USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 LYS NZ :NH3+ 146:sc= 1.05 (180deg=0) USER MOD Set 1.2: A 78 GLN : amide:sc= -0.821 K(o=0.23,f=-13!) USER MOD Set 2.1: A 67 SER OG : rot 176:sc= 1.24 USER MOD Set 2.2: A 86 ASN : amide:sc= 0.159 K(o=1.4,f=-5.9!) USER MOD Set 3.1: A 42 ASN : amide:sc= -1.32 K(o=-1.2,f=-5.3!) USER MOD Set 3.2: A 57 THR OG1 : rot -169:sc= 0.0936 USER MOD Set 4.1: A 37 ASN : amide:sc= -4.54! C(o=-4.8!,f=-7.1!) USER MOD Set 4.2: A 53 ASN : amide:sc= -0.269 K(o=-4.8,f=-11!) USER MOD Set 5.1: A 19 THR OG1 : rot -56:sc= 1.25 USER MOD Set 5.2: A 33 SER OG : rot 5:sc= 1.05 USER MOD Set 6.1: A 21 THR OG1 : rot -54:sc= 1.02 USER MOD Set 6.2: A 31 THR OG1 : rot 180:sc= 0.886 USER MOD Set 7.1: A 11 SER OG : rot 180:sc= 1.1 USER MOD Set 7.2: A 20 SER OG : rot 110:sc= 1.14 USER MOD Set 8.1: A 7 THR OG1 : rot -170:sc= 0.0215 USER MOD Set 8.2: A 93 ASN : amide:sc= -1.26 K(o=-1.2,f=-5.4!) USER MOD Single : A 1 LEU N :NH3+ -161:sc= -0.0744 (180deg=-0.481) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -2.33 X(o=-2.3,f=-2.2) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.375 K(o=-0.37,f=-2.3!) USER MOD Single : A 14 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.55) USER MOD Single : A 16 SER OG : rot 103:sc= 0.973 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0412 K(o=-0.041,f=-1.7!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc=-0.00829 K(o=-0.0083,f=-1) USER MOD Single : A 32 SER OG : rot 170:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0.818 K(o=0.82,f=-0.98) USER MOD Single : A 52 SER OG : rot 30:sc= 0.673 USER MOD Single : A 60 ASN : amide:sc= -0.598 K(o=-0.6,f=-3.6!) USER MOD Single : A 61 THR OG1 : rot 142:sc= 1.22 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 79 GLN : amide:sc= -0.0365 K(o=-0.036,f=-2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -100:sc= -0.414 USER MOD Single : A 84 LYS NZ :NH3+ -116:sc= -0.934 (180deg=-2.93!) USER MOD Single : A 90 HIS :FLIP no HE2:sc= -0.347 F(o=-0.88,f=-0.35) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0866) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 84.338 11.744 -4.001 1.00 0.30 N ATOM 2 CA LEU A 1 83.370 10.730 -4.503 1.00 0.28 C ATOM 3 C LEU A 1 82.410 10.326 -3.385 1.00 0.26 C ATOM 4 O LEU A 1 82.799 10.122 -2.253 1.00 0.27 O ATOM 5 CB LEU A 1 84.120 9.483 -4.980 1.00 0.29 C ATOM 6 CG LEU A 1 85.046 9.834 -6.154 1.00 0.33 C ATOM 7 CD1 LEU A 1 85.824 8.580 -6.564 1.00 0.34 C ATOM 8 CD2 LEU A 1 84.222 10.343 -7.355 1.00 0.42 C ATOM 0 H1 LEU A 1 84.765 12.245 -4.806 1.00 0.30 H new ATOM 0 H2 LEU A 1 83.842 12.426 -3.392 1.00 0.30 H new ATOM 0 H3 LEU A 1 85.084 11.270 -3.453 1.00 0.30 H new ATOM 0 HA LEU A 1 82.811 11.165 -5.331 1.00 0.28 H new ATOM 0 HB2 LEU A 1 84.704 9.066 -4.160 1.00 0.29 H new ATOM 0 HB3 LEU A 1 83.408 8.717 -5.286 1.00 0.29 H new ATOM 0 HG LEU A 1 85.735 10.620 -5.845 1.00 0.33 H new ATOM 0 HD11 LEU A 1 86.485 8.818 -7.397 1.00 0.34 H new ATOM 0 HD12 LEU A 1 86.417 8.227 -5.720 1.00 0.34 H new ATOM 0 HD13 LEU A 1 85.125 7.801 -6.867 1.00 0.34 H new ATOM 0 HD21 LEU A 1 84.893 10.588 -8.179 1.00 0.42 H new ATOM 0 HD22 LEU A 1 83.525 9.568 -7.673 1.00 0.42 H new ATOM 0 HD23 LEU A 1 83.666 11.234 -7.063 1.00 0.42 H new ATOM 22 N GLY A 2 81.152 10.217 -3.704 1.00 0.24 N ATOM 23 CA GLY A 2 80.139 9.826 -2.683 1.00 0.24 C ATOM 24 C GLY A 2 80.045 10.897 -1.593 1.00 0.25 C ATOM 25 O GLY A 2 80.099 12.070 -1.887 1.00 0.33 O ATOM 0 H GLY A 2 80.777 10.384 -4.638 1.00 0.24 H new ATOM 0 HA2 GLY A 2 79.167 9.693 -3.157 1.00 0.24 H new ATOM 0 HA3 GLY A 2 80.410 8.868 -2.239 1.00 0.24 H new ATOM 29 N LYS A 3 79.889 10.490 -0.340 1.00 0.23 N ATOM 30 CA LYS A 3 79.769 11.444 0.820 1.00 0.23 C ATOM 31 C LYS A 3 78.358 12.036 0.862 1.00 0.19 C ATOM 32 O LYS A 3 78.111 13.045 1.491 1.00 0.20 O ATOM 33 CB LYS A 3 80.828 12.560 0.753 1.00 0.28 C ATOM 34 CG LYS A 3 82.223 11.923 0.752 1.00 0.34 C ATOM 35 CD LYS A 3 83.262 12.951 0.300 1.00 1.04 C ATOM 36 CE LYS A 3 83.278 14.125 1.281 1.00 1.30 C ATOM 37 NZ LYS A 3 84.516 14.926 1.074 1.00 1.98 N ATOM 0 H LYS A 3 79.839 9.507 -0.072 1.00 0.23 H new ATOM 0 HA LYS A 3 79.949 10.885 1.738 1.00 0.23 H new ATOM 0 HB2 LYS A 3 80.687 13.160 -0.146 1.00 0.28 H new ATOM 0 HB3 LYS A 3 80.721 13.232 1.604 1.00 0.28 H new ATOM 0 HG2 LYS A 3 82.468 11.560 1.750 1.00 0.34 H new ATOM 0 HG3 LYS A 3 82.238 11.060 0.086 1.00 0.34 H new ATOM 0 HD2 LYS A 3 84.248 12.490 0.252 1.00 1.04 H new ATOM 0 HD3 LYS A 3 83.026 13.305 -0.704 1.00 1.04 H new ATOM 0 HE2 LYS A 3 82.398 14.750 1.131 1.00 1.30 H new ATOM 0 HE3 LYS A 3 83.237 13.757 2.306 1.00 1.30 H new ATOM 0 HZ1 LYS A 3 84.528 15.724 1.740 1.00 1.98 H new ATOM 0 HZ2 LYS A 3 85.349 14.326 1.238 1.00 1.98 H new ATOM 0 HZ3 LYS A 3 84.536 15.288 0.099 1.00 1.98 H new ATOM 51 N PHE A 4 77.432 11.401 0.197 1.00 0.17 N ATOM 52 CA PHE A 4 76.022 11.890 0.175 1.00 0.17 C ATOM 53 C PHE A 4 75.531 12.209 1.595 1.00 0.16 C ATOM 54 O PHE A 4 74.558 12.917 1.767 1.00 0.15 O ATOM 55 CB PHE A 4 75.128 10.796 -0.437 1.00 0.18 C ATOM 56 CG PHE A 4 74.898 9.689 0.574 1.00 0.18 C ATOM 57 CD1 PHE A 4 75.840 8.664 0.734 1.00 0.21 C ATOM 58 CD2 PHE A 4 73.743 9.704 1.366 1.00 0.19 C ATOM 59 CE1 PHE A 4 75.620 7.655 1.680 1.00 0.24 C ATOM 60 CE2 PHE A 4 73.528 8.698 2.312 1.00 0.23 C ATOM 61 CZ PHE A 4 74.466 7.673 2.469 1.00 0.25 C ATOM 0 H PHE A 4 77.595 10.550 -0.341 1.00 0.17 H new ATOM 0 HA PHE A 4 75.973 12.802 -0.420 1.00 0.17 H new ATOM 0 HB2 PHE A 4 74.174 11.224 -0.744 1.00 0.18 H new ATOM 0 HB3 PHE A 4 75.598 10.390 -1.333 1.00 0.18 H new ATOM 0 HD1 PHE A 4 76.734 8.652 0.129 1.00 0.21 H new ATOM 0 HD2 PHE A 4 73.017 10.495 1.245 1.00 0.19 H new ATOM 0 HE1 PHE A 4 76.343 6.862 1.800 1.00 0.24 H new ATOM 0 HE2 PHE A 4 72.637 8.712 2.922 1.00 0.23 H new ATOM 0 HZ PHE A 4 74.299 6.895 3.200 1.00 0.25 H new ATOM 71 N SER A 5 76.151 11.683 2.613 1.00 0.15 N ATOM 72 CA SER A 5 75.661 11.950 3.997 1.00 0.15 C ATOM 73 C SER A 5 75.911 13.410 4.389 1.00 0.14 C ATOM 74 O SER A 5 75.386 13.889 5.375 1.00 0.14 O ATOM 75 CB SER A 5 76.404 11.027 4.966 1.00 0.18 C ATOM 76 OG SER A 5 77.756 11.454 5.074 1.00 0.21 O ATOM 0 H SER A 5 76.973 11.082 2.550 1.00 0.15 H new ATOM 0 HA SER A 5 74.588 11.762 4.039 1.00 0.15 H new ATOM 0 HB2 SER A 5 75.925 11.046 5.945 1.00 0.18 H new ATOM 0 HB3 SER A 5 76.362 9.997 4.611 1.00 0.18 H new ATOM 0 HG SER A 5 78.236 10.867 5.695 1.00 0.21 H new ATOM 82 N GLN A 6 76.695 14.128 3.632 1.00 0.15 N ATOM 83 CA GLN A 6 76.962 15.555 3.977 1.00 0.16 C ATOM 84 C GLN A 6 75.724 16.414 3.690 1.00 0.14 C ATOM 85 O GLN A 6 75.528 17.440 4.311 1.00 0.15 O ATOM 86 CB GLN A 6 78.138 16.071 3.148 1.00 0.20 C ATOM 87 CG GLN A 6 79.427 15.403 3.629 1.00 0.25 C ATOM 88 CD GLN A 6 80.603 15.873 2.768 1.00 0.29 C ATOM 89 OE1 GLN A 6 80.414 16.369 1.675 1.00 0.93 O ATOM 90 NE2 GLN A 6 81.820 15.739 3.222 1.00 1.12 N ATOM 0 H GLN A 6 77.162 13.790 2.791 1.00 0.15 H new ATOM 0 HA GLN A 6 77.201 15.620 5.038 1.00 0.16 H new ATOM 0 HB2 GLN A 6 77.976 15.856 2.092 1.00 0.20 H new ATOM 0 HB3 GLN A 6 78.218 17.154 3.244 1.00 0.20 H new ATOM 0 HG2 GLN A 6 79.608 15.650 4.675 1.00 0.25 H new ATOM 0 HG3 GLN A 6 79.330 14.319 3.570 1.00 0.25 H new ATOM 0 HE21 GLN A 6 81.979 15.323 4.139 1.00 1.12 H new ATOM 0 HE22 GLN A 6 82.611 16.051 2.659 1.00 1.12 H new ATOM 99 N THR A 7 74.893 16.017 2.749 1.00 0.13 N ATOM 100 CA THR A 7 73.674 16.834 2.422 1.00 0.14 C ATOM 101 C THR A 7 72.409 15.969 2.462 1.00 0.13 C ATOM 102 O THR A 7 71.392 16.347 1.915 1.00 0.14 O ATOM 103 CB THR A 7 73.821 17.449 1.026 1.00 0.16 C ATOM 104 OG1 THR A 7 74.094 16.425 0.081 1.00 0.17 O ATOM 105 CG2 THR A 7 74.965 18.465 1.025 1.00 0.20 C ATOM 0 H THR A 7 75.005 15.167 2.196 1.00 0.13 H new ATOM 0 HA THR A 7 73.583 17.624 3.168 1.00 0.14 H new ATOM 0 HB THR A 7 72.893 17.953 0.757 1.00 0.16 H new ATOM 0 HG1 THR A 7 74.343 16.829 -0.776 1.00 0.17 H new ATOM 0 HG21 THR A 7 75.065 18.899 0.030 1.00 0.20 H new ATOM 0 HG22 THR A 7 74.751 19.254 1.746 1.00 0.20 H new ATOM 0 HG23 THR A 7 75.895 17.966 1.298 1.00 0.20 H new ATOM 113 N CYS A 8 72.445 14.826 3.116 1.00 0.13 N ATOM 114 CA CYS A 8 71.217 13.961 3.204 1.00 0.13 C ATOM 115 C CYS A 8 71.004 13.573 4.669 1.00 0.13 C ATOM 116 O CYS A 8 71.934 13.561 5.450 1.00 0.14 O ATOM 117 CB CYS A 8 71.396 12.712 2.338 1.00 0.12 C ATOM 118 SG CYS A 8 71.685 13.212 0.619 1.00 0.12 S ATOM 0 H CYS A 8 73.268 14.456 3.591 1.00 0.13 H new ATOM 0 HA CYS A 8 70.345 14.504 2.839 1.00 0.13 H new ATOM 0 HB2 CYS A 8 72.235 12.120 2.703 1.00 0.12 H new ATOM 0 HB3 CYS A 8 70.509 12.081 2.401 1.00 0.12 H new ATOM 123 N TYR A 9 69.791 13.278 5.065 1.00 0.13 N ATOM 124 CA TYR A 9 69.545 12.915 6.498 1.00 0.14 C ATOM 125 C TYR A 9 68.382 11.917 6.603 1.00 0.14 C ATOM 126 O TYR A 9 67.719 11.621 5.629 1.00 0.14 O ATOM 127 CB TYR A 9 69.230 14.186 7.290 1.00 0.16 C ATOM 128 CG TYR A 9 67.883 14.728 6.885 1.00 0.18 C ATOM 129 CD1 TYR A 9 67.770 15.563 5.767 1.00 0.23 C ATOM 130 CD2 TYR A 9 66.749 14.396 7.628 1.00 0.21 C ATOM 131 CE1 TYR A 9 66.518 16.065 5.395 1.00 0.27 C ATOM 132 CE2 TYR A 9 65.496 14.899 7.257 1.00 0.26 C ATOM 133 CZ TYR A 9 65.380 15.733 6.141 1.00 0.27 C ATOM 134 OH TYR A 9 64.144 16.228 5.777 1.00 0.33 O ATOM 0 H TYR A 9 68.966 13.272 4.465 1.00 0.13 H new ATOM 0 HA TYR A 9 70.436 12.443 6.911 1.00 0.14 H new ATOM 0 HB2 TYR A 9 69.237 13.969 8.358 1.00 0.16 H new ATOM 0 HB3 TYR A 9 70.001 14.936 7.111 1.00 0.16 H new ATOM 0 HD1 TYR A 9 68.648 15.819 5.193 1.00 0.23 H new ATOM 0 HD2 TYR A 9 66.838 13.751 8.490 1.00 0.21 H new ATOM 0 HE1 TYR A 9 66.429 16.709 4.532 1.00 0.27 H new ATOM 0 HE2 TYR A 9 64.619 14.643 7.833 1.00 0.26 H new ATOM 0 HH TYR A 9 63.463 15.899 6.400 1.00 0.33 H new ATOM 144 N ASN A 10 68.153 11.386 7.777 1.00 0.15 N ATOM 145 CA ASN A 10 67.053 10.385 7.966 1.00 0.16 C ATOM 146 