C ATOM 1572 CD PRO A 99 12.781 -13.968 -3.317 1.00 75.43 C ATOM 0 HA PRO A 99 15.525 -12.592 -2.223 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.624 -11.536 -4.629 1.00 33.45 H new ATOM 0 HB3 PRO A 99 15.256 -13.169 -4.548 1.00 33.45 H new ATOM 0 HG2 PRO A 99 12.389 -12.246 -4.543 1.00 23.31 H new ATOM 0 HG3 PRO A 99 13.111 -13.589 -5.407 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.713 -13.964 -3.101 1.00 75.43 H new ATOM 0 HD3 PRO A 99 13.058 -15.000 -3.534 1.00 75.43 H new ATOM 1580 N LYS A 100 15.141 -10.115 -2.158 1.00 1.34 N ATOM 1581 CA LYS A 100 14.913 -8.735 -1.741 1.00 31.23 C ATOM 1582 C LYS A 100 14.198 -7.949 -2.835 1.00 11.53 C ATOM 1583 O LYS A 100 13.817 -6.795 -2.634 1.00 43.02 O ATOM 1584 CB LYS A 100 16.242 -8.059 -1.398 1.00 14.02 C ATOM 1585 CG LYS A 100 16.083 -6.763 -0.621 1.00 13.24 C ATOM 1586 CD LYS A 100 17.394 -6.325 0.008 1.00 51.30 C ATOM 1587 CE LYS A 100 17.261 -4.972 0.689 1.00 60.13 C ATOM 1588 NZ LYS A 100 16.828 -5.105 2.108 1.00 62.04 N1+ ATOM 0 H LYS A 100 16.104 -10.322 -2.424 1.00 1.34 H new ATOM 0 HA LYS A 100 14.280 -8.748 -0.854 1.00 31.23 H new ATOM 0 HB2 LYS A 100 16.852 -8.750 -0.815 1.00 14.02 H new ATOM 0 HB3 LYS A 100 16.785 -7.855 -2.321 1.00 14.02 H new ATOM 0 HG2 LYS A 100 15.719 -5.981 -1.287 1.00 13.24 H new ATOM 0 HG3 LYS A 100 15.331 -6.894 0.157 1.00 13.24 H new ATOM 0 HD2 LYS A 100 17.716 -7.070 0.736 1.00 51.30 H new ATOM 0 HD3 LYS A 100 18.167 -6.273 -0.759 1.00 51.30 H new ATOM 0 HE2 LYS A 100 18.217 -4.450 0.648 1.00 60.13 H new ATOM 0 HE3 LYS A 100 16.540 -4.361 0.145 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 16.749 -4.161 2.537 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 15.904 -5.581 2.146 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 17.528 -5.666 2.633 1.00 62.04 H new ATOM 1602 N ASP A 101 14.017 -8.580 -3.989 1.00 23.32 N ATOM 1603 CA ASP A 101 13.344 -7.939 -5.114 1.00 41.13 C ATOM 1604 C ASP A 101 11.952 -8.527 -5.322 1.00 43.12 C ATOM 1605 O ASP A 101 11.268 -8.203 -6.292 1.00 15.43 O ATOM 1606 CB ASP A 101 14.173 -8.096 -6.389 1.00 64.01 C ATOM 1607 CG ASP A 101 15.287 -7.073 -6.486 1.00 62.02 C ATOM 1608 OD1 ASP A 101 14.991 -5.864 -6.395 1.00 24.30 O1- ATOM 1609 OD2 ASP A 101 16.456 -7.481 -6.653 1.00 12.30 O ATOM 0 H ASP A 101 14.326 -9.535 -4.171 1.00 23.32 H new ATOM 0 HA ASP A 101 13.240 -6.878 -4.886 1.00 41.13 H new ATOM 0 HB2 ASP A 101 14.601 -9.098 -6.419 1.00 64.01 H new ATOM 0 HB3 ASP A 101 13.520 -8.001 -7.257 1.00 64.01 H new ATOM 1614 N PHE A 102 11.539 -9.395 -4.404 1.00 61.52 N ATOM 1615 CA PHE A 102 10.230 -10.031 -4.487 1.00 41.25 C ATOM 1616 C PHE A 102 9.119 -9.032 -4.177 1.00 61.03 C ATOM 1617 O PHE A 102 7.955 -9.258 -4.505 1.00 73.03 O ATOM 1618 CB PHE A 102 10.152 -11.215 -3.521 1.00 42.23 C ATOM 1619 CG PHE A 102 9.548 -12.447 -4.129 1.00 43.43 C ATOM 1620 CD1 PHE A 102 10.051 -12.972 -5.309 1.00 34.02 C ATOM 1621 CD2 PHE A 102 8.476 -13.083 -3.522 1.00 61.34 C ATOM 1622 CE1 PHE A 102 9.496 -14.105 -5.873 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.918 -14.218 -4.081 1.00 54.01 C ATOM 1624 CZ PHE A 102 8.430 -14.729 -5.256 1.00 15.23 C ATOM 0 H PHE A 102 12.093 -9.674 -3.594 1.00 61.52 H new ATOM 0 HA PHE A 102 10.094 -10.394 -5.506 1.00 41.25 H new ATOM 0 HB2 PHE A 102 11.155 -11.450 -3.165 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.565 -10.924 -2.650 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.887 -12.490 -5.794 1.00 34.02 H new ATOM 0 HD2 PHE A 102 8.072 -12.687 -2.602 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.895 -14.502 -6.795 1.00 50.23 H new ATOM 0 HE2 PHE A 102 7.083 -14.704 -3.599 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.997 -15.617 -5.693 1.00 15.23 H new ATOM 1634 N GLY A 103 9.488 -7.925 -3.540 1.00 33.20 N ATOM 1635 CA GLY A 103 8.513 -6.908 -3.194 1.00 14.33 C ATOM 1636 C GLY A 103 7.662 -6.494 -4.379 1.00 14.11 C ATOM 1637 O GLY A 103 6.435 -6.468 -4.291 1.00 52.21 O ATOM 0 H GLY A 103 10.445 -7.715 -3.257 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.867 -7.283 -2.400 1.00 14.33 H new ATOM 0 HA3 GLY A 103 9.029 -6.034 -2.798 1.00 14.33 H new ATOM 1641 N ARG A 104 8.316 -6.168 -5.489 1.00 11.41 N ATOM 1642 CA ARG A 104 7.612 -5.750 -6.695 1.00 21.11 C ATOM 1643 C ARG A 104 7.041 -6.955 -7.437 1.00 54.21 C ATOM 1644 O ARG A 104 5.913 -6.916 -7.928 1.00 35.02 O ATOM 1645 CB ARG A 104 8.553 -4.970 -7.616 1.00 50.22 C ATOM 1646 CG ARG A 104 9.279 -3.830 -6.922 1.00 72.45 C ATOM 1647 CD ARG A 104 8.314 -2.736 -6.489 1.00 22.14 C ATOM 1648 NE ARG A 104 7.783 -2.974 -5.150 1.00 50.51 N ATOM 1649 CZ ARG A 104 8.459 -2.720 -4.034 1.00 32.33 C ATOM 1650 NH1 ARG A 104 9.686 -2.222 -4.099 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 7.906 -2.962 -2.853 1.00 63.54 N ATOM 0 H ARG A 104 9.332 -6.185 -5.578 1.00 11.41 H new ATOM 0 HA ARG A 104 6.786 -5.103 -6.398 1.00 21.11 H new ATOM 0 HB2 ARG A 104 9.289 -5.656 -8.035 1.00 50.22 H new ATOM 0 HB3 ARG A 104 7.979 -4.569 -8.452 1.00 50.22 H new ATOM 0 HG2 ARG A 104 9.811 -4.213 -6.051 1.00 72.45 H new ATOM 0 HG3 ARG A 104 10.028 -3.411 -7.594 1.00 72.45 H new ATOM 0 HD2 ARG A 104 8.824 -1.773 -6.511 1.00 22.14 H new ATOM 0 HD3 ARG A 104 7.490 -2.677 -7.200 1.00 22.14 H new ATOM 0 HE ARG A 104 6.841 -3.356 -5.066 1.00 50.51 H new ATOM 0 HH11 ARG A 104 10.112 -2.033 -5.006 1.00 65.42 H new ATOM 0 HH12 ARG A 104 10.204 -2.028 -3.242 1.00 65.42 H new ATOM 0 HH21 ARG A 104 6.961 -3.343 -2.801 1.00 63.54 H new ATOM 0 HH22 ARG A 104 8.425 -2.767 -1.997 1.00 63.54 H new ATOM 1665 N ILE A 105 7.828 -8.023 -7.513 1.00 74.15 N ATOM 1666 CA ILE A 105 7.399 -9.239 -8.194 1.00 51.42 C ATOM 1667 C ILE A 105 6.094 -9.766 -7.608 1.00 31.22 C ATOM 1668 O ILE A 105 5.275 -10.350 -8.317 1.00 32.23 O ATOM 1669 CB ILE A 105 8.472 -10.342 -8.103 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.789 -9.853 -8.709 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.994 -11.603 -8.809 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.957 -10.773 -8.437 1.00 51.01 C ATOM 0 H ILE A 105 8.765 -8.071 -7.112 1.00 74.15 H new ATOM 0 HA ILE A 105 7.245 -8.978 -9.241 1.00 51.42 H new ATOM 0 HB ILE A 105 8.643 -10.578 -7.053 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.666 -9.745 -9.787 1.00 71.02 H new ATOM 0 HG13 ILE A 105 10.017 -8.863 -8.313 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.762 -12.374 -8.737 1.00 4.21 H new ATOM 0 HG22 ILE A 105 7.078 -11.959 -8.338 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.800 -11.381 -9.858 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.857 -10.364 -8.896 1.00 51.01 H