C ASN A 10 67.258 9.203 7.010 1.00 0.15 C ATOM 147 O ASN A 10 66.316 8.637 6.491 1.00 0.16 O ATOM 148 CB ASN A 10 65.683 11.035 7.715 1.00 0.18 C ATOM 149 CG ASN A 10 65.226 11.783 8.972 1.00 0.21 C ATOM 150 OD1 ASN A 10 65.960 11.877 9.937 1.00 0.81 O ATOM 151 ND2 ASN A 10 64.035 12.312 9.004 1.00 0.67 N ATOM 0 H ASN A 10 68.684 11.603 8.621 1.00 0.15 H new ATOM 0 HA ASN A 10 67.080 10.024 8.994 1.00 0.16 H new ATOM 0 HB2 ASN A 10 65.746 11.724 6.873 1.00 0.18 H new ATOM 0 HB3 ASN A 10 64.952 10.272 7.448 1.00 0.18 H new ATOM 0 HD21 ASN A 10 63.718 12.805 9.839 1.00 0.67 H new ATOM 0 HD22 ASN A 10 63.420 12.233 8.194 1.00 0.67 H new ATOM 158 N SER A 11 68.485 8.826 6.779 1.00 0.14 N ATOM 159 CA SER A 11 68.758 7.677 5.869 1.00 0.14 C ATOM 160 C SER A 11 68.241 6.384 6.500 1.00 0.13 C ATOM 161 O SER A 11 68.293 6.191 7.698 1.00 0.14 O ATOM 162 CB SER A 11 70.266 7.557 5.635 1.00 0.15 C ATOM 163 OG SER A 11 70.729 8.718 4.957 1.00 0.18 O ATOM 0 H SER A 11 69.313 9.265 7.182 1.00 0.14 H new ATOM 0 HA SER A 11 68.251 7.845 4.919 1.00 0.14 H new ATOM 0 HB2 SER A 11 70.786 7.446 6.587 1.00 0.15 H new ATOM 0 HB3 SER A 11 70.485 6.666 5.046 1.00 0.15 H new ATOM 0 HG SER A 11 71.695 8.646 4.806 1.00 0.18 H new ATOM 169 N ALA A 12 67.741 5.499 5.681 1.00 0.13 N ATOM 170 CA ALA A 12 67.202 4.203 6.197 1.00 0.13 C ATOM 171 C ALA A 12 67.515 3.091 5.197 1.00 0.13 C ATOM 172 O ALA A 12 67.661 3.330 4.013 1.00 0.13 O ATOM 173 CB ALA A 12 65.687 4.325 6.357 1.00 0.13 C ATOM 0 H ALA A 12 67.681 5.617 4.670 1.00 0.13 H new ATOM 0 HA ALA A 12 67.660 3.968 7.158 1.00 0.13 H new ATOM 0 HB1 ALA A 12 65.284 3.385 6.733 1.00 0.13 H new ATOM 0 HB2 ALA A 12 65.459 5.125 7.061 1.00 0.13 H new ATOM 0 HB3 ALA A 12 65.236 4.552 5.391 1.00 0.13 H new ATOM 179 N ILE A 13 67.619 1.873 5.674 1.00 0.13 N ATOM 180 CA ILE A 13 67.922 0.721 4.768 1.00 0.14 C ATOM 181 C ILE A 13 66.966 -0.434 5.050 1.00 0.14 C ATOM 182 O ILE A 13 66.715 -0.802 6.182 1.00 0.16 O ATOM 183 CB ILE A 13 69.386 0.276 4.950 1.00 0.14 C ATOM 184 CG1 ILE A 13 70.297 1.326 4.303 1.00 0.15 C ATOM 185 CG2 ILE A 13 69.608 -1.083 4.276 1.00 0.16 C ATOM 186 CD1 ILE A 13 71.742 1.139 4.756 1.00 0.17 C ATOM 0 H ILE A 13 67.506 1.627 6.657 1.00 0.13 H new ATOM 0 HA ILE A 13 67.784 1.035 3.733 1.00 0.14 H new ATOM 0 HB ILE A 13 69.615 0.182 6.012 1.00 0.14 H new ATOM 0 HG12 ILE A 13 70.238 1.247 3.217 1.00 0.15 H new ATOM 0 HG13 ILE A 13 69.954 2.326 4.569 1.00 0.15 H new ATOM 0 HG21 ILE A 13 70.645 -1.390 4.409 1.00 0.16 H new ATOM 0 HG22 ILE A 13 68.949 -1.825 4.727 1.00 0.16 H new ATOM 0 HG23 ILE A 13 69.388 -1.002 3.212 1.00 0.16 H new ATOM 0 HD11 ILE A 13 72.371 1.894 4.285 1.00 0.17 H new ATOM 0 HD12 ILE A 13 71.800 1.242 5.840 1.00 0.17 H new ATOM 0 HD13 ILE A 13 72.088 0.147 4.467 1.00 0.17 H new ATOM 198 N GLN A 14 66.445 -1.009 4.003 1.00 0.14 N ATOM 199 CA GLN A 14 65.508 -2.159 4.136 1.00 0.16 C ATOM 200 C GLN A 14 65.933 -3.208 3.113 1.00 0.15 C ATOM 201 O GLN A 14 65.972 -2.956 1.927 1.00 0.15 O ATOM 202 CB GLN A 14 64.078 -1.692 3.841 1.00 0.18 C ATOM 203 CG GLN A 14 63.083 -2.792 4.210 1.00 0.23 C ATOM 204 CD GLN A 14 63.059 -2.968 5.729 1.00 1.00 C ATOM 205 OE1 GLN A 14 62.921 -2.008 6.458 1.00 1.65 O ATOM 206 NE2 GLN A 14 63.189 -4.160 6.239 1.00 1.56 N ATOM 0 H GLN A 14 66.633 -0.725 3.042 1.00 0.14 H new ATOM 0 HA GLN A 14 65.535 -2.571 5.145 1.00 0.16 H new ATOM 0 HB2 GLN A 14 63.858 -0.787 4.407 1.00 0.18 H new ATOM 0 HB3 GLN A 14 63.979 -1.440 2.785 1.00 0.18 H new ATOM 0 HG2 GLN A 14 62.088 -2.534 3.847 1.00 0.23 H new ATOM 0 HG3 GLN A 14 63.365 -3.729 3.729 1.00 0.23 H new ATOM 0 HE21 GLN A 14 63.305 -4.967 5.626 1.00 1.56 H new ATOM 0 HE22 GLN A 14 63.175 -4.286 7.251 1.00 1.56 H new ATOM 215 N GLY A 15 66.285 -4.372 3.562 1.00 0.17 N ATOM 216 CA GLY A 15 66.741 -5.401 2.594 1.00 0.16 C ATOM 217 C GLY A 15 67.990 -4.865 1.888 1.00 0.14 C ATOM 218 O GLY A 15 68.987 -4.574 2.517 1.00 0.14 O ATOM 0 H GLY A 15 66.278 -4.655 4.542 1.00 0.17 H new ATOM 0 HA2 GLY A 15 66.965 -6.335 3.108 1.00 0.16 H new ATOM 0 HA3 GLY A 15 65.956 -5.617 1.869 1.00 0.16 H new ATOM 222 N SER A 16 67.929 -4.695 0.589 1.00 0.12 N ATOM 223 CA SER A 16 69.096 -4.138 -0.173 1.00 0.12 C ATOM 224 C SER A 16 68.740 -2.739 -0.694 1.00 0.11 C ATOM 225 O SER A 16 69.452 -2.163 -1.494 1.00 0.12 O ATOM 226 CB SER A 16 69.404 -5.052 -1.362 1.00 0.14 C ATOM 227 OG SER A 16 68.333 -4.987 -2.295 1.00 0.20 O ATOM 0 H SER A 16 67.114 -4.920 0.018 1.00 0.12 H new ATOM 0 HA SER A 16 69.966 -4.077 0.481 1.00 0.12 H new ATOM 0 HB2 SER A 16 70.336 -4.746 -1.838 1.00 0.14 H new ATOM 0 HB3 SER A 16 69.542 -6.078 -1.021 1.00 0.14 H new ATOM 0 HG SER A 16 68.591 -4.418 -3.050 1.00 0.20 H new ATOM 233 N VAL A 17 67.616 -2.200 -0.279 1.00 0.11 N ATOM 234 CA VAL A 17 67.182 -0.858 -0.789 1.00 0.11 C ATOM 235 C VAL A 17 67.667 0.291 0.111 1.00 0.11 C ATOM 236 O VAL A 17 67.362 0.360 1.286 1.00 0.13 O ATOM 237 CB VAL A 17 65.648 -0.833 -0.859 1.00 0.14 C ATOM 238 CG1 VAL A 17 65.163 0.572 -1.232 1.00 0.16 C ATOM 239 CG2 VAL A 17 65.173 -1.828 -1.920 1.00 0.19 C ATOM 0 H VAL A 17 66.980 -2.632 0.391 1.00 0.11 H new ATOM 0 HA VAL A 17 67.624 -0.711 -1.775 1.00 0.11 H new ATOM 0 HB VAL A 17 65.242 -1.106 0.115 1.00 0.14 H new ATOM 0 HG11 VAL A 17 64.074 0.580 -1.279 1.00 0.16 H new ATOM 0 HG12 VAL A 17 65.499 1.285 -0.479 1.00 0.16 H new ATOM 0 HG13 VAL A 17 65.571 0.852 -2.204 1.00 0.16 H new ATOM 0 HG21 VAL A 17 64.084 -1.812 -1.972 1.00 0.19 H new ATOM 0 HG22 VAL A 17 65.587 -1.551 -2.890 1.00 0.19 H new ATOM 0 HG23 VAL A 17 65.509 -2.830 -1.655 1.00 0.19 H new ATOM 249 N LEU A 18 68.378 1.217 -0.466 1.00 0.11 N ATOM 250 CA LEU A 18 68.841 2.414 0.299 1.00 0.12 C ATOM 251 C LEU A 18 67.788 3.508 0.095 1.00 0.12 C ATOM 252 O LEU A 18 67.399 3.807 -1.018 1.00 0.13 O ATOM 253 CB LEU A 18 70.207 2.881 -0.234 1.00 0.14 C ATOM 254 CG LEU A 18 70.609 4.225 0.398 1.00 0.17 C ATOM 255 CD1 LEU A 18 70.695 4.085 1.925 1.00 0.24 C ATOM 256 CD2 LEU A 18 71.976 4.647 -0.154 1.00 0.20 C ATOM 0 H LEU A 18 68.663 1.198 -1.445 1.00 0.11 H new ATOM 0 HA LEU A 18 68.958 2.183 1.358 1.00 0.12 H new ATOM 0 HB2 LEU A 18 70.965 2.129 -0.014 1.00 0.14 H new ATOM 0 HB3 LEU A 18 70.164 2.982 -1.318 1.00 0.14 H new ATOM 0 HG LEU A 18 69.860 4.978 0.154 1.00 0.17 H new ATOM 0 HD11 LEU A 18 70.980 5.042 2.363 1.00 0.24 H new ATOM 0 HD12 LEU A 18 69.725 3.781 2.318 1.00 0.24 H new ATOM 0 HD13 LEU A 18 71.441 3.333 2.180 1.00 0.24 H new ATOM 0 HD21 LEU A 18 72.269 5.599 0.289 1.00 0.20 H new ATOM 0 HD22 LEU A 18 72.718 3.888 0.093 1.00 0.20 H new ATOM 0 HD23 LEU A 18 71.914 4.754 -1.237 1.00 0.20 H new ATOM 268 N THR A 19 67.319 4.103 1.171 1.00 0.13 N ATOM 269 CA THR A 19 66.272 5.172 1.064 1.00 0.14 C ATOM 270 C THR A 19 66.696 6.386 1.899 1.00 0.14 C ATOM 271 O THR A 19 67.058 6.250 3.051 1.00 0.14 O ATOM 272 CB THR A 19 64.957 4.600 1.608 1.00 0.16 C ATOM 273 OG1 THR A 19 64.567 3.488 0.815 1.00 0.20 O ATOM 274 CG2 THR A 19 63.852 5.656 1.576 1.00 0.19 C ATOM 0 H THR A 19 67.619 3.892 2.123 1.00 0.13 H new ATOM 0 HA THR A 19 66.147 5.486 0.028 1.00 0.14 H new ATOM 0 HB THR A 19 65.112 4.289 2.641 1.00 0.16 H new ATOM 0 HG1 THR A 19 64.495 3.764 -0.123 1.00 0.20 H new ATOM 0 HG21 THR A 19 62.929 5.228 1.966 1.00 0.19 H new ATOM 0 HG22 THR A 19 64.145 6.508 2.190 1.00 0.19 H new ATOM 0 HG23 THR A 19 63.694 5.986 0.549 1.00 0.19 H new ATOM 282 N SER A 20 66.675 7.564 1.348 1.00 0.14 N ATOM 283 CA SER A 20 67.108 8.736 2.175 1.00 0.15 C ATOM 284 C SER A 20 66.562 10.053 1.614 1.00 0.14 C ATOM 285 O SER A 20 66.198 10.152 0.457 1.00 0.14 O ATOM 286 CB SER A 20 68.635 8.790 2.182 1.00 0.16 C ATOM 287 OG SER A 20 69.066 9.734 3.152 1.00 0.22 O ATOM 0 H SER A 20 66.387 7.771 0.391 1.00 0.14 H new ATOM 0 HA SER A 20 66.717 8.611 3.185 1.00 0.15 H new ATOM 0 HB2 SER A 20 69.044 7.806 2.409 1.00 0.16 H new ATOM 0 HB3 SER A 20 69.005 9.070 1.196 1.00 0.16 H new ATOM 0 HG SER A 20 69.484 9.263 3.903 1.00 0.22 H new ATOM 293 N THR A 21 66.523 11.076 2.439 1.00 0.16 N ATOM 294 CA THR A 21 66.027 12.411 1.972 1.00 0.16 C ATOM 295 C THR A 21 67.238 13.285 1.656 1.00 0.15 C ATOM 296 O THR A 21 68.088 13.495 2.500 1.00 0.17 O ATOM 297 CB THR A 21 65.192 13.067 3.075 1.00 0.19 C ATOM 298 OG1 THR A 21 64.022 12.295 3.305 1.00 0.22 O ATOM 299 CG2 THR A 21 64.799 14.482 2.648 1.00 0.25 C ATOM 0 H THR A 21 66.814 11.043 3.416 1.00 0.16 H new ATOM 0 HA THR A 21 65.405 12.292 1.085 1.00 0.16 H new ATOM 0 HB THR A 21 65.778 13.118 3.992 1.00 0.19 H new ATOM 0 HG1 THR A 21 63.539 12.174 2.461 1.00 0.22 H new ATOM 0 HG21 THR A 21 64.205 14.947 3.434 1.00 0.25 H new ATOM 0 HG22 THR A 21 65.698 15.073 2.475 1.00 0.25 H new ATOM 0 HG23 THR A 21 64.213 14.436 1.730 1.00 0.25 H new ATOM 307 N CYS A 22 67.336 13.789 0.444 1.00 0.14 N ATOM 308 CA CYS A 22 68.512 14.642 0.065 1.00 0.15 C ATOM 309 C CYS A 22 68.064 16.029 -0.394 1.00 0.15 C ATOM 310 O CYS A 22 66.962 16.218 -0.872 1.00 0.16 O ATOM 311 CB CYS A 22 69.279 13.956 -1.066 1.00 0.14 C ATOM 312 SG CYS A 22 70.102 12.482 -0.408 1.00 0.14 S ATOM 0 H CYS A 22 66.652 13.646 -0.299 1.00 0.14 H new ATOM 0 HA CYS A 22 69.151 14.763 0.940 1.00 0.15 H new ATOM 0 HB2 CYS A 22 68.597 13.680 -1.870 1.00 0.14 H new ATOM 0 HB3 CYS A 22 70.014 14.639 -1.492 1.00 0.14 H new ATOM 317 N GLU A 23 68.924 16.999 -0.254 1.00 0.18 N ATOM 318 CA GLU A 23 68.578 18.378 -0.678 1.00 0.19 C ATOM 319 C GLU A 23 68.826 18.565 -2.173 1.00 0.19 C ATOM 320 O GLU A 23 69.801 18.107 -2.732 1.00 0.22 O ATOM 321 CB GLU A 23 69.422 19.391 0.095 1.00 0.24 C ATOM 322 CG GLU A 23 68.891 20.796 -0.194 1.00 0.27 C ATOM 323 CD GLU A 23 69.722 21.827 0.570 1.00 0.32 C ATOM 324 OE1 GLU A 23 70.576 21.419 1.339 1.00 0.36 O ATOM 325 OE2 GLU A 23 69.490 23.009 0.372 1.00 0.35 O ATOM 0 H GLU A 23 69.859 16.891 0.140 1.00 0.18 H new ATOM 0 HA GLU A 23 67.520 18.539 -0.469 1.00 0.19 H new ATOM 0 HB2 GLU A 23 69.377 19.183 1.164 1.00 0.24 H new ATOM 0 HB3 GLU A 23 70.468 19.315 -0.201 1.00 0.24 H new ATOM 0 HG2 GLU A 23 68.935 20.999 -1.264 1.00 0.27 H new ATOM 0 HG3 GLU A 23 67.844 20.868 0.101 1.00 0.27 H new ATOM 332 N ARG A 24 67.937 19.279 -2.801 1.00 0.20 N ATOM 333 CA ARG A 24 68.056 19.580 -4.252 1.00 0.23 C ATOM 334 C ARG A 24 69.009 20.762 -4.435 1.00 0.25 C ATOM 335 O ARG A 24 69.203 21.567 -3.545 1.00 0.24 O ATOM 336 CB ARG A 24 66.679 19.971 -4.790 1.00 0.24 C ATOM 337 CG ARG A 24 65.704 18.812 -4.583 1.00 0.34 C ATOM 338 CD ARG A 24 64.330 19.196 -5.136 1.00 0.51 C ATOM 339 NE ARG A 24 64.396 19.256 -6.622 1.00 0.97 N ATOM 340 CZ ARG A 24 63.296 19.298 -7.325 1.00 1.52 C ATOM 341 NH1 ARG A 24 62.135 19.292 -6.726 1.00 1.87 N ATOM 342 NH2 ARG A 24 63.355 19.343 -8.629 1.00 2.24 N ATOM 0 H ARG A 24 67.110 19.677 -2.356 1.00 0.20 H new ATOM 0 HA ARG A 24 68.434 18.707 -4.785 1.00 0.23 H new ATOM 0 HB2 ARG A 24 66.316 20.862 -4.278 1.00 0.24 H new ATOM 0 HB3 ARG A 24 66.747 20.218 -5.849 1.00 0.24 H new ATOM 0 HG2 ARG A 24 66.073 17.918 -5.086 1.00 0.34 H new ATOM 0 HG3 ARG A 24 65.627 18.573 -3.522 1.00 0.34 H new ATOM 0 HD2 ARG A 24 63.583 18.467 -4.823 1.00 0.51 H new ATOM 0 HD3 ARG A 24 64.021 20.161 -4.735 1.00 0.51 H new ATOM 0 HE ARG A 24 65.301 19.264 -7.092 1.00 0.97 H new ATOM 0 HH11 ARG A 24 62.087 19.254 -5.708 1.00 1.87 H new ATOM 0 HH12 ARG A 24 61.277 19.325 -7.276 1.00 1.87 H new ATOM 0 HH21 ARG A 24 64.260 19.345 -9.099 1.00 2.24 H new ATOM 0 HH22 ARG A 24 62.496 19.376 -9.178 1.00 2.24 H new ATOM 356 N THR A 25 69.616 20.858 -5.585 1.00 0.32 N ATOM 357 CA THR A 25 70.574 21.968 -5.852 1.00 0.37 C ATOM 358 C THR A 25 69.876 23.318 -5.720 1.00 0.34 C ATOM 359 O THR A 25 70.445 24.271 -5.225 1.00 0.35 O ATOM 360 CB THR A 25 71.136 21.829 -7.270 1.00 0.45 C ATOM 361 OG1 THR A 25 71.806 20.583 -7.393 1.00 1.12 O ATOM 362 CG2 THR A 25 72.111 22.975 -7.545 1.00 1.23 C ATOM 0 H THR A 25 69.488 20.207 -6.360 1.00 0.32 H new ATOM 0 HA THR A 25 71.383 21.913 -5.124 1.00 0.37 H new ATOM 0 HB THR A 25 70.322 21.870 -7.993 1.00 0.45 H new ATOM 0 HG1 THR A 25 72.164 20.493 -8.301 1.00 1.12 H new ATOM 0 HG21 THR A 25 72.512 22.877 -8.554 1.00 1.23 H new ATOM 0 HG22 THR A 25 71.589 23.927 -7.453 1.00 1.23 H new ATOM 0 HG23 THR A 25 72.928 22.938 -6.825 1.00 1.23 H new ATOM 370 N ASN A 26 68.663 23.428 -6.190 1.00 0.32 N ATOM 371 CA ASN A 26 67.958 24.745 -6.115 1.00 0.30 C ATOM 372 C ASN A 26 67.180 24.848 -4.804 1.00 0.27 C ATOM 373 O ASN A 26 66.183 25.535 -4.717 1.00 0.25 O ATOM 374 CB ASN A 26 67.000 24.888 -7.293 1.00 0.31 C ATOM 375 CG ASN A 26 67.806 25.060 -8.579 1.00 1.30 C ATOM 376 OD1 ASN A 26 68.908 25.572 -8.559 1.00 1.98 O ATOM 377 ND2 ASN A 26 67.299 24.650 -9.705 1.00 2.23 N ATOM 0 H ASN A 26 68.131 22.671 -6.620 1.00 0.32 H new ATOM 0 HA ASN A 26 68.698 25.544 -6.154 1.00 0.30 H new ATOM 0 HB2 ASN A 26 66.360 24.008 -7.366 1.00 0.31 H new ATOM 0 HB3 ASN A 26 66.345 25.746 -7.143 1.00 0.31 H new ATOM 0 HD21 ASN A 26 67.827 24.758 -10.571 1.00 2.23 H new ATOM 0 HD22 ASN A 26 66.374 24.220 -9.721 1.00 2.23 H new ATOM 384 N GLY A 27 67.630 24.176 -3.779 1.00 0.27 N ATOM 385 CA GLY A 27 66.918 24.240 -2.474 1.00 0.26 C ATOM 386 C GLY A 27 65.684 23.336 -2.515 1.00 0.23 C ATOM 387 O GLY A 27 65.178 23.013 -3.570 1.00 0.22 O ATOM 0 H GLY A 27 68.461 23.585 -3.791 1.00 0.27 H new ATOM 0 HA2 GLY A 27 67.584 23.927 -1.670 1.00 0.26 H new ATOM 0 HA3 GLY A 27 66.622 25.267 -2.260 1.00 0.26 H new ATOM 391 N GLY A 28 65.242 22.872 -1.371 1.00 0.23 N ATOM 392 CA GLY A 28 64.079 21.922 -1.329 1.00 0.23 C ATOM 393 C GLY A 28 64.621 20.533 -0.968 1.00 0.23 C ATOM 394 O GLY A 28 65.788 20.257 -1.166 1.00 0.24 O ATOM 0 H GLY A 28 65.636 23.109 -0.461 1.00 0.23 H new ATOM 0 HA2 GLY A 28 63.345 22.249 -0.592 1.00 0.23 H new ATOM 0 HA3 GLY A 28 63.572 21.895 -2.294 1.00 0.23 H new ATOM 398 N TYR A 29 63.793 19.645 -0.467 1.00 0.22 N ATOM 399 CA TYR A 29 64.274 18.265 -0.121 1.00 0.21 C ATOM 400 C TYR A 29 63.550 17.246 -1.001 1.00 0.20 C ATOM 401 O TYR A 29 62.388 17.400 -1.320 1.00 0.21 O ATOM 402 CB TYR A 29 63.987 17.960 1.356 1.00 0.24 C ATOM 403 CG TYR A 29 65.011 18.656 2.231 1.00 0.27 C ATOM 404 CD1 TYR A 29 66.318 18.144 2.332 1.00 0.27 C ATOM 405 CD2 TYR A 29 64.655 19.811 2.940 1.00 0.31 C ATOM 406 CE1 TYR A 29 67.258 18.791 3.146 1.00 0.32 C ATOM 407 CE2 TYR A 29 65.599 20.454 3.751 1.00 0.35 C ATOM 408 CZ TYR A 29 66.899 19.945 3.855 1.00 0.36 C ATOM 409 OH TYR A 29 67.827 20.580 4.654 1.00 0.42 O ATOM 0 H TYR A 29 62.804 19.815 -0.282 1.00 0.22 H new ATOM 0 HA TYR A 29 65.349 18.206 -0.292 1.00 0.21 H new ATOM 0 HB2 TYR A 29 62.983 18.295 1.618 1.00 0.24 H new ATOM 0 HB3 TYR A 29 64.019 16.884 1.528 1.00 0.24 H new ATOM 0 HD1 TYR A 29 66.596 17.256 1.784 1.00 0.27 H new ATOM 0 HD2 TYR A 29 63.653 20.206 2.861 1.00 0.31 H new ATOM 0 HE1 TYR A 29 68.261 18.399 3.227 1.00 0.32 H new ATOM 0 HE2 TYR A 29 65.323 21.344 4.297 1.00 0.35 H new ATOM 0 HH TYR A 29 67.415 21.364 5.073 1.00 0.42 H new ATOM 419 N ASN A 30 64.240 16.209 -1.400 1.00 0.19 N ATOM 420 CA ASN A 30 63.620 15.164 -2.281 1.00 0.20 C ATOM 421 C ASN A 30 63.961 13.767 -1.750 1.00 0.19 C ATOM 422 O ASN A 30 65.100 13.482 -1.434 1.00 0.21 O ATOM 423 CB ASN A 30 64.190 15.322 -3.696 1.00 0.23 C ATOM 424 CG ASN A 30 63.677 14.197 -4.600 1.00 0.27 C ATOM 425 OD1 ASN A 30 62.570 13.723 -4.432 1.00 0.42 O ATOM 426 ND2 ASN A 30 64.440 13.752 -5.564 1.00 0.35 N ATOM 0 H ASN A 30 65.215 16.037 -1.153 1.00 0.19 H new ATOM 0 HA ASN A 30 62.537 15.285 -2.293 1.00 0.20 H new ATOM 0 HB2 ASN A 30 63.901 16.289 -4.107 1.00 0.23 H new ATOM 0 HB3 ASN A 30 65.279 15.303 -3.662 1.00 0.23 H new ATOM 0 HD21 ASN A 30 64.107 13.007 -6.176 1.00 0.35 H new ATOM 0 HD22 ASN A 30 65.369 14.150 -5.704 1.00 0.35 H new ATOM 433 N THR A 31 62.982 12.891 -1.658 1.00 0.18 N ATOM 434 CA THR A 31 63.251 11.500 -1.159 1.00 0.17 C ATOM 435 C THR A 31 63.273 10.522 -2.338 1.00 0.15 C ATOM 436 O THR A 31 62.416 10.548 -3.200 1.00 0.17 O ATOM 437 CB THR A 31 62.178 11.075 -0.138 1.00 0.21 C ATOM 438 OG1 THR A 31 62.387 11.744 1.097 1.00 0.28 O ATOM 439 CG2 THR A 31 62.241 9.553 0.074 1.00 0.23 C ATOM 0 H THR A 31 62.011 13.080 -1.907 1.00 0.18 H new ATOM 0 HA THR A 31 64.222 11.487 -0.664 1.00 0.17 H new ATOM 0 HB THR A 31 61.194 11.345 -0.522 1.00 0.21 H new ATOM 0 HG1 THR A 31 61.699 11.469 1.739 1.00 0.28 H new ATOM 0 HG21 THR A 31 61.481 9.255 0.796 1.00 0.23 H new ATOM 0 HG22 THR A 31 62.060 9.046 -0.874 1.00 0.23 H new ATOM 0 HG23 THR A 31 63.227 9.278 0.450 1.00 0.23 H new ATOM 447 N SER A 32 64.251 9.656 -2.377 1.00 0.15 N ATOM 448 CA SER A 32 64.344 8.672 -3.494 1.00 0.16 C ATOM 449 C SER A 32 65.013 7.387 -2.996 1.00 0.16 C ATOM 450 O SER A 32 65.528 7.320 -1.898 1.00 0.17 O ATOM 451 CB SER A 32 65.161 9.272 -4.640 1.00 0.20 C ATOM 452 OG SER A 32 66.481 9.546 -4.186 1.00 0.27 O ATOM 0 H SER A 32 64.992 9.588 -1.680 1.00 0.15 H new ATOM 0 HA SER A 32 63.342 8.437 -3.853 1.00 0.16 H new ATOM 0 HB2 SER A 32 65.190 8.580 -5.482 1.00 0.20 H new ATOM 0 HB3 SER A 32 64.690 10.188 -4.997 1.00 0.20 H new ATOM 0 HG SER A 32 67.049 9.777 -4.951 1.00 0.27 H new ATOM 458 N SER A 33 64.985 6.358 -3.800 1.00 0.16 N ATOM 459 CA SER A 33 65.587 5.050 -3.394 1.00 0.16 C ATOM 460 C SER A 33 66.329 4.410 -4.570 1.00 0.14 C ATOM 461 O SER A 33 65.974 4.580 -5.719 1.00 0.15 O ATOM 462 CB SER A 33 64.471 4.110 -2.930 1.00 0.18 C ATOM 463 OG SER A 33 64.030 4.511 -1.639 1.00 0.24 O ATOM 0 H SER A 33 64.567 6.366 -4.730 1.00 0.16 H new ATOM 0 HA SER A 33 66.297 5.223 -2.585 1.00 0.16 H new ATOM 0 HB2 SER A 33 63.641 4.136 -3.636 1.00 0.18 H new ATOM 0 HB3 SER A 33 64.833 3.082 -2.901 1.00 0.18 H new ATOM 0 HG SER A 33 64.485 5.340 -1.381 1.00 0.24 H new ATOM 469 N ILE A 34 67.354 3.655 -4.273 1.00 0.14 N ATOM 470 CA ILE A 34 68.142 2.970 -5.341 1.00 0.14 C ATOM 471 C ILE A 34 68.574 1.598 -4.819 1.00 0.13 C ATOM 472 O ILE A 34 68.962 1.456 -3.678 1.00 0.16 O ATOM 473 CB ILE A 34 69.381 3.812 -5.673 1.00 0.17 C ATOM 474 CG1 ILE A 34 70.103 3.217 -6.887 1.00 0.21 C ATOM 475 CG2 ILE A 34 70.334 3.831 -4.472 1.00 0.17 C ATOM 476 CD1 ILE A 34 71.176 4.193 -7.372 1.00 0.28 C ATOM 0 H ILE A 34 67.683 3.482 -3.323 1.00 0.14 H new ATOM 0 HA ILE A 34 67.539 2.851 -6.241 1.00 0.14 H new ATOM 0 HB ILE A 34 69.067 4.830 -5.902 1.00 0.17 H new ATOM 0 HG12 ILE A 34 70.558 2.263 -6.621 1.00 0.21 H new ATOM 0 HG13 ILE A 34 69.389 3.018 -7.686 1.00 0.21 H new ATOM 0 HG21 ILE A 34 71.212 4.430 -4.714 1.00 0.17 H new ATOM 0 HG22 ILE A 34 69.825 4.264 -3.611 1.00 0.17 H new ATOM 0 HG23 ILE A 34 70.643 2.813 -4.237 1.00 0.17 H new ATOM 0 HD11 ILE A 34 71.689 3.770 -8.235 1.00 0.28 H new ATOM 0 HD12 ILE A 34 70.709 5.136 -7.654 1.00 0.28 H new ATOM 0 HD13 ILE A 34 71.896 4.369 -6.573 1.00 0.28 H new ATOM 488 N ASP A 35 68.507 0.584 -5.635 1.00 0.14 N ATOM 489 CA ASP A 35 68.908 -0.773 -5.165 1.00 0.14 C ATOM 490 C ASP A 35 70.435 -0.897 -5.198 1.00 0.13 C ATOM 491 O ASP A 35 71.052 -0.821 -6.241 1.00 0.14 O ATOM 492 CB ASP A 35 68.292 -1.842 -6.077 1.00 0.15 C ATOM 493 CG ASP A 35 68.436 -3.214 -5.411 1.00 0.16 C ATOM 494 OD1 ASP A 35 69.139 -3.298 -4.417 1.00 0.18 O ATOM 495 OD2 ASP A 35 67.848 -4.159 -5.911 1.00 0.20 O ATOM 0 H ASP A 35 68.193 0.634 -6.604 1.00 0.14 H new ATOM 0 HA ASP A 35 68.551 -0.918 -4.145 1.00 0.14 H new ATOM 0 HB2 ASP A 35 67.240 -1.621 -6.258 1.00 0.15 H new ATOM 0 HB3 ASP A 35 68.790 -1.841 -7.047 1.00 0.15 H new ATOM 500 N LEU A 36 71.043 -1.119 -4.065 1.00 0.13 N ATOM 501 CA LEU A 36 72.524 -1.281 -4.023 1.00 0.14 C ATOM 502 C LEU A 36 72.873 -2.690 -4.492 1.00 0.13 C ATOM 503 O LEU A 36 74.027 -3.054 -4.601 1.00 0.13 O ATOM 504 CB LEU A 36 73.029 -1.116 -2.588 1.00 0.16 C ATOM 505 CG LEU A 36 72.737 0.295 -2.070 1.00 0.17 C ATOM 506 