new ATOM 0 HD12 ILE A 105 11.107 -10.862 -7.361 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.751 -11.757 -8.858 1.00 51.01 H new ATOM 1684 N ALA A 106 5.906 -9.553 -6.310 1.00 52.13 N ATOM 1685 CA ALA A 106 4.698 -10.004 -5.629 1.00 0.32 C ATOM 1686 C ALA A 106 3.447 -9.498 -6.340 1.00 11.13 C ATOM 1687 O ALA A 106 2.542 -10.272 -6.651 1.00 42.22 O ATOM 1688 CB ALA A 106 4.707 -9.543 -4.179 1.00 60.32 C ATOM 0 H ALA A 106 6.574 -9.071 -5.709 1.00 52.13 H new ATOM 0 HA ALA A 106 4.682 -11.094 -5.652 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.800 -9.886 -3.682 1.00 60.32 H new ATOM 0 HB2 ALA A 106 5.578 -9.957 -3.671 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.750 -8.454 -4.144 1.00 60.32 H new ATOM 1694 N ALA A 107 3.402 -8.194 -6.591 1.00 54.24 N ATOM 1695 CA ALA A 107 2.261 -7.584 -7.266 1.00 40.42 C ATOM 1696 C ALA A 107 2.244 -7.946 -8.748 1.00 61.51 C ATOM 1697 O ALA A 107 1.185 -8.202 -9.320 1.00 62.23 O ATOM 1698 CB ALA A 107 2.289 -6.073 -7.089 1.00 41.43 C ATOM 0 H ALA A 107 4.142 -7.539 -6.338 1.00 54.24 H new ATOM 0 HA ALA A 107 1.350 -7.974 -6.813 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.432 -5.631 -7.598 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.246 -5.830 -6.027 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.209 -5.674 -7.515 1.00 41.43 H new ATOM 1704 N GLN A 108 3.423 -7.962 -9.362 1.00 63.24 N ATOM 1705 CA GLN A 108 3.541 -8.291 -10.779 1.00 24.31 C ATOM 1706 C GLN A 108 3.015 -9.695 -11.057 1.00 33.31 C ATOM 1707 O GLN A 108 2.461 -9.961 -12.125 1.00 5.33 O ATOM 1708 CB GLN A 108 4.998 -8.181 -11.228 1.00 74.24 C ATOM 1709 CG GLN A 108 5.166 -8.128 -12.739 1.00 10.13 C ATOM 1710 CD GLN A 108 6.418 -7.386 -13.162 1.00 34.33 C ATOM 1711 OE1 GLN A 108 7.409 -7.996 -13.567 1.00 30.11 O ATOM 1712 NE2 GLN A 108 6.382 -6.062 -13.070 1.00 30.20 N ATOM 0 H GLN A 108 4.309 -7.752 -8.902 1.00 63.24 H new ATOM 0 HA GLN A 108 2.939 -7.579 -11.344 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.438 -7.285 -10.790 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.555 -9.033 -10.838 1.00 74.24 H new ATOM 0 HG2 GLN A 108 5.200 -9.144 -13.133 1.00 10.13 H new ATOM 0 HG3 GLN A 108 4.295 -7.644 -13.181 1.00 10.13 H new ATOM 0 HE21 GLN A 108 5.540 -5.597 -12.729 1.00 30.20 H new ATOM 0 HE22 GLN A 108 7.196 -5.510 -13.340 1.00 30.20 H new ATOM 1721 N THR A 109 3.190 -10.590 -10.091 1.00 14.35 N ATOM 1722 CA THR A 109 2.735 -11.968 -10.234 1.00 1.22 C ATOM 1723 C THR A 109 1.265 -12.103 -9.851 1.00 5.53 C ATOM 1724 O THR A 109 0.554 -12.958 -10.376 1.00 22.25 O ATOM 1725 CB THR A 109 3.571 -12.928 -9.365 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.964 -12.633 -9.511 1.00 62.10 O ATOM 1727 CG2 THR A 109 3.310 -14.375 -9.756 1.00 43.12 C ATOM 0 H THR A 109 3.644 -10.386 -9.201 1.00 14.35 H new ATOM 0 HA THR A 109 2.861 -12.236 -11.283 1.00 1.22 H new ATOM 0 HB THR A 109 3.279 -12.790 -8.324 1.00 63.33 H new ATOM 0 HG1 THR A 109 5.148 -11.739 -9.153 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.910 -15.035 -9.130 1.00 43.12 H new ATOM 0 HG22 THR A 109 2.254 -14.605 -9.617 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.579 -14.523 -10.802 1.00 43.12 H new ATOM 1735 N ALA A 110 0.817 -11.253 -8.932 1.00 1.34 N ATOM 1736 CA ALA A 110 -0.568 -11.277 -8.482 1.00 