CD1 LEU A 36 73.060 0.355 -0.571 1.00 0.22 C ATOM 507 CD2 LEU A 36 73.600 1.325 -2.821 1.00 0.24 C ATOM 0 H LEU A 36 70.575 -1.196 -3.162 1.00 0.13 H new ATOM 0 HA LEU A 36 72.986 -0.529 -4.663 1.00 0.14 H new ATOM 0 HB2 LEU A 36 72.551 -1.852 -1.942 1.00 0.16 H new ATOM 0 HB3 LEU A 36 74.101 -1.308 -2.550 1.00 0.16 H new ATOM 0 HG LEU A 36 71.685 0.528 -2.235 1.00 0.17 H new ATOM 0 HD11 LEU A 36 72.855 1.357 -0.194 1.00 0.22 H new ATOM 0 HD12 LEU A 36 72.443 -0.367 -0.037 1.00 0.22 H new ATOM 0 HD13 LEU A 36 74.112 0.118 -0.416 1.00 0.22 H new ATOM 0 HD21 LEU A 36 73.384 2.325 -2.444 1.00 0.24 H new ATOM 0 HD22 LEU A 36 74.655 1.099 -2.665 1.00 0.24 H new ATOM 0 HD23 LEU A 36 73.373 1.282 -3.886 1.00 0.24 H new ATOM 519 N ASN A 37 71.888 -3.497 -4.744 1.00 0.13 N ATOM 520 CA ASN A 37 72.163 -4.896 -5.164 1.00 0.12 C ATOM 521 C ASN A 37 72.997 -4.904 -6.452 1.00 0.11 C ATOM 522 O ASN A 37 73.880 -5.722 -6.624 1.00 0.11 O ATOM 523 CB ASN A 37 70.829 -5.612 -5.401 1.00 0.14 C ATOM 524 CG ASN A 37 71.086 -7.058 -5.807 1.00 0.15 C ATOM 525 OD1 ASN A 37 71.656 -7.319 -6.849 1.00 0.24 O ATOM 526 ND2 ASN A 37 70.681 -8.018 -5.024 1.00 0.22 N ATOM 0 H ASN A 37 70.901 -3.249 -4.678 1.00 0.13 H new ATOM 0 HA ASN A 37 72.724 -5.410 -4.384 1.00 0.12 H new ATOM 0 HB2 ASN A 37 70.223 -5.581 -4.496 1.00 0.14 H new ATOM 0 HB3 ASN A 37 70.264 -5.100 -6.180 1.00 0.14 H new ATOM 0 HD21 ASN A 37 70.842 -8.991 -5.285 1.00 0.22 H new ATOM 0 HD22 ASN A 37 70.203 -7.796 -4.151 1.00 0.22 H new ATOM 533 N SER A 38 72.712 -4.023 -7.367 1.00 0.12 N ATOM 534 CA SER A 38 73.466 -3.998 -8.653 1.00 0.12 C ATOM 535 C SER A 38 74.897 -3.462 -8.474 1.00 0.12 C ATOM 536 O SER A 38 75.604 -3.291 -9.447 1.00 0.13 O ATOM 537 CB SER A 38 72.721 -3.102 -9.642 1.00 0.12 C ATOM 538 OG SER A 38 72.826 -1.749 -9.220 1.00 1.29 O ATOM 0 H SER A 38 71.984 -3.313 -7.280 1.00 0.12 H new ATOM 0 HA SER A 38 73.536 -5.021 -9.023 1.00 0.12 H new ATOM 0 HB2 SER A 38 73.140 -3.217 -10.642 1.00 0.12 H new ATOM 0 HB3 SER A 38 71.673 -3.397 -9.700 1.00 0.12 H new ATOM 0 HG SER A 38 72.351 -1.171 -9.853 1.00 1.29 H new ATOM 544 N VAL A 39 75.330 -3.148 -7.270 1.00 0.12 N ATOM 545 CA VAL A 39 76.720 -2.593 -7.108 1.00 0.13 C ATOM 546 C VAL A 39 77.488 -3.263 -5.946 1.00 0.14 C ATOM 547 O VAL A 39 78.664 -3.020 -5.780 1.00 0.16 O ATOM 548 CB VAL A 39 76.628 -1.072 -6.873 1.00 0.14 C ATOM 549 CG1 VAL A 39 76.414 -0.356 -8.212 1.00 0.15 C ATOM 550 CG2 VAL A 39 75.447 -0.760 -5.949 1.00 0.17 C ATOM 0 H VAL A 39 74.794 -3.249 -6.408 1.00 0.12 H new ATOM 0 HA VAL A 39 77.277 -2.804 -8.021 1.00 0.13 H new ATOM 0 HB VAL A 39 77.554 -0.728 -6.413 1.00 0.14 H new ATOM 0 HG11 VAL A 39 76.349 0.719 -8.044 1.00 0.15 H new ATOM 0 HG12 VAL A 39 77.251 -0.569 -8.877 1.00 0.15 H new ATOM 0 HG13 VAL A 39 75.489 -0.708 -8.669 1.00 0.15 H new ATOM 0 HG21 VAL A 39 75.387 0.316 -5.786 1.00 0.17 H new ATOM 0 HG22 VAL A 39 74.523 -1.110 -6.409 1.00 0.17 H new ATOM 0 HG23 VAL A 39 75.590 -1.264 -4.993 1.00 0.17 H new ATOM 560 N ILE A 40 76.857 -4.103 -5.154 1.00 0.14 N ATOM 561 CA ILE A 40 77.593 -4.773 -4.010 1.00 0.15 C ATOM 562 C ILE A 40 77.761 -6.285 -4.258 1.00 0.13 C ATOM 563 O ILE A 40 76.826 -6.981 -4.599 1.00 0.13 O ATOM 564 CB ILE A 40 76.826 -4.578 -2.693 1.00 0.17 C ATOM 565 CG1 ILE A 40 76.685 -3.087 -2.379 1.00 0.24 C ATOM 566 CG2 ILE A 40 77.608 -5.243 -1.558 1.00 0.17 C ATOM 567 CD1 ILE A 40 75.712 -2.922 -1.210 1.00 0.27 C ATOM 0 H ILE A 40 75.873 -4.357 -5.243 1.00 0.14 H new ATOM 0 HA ILE A 40 78.577 -4.310 -3.945 1.00 0.15 H new ATOM 0 HB ILE A 40 75.836 -5.023 -2.790 1.00 0.17 H new ATOM 0 HG12 ILE A 40 77.656 -2.661 -2.126 1.00 0.24 H new ATOM 0 HG13 ILE A 40 76.319 -2.549 -3.254 1.00 0.24 H new ATOM 0 HG21 ILE A 40 77.071 -5.109 -0.619 1.00 0.17 H new ATOM 0 HG22 ILE A 40 77.716 -6.307 -1.766 1.00 0.17 H new ATOM 0 HG23 ILE A 40 78.595 -4.786 -1.480 1.00 0.17 H new ATOM 0 HD11 ILE A 40 75.602 -1.863 -0.975 1.00 0.27 H new ATOM 0 HD12 ILE A 40 74.741 -3.336 -1.483 1.00 0.27 H new ATOM 0 HD13 ILE A 40 76.099 -3.449 -0.338 1.00 0.27 H new ATOM 579 N GLU A 41 78.967 -6.792 -4.060 1.00 0.14 N ATOM 580 CA GLU A 41 79.250 -8.263 -4.242 1.00 0.13 C ATOM 581 C GLU A 41 79.838 -8.819 -2.943 1.00 0.12 C ATOM 582 O GLU A 41 80.494 -8.114 -2.210 1.00 0.12 O ATOM 583 CB GLU A 41 80.288 -8.460 -5.355 1.00 0.16 C ATOM 584 CG GLU A 41 80.640 -9.944 -5.484 1.00 0.19 C ATOM 585 CD GLU A 41 81.473 -10.157 -6.745 1.00 0.24 C ATOM 586 OE1 GLU A 41 81.728 -9.183 -7.432 1.00 0.33 O ATOM 587 OE2 GLU A 41 81.841 -11.290 -7.005 1.00 0.30 O ATOM 0 H GLU A 41 79.776 -6.240 -3.776 1.00 0.14 H new ATOM 0 HA GLU A 41 78.324 -8.776 -4.501 1.00 0.13 H new ATOM 0 HB2 GLU A 41 79.895 -8.087 -6.301 1.00 0.16 H new ATOM 0 HB3 GLU A 41 81.186 -7.883 -5.133 1.00 0.16 H new ATOM 0 HG2 GLU A 41 81.196 -10.275 -4.607 1.00 0.19 H new ATOM 0 HG3 GLU A 41 79.730 -10.543 -5.530 1.00 0.19 H new ATOM 594 N ASN A 42 79.645 -10.091 -2.669 1.00 0.12 N ATOM 595 CA ASN A 42 80.219 -10.720 -1.439 1.00 0.12 C ATOM 596 C ASN A 42 81.482 -11.491 -1.835 1.00 0.12 C ATOM 597 O ASN A 42 81.419 -12.411 -2.625 1.00 0.12 O ATOM 598 CB ASN A 42 79.193 -11.696 -0.853 1.00 0.14 C ATOM 599 CG ASN A 42 79.791 -12.412 0.362 1.00 0.14 C ATOM 600 OD1 ASN A 42 80.872 -12.082 0.808 1.00 0.19 O ATOM 601 ND2 ASN A 42 79.127 -13.390 0.919 1.00 0.27 N ATOM 0 H ASN A 42 79.105 -10.726 -3.257 1.00 0.12 H new ATOM 0 HA ASN A 42 80.461 -9.957 -0.699 1.00 0.12 H new ATOM 0 HB2 ASN A 42 78.291 -11.158 -0.562 1.00 0.14 H new ATOM 0 HB3 ASN A 42 78.899 -12.425 -1.608 1.00 0.14 H new ATOM 0 HD21 ASN A 42 79.516 -13.875 1.727 1.00 0.27 H new ATOM 0 HD22 ASN A 42 78.219 -13.668 0.546 1.00 0.27 H new ATOM 608 N VAL A 43 82.628 -11.135 -1.293 1.00 0.12 N ATOM 609 CA VAL A 43 83.895 -11.864 -1.650 1.00 0.14 C ATOM 610 C VAL A 43 84.468 -12.577 -0.422 1.00 0.13 C ATOM 611 O VAL A 43 85.077 -11.988 0.448 1.00 0.13 O ATOM 612 CB VAL A 43 84.929 -10.871 -2.193 1.00 0.16 C ATOM 613 CG1 VAL A 43 86.248 -11.611 -2.458 1.00 0.21 C ATOM 614 CG2 VAL A 43 84.411 -10.252 -3.505 1.00 0.22 C ATOM 0 H VAL A 43 82.741 -10.375 -0.622 1.00 0.12 H new ATOM 0 HA VAL A 43 83.665 -12.607 -2.414 1.00 0.14 H new ATOM 0 HB VAL A 43 85.094 -10.078 -1.463 1.00 0.16 H new ATOM 0 HG11 VAL A 43 86.987 -10.910 -2.844 1.00 0.21 H new ATOM 0 HG12 VAL A 43 86.613 -12.048 -1.529 1.00 0.21 H new ATOM 0 HG13 VAL A 43 86.081 -12.402 -3.189 1.00 0.21 H new ATOM 0 HG21 VAL A 43 85.147 -9.546 -3.890 1.00 0.22 H new ATOM 0 HG22 VAL A 43 84.246 -11.041 -4.239 1.00 0.22 H new ATOM 0 HG23 VAL A 43 83.473 -9.730 -3.316 1.00 0.22 H new ATOM 624 N ASP A 44 84.290 -13.863 -0.394 1.00 0.13 N ATOM 625 CA ASP A 44 84.818 -14.721 0.701 1.00 0.14 C ATOM 626 C ASP A 44 84.627 -14.096 2.091 1.00 0.13 C ATOM 627 O ASP A 44 85.488 -14.225 2.938 1.00 0.14 O ATOM 628 CB ASP A 44 86.303 -14.986 0.452 1.00 0.16 C ATOM 629 CG ASP A 44 86.784 -16.122 1.358 1.00 0.17 C ATOM 630 OD1 ASP A 44 86.069 -16.455 2.290 1.00 0.16 O ATOM 631 OD2 ASP A 44 87.860 -16.638 1.102 1.00 0.23 O ATOM 0 H ASP A 44 83.780 -14.376 -1.113 1.00 0.13 H new ATOM 0 HA ASP A 44 84.252 -15.653 0.694 1.00 0.14 H new ATOM 0 HB2 ASP A 44 86.465 -15.248 -0.593 1.00 0.16 H new ATOM 0 HB3 ASP A 44 86.881 -14.083 0.647 1.00 0.16 H new ATOM 636 N GLY A 45 83.498 -13.467 2.360 1.00 0.14 N ATOM 637 CA GLY A 45 83.266 -12.896 3.736 1.00 0.16 C ATOM 638 C GLY A 45 83.041 -11.376 3.739 1.00 0.14 C ATOM 639 O GLY A 45 82.461 -10.863 4.675 1.00 0.13 O ATOM 0 H GLY A 45 82.737 -13.326 1.696 1.00 0.14 H new ATOM 0 HA2 GLY A 45 82.400 -13.384 4.182 1.00 0.16 H new ATOM 0 HA3 GLY A 45 84.124 -13.130 4.367 1.00 0.16 H new ATOM 643 N SER A 46 83.522 -10.631 2.766 1.00 0.14 N ATOM 644 CA SER A 46 83.360 -9.132 2.809 1.00 0.14 C ATOM 645 C SER A 46 82.601 -8.591 1.599 1.00 0.13 C ATOM 646 O SER A 46 82.791 -9.017 0.478 1.00 0.15 O ATOM 647 CB SER A 46 84.746 -8.489 2.835 1.00 0.16 C ATOM 648 OG SER A 46 84.600 -7.078 2.932 1.00 1.34 O ATOM 0 H SER A 46 84.016 -10.990 1.949 1.00 0.14 H new ATOM 0 HA SER A 46 82.785 -8.889 3.702 1.00 0.14 H new ATOM 0 HB2 SER A 46 85.321 -8.867 3.681 1.00 0.16 H new ATOM 0 HB3 SER A 46 85.299 -8.749 1.932 1.00 0.16 H new ATOM 0 HG SER A 46 85.485 -6.658 2.951 1.00 1.34 H new ATOM 654 N LEU A 47 81.770 -7.609 1.829 1.00 0.12 N ATOM 655 CA LEU A 47 81.012 -6.970 0.722 1.00 0.12 C ATOM 656 C LEU A 47 81.928 -5.988 -0.017 1.00 0.13 C ATOM 657 O LEU A 47 82.580 -5.159 0.589 1.00 0.15 O ATOM 658 CB LEU A 47 79.813 -6.202 1.295 1.00 0.14 C ATOM 659 CG LEU A 47 78.895 -7.154 2.069 1.00 0.15 C ATOM 660 CD1 LEU A 47 77.709 -6.357 2.618 1.00 0.25 C ATOM 661 CD2 LEU A 47 78.385 -8.268 1.141 1.00 0.25 C ATOM 0 H LEU A 47 81.584 -7.219 2.753 1.00 0.12 H new ATOM 0 HA LEU A 47 80.659 -7.739 0.034 1.00 0.12 H new ATOM 0 HB2 LEU A 47 80.162 -5.407 1.953 1.00 0.14 H new ATOM 0 HB3 LEU A 47 79.257 -5.726 0.487 1.00 0.14 H new ATOM 0 HG LEU A 47 79.450 -7.610 2.889 1.00 0.15 H new ATOM 0 HD11 LEU A 47 77.048 -7.024 3.171 1.00 0.25 H new ATOM 0 HD12 LEU A 47 78.073 -5.574 3.283 1.00 0.25 H new ATOM 0 HD13 LEU A 47 77.160 -5.905 1.792 1.00 0.25 H new ATOM 0 HD21 LEU A 47 77.734 -8.939 1.701 1.00 0.25 H new ATOM 0 HD22 LEU A 47 77.827 -7.827 0.315 1.00 0.25 H new ATOM 0 HD23 LEU A 47 79.232 -8.830 0.747 1.00 0.25 H new ATOM 673 N LYS A 48 81.966 -6.072 -1.332 1.00 0.13 N ATOM 674 CA LYS A 48 82.823 -5.142 -2.146 1.00 0.16 C ATOM 675 C LYS A 48 81.948 -4.412 -3.171 1.00 0.15 C ATOM 676 O LYS A 48 80.804 -4.755 -3.381 1.00 0.14 O ATOM 677 CB LYS A 48 83.935 -5.914 -2.870 1.00 0.21 C ATOM 678 CG LYS A 48 84.993 -6.362 -1.854 1.00 0.28 C ATOM 679 CD LYS A 48 86.162 -7.031 -2.583 1.00 0.87 C ATOM 680 CE LYS A 48 87.222 -7.463 -1.565 1.00 1.19 C ATOM 681 NZ LYS A 48 88.360 -8.115 -2.275 1.00 1.84 N ATOM 0 H LYS A 48 81.436 -6.750 -1.879 1.00 0.13 H new ATOM 0 HA LYS A 48 83.289 -4.420 -1.475 1.00 0.16 H new ATOM 0 HB2 LYS A 48 83.517 -6.781 -3.381 1.00 0.21 H new ATOM 0 HB3 LYS A 48 84.392 -5.284 -3.633 1.00 0.21 H new ATOM 0 HG2 LYS A 48 85.351 -5.504 -1.285 1.00 0.28 H new ATOM 0 HG3 LYS A 48 84.553 -7.057 -1.139 1.00 0.28 H new ATOM 0 HD2 LYS A 48 85.807 -7.896 -3.143 1.00 0.87 H new ATOM 0 HD3 LYS A 48 86.597 -6.340 -3.305 1.00 0.87 H new ATOM 0 HE2 LYS A 48 87.577 -6.598 -1.005 1.00 1.19 H new ATOM 0 HE3 LYS A 48 86.787 -8.154 -0.843 1.00 1.19 H new ATOM 0 HZ1 LYS A 48 89.079 -8.408 -1.583 1.00 1.84 H new ATOM 0 HZ2 LYS A 48 88.015 -8.950 -2.790 1.00 1.84 H new ATOM 0 HZ3 LYS A 48 88.781 -7.442 -2.948 1.00 1.84 H new ATOM 695 N TRP A 49 82.478 -3.398 -3.794 1.00 0.14 N ATOM 696 CA TRP A 49 81.679 -2.610 -4.788 1.00 0.13 C ATOM 697 C TRP A 49 81.604 -3.309 -6.158 1.00 0.13 C ATOM 698 O TRP A 49 82.390 -3.021 -7.038 1.00 0.13 O ATOM 699 CB TRP A 49 82.349 -1.239 -4.980 1.00 0.13 C ATOM 700 CG TRP A 49 82.036 -0.369 -3.812 1.00 0.13 C ATOM 701 CD1 TRP A 49 82.911 -0.005 -2.846 1.00 0.14 C ATOM 702 CD2 TRP A 49 80.764 0.240 -3.467 1.00 0.15 C ATOM 703 NE1 TRP A 49 82.253 0.796 -1.930 1.00 0.14 N ATOM 704 CE2 TRP A 49 80.926 0.979 -2.275 1.00 0.15 C ATOM 705 CE3 TRP A 49 79.495 0.225 -4.076 1.00 0.18 C ATOM 706 CZ2 TRP A 49 79.868 1.681 -1.708 1.00 0.17 C ATOM 707 CZ3 TRP A 49 78.424 0.929 -3.503 1.00 0.21 C ATOM 708 CH2 TRP A 49 78.612 1.661 -2.323 1.00 0.20 C ATOM 0 H TRP A 49 83.436 -3.075 -3.660 1.00 0.14 H new ATOM 0 HA TRP A 49 80.665 -2.513 -4.401 1.00 0.13 H new ATOM 0 HB2 TRP A 49 83.428 -1.360 -5.079 1.00 0.13 H new ATOM 0 HB3 TRP A 49 81.994 -0.774 -5.900 1.00 0.13 H new ATOM 0 HD1 TRP A 49 83.951 -0.292 -2.798 1.00 0.14 H new ATOM 0 HE1 TRP A 49 82.692 1.201 -1.103 1.00 0.14 H new ATOM 0 HE3 TRP A 49 79.344 -0.331 -4.989 1.00 0.18 H new ATOM 0 HZ2 TRP A 49 80.016 2.240 -0.796 1.00 0.17 H new ATOM 0 HZ3 TRP A 49 77.452 0.906 -3.973 1.00 0.21 H new ATOM 0 HH2 TRP A 49 77.788 2.209 -1.889 1.00 0.20 H new ATOM 719 N GLN A 50 80.671 -4.206 -6.364 1.00 0.12 N ATOM 720 CA GLN A 50 80.578 -4.877 -7.700 1.00 0.13 C ATOM 721 C GLN A 50 79.223 -5.626 -7.788 1.00 0.12 C ATOM 722 O GLN A 50 78.789 -6.206 -6.817 1.00 0.13 O ATOM 723 CB GLN A 50 81.750 -5.870 -7.821 1.00 0.16 C ATOM 724 CG GLN A 50 82.052 -6.192 -9.287 1.00 0.26 C ATOM 725 CD GLN A 50 83.381 -6.942 -9.373 1.00 1.10 C ATOM 726 OE1 GLN A 50 84.292 -6.509 -10.050 1.00 1.88 O ATOM 727 NE2 GLN A 50 83.534 -8.057 -8.714 1.00 1.92 N ATOM 0 H GLN A 50 79.978 -4.500 -5.676 1.00 0.12 H new ATOM 0 HA GLN A 50 80.633 -4.150 -8.510 1.00 0.13 H new ATOM 0 HB2 GLN A 50 82.637 -5.449 -7.348 1.00 0.16 H new ATOM 0 HB3 GLN A 50 81.509 -6.789 -7.286 1.00 0.16 H new ATOM 0 HG2 GLN A 50 81.251 -6.797 -9.711 1.00 0.26 H new ATOM 0 HG3 GLN A 50 82.101 -5.273 -9.871 1.00 0.26 H new ATOM 0 HE21 GLN A 50 82.770 -8.422 -8.145 1.00 1.92 H new ATOM 0 HE22 GLN A 50 84.417 -8.564 -8.768 1.00 1.92 H new ATOM 736 N PRO A 51 78.538 -5.620 -8.922 1.00 0.11 N ATOM 737 CA PRO A 51 77.222 -6.339 -9.052 1.00 0.11 C ATOM 738 C PRO A 51 77.360 -7.854 -8.817 1.00 0.12 C ATOM 739 O PRO A 51 78.352 -8.452 -9.180 1.00 0.14 O ATOM 740 CB PRO A 51 76.771 -6.054 -10.504 1.00 0.13 C ATOM 741 CG PRO A 51 78.004 -5.604 -11.228 1.00 0.15 C ATOM 742 CD PRO A 51 78.902 -4.938 -10.184 1.00 0.14 C ATOM 0 HA PRO A 51 76.505 -5.995 -8.306 1.00 0.11 H new ATOM 0 HB2 PRO A 51 76.349 -6.947 -10.966 1.00 0.13 H new ATOM 0 HB3 PRO A 51 75.998 -5.286 -10.531 1.00 0.13 H new ATOM 0 HG2 PRO A 51 78.511 -6.449 -11.693 1.00 0.15 H new ATOM 0 HG3 PRO A 51 77.752 -4.905 -12.026 1.00 0.15 H new ATOM 0 HD2 PRO A 51 79.958 -5.071 -10.421 1.00 0.14 H new ATOM 0 HD3 PRO A 51 78.721 -3.865 -10.126 1.00 0.14 H new ATOM 750 N SER A 52 76.366 -8.477 -8.220 1.00 0.11 N ATOM 751 CA SER A 52 76.449 -9.954 -7.975 1.00 0.12 C ATOM 752 C SER A 52 75.309 -10.419 -7.057 1.00 0.15 C ATOM 753 O SER A 52 75.290 -11.552 -6.621 1.00 0.32 O ATOM 754 CB SER A 52 77.784 -10.282 -7.307 1.00 0.12 C ATOM 755 OG SER A 52 77.637 -11.425 -6.471 1.00 0.29 O ATOM 0 H SER A 52 75.509 -8.030 -7.895 1.00 0.11 H new ATOM 0 HA SER A 52 76.366 -10.468 -8.933 1.00 0.12 H new ATOM 0 HB2 SER A 52 78.544 -10.470 -8.065 1.00 0.12 H new ATOM 0 HB3 SER A 52 78.125 -9.431 -6.718 1.00 0.12 H new ATOM 0 HG SER A 52 76.939 -12.009 -6.835 1.00 0.29 H new ATOM 761 N ASN A 53 74.362 -9.571 -6.760 1.00 0.16 N ATOM 762 CA ASN A 53 73.237 -9.995 -5.875 1.00 0.16 C ATOM 763 C ASN A 53 73.775 -10.473 -4.521 1.00 0.10 C ATOM 764 O ASN A 53 73.594 -11.609 -4.137 1.00 0.12 O ATOM 765 CB ASN A 53 72.441 -11.120 -6.547 1.00 0.23 C ATOM 766 CG ASN A 53 71.154 -11.369 -5.761 1.00 0.28 C ATOM 767 OD1 ASN A 53 70.888 -10.703 -4.781 1.00 0.27 O ATOM 768 ND2 ASN A 53 70.340 -12.311 -6.150 1.00 0.48 N ATOM 0 H ASN A 53 74.317 -8.607 -7.090 1.00 0.16 H new ATOM 0 HA ASN A 53 72.580 -9.141 -5.709 1.00 0.16 H new ATOM 0 HB2 ASN A 53 72.205 -10.849 -7.576 1.00 0.23 H new ATOM 0 HB3 ASN A 53 73.039 -12.031 -6.586 1.00 0.23 H new ATOM 0 HD21 ASN A 53 69.480 -12.488 -5.631 1.00 0.48 H new ATOM 0 HD22 ASN A 53 70.563 -12.870 -6.973 1.00 0.48 H new ATOM 775 N PHE A 54 74.446 -9.613 -3.801 1.00 0.09 N ATOM 776 CA PHE A 54 75.014 -10.019 -2.477 1.00 0.09 C ATOM 777 C PHE A 54 73.900 -10.475 -1.520 1.00 0.09 C ATOM 778 O PHE A 54 73.997 -11.505 -0.879 1.00 0.14 O ATOM 779 CB PHE A 54 75.778 -8.831 -1.857 1.00 0.11 C ATOM 780 CG PHE A 54 74.824 -7.852 -1.192 1.00 0.10 C ATOM 781 CD1 PHE A 54 74.181 -6.861 -1.948 1.00 0.12 C ATOM 782 CD2 PHE A 54 74.595 -7.936 0.190 1.00 0.11 C ATOM 783 CE1 PHE A 54 73.309 -5.954 -1.321 1.00 0.13 C ATOM 784 CE2 PHE A 54 73.724 -7.032 0.815 1.00 0.12 C ATOM 785 CZ PHE A 54 73.082 -6.040 0.061 1.00 0.12 C ATOM 0 H PHE A 54 74.627 -8.646 -4.071 1.00 0.09 H new ATOM 0 HA PHE A 54 75.697 -10.854 -2.634 1.00 0.09 H new ATOM 0 HB2 PHE A 54 76.495 -9.199 -1.124 1.00 0.11 H new ATOM 0 HB3 PHE A 54 76.349 -8.318 -2.631 1.00 0.11 H new ATOM 0 HD1 PHE A 54 74.356 -6.795 -3.012 1.00 0.12 H new ATOM 0 HD2 PHE A 54 75.090 -8.698 0.773 1.00 0.11 H new ATOM 0 HE1 PHE A 54 72.814 -5.191 -1.903 1.00 0.13 H new ATOM 0 HE2 PHE A 54 73.548 -7.100 1.878 1.00 0.12 H new ATOM 0 HZ PHE A 54 72.413 -5.342 0.543 1.00 0.12 H new ATOM 795 N ILE A 55 72.856 -9.703 -1.403 1.00 11.77 N ATOM 796 CA ILE A 55 71.751 -10.073 -0.476 1.00 13.68 C ATOM 797 C ILE A 55 71.381 -11.551 -0.658 1.00 0.11 C ATOM 798 O ILE A 55 70.768 -12.159 0.196 1.00 0.12 O ATOM 799 CB ILE A 55 70.556 -9.140 -0.733 1.00 15.58 C ATOM 800 CG1 ILE A 55 69.319 -9.601 0.049 1.00 16.46 C ATOM 801 CG2 ILE A 55 70.226 -9.069 -2.222 1.00 20.33 C ATOM 802 CD1 ILE A 55 69.630 -9.637 1.549 1.00 19.63 C ATOM 0 H ILE A 55 72.720 -8.829 -1.911 1.00 11.77 H new ATOM 0 HA ILE A 55 72.066 -9.950 0.560 1.00 13.68 H new ATOM 0 HB ILE A 55 70.839 -8.146 -0.388 1.00 15.58 H new ATOM 0 HG12 ILE A 55 68.485 -8.925 -0.142 1.00 16.46 H new ATOM 0 HG13 ILE A 55 69.012 -10.590 -0.291 1.00 16.46 H new ATOM 0 HG21 ILE A 55 69.377 -8.402 -2.375 1.00 20.33 H new ATOM 0 HG22 ILE A 55 71.089 -8.689 -2.768 1.00 20.33 H new ATOM 0 HG23 ILE A 55 69.976 -10.065 -2.587 1.00 20.33 H new ATOM 0 HD11 ILE A 55 68.746 -9.965 2.096 1.00 19.63 H new ATOM 0 HD12 ILE A 55 70.450 -10.331 1.734 1.00 19.63 H new ATOM 0 HD13 ILE A 55 69.915 -8.640 1.885 1.00 19.63 H new ATOM 814 N GLU A 56 71.774 -12.136 -1.753 1.00 0.13 N ATOM 815 CA GLU A 56 71.473 -13.581 -1.971 1.00 0.15 C ATOM 816 C GLU A 56 72.206 -14.398 -0.904 1.00 0.13 C ATOM 817 O GLU A 56 71.726 -15.428 -0.471 1.00 0.14 O ATOM 818 CB GLU A 56 71.961 -14.006 -3.360 1.00 0.19 C ATOM 819 CG GLU A 56 71.558 -15.460 -3.636 1.00 0.23 C ATOM 820 CD GLU A 56 70.033 -15.571 -3.709 1.00 1.10 C ATOM 821 OE1 GLU A 56 69.396 -14.560 -3.954 1.00 1.62 O ATOM 822 OE2 GLU A 56 69.529 -16.666 -3.518 1.00 1.40 O ATOM 0 H GLU A 56 72.289 -11.680 -2.506 1.00 0.13 H new ATOM 0 HA GLU A 56 70.398 -13.750 -1.903 1.00 0.15 H new ATOM 0 HB2 GLU A 56 71.535 -13.351 -4.120 1.00 0.19 H new ATOM 0 HB3 GLU A 56 73.044 -13.902 -3.421 1.00 0.19 H new ATOM 0 HG2 GLU A 56 72.002 -15.798 -4.572 1.00 0.23 H new ATOM 0 HG3 GLU A 56 71.942 -16.109 -2.849 1.00 0.23 H new ATOM 829 N THR A 57 73.373 -13.958 -0.502 1.00 0.12 N ATOM 830 CA THR A 57 74.159 -14.730 0.527 1.00 0.11 C ATOM 831 C THR A 57 74.383 -13.888 1.785 1.00 0.11 C ATOM 832 O THR A 57 75.245 -14.193 2.585 1.00 0.11 O ATOM 833 CB THR A 57 75.512 -15.139 -0.059 1.00 0.13 C ATOM 834 OG1 THR A 57 76.234 -13.974 -0.433 1.00 0.14 O ATOM 835 CG2 THR A 57 75.291 -16.025 -1.286 1.00 0.18 C ATOM 0 H THR A 57 73.818 -13.103 -0.836 1.00 0.12 H new ATOM 0 HA THR A 57 73.590 -15.619 0.799 1.00 0.11 H new ATOM 0 HB THR A 57 76.081 -15.694 0.687 1.00 0.13 H new ATOM 0 HG1 THR A 57 77.017 -14.231 -0.963 1.00 0.14 H new ATOM 0 HG21 THR A 57 76.255 -16.316 -1.703 1.00 0.18 H new ATOM 0 HG22 THR A 57 74.737 -16.918 -0.995 1.00 0.18 H new ATOM 0 HG23 THR A 57 74.723 -15.474 -2.035 1.00 0.18 H new ATOM 843 N CYS A 58 73.616 -12.844 1.982 1.00 0.10 N ATOM 844 CA CYS A 58 73.786 -11.998 3.208 1.00 0.11 C ATOM 845 C CYS A 58 72.422 -11.752 3.850 1.00 0.10 C ATOM 846 O CYS A 58 71.399 -11.829 3.204 1.00 0.10 O ATOM 847 CB CYS A 58 74.435 -10.665 2.834 1.00 0.11 C ATOM 848 SG CYS A 58 76.072 -10.977 2.127 1.00 0.12 S ATOM 0 H CYS A 58 72.878 -12.539 1.347 1.00 0.10 H new ATOM 0 HA CYS A 58 74.430 -12.516 3.918 1.00 0.11 H new ATOM 0 HB2 CYS A 58 73.811 -10.132 2.116 1.00 0.11 H new ATOM 0 HB3 CYS A 58 74.521 -10.029 3.715 1.00 0.11 H new ATOM 853 N ARG A 59 72.401 -11.509 5.132 1.00 0.11 N ATOM 854 CA ARG A 59 71.104 -11.299 5.841 1.00 0.11 C ATOM 855 C ARG A 59 71.249 -10.195 6.888 1.00 0.12 C ATOM 856 O ARG A 59 72.318 -9.662 7.106 1.00 0.12 O ATOM 857 CB ARG A 59 70.704 -12.596 6.547 1.00 0.12 C ATOM 858 CG ARG A 59 71.774 -12.968 7.572 1.00 0.15 C ATOM 859 CD ARG A 59 