65.20 C ATOM 1737 C ALA A 110 -1.497 -10.676 -9.531 1.00 34.15 C ATOM 1738 O ALA A 110 -2.578 -11.204 -9.794 1.00 63.40 O ATOM 1739 CB ALA A 110 -0.707 -10.531 -7.162 1.00 42.13 C ATOM 0 H ALA A 110 1.394 -10.540 -8.485 1.00 1.34 H new ATOM 0 HA ALA A 110 -0.857 -12.317 -8.332 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -1.747 -10.557 -6.837 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.080 -11.006 -6.408 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.394 -9.495 -7.295 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.070 -9.569 -10.128 1.00 4.43 N ATOM 1746 CA LYS A 111 -1.863 -8.896 -11.150 1.00 13.33 C ATOM 1747 C LYS A 111 -2.063 -9.797 -12.365 1.00 33.32 C ATOM 1748 O LYS A 111 -3.171 -9.912 -12.887 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.184 -7.592 -11.575 1.00 20.42 C ATOM 1750 CG LYS A 111 0.258 -7.772 -12.015 1.00 74.20 C ATOM 1751 CD LYS A 111 0.379 -7.821 -13.529 1.00 34.11 C ATOM 1752 CE LYS A 111 0.684 -6.448 -14.107 1.00 74.34 C ATOM 1753 NZ LYS A 111 0.434 -6.396 -15.575 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.179 -9.118 -9.922 1.00 4.43 H new ATOM 0 HA LYS A 111 -2.840 -8.668 -10.724 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.751 -7.146 -12.392 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -1.216 -6.888 -10.744 1.00 20.42 H new ATOM 0 HG2 LYS A 111 0.862 -6.952 -11.628 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.657 -8.692 -11.588 1.00 74.20 H new ATOM 0 HD2 LYS A 111 1.168 -8.519 -13.810 1.00 34.11 H new ATOM 0 HD3 LYS A 111 -0.549 -8.200 -13.957 1.00 34.11 H new ATOM 0 HE2 LYS A 111 0.070 -5.699 -13.607 1.00 74.34 H new ATOM 0 HE3 LYS A 111 1.724 -6.192 -13.906 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 0.654 -5.444 -15.931 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 1.038 -7.093 -16.055 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 -0.565 -6.615 -15.765 1.00 63.44 H new ATOM 1767 N GLN A 112 -0.983 -10.433 -12.807 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.042 -11.325 -13.960 1.00 10.21 C ATOM 1769 C GLN A 112 -1.985 -12.494 -13.698 1.00 0.31 C ATOM 1770 O GLN A 112 -2.622 -13.011 -14.616 1.00 14.34 O ATOM 1771 CB GLN A 112 0.355 -11.848 -14.299 1.00 41.41 C ATOM 1772 CG GLN A 112 0.977 -12.683 -13.191 1.00 33.01 C ATOM 1773 CD GLN A 112 2.255 -13.370 -13.625 1.00 31.12 C ATOM 1774 OE1 GLN A 112 3.065 -12.798 -14.355 1.00 53.14 O ATOM 1775 NE2 GLN A 112 2.444 -14.607 -13.179 1.00 73.33 N ATOM 0 H GLN A 112 -0.058 -10.348 -12.385 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.425 -10.756 -14.807 1.00 10.21 H new ATOM 0 HB2 GLN A 112 0.299 -12.448 -15.207 1.00 41.41 H new ATOM 0 HB3 GLN A 112 1.008 -11.002 -14.516 1.00 41.41 H new ATOM 0 HG2 GLN A 112 1.186 -12.044 -12.333 1.00 33.01 H new ATOM 0 HG3 GLN A 112 0.259 -13.434 -12.861 1.00 33.01 H new ATOM 0 HE21 GLN A 112 1.747 -15.044 -12.576 1.00 73.33 H new ATOM 0 HE22 GLN A 112 3.286 -15.120 -13.440 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.072 -12.906 -12.436 1.00 42.44 N ATOM 1785 CA VAL A 113 -2.939 -14.014 -12.052 1.00 53.54 C ATOM 1786 C VAL A 113 -4.403 -13.589 -12.045 1.00 33.44 C ATOM 1787 O VAL A 113 -5.238 -14.190 -12.720 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.567 -14.561 -10.661 