71.504 -14.372 8.107 1.00 0.17 C ATOM 860 NE ARG A 59 72.551 -14.733 9.098 1.00 0.25 N ATOM 861 CZ ARG A 59 72.352 -15.718 9.927 1.00 0.30 C ATOM 862 NH1 ARG A 59 71.217 -16.363 9.912 1.00 0.31 N ATOM 863 NH2 ARG A 59 73.284 -16.053 10.776 1.00 0.39 N ATOM 0 H ARG A 59 73.230 -11.446 5.723 1.00 0.11 H new ATOM 0 HA ARG A 59 70.344 -11.011 5.114 1.00 0.11 H new ATOM 0 HB2 ARG A 59 69.740 -12.472 7.040 1.00 0.12 H new ATOM 0 HB3 ARG A 59 70.588 -13.399 5.819 1.00 0.12 H new ATOM 0 HG2 ARG A 59 72.762 -12.926 7.113 1.00 0.15 H new ATOM 0 HG3 ARG A 59 71.773 -12.249 8.391 1.00 0.15 H new ATOM 0 HD2 ARG A 59 70.519 -14.413 8.571 1.00 0.17 H new ATOM 0 HD3 ARG A 59 71.500 -15.091 7.288 1.00 0.17 H new ATOM 0 HE ARG A 59 73.426 -14.209 9.129 1.00 0.25 H new ATOM 0 HH11 ARG A 59 70.487 -16.096 9.252 1.00 0.31 H new ATOM 0 HH12 ARG A 59 71.060 -17.134 10.561 1.00 0.31 H new ATOM 0 HH21 ARG A 59 74.168 -15.544 10.790 1.00 0.39 H new ATOM 0 HH22 ARG A 59 73.129 -16.824 11.425 1.00 0.39 H new ATOM 877 N ASN A 60 70.175 -9.875 7.558 1.00 0.12 N ATOM 878 CA ASN A 60 70.222 -8.831 8.624 1.00 0.13 C ATOM 879 C ASN A 60 70.953 -7.576 8.138 1.00 0.12 C ATOM 880 O ASN A 60 71.815 -7.056 8.818 1.00 0.13 O ATOM 881 CB ASN A 60 70.931 -9.391 9.860 1.00 0.13 C ATOM 882 CG ASN A 60 70.763 -8.421 11.030 1.00 0.18 C ATOM 883 OD1 ASN A 60 70.073 -7.427 10.919 1.00 1.08 O ATOM 884 ND2 ASN A 60 71.374 -8.669 12.158 1.00 1.14 N ATOM 0 H ASN A 60 69.258 -10.296 7.411 1.00 0.12 H new ATOM 0 HA ASN A 60 69.198 -8.554 8.876 1.00 0.13 H new ATOM 0 HB2 ASN A 60 70.517 -10.365 10.119 1.00 0.13 H new ATOM 0 HB3 ASN A 60 71.990 -9.541 9.648 1.00 0.13 H new ATOM 0 HD21 ASN A 60 71.272 -8.028 12.945 1.00 1.14 H new ATOM 0 HD22 ASN A 60 71.953 -9.503 12.252 1.00 1.14 H new ATOM 891 N THR A 61 70.600 -7.056 6.992 1.00 0.12 N ATOM 892 CA THR A 61 71.263 -5.806 6.521 1.00 0.12 C ATOM 893 C THR A 61 70.691 -4.637 7.325 1.00 0.11 C ATOM 894 O THR A 61 69.490 -4.514 7.473 1.00 0.11 O ATOM 895 CB THR A 61 70.971 -5.570 5.038 1.00 0.14 C ATOM 896 OG1 THR A 61 69.568 -5.581 4.828 1.00 0.22 O ATOM 897 CG2 THR A 61 71.627 -6.651 4.172 1.00 0.24 C ATOM 0 H THR A 61 69.889 -7.438 6.368 1.00 0.12 H new ATOM 0 HA THR A 61 72.341 -5.892 6.658 1.00 0.12 H new ATOM 0 HB THR A 61 71.384 -4.603 4.752 1.00 0.14 H new ATOM 0 HG1 THR A 61 69.331 -4.898 4.166 1.00 0.22 H new ATOM 0 HG21 THR A 61 71.405 -6.461 3.122 1.00 0.24 H new ATOM 0 HG22 THR A 61 72.706 -6.633 4.323 1.00 0.24 H new ATOM 0 HG23 THR A 61 71.237 -7.629 4.454 1.00 0.24 H new ATOM 905 N GLN A 62 71.526 -3.777 7.850 1.00 9.83 N ATOM 906 CA GLN A 62 70.998 -2.623 8.650 1.00 11.89 C ATOM 907 C GLN A 62 71.885 -1.395 8.470 1.00 11.16 C ATOM 908 O GLN A 62 73.005 -1.478 8.009 1.00 9.58 O ATOM 909 CB GLN A 62 70.972 -2.993 10.135 1.00 13.81 C ATOM 910 CG GLN A 62 69.888 -4.042 10.391 1.00 19.41 C ATOM 911 CD GLN A 62 69.837 -4.367 11.886 1.00 22.33 C ATOM 912 OE1 GLN A 62 70.859 -4.457 12.538 1.00 28.20 O ATOM 913 NE2 GLN A 62 68.678 -4.546 12.460 1.00 24.17 N ATOM 0 H GLN A 62 72.541 -3.820 7.763 1.00 9.83 H new ATOM 0 HA GLN A 62 69.991 -2.397 8.300 1.00 11.89 H new ATOM 0 HB2 GLN A 62 71.944 -3.380 10.439 1.00 13.81 H new ATOM 0 HB3 GLN A 62 70.780 -2.105 10.737 1.00 13.81 H new ATOM 0 HG2 GLN A 62 68.920 -3.670 10.055 1.00 19.41 H new ATOM 0 HG3 GLN A 62 70.098 -4.945 9.818 1.00 19.41 H new ATOM 0 HE21 GLN A 62 67.821 -4.470 11.913 1.00 24.17 H new ATOM 0 HE22 GLN A 62 68.630 -4.761 13.456 1.00 24.17 H new ATOM 922 N LEU A 63 71.378 -0.251 8.840 1.00 0.12 N ATOM 923 CA LEU A 63 72.165 1.004 8.710 1.00 0.13 C ATOM 924 C LEU A 63 73.022 1.183 9.961 1.00 0.13 C ATOM 925 O LEU A 63 72.534 1.146 11.072 1.00 0.14 O ATOM 926 CB LEU A 63 71.186 2.177 8.553 1.00 0.15 C ATOM 927 CG LEU A 63 71.934 3.503 8.334 1.00 0.18 C ATOM 928 CD1 LEU A 63 72.424 3.611 6.885 1.00 0.18 C ATOM 929 CD2 LEU A 63 70.982 4.667 8.625 1.00 0.21 C ATOM 0 H LEU A 63 70.443 -0.133 9.230 1.00 0.12 H new ATOM 0 HA LEU A 63 72.820 0.964 7.840 1.00 0.13 H new ATOM 0 HB2 LEU A 63 70.521 1.988 7.710 1.00 0.15 H new ATOM 0 HB3 LEU A 63 70.560 2.253 9.442 1.00 0.15 H new ATOM 0 HG LEU A 63 72.794 3.538 9.002 1.00 0.18 H new ATOM 0 HD11 LEU A 63 72.951 4.555 6.749 1.00 0.18 H new ATOM 0 HD12 LEU A 63 73.099 2.784 6.667 1.00 0.18 H new ATOM 0 HD13 LEU A 63 71.570 3.571 6.208 1.00 0.18 H new ATOM 0 HD21 LEU A 63 71.505 5.611 8.472 1.00 0.21 H new ATOM 0 HD22 LEU A 63 70.125 4.613 7.953 1.00 0.21 H new ATOM 0 HD23 LEU A 63 70.638 4.606 9.657 1.00 0.21 H new ATOM 941 N ALA A 64 74.304 1.378 9.778 1.00 0.12 N ATOM 942 CA ALA A 64 75.228 1.565 10.940 1.00 0.14 C ATOM 943 C ALA A 64 75.885 2.942 10.843 1.00 0.14 C ATOM 944 O ALA A 64 76.432 3.310 9.823 1.00 0.15 O ATOM 945 CB ALA A 64 76.321 0.496 10.894 1.00 0.14 C ATOM 0 H ALA A 64 74.755 1.416 8.864 1.00 0.12 H new ATOM 0 HA ALA A 64 74.665 1.483 11.870 1.00 0.14 H new ATOM 0 HB1 ALA A 64 76.996 0.629 11.739 1.00 0.14 H new ATOM 0 HB2 ALA A 64 75.865 -0.493 10.946 1.00 0.14 H new ATOM 0 HB3 ALA A 64 76.882 0.589 9.964 1.00 0.14 H new ATOM 951 N GLY A 65 75.845 3.707 11.900 1.00 0.16 N ATOM 952 CA GLY A 65 76.485 5.053 11.876 1.00 0.17 C ATOM 953 C GLY A 65 75.753 5.980 10.903 1.00 0.17 C ATOM 954 O GLY A 65 74.557 5.884 10.708 1.00 0.17 O ATOM 0 H GLY A 65 75.396 3.457 12.781 1.00 0.16 H new ATOM 0 HA2 GLY A 65 76.474 5.485 12.877 1.00 0.17 H new ATOM 0 HA3 GLY A 65 77.530 4.960 11.581 1.00 0.17 H new ATOM 958 N SER A 66 76.472 6.887 10.303 1.00 0.18 N ATOM 959 CA SER A 66 75.851 7.850 9.349 1.00 0.18 C ATOM 960 C SER A 66 75.934 7.327 7.909 1.00 0.17 C ATOM 961 O SER A 66 75.043 7.561 7.116 1.00 0.16 O ATOM 962 CB SER A 66 76.585 9.197 9.449 1.00 0.21 C ATOM 963 OG SER A 66 75.677 10.249 9.145 1.00 1.19 O ATOM 0 H SER A 66 77.477 7.004 10.434 1.00 0.18 H new ATOM 0 HA SER A 66 74.799 7.973 9.608 1.00 0.18 H new ATOM 0 HB2 SER A 66 76.991 9.330 10.452 1.00 0.21 H new ATOM 0 HB3 SER A 66 77.428 9.217 8.758 1.00 0.21 H new ATOM 0 HG SER A 66 76.141 11.110 9.209 1.00 1.19 H new ATOM 969 N SER A 67 77.012 6.664 7.546 1.00 0.17 N ATOM 970 CA SER A 67 77.153 6.183 6.130 1.00 0.17 C ATOM 971 C SER A 67 77.625 4.727 6.046 1.00 0.16 C ATOM 972 O SER A 67 77.958 4.259 4.977 1.00 0.17 O ATOM 973 CB SER A 67 78.202 7.049 5.438 1.00 0.19 C ATOM 974 OG SER A 67 79.473 6.816 6.033 1.00 0.20 O ATOM 0 H SER A 67 77.792 6.437 8.162 1.00 0.17 H new ATOM 0 HA SER A 67 76.173 6.251 5.658 1.00 0.17 H new ATOM 0 HB2 SER A 67 78.238 6.816 4.374 1.00 0.19 H new ATOM 0 HB3 SER A 67 77.935 8.102 5.525 1.00 0.19 H new ATOM 0 HG SER A 67 80.160 7.316 5.544 1.00 0.20 H new ATOM 980 N GLU A 68 77.704 4.008 7.140 1.00 0.15 N ATOM 981 CA GLU A 68 78.208 2.598 7.069 1.00 0.15 C ATOM 982 C GLU A 68 77.051 1.595 7.072 1.00 0.13 C ATOM 983 O GLU A 68 76.124 1.694 7.851 1.00 0.13 O ATOM 984 CB GLU A 68 79.103 2.337 8.282 1.00 0.16 C ATOM 985 CG GLU A 68 80.368 3.188 8.162 1.00 0.22 C ATOM 986 CD GLU A 68 81.264 2.942 9.378 1.00 1.15 C ATOM 987 OE1 GLU A 68 80.811 2.279 10.297 1.00 1.77 O ATOM 988 OE2 GLU A 68 82.384 3.426 9.370 1.00 1.37 O ATOM 0 H GLU A 68 77.444 4.332 8.072 1.00 0.15 H new ATOM 0 HA GLU A 68 78.766 2.471 6.141 1.00 0.15 H new ATOM 0 HB2 GLU A 68 78.571 2.581 9.201 1.00 0.16 H new ATOM 0 HB3 GLU A 68 79.364 1.280 8.336 1.00 0.16 H new ATOM 0 HG2 GLU A 68 80.903 2.937 7.246 1.00 0.22 H new ATOM 0 HG3 GLU A 68 80.105 4.244 8.098 1.00 0.22 H new ATOM 995 N LEU A 69 77.130 0.608 6.215 1.00 0.13 N ATOM 996 CA LEU A 69 76.076 -0.453 6.146 1.00 0.12 C ATOM 997 C LEU A 69 76.661 -1.735 6.756 1.00 0.13 C ATOM 998 O LEU A 69 77.670 -2.244 6.311 1.00 0.14 O ATOM 999 CB LEU A 69 75.671 -0.659 4.669 1.00 0.14 C ATOM 1000 CG LEU A 69 75.008 -2.028 4.446 1.00 0.14 C ATOM 1001 CD1 LEU A 69 73.870 -2.262 5.459 1.00 0.15 C ATOM 1002 CD2 LEU A 69 74.439 -2.063 3.020 1.00 0.18 C ATOM 0 H LEU A 69 77.893 0.490 5.549 1.00 0.13 H new ATOM 0 HA LEU A 69 75.182 -0.171 6.703 1.00 0.12 H new ATOM 0 HB2 LEU A 69 74.984 0.131 4.367 1.00 0.14 H new ATOM 0 HB3 LEU A 69 76.553 -0.574 4.035 1.00 0.14 H new ATOM 0 HG LEU A 69 75.751 -2.813 4.585 1.00 0.14 H new ATOM 0 HD11 LEU A 69 73.418 -3.237 5.279 1.00 0.15 H new ATOM 0 HD12 LEU A 69 74.272 -2.229 6.472 1.00 0.15 H new ATOM 0 HD13 LEU A 69 73.114 -1.485 5.343 1.00 0.15 H new ATOM 0 HD21 LEU A 69 73.964 -3.027 2.842 1.00 0.18 H new ATOM 0 HD22 LEU A 69 73.702 -1.268 2.903 1.00 0.18 H new ATOM 0 HD23 LEU A 69 75.247 -1.918 2.302 1.00 0.18 H new ATOM 1014 N ALA A 70 76.039 -2.237 7.794 1.00 0.12 N ATOM 1015 CA ALA A 70 76.550 -3.470 8.471 1.00 0.12 C ATOM 1016 C ALA A 70 75.681 -4.661 8.062 1.00 0.12 C ATOM 1017 O ALA A 70 74.478 -4.554 7.930 1.00 0.13 O ATOM 1018 CB ALA A 70 76.473 -3.254 9.984 1.00 0.15 C ATOM 0 H ALA A 70 75.193 -1.843 8.205 1.00 0.12 H new ATOM 0 HA ALA A 70 77.582 -3.671 8.182 1.00 0.12 H new ATOM 0 HB1 ALA A 70 76.841 -4.142 10.498 1.00 0.15 H new ATOM 0 HB2 ALA A 70 77.085 -2.395 10.261 1.00 0.15 H new ATOM 0 HB3 ALA A 70 75.438 -3.071 10.273 1.00 0.15 H new ATOM 1024 N ALA A 71 76.288 -5.796 7.850 1.00 0.12 N ATOM 1025 CA ALA A 71 75.510 -6.999 7.441 1.00 0.13 C ATOM 1026 C ALA A 71 76.288 -8.264 7.801 1.00 0.13 C ATOM 1027 O ALA A 71 77.461 -8.216 8.125 1.00 0.14 O ATOM 1028 CB ALA A 71 75.320 -7.020 5.923 1.00 0.15 C ATOM 0 H ALA A 71 77.293 -5.942 7.943 1.00 0.12 H new ATOM 0 HA ALA A 71 74.548 -6.963 7.952 1.00 0.13 H new ATOM 0 HB1 ALA A 71 74.750 -7.905 5.640 1.00 0.15 H new ATOM 0 HB2 ALA A 71 74.780 -6.126 5.611 1.00 0.15 H new ATOM 0 HB3 ALA A 71 76.294 -7.045 5.435 1.00 0.15 H new ATOM 1034 N GLU A 72 75.643 -9.403 7.698 1.00 0.13 N ATOM 1035 CA GLU A 72 76.316 -10.708 7.977 1.00 0.12 C ATOM 1036 C GLU A 72 76.358 -11.467 6.650 1.00 0.12 C ATOM 1037 O GLU A 72 75.368 -11.520 5.948 1.00 0.11 O ATOM 1038 CB GLU A 72 75.489 -11.505 8.997 1.00 0.14 C ATOM 1039 CG GLU A 72 