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -3.632 -15.527 -10.165 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.203 -15.233 -10.700 1.00 71.43 C ATOM 0 H VAL A 113 -1.553 -12.489 -11.663 1.00 42.44 H new ATOM 0 HA VAL A 113 -2.796 -14.800 -12.793 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.515 -13.725 -9.963 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.352 -15.903 -9.181 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.589 -15.010 -10.097 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -3.719 -16.361 -10.861 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -0.956 -15.614 -9.709 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.225 -16.059 -11.411 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.449 -14.509 -11.008 1.00 71.43 H new ATOM 1800 N VAL A 114 -4.707 -12.548 -11.277 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.071 -12.041 -11.182 1.00 44.31 C ATOM 1802 C VAL A 114 -6.624 -11.690 -12.559 1.00 24.40 C ATOM 1803 O VAL A 114 -7.809 -11.882 -12.833 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.145 -10.795 -10.280 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -5.786 -11.152 -8.846 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.232 -9.699 -10.809 1.00 62.43 C ATOM 0 H VAL A 114 -4.027 -12.039 -10.712 1.00 62.31 H new ATOM 0 HA VAL A 114 -6.674 -12.836 -10.743 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.169 -10.421 -10.291 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -5.844 -10.259 -8.223 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.484 -11.901 -8.472 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -4.773 -11.552 -8.813 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.297 -8.826 -10.159 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.204 -10.060 -10.829 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.540 -9.424 -11.818 1.00 62.43 H new ATOM 1816 N THR A 115 -5.756 -11.175 -13.426 1.00 11.13 N ATOM 1817 CA THR A 115 -6.158 -10.797 -14.775 1.00 33.11 C ATOM 1818 C THR A 115 -6.879 -11.942 -15.476 1.00 25.41 C ATOM 1819 O THR A 115 -7.816 -11.721 -16.241 1.00 0.53 O ATOM 1820 CB THR A 115 -4.943 -10.373 -15.624 1.00 14.23 C ATOM 1821 OG1 THR A 115 -4.344 -9.198 -15.069 1.00 20.24 O ATOM 1822 CG2 THR A 115 -5.356 -10.108 -17.063 1.00 72.31 C ATOM 0 H THR A 115 -4.771 -11.011 -13.217 1.00 11.13 H new ATOM 0 HA THR A 115 -6.838 -9.951 -14.677 1.00 33.11 H new ATOM 0 HB THR A 115 -4.218 -11.187 -15.615 1.00 14.23 H new ATOM 0 HG1 THR A 115 -3.697 -9.455 -14.379 1.00 20.24 H new ATOM 0 HG21 THR A 115 -4.483 -9.810 -17.643 1.00 72.31 H new ATOM 0 HG22 THR A 115 -5.785 -11.014 -17.491 1.00 72.31 H new ATOM 0 HG23 THR A 115 -6.097 -9.309 -17.088 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.435 -13.167 -15.208 1.00 72.25 N ATOM 1831 CA GLN A 116 -7.039 -14.347 -15.814 1.00 54.01 C ATOM 1832 C GLN A 116 -8.420 -14.617 -15.223 1.00 61.15 C ATOM 1833 O GLN A 116 -9.387 -14.831 -15.953 1.00 62.10 O ATOM 1834 CB GLN A 116 -6.139 -15.567 -15.614 1.00 65.13 C ATOM 1835 CG GLN A 116 -4.852 -15.513 -16.422 1.00 43.44 C ATOM 1836 CD GLN A 116 -3.920 -16.667 -16.112 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -4.179 -17.809 -16.491 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -2.825 -16.373 -15.420 1.00 23.42 N ATOM 0 H GLN A 116 -5.660 -13.367 -14.576 1.00 72.25 H new ATOM 0 HA GLN A 116 -7.151 -14.158 -16.882 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -5.891 -15.655 -14.556 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -6.693 -16.465 -15.888 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -5.094 -15.522 -17.485 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -4.340 -14.573 -16.220 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -2.650 -15.412 -15.126 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -2.159 -17.108 -15.183 1.00 23.42 H new ATOM 1847 N ARG A 117 -8.502 -14.605 -13.896 1.00 54.30 N ATOM 1848 CA ARG A 117 -9.763 -14.850 -13.207 1.00 0.51 C ATOM 1849 C ARG A 117 -10.834 -13.864 -13.667 1.00 2.44 C ATOM 1850 O ARG A 117 -12.017 -14.200 -13.728 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.571 -14.741 -11.693 1.00 31.12 C ATOM 1852 CG ARG A 117 -8.387 -15.539 -11.171 1.00 40.43 C ATOM 1853 CD ARG A 117 -8.478 -17.002 -11.576 1.00 72.54 C ATOM 1854 NE ARG A 117 -9.722 -17.618 -11.123 1.00 64.15 N ATOM 1855 CZ ARG A 117 -9.889 -18.930 -10.999 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -8.896 -19.759 -11.294 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -11.050 -19.416 -10.579 1.00 63.20 N ATOM 0 H ARG A 117 -7.710 -14.428 -13.277 1.00 54.30 H new ATOM 0 HA ARG A 117 -10.093 -15.859 -13.453 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.438 -13.693 -11.427 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.478 -15.084 -11.195 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -7.461 -15.111 -11.555 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -8.347 -15.463 -10.084 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -8.407 -17.083 -12.661 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -7.631 -17.547 -11.160 1.00 72.54 H new ATOM 0 HE ARG A 117 -10.505 -17.008 -10.889 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -8.002 -19.389 -11.617 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -9.027 -20.766 -11.198 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -11.816 -18.782 -10.351 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -11.177 -20.424 -10.484 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.411 -12.645 -13.988 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.332 -11.611 -14.442 1.00 4.21 C ATOM 1873 C VAL A 118 -12.139 -12.085 -15.646 1.00 14.31 C ATOM 1874 O VAL A 118 -13.355 -11.901 -15.702 1.00 21.50 O ATOM 1875 CB VAL A 118 -10.585 -10.318 -14.815 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -11.569 -9.225 -15.205 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -9.699 -9.864 -13.665 1.00 2.43 C ATOM 0 H VAL A 118 -9.436 -12.350 -13.942 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.009 -11.404 -13.613 1.00 4.21 H new ATOM 0 HB VAL A 118 -9.948 -10.523 -15.675 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.022 -8.319 -15.465 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.156 -9.553 -16.063 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -12.235 -9.019 -14.367 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -9.178 -8.949 -13.946 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -10.313 -9.676 -12.785 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -8.969 -10.642 -13.439 1.00 2.43 H new