75.453 -10.761 10.333 1.00 0.18 C ATOM 1040 CD GLU A 72 74.435 -11.433 11.259 1.00 0.20 C ATOM 1041 OE1 GLU A 72 73.896 -12.455 10.868 1.00 0.29 O ATOM 1042 OE2 GLU A 72 74.205 -10.909 12.337 1.00 0.36 O ATOM 0 H GLU A 72 74.663 -9.482 7.428 1.00 0.13 H new ATOM 0 HA GLU A 72 77.317 -10.560 8.383 1.00 0.12 H new ATOM 0 HB2 GLU A 72 74.475 -11.649 8.623 1.00 0.14 H new ATOM 0 HB3 GLU A 72 75.922 -12.496 9.134 1.00 0.14 H new ATOM 0 HG2 GLU A 72 76.441 -10.768 10.793 1.00 0.18 H new ATOM 0 HG3 GLU A 72 75.183 -9.717 10.174 1.00 0.18 H new ATOM 1049 N CYS A 73 77.483 -12.035 6.276 1.00 0.12 N ATOM 1050 CA CYS A 73 77.551 -12.758 4.958 1.00 0.12 C ATOM 1051 C CYS A 73 78.240 -14.114 5.091 1.00 0.12 C ATOM 1052 O CYS A 73 79.073 -14.334 5.948 1.00 0.13 O ATOM 1053 CB CYS A 73 78.318 -11.899 3.953 1.00 0.13 C ATOM 1054 SG CYS A 73 77.355 -10.409 3.583 1.00 0.14 S ATOM 0 H CYS A 73 78.348 -12.031 6.817 1.00 0.12 H new ATOM 0 HA CYS A 73 76.531 -12.931 4.615 1.00 0.12 H new ATOM 0 HB2 CYS A 73 79.292 -11.625 4.359 1.00 0.13 H new ATOM 0 HB3 CYS A 73 78.501 -12.464 3.039 1.00 0.13 H new ATOM 1059 N LYS A 74 77.865 -15.028 4.241 1.00 0.13 N ATOM 1060 CA LYS A 74 78.463 -16.391 4.292 1.00 0.13 C ATOM 1061 C LYS A 74 79.887 -16.402 3.750 1.00 0.13 C ATOM 1062 O LYS A 74 80.174 -15.908 2.677 1.00 0.13 O ATOM 1063 CB LYS A 74 77.634 -17.366 3.452 1.00 0.16 C ATOM 1064 CG LYS A 74 76.281 -17.582 4.115 1.00 0.20 C ATOM 1065 CD LYS A 74 75.462 -18.616 3.328 1.00 0.22 C ATOM 1066 CE LYS A 74 75.915 -20.040 3.685 1.00 0.30 C ATOM 1067 NZ LYS A 74 74.927 -21.018 3.152 1.00 0.38 N ATOM 0 H LYS A 74 77.167 -14.889 3.510 1.00 0.13 H new ATOM 0 HA LYS A 74 78.472 -16.693 5.339 1.00 0.13 H new ATOM 0 HB2 LYS A 74 77.499 -16.971 2.445 1.00 0.16 H new ATOM 0 HB3 LYS A 74 78.159 -18.316 3.354 1.00 0.16 H new ATOM 0 HG2 LYS A 74 76.421 -17.923 5.141 1.00 0.20 H new ATOM 0 HG3 LYS A 74 75.738 -16.638 4.164 1.00 0.20 H new ATOM 0 HD2 LYS A 74 74.402 -18.497 3.553 1.00 0.22 H new ATOM 0 HD3 LYS A 74 75.582 -18.447 2.258 1.00 0.22 H new ATOM 0 HE2 LYS A 74 76.901 -20.236 3.265 1.00 0.30 H new ATOM 0 HE3 LYS A 74 76.002 -20.146 4.766 1.00 0.30 H new ATOM 0 HZ1 LYS A 74 75.420 -21.886 2.860 1.00 0.38 H new ATOM 0 HZ2 LYS A 74 74.232 -21.247 3.891 1.00 0.38 H new ATOM 0 HZ3 LYS A 74 74.438 -20.605 2.332 1.00 0.38 H new ATOM 1081 N THR A 75 80.764 -17.028 4.476 1.00 0.13 N ATOM 1082 CA THR A 75 82.173 -17.161 4.018 1.00 0.14 C ATOM 1083 C THR A 75 82.269 -18.455 3.231 1.00 0.15 C ATOM 1084 O THR A 75 81.322 -19.215 3.147 1.00 0.15 O ATOM 1085 CB THR A 75 83.137 -17.243 5.207 1.00 0.15 C ATOM 1086 OG1 THR A 75 82.966 -18.492 5.862 1.00 0.25 O ATOM 1087 CG2 THR A 75 82.877 -16.111 6.202 1.00 0.23 C ATOM 0 H THR A 75 80.564 -17.459 5.379 1.00 0.13 H new ATOM 0 HA THR A 75 82.444 -16.293 3.417 1.00 0.14 H new ATOM 0 HB THR A 75 84.157 -17.148 4.834 1.00 0.15 H new ATOM 0 HG1 THR A 75 83.582 -18.550 6.622 1.00 0.25 H new ATOM 0 HG21 THR A 75 83.574 -16.192 7.036 1.00 0.23 H new ATOM 0 HG22 THR A 75 83.016 -15.151 5.705 1.00 0.23 H new ATOM 0 HG23 THR A 75 81.855 -16.182 6.575 1.00 0.23 H new ATOM 1095 N ARG A 76 83.390 -18.722 2.652 1.00 0.17 N ATOM 1096 CA ARG A 76 83.512 -19.975 1.878 1.00 0.19 C ATOM 1097 C ARG A 76 83.207 -21.153 2.803 1.00 0.18 C ATOM 1098 O ARG A 76 82.869 -22.226 2.344 1.00 0.19 O ATOM 1099 CB ARG A 76 84.933 -20.118 1.330 1.00 0.22 C ATOM 1100 CG ARG A 76 85.168 -19.075 0.237 1.00 0.25 C ATOM 1101 CD ARG A 76 86.588 -19.222 -0.307 1.00 0.35 C ATOM 1102 NE ARG A 76 87.566 -19.015 0.798 1.00 1.36 N ATOM 1103 CZ ARG A 76 88.812 -19.376 0.645 1.00 1.94 C ATOM 1104 NH1 ARG A 76 89.203 -19.907 -0.481 1.00 2.11 N ATOM 1105 NH2 ARG A 76 89.665 -19.208 1.619 1.00 2.94 N ATOM 0 H ARG A 76 84.223 -18.134 2.678 1.00 0.17 H new ATOM 0 HA ARG A 76 82.811 -19.957 1.043 1.00 0.19 H new ATOM 0 HB2 ARG A 76 85.658 -19.988 2.133 1.00 0.22 H new ATOM 0 HB3 ARG A 76 85.079 -21.120 0.928 1.00 0.22 H new ATOM 0 HG2 ARG A 76 84.443 -19.205 -0.567 1.00 0.25 H new ATOM 0 HG3 ARG A 76 85.022 -18.072 0.638 1.00 0.25 H new ATOM 0 HD2 ARG A 76 86.721 -20.212 -0.744 1.00 0.35 H new ATOM 0 HD3 ARG A 76 86.762 -18.496 -1.102 1.00 0.35 H new ATOM 0 HE ARG A 76 87.262 -18.591 1.675 1.00 1.36 H new ATOM 0 HH11 ARG A 76 88.536 -20.040 -1.241 1.00 2.11 H new ATOM 0 HH12 ARG A 76 90.176 -20.189 -0.601 1.00 2.11 H new ATOM 0 HH21 ARG A 76 89.359 -18.795 2.500 1.00 2.94 H new ATOM 0 HH22 ARG A 76 90.638 -19.490 1.499 1.00 2.94 H new ATOM 1119 N ALA A 77 83.357 -20.991 4.102 1.00 0.17 N ATOM 1120 CA ALA A 77 83.111 -22.155 5.015 1.00 0.17 C ATOM 1121 C ALA A 77 81.630 -22.262 5.414 1.00 0.17 C ATOM 1122 O ALA A 77 81.293 -23.023 6.297 1.00 0.17 O ATOM 1123 CB ALA A 77 83.985 -22.030 6.264 1.00 0.17 C ATOM 0 H ALA A 77 83.633 -20.122 4.559 1.00 0.17 H new ATOM 0 HA ALA A 77 83.374 -23.065 4.476 1.00 0.17 H new ATOM 0 HB1 ALA A 77 83.801 -22.879 6.923 1.00 0.17 H new ATOM 0 HB2 ALA A 77 85.035 -22.017 5.973 1.00 0.17 H new ATOM 0 HB3 ALA A 77 83.742 -21.105 6.787 1.00 0.17 H new ATOM 1129 N GLN A 78 80.744 -21.521 4.786 1.00 0.17 N ATOM 1130 CA GLN A 78 79.278 -21.586 5.125 1.00 0.18 C ATOM 1131 C GLN A 78 79.000 -21.116 6.562 1.00 0.18 C ATOM 1132 O GLN A 78 78.094 -21.601 7.209 1.00 0.20 O ATOM 1133 CB GLN A 78 78.749 -23.012 4.937 1.00 0.20 C ATOM 1134 CG GLN A 78 78.988 -23.448 3.491 1.00 0.31 C ATOM 1135 CD GLN A 78 78.093 -22.638 2.547 1.00 0.59 C ATOM 1136 OE1 GLN A 78 76.901 -22.519 2.763 1.00 1.56 O ATOM 1137 NE2 GLN A 78 78.627 -22.062 1.503 1.00 0.41 N ATOM 0 H GLN A 78 80.976 -20.863 4.042 1.00 0.17 H new ATOM 0 HA GLN A 78 78.759 -20.911 4.444 1.00 0.18 H new ATOM 0 HB2 GLN A 78 79.252 -23.693 5.623 1.00 0.20 H new ATOM 0 HB3 GLN A 78 77.685 -23.052 5.171 1.00 0.20 H new ATOM 0 HG2 GLN A 78 80.035 -23.303 3.227 1.00 0.31 H new ATOM 0 HG3 GLN A 78 78.776 -24.512 3.383 1.00 0.31 H new ATOM 0 HE21 GLN A 78 79.626 -22.161 1.321 1.00 0.41 H new ATOM 0 HE22 GLN A 78 78.045 -21.513 0.870 1.00 0.41 H new ATOM 1146 N GLN A 79 79.755 -20.162 7.051 1.00 0.17 N ATOM 1147 CA GLN A 79 79.535 -19.628 8.440 1.00 0.19 C ATOM 1148 C GLN A 79 79.235 -18.123 8.354 1.00 0.17 C ATOM 1149 O GLN A 79 79.997 -17.372 7.779 1.00 0.21 O ATOM 1150 CB GLN A 79 80.810 -19.856 9.259 1.00 0.22 C ATOM 1151 CG GLN A 79 80.698 -19.159 10.618 1.00 1.18 C ATOM 1152 CD GLN A 79 81.863 -19.601 11.509 1.00 1.51 C ATOM 1153 OE1 GLN A 79 82.477 -20.621 11.262 1.00 1.87 O ATOM 1154 NE2 GLN A 79 82.196 -18.875 12.541 1.00 2.23 N ATOM 0 H GLN A 79 80.524 -19.723 6.544 1.00 0.17 H new ATOM 0 HA GLN A 79 78.697 -20.137 8.916 1.00 0.19 H new ATOM 0 HB2 GLN A 79 80.973 -20.924 9.402 1.00 0.22 H new ATOM 0 HB3 GLN A 79 81.673 -19.472 8.716 1.00 0.22 H new ATOM 0 HG2 GLN A 79 80.715 -18.077 10.488 1.00 1.18 H new ATOM 0 HG3 GLN A 79 79.748 -19.408 11.091 1.00 1.18 H new ATOM 0 HE21 GLN A 79 81.682 -18.019 12.750 1.00 2.23 H new ATOM 0 HE22 GLN A 79 82.970 -19.163 13.139 1.00 2.23 H new ATOM 1163 N PHE A 80 78.136 -17.664 8.914 1.00 0.15 N ATOM 1164 CA PHE A 80 77.822 -16.197 8.828 1.00 0.14 C ATOM 1165 C PHE A 80 78.772 -15.390 9.728 1.00 0.13 C ATOM 1166 O PHE A 80 78.885 -15.658 10.909 1.00 0.14 O ATOM 1167 CB PHE A 80 76.378 -15.920 9.300 1.00 0.16 C ATOM 1168 CG PHE A 80 75.369 -16.216 8.212 1.00 0.19 C ATOM 1169 CD1 PHE A 80 75.197 -15.307 7.162 1.00 0.22 C ATOM 1170 CD2 PHE A 80 74.580 -17.373 8.273 1.00 0.24 C ATOM 1171 CE1 PHE A 80 74.244 -15.555 6.168 1.00 0.28 C ATOM 1172 CE2 PHE A 80 73.622 -17.618 7.282 1.00 0.30 C ATOM 1173 CZ PHE A 80 73.454 -16.709 6.229 1.00 0.31 C ATOM 0 H PHE A 80 77.454 -18.230 9.418 1.00 0.15 H new ATOM 0 HA PHE A 80 77.941 -15.898 7.786 1.00 0.14 H new ATOM 0 HB2 PHE A 80 76.158 -16.530 10.176 1.00 0.16 H new ATOM 0 HB3 PHE A 80 76.288 -14.878 9.606 1.00 0.16 H new ATOM 0 HD1 PHE A 80 75.801 -14.413 7.119 1.00 0.22 H new ATOM 0 HD2 PHE A 80 74.711 -18.075 9.084 1.00 0.24 H new ATOM 0 HE1 PHE A 80 74.118 -14.856 5.354 1.00 0.28 H new ATOM 0 HE2 PHE A 80 73.012 -18.508 7.329 1.00 0.30 H new ATOM 0 HZ PHE A 80 72.715 -16.899 5.465 1.00 0.31 H new ATOM 1183 N VAL A 81 79.431 -14.388 9.183 1.00 0.12 N ATOM 1184 CA VAL A 81 80.356 -13.536 10.012 1.00 0.12 C ATOM 1185 C VAL A 81 80.002 -12.060 9.808 1.00 0.12 C ATOM 1186 O VAL A 81 79.349 -11.697 8.850 1.00 0.12 O ATOM 1187 CB VAL A 81 81.813 -13.808 9.615 1.00 0.14 C ATOM 1188 CG1 VAL A 81 81.985 -15.313 9.411 1.00 0.18 C ATOM 1189 CG2 VAL A 81 82.180 -13.147 8.280 1.00 0.16 C ATOM 0 H VAL A 81 79.369 -14.123 8.200 1.00 0.12 H new ATOM 0 HA VAL A 81 80.239 -13.783 11.067 1.00 0.12 H new ATOM 0 HB VAL A 81 82.448 -13.408 10.406 1.00 0.14 H new ATOM 0 HG11 VAL A 81 83.016 -15.526 9.128 1.00 0.18 H new ATOM 0 HG12 VAL A 81 81.748 -15.835 10.338 1.00 0.18 H new ATOM 0 HG13 VAL A 81 81.314 -15.652 8.622 1.00 0.18 H new ATOM 0 HG21 VAL A 81 83.220 -13.366 8.039 1.00 0.16 H new ATOM 0 HG22 VAL A 81 81.535 -13.536 7.492 1.00 0.16 H new ATOM 0 HG23 VAL A 81 82.046 -12.068 8.359 1.00 0.16 H new ATOM 1199 N SER A 82 80.400 -11.208 10.710 1.00 0.15 N ATOM 1200 CA SER A 82 80.054 -9.760 10.572 1.00 0.15 C ATOM 1201 C SER A 82 80.884 -9.082 9.473 1.00 0.16 C ATOM 1202 O SER A 82 82.095 -9.180 9.442 1.00 0.25 O ATOM 1203 CB SER A 82 80.301 -9.047 11.903 1.00 0.23 C ATOM 1204 OG SER A 82 80.051 -7.656 11.744 1.00 0.26 O ATOM 0 H SER A 82 80.949 -11.447 11.536 1.00 0.15 H new ATOM 0 HA SER A 82 79.002 -9.692 10.294 1.00 0.15 H new ATOM 0 HB2 SER A 82 79.652 -9.459 12.675 1.00 0.23 H new ATOM 0 HB3 SER A 82 81.328 -9.209 12.230 1.00 0.23 H new ATOM 0 HG SER A 82 80.207 -7.196 12.595 1.00 0.26 H new ATOM 1210 N THR A 83 80.230 -8.375 8.583 1.00 0.12 N ATOM 1211 CA THR A 83 80.947 -7.654 7.481 1.00 0.17 C ATOM 1212 C THR A 83 80.409 -6.219 7.387 1.00 0.12 C ATOM 1213 O THR A 83 79.335 -5.913 7.866 1.00 0.11 O ATOM 1214 CB THR A 83 80.728 -8.385 6.152 1.00 0.27 C ATOM 1215 OG1 THR A 83 81.330 -7.643 5.101 1.00 0.31 O ATOM 1216 CG2 THR A 83 79.231 -8.550 5.876 1.00 0.29 C ATOM 0 H THR A 83 79.216 -8.265 8.572 1.00 0.12 H new ATOM 0 HA THR A 83 82.016 -7.628 7.694 1.00 0.17 H new ATOM 0 HB THR A 83 81.184 -9.373 6.211 1.00 0.27 H new ATOM 0 HG1 THR A 83 80.643 -7.128 4.629 1.00 0.31 H new ATOM 0 HG21 THR A 83 79.091 -9.071 4.929 1.00 0.29 H new ATOM 0 HG22 THR A 83 78.775 -9.128 6.679 1.00 0.29 H new ATOM 0 HG23 THR A 83 78.760 -7.568 5.823 1.00 0.29 H new ATOM 1224 N LYS A 84 81.153 -5.338 6.768 1.00 0.12 N ATOM 1225 CA LYS A 84 80.689 -3.923 6.645 1.00 0.14 C ATOM 1226 C LYS A 84 81.309 -3.274 5.401 1.00 0.13 C ATOM 1227 O LYS A 84 82.311 -3.719 4.874 1.00 0.15 O ATOM 1228 CB LYS A 84 81.116 -3.141 7.888 1.00 0.25 C ATOM 1229 CG LYS A 84 82.640 -3.169 8.008 1.00 0.34 C ATOM 1230 CD LYS A 84 83.064 -2.590 9.367 1.00 0.48 C ATOM 1231 CE LYS A 84 82.712 -3.562 10.512 1.00 1.17 C ATOM 1232 NZ LYS A 84 81.360 -3.232 11.043 1.00 1.98 N ATOM 0 H LYS A 84 82.059 -5.536 6.344 1.00 0.12 H new ATOM 0 HA LYS A 84 79.603 -3.909 6.553 1.00 0.14 H new ATOM 0 HB2 LYS A 84 80.764 -2.111 7.822 1.00 0.25 H new ATOM 0 HB3 LYS A 84 80.662 -3.576 8.778 1.00 0.25 H new ATOM 0 HG2 LYS A 84 83.003 -4.192 7.908 1.00 0.34 H new ATOM 0 HG3 LYS A 84 83.089 -2.591 7.200 1.00 0.34 H new ATOM 0 HD2 LYS A 84 84.137 -2.396 9.366 1.00 0.48 H new ATOM 0 HD3 LYS A 84 82.567 -1.634 9.531 1.00 0.48 H new ATOM 0 HE2 LYS A 84 82.732 -4.590 10.150 1.00 1.17 H new ATOM 0 HE3 LYS A 84 83.455 -3.489 11.307 1.00 1.17 H new ATOM 0 HZ1 LYS A 84 81.442 -2.922 12.032 1.00 1.98 H new ATOM 0 HZ2 LYS A 84 80.941 -2.469 10.475 1.00 1.98 H new ATOM 0 HZ3 LYS A 84 80.752 -4.074 10.993 1.00 1.98 H new ATOM 1246 N ILE A 85 80.696 -2.215 4.939 1.00 0.13 N ATOM 1247 CA ILE A 85 81.189 -1.487 3.731 1.00 0.13 C ATOM 1248 C ILE A 85 80.847 0.005 3.870 1.00 0.13 C ATOM 1249 O ILE A 85 79.834 0.373 4.430 1.00 0.13 O ATOM 1250 CB ILE A 85 80.524 -2.077 2.479 1.00 0.14 C ATOM 1251 CG1 ILE A 85 81.152 -1.473 1.218 1.00 0.17 C ATOM 1252 CG2 ILE A 85 79.027 -1.775 2.493 1.00 0.16 C ATOM 1253 CD1 ILE A 85 80.736 -2.300 -0.005 1.00 0.20 C ATOM 0 H ILE A 85 79.856 -1.816 5.358 1.00 0.13 H new ATOM 0 HA ILE A 85 82.270 -1.596 3.639 1.00 0.13 H new ATOM 0 HB ILE A 85 80.676 -3.156 2.477 1.00 0.14 H new ATOM 0 HG12 ILE A 85 80.830 -0.439 1.098 1.00 0.17 H new ATOM 0 HG13 ILE A 85 82.238 -1.460 1.310 1.00 0.17 H new ATOM 0 HG21 ILE A 85 78.562 -2.197 1.602 1.00 0.16 H new ATOM 0 HG22 ILE A 85 78.575 -2.216 3.381 1.00 0.16 H new ATOM 0 HG23 ILE A 85 78.874 -0.696 2.506 1.00 0.16 H new ATOM 0 HD11 ILE A 85 81.182 -1.872 -0.903 1.00 0.20 H new ATOM 0 HD12 ILE A 85 81.080 -3.327 0.116 1.00 0.20 H new ATOM 0 HD13 ILE A 85 79.650 -2.290 -0.099 1.00 0.20 H new ATOM 1265 N ASN A 86 81.693 0.862 3.362 1.00 0.13 N ATOM 1266 CA ASN A 86 81.434 2.336 3.465 1.00 0.14 C ATOM 1267 C ASN A 86 80.569 2.799 2.284 1.00 0.13 C ATOM 1268 O ASN A 86 81.014 2.799 1.160 1.00 0.13 O ATOM 1269 CB ASN A 86 82.774 3.079 3.429 1.00 0.15 C ATOM 1270 CG ASN A 86 82.574 4.532 3.869 1.00 0.17 C ATOM 1271 OD1 ASN A 86 81.460 5.017 3.926 1.00 0.17 O ATOM 1272 ND2 ASN A 86 83.618 5.254 4.180 1.00 0.23 N ATOM 0 H ASN A 86 82.555 0.608 2.879 1.00 0.13 H new ATOM 0 HA ASN A 86 80.911 2.548 4.397 1.00 0.14 H new ATOM 0 HB2 ASN A 86 83.491 2.586 4.085 1.00 0.15 H new ATOM 0 HB3 ASN A 86 83.190 3.048 2.422 1.00 0.15 H new ATOM 0 HD21 ASN A 86 83.499 6.224 4.471 1.00 0.23 H new ATOM 0 HD22 ASN A 86 84.552 4.847 4.132 1.00 0.23 H new ATOM 1279 N LEU A 87 79.352 3.219 2.533 1.00 0.13 N ATOM 1280 CA LEU A 87 78.470 3.708 1.420 1.00 0.13 C ATOM 1281 C LEU A 87 79.025 5.019 0.851 1.00 0.13 C ATOM 1282 O LEU A 87 78.703 5.405 -0.255 1.00 0.13 O ATOM 1283 CB LEU A 87 77.054 3.984 1.948 1.00 0.14 C ATOM 1284 CG LEU A 87 76.494 2.757 2.673 1.00 0.15 C ATOM 1285 CD1 LEU A 87 75.016 3.004 3.012 1.00 0.18 C ATOM 1286 CD2 LEU A 87 76.623 1.518 1.781 1.00 0.21 C ATOM 0 H LEU A 87 78.928 3.245 3.460 1.00 0.13 H new ATOM 0 HA LEU A 87 78.440 2.940 0.647 1.00 0.13 H new ATOM 0 HB2 LEU A 87 77.074 4.836 2.628 1.00 0.14 H new ATOM 0 HB3 LEU A 87 76.398 4.253 1.120 1.00 0.14 H new ATOM 0 HG LEU A 87 77.057 2.588 3.591 1.00 0.15 H new ATOM 0 HD11 LEU A 87 74.611 2.134 3.529 1.00 0.18 H new ATOM 0 HD12 LEU A 87 74.932 3.880 3.655 1.00 0.18 H new ATOM 0 HD13 LEU A 87 74.455 3.174 2.093 1.00 0.18 H new ATOM 0 HD21 LEU A 87 76.222 0.650 2.304 1.00 0.21 H new ATOM 0 HD22 LEU A 87 76.065 1.675 0.858 1.00 0.21 H new ATOM 0 HD23 LEU A 87 77.673 1.347 1.546 1.00 0.21 H new ATOM 1298 N ASP A 88 79.821 5.727 1.598 1.00 0.14 N ATOM 1299 CA ASP A 88 80.346 7.031 1.091 1.00 0.15 C ATOM 1300 C ASP A 88 81.353 6.839 -0.053 1.00 0.15 C ATOM 1301 O ASP A 88 81.733 7.792 -0.698 1.00 0.15 O ATOM 1302 CB ASP A 88 81.037 7.786 2.234 1.00 0.17 C ATOM 1303 CG ASP A 88 79.988 8.297 3.225 1.00 0.18 C ATOM 1304 OD1 ASP A 88 78.840 8.425 2.831 1.00 0.19 O ATOM 1305 OD2 ASP A 88 80.350 8.553 4.361 1.00 0.22 O ATOM 0 H ASP A 88 80.132 5.465 2.533 1.00 0.14 H new ATOM 0 HA ASP A 88 79.498 7.599 0.709 1.00 0.15 H new ATOM 0 HB2 ASP A 88 81.742 7.128 2.743 1.00 0.17 H new ATOM 0 HB3 ASP A 88 81.612 8.622 1.835 1.00 0.17 H new ATOM 1310 N ASP A 89 81.841 5.651 -0.289 1.00 0.16 N ATOM 1311 CA ASP A 89 82.864 5.464 -1.368 1.00 0.17 C ATOM 1312 C ASP A 89 82.333 5.823 -2.761 1.00 0.16 C ATOM 1313 O ASP A 89 83.065 6.343 -3.580 1.00 0.16 O ATOM 1314 CB ASP A 89 83.288 3.994 -1.411 1.00 0.20 C ATOM 1315 CG ASP A 89 84.070 3.643 -0.140 1.00 0.23 C ATOM 1316 OD1 ASP A 89 84.702 4.531 0.406 1.00 0.27 O ATOM 1317 OD2 ASP A 89 84.021 2.493 0.264 1.00 0.26 O ATOM 0 H ASP A 89 81.579 4.803 0.214 1.00 0.16 H new ATOM 0 HA ASP A 89 83.694 6.128 -1.129 1.00 0.17 H new ATOM 0 HB2 ASP A 89 82.409 3.355 -1.497 1.00 0.20 H new ATOM 0 HB3 ASP A 89 83.904 3.809 -2.291 1.00 0.20 H new ATOM 1322 N HIS A 90 81.103 5.477 -3.079 1.00 0.16 N ATOM 1323 CA HIS A 90 80.589 5.744 -4.468 1.00 0.17 C ATOM 1324 C HIS A 90 79.145 6.266 -4.466 1.00 0.16 C ATOM 1325 O HIS A 90 78.647 6.700 -5.486 1.00 0.17 O ATOM 1326 CB HIS A 90 80.656 4.431 -5.254 1.00 0.21 C ATOM 1327 CG HIS A 90 82.092 3.991 -5.339 1.00 0.22 C ATOM 1328 ND1 HIS A 90 82.809 3.040 -4.649 1.00 0.26 N flip ATOM 1329 CD2 HIS A 90 82.990 4.580 -6.215 1.00 0.25 C flip ATOM 1330 CE1 HIS A 90 84.127 3.044 -5.093 1.00 0.29 C flip ATOM 1331 NE2 HIS A 90 84.185 3.990 -6.035 1.00 0.28 N flip ATOM 0 H HIS A 90 80.440 5.027 -2.447 1.00 0.16 H new ATOM 0 HA HIS A 90 81.207 6.517 -4.925 1.00 0.17 H new ATOM 0 HB2 HIS A 90 80.055 3.666 -4.763 1.00 0.21 H new ATOM 0 HB3 HIS A 90 80.243 4.568 -6.253 1.00 0.21 H new ATOM 0 HD1 HIS A 90 82.433 2.428 -3.925 1.00 0.26 H new ATOM 0 HD2 HIS A 90 82.770 5.371 -6.916 1.00 0.25 H new ATOM 0 HE1 HIS A 90 84.934 2.415 -4.749 1.00 0.29 H new ATOM 1339 N ILE A 91 78.461 6.237 -3.356 1.00 0.15 N ATOM 1340 CA ILE A 91 77.053 6.749 -3.351 1.00 0.14 C ATOM 1341 C ILE A 91 77.078 8.260 -3.151 1.00 0.14 C ATOM 1342 O ILE A 91 77.420 8.743 -2.093 1.00 0.15 O ATOM 1343 CB ILE A 91 76.262 6.098 -2.209 1.00 0.15 C ATOM 1344 CG1 ILE A 91 76.115 4.577 -2.449 1.00 0.16 C ATOM 1345 CG2 ILE A 91 74.876 6.750 -2.110 1.00 0.17 C ATOM 1346 CD1 ILE A 91 74.963 4.294 -3.433 1.00 0.17 C ATOM 0 H ILE A 91 78.805 5.887 -2.462 1.00 0.15 H new ATOM 0 HA ILE A 91 76.574 6.504 -4.299 1.00 0.14 H new ATOM 0 HB ILE A 91 76.802 6.248 -1.274 1.00 0.15 H new ATOM 0 HG12 ILE A 91 77.047 4.174 -2.845 1.00 0.16 H new ATOM 0 HG13 ILE A 91 75.925 4.070 -1.503 1.00 0.16 H new ATOM 0 HG21 ILE A 91 74.314 6.288 -1.299 1.00 0.17 H new ATOM 0 HG22 ILE A 91 74.989 7.816 -1.912 1.00 0.17 H new ATOM 0 HG23 ILE A 91 74.340 6.610 -3.049 1.00 0.17 H new ATOM 0 HD11 ILE A 91 74.874 3.219 -3.590 1.00 0.17 H new ATOM 0 HD12 ILE A 91 74.030 4.679 -3.021 1.00 0.17 H new ATOM 0 HD13 ILE A 91 75.169 4.784 -4.385 1.00 0.17 H new ATOM 1358 N ALA A 92 76.714 9.005 -4.168 1.00 0.15 N ATOM 1359 CA ALA A 92 76.721 10.502 -4.044 1.00 0.16 C ATOM 1360 C ALA A 92 75.312 11.067 -4.200 1.00 0.16 C ATOM 1361 O ALA A 92 74.398 10.402 -4.649 1.00 0.15 O ATOM 1362 CB ALA A 92 77.596 11.135 -5.133 1.00 0.17 C ATOM 0 H ALA A 92 76.414 8.646 -5.074 1.00 0.15 H new ATOM 0 HA ALA A 92 77.116 10.738 -3.056 1.00 0.16 H new ATOM 0 HB1 ALA A 92 77.586 12.219 -5.023 1.00 0.17 H new ATOM 0 HB2 ALA A 92 78.618 10.770 -5.036 1.00 0.17 H new ATOM 0 HB3 ALA A 92 77.206 10.866 -6.115 1.00 0.17 H new ATOM 1368 N ASN A 93 75.154 12.320 -3.861 1.00 0.17 N ATOM 1369 CA ASN A 93 73.839 13.006 -4.005 1.00 0.18 C ATOM 1370 C ASN A 93 73.959 13.978 -5.175 1.00 0.18 C ATOM 1371 O ASN A 93 74.683 14.951 -5.102 1.00 0.19 O ATOM 1372 CB ASN A 93 73.522 13.786 -2.726 1.00 0.20 C ATOM 1373 CG ASN A 93 72.189 14.517 -2.895 1.00 0.20 C ATOM 1374 OD1 ASN A 93 71.281 14.013 -3.528 1.00 0.34 O ATOM 1375 ND2 ASN A 93 72.028 15.692 -2.348 1.00 0.34 N ATOM 0 H ASN A 93 75.898 12.907 -3.483 1.00 0.17 H new ATOM 0 HA ASN A 93 73.043 12.282 -4.179 1.00 0.18 H new ATOM 0 HB2 ASN A 93 73.472 13.106 -1.875 1.00 0.20 H new ATOM 0 HB3 ASN A 93 74.318 14.501 -2.516 1.00 0.20 H new ATOM 0 HD21 ASN A 93 71.142 16.186 -2.452 1.00 0.34 H new ATOM 0 HD22 ASN A 93 72.789 16.116 -1.817 1.00 0.34 H new ATOM 1382 N ILE A 94 73.256 13.727 -6.252 1.00 0.18 N ATOM 1383 CA ILE A 94 73.319 14.641 -7.440 1.00 0.18 C ATOM 1384 C ILE A 94 71.938 15.278 -7.607 1.00 0.18 C ATOM 1385 O ILE A 94 71.001 14.665 -8.075 1.00 0.17 O ATOM 1386 CB ILE A 94 73.688 13.801 -8.675 1.00 0.19 C ATOM 1387 CG1 ILE A 94 75.134 13.292 -8.526 1.00 0.26 C ATOM 1388 CG2 ILE A 94 73.590 14.631 -9.957 1.00 0.24 C ATOM 1389 CD1 ILE A 94 75.465 12.203 -9.564 1.00 0.23 C ATOM 0 H ILE A 94 72.637 12.924 -6.362 1.00 0.18 H new ATOM 0 HA ILE A 94 74.066 15.424 -7.313 1.00 0.18 H new ATOM 0 HB ILE A 94 72.989 12.967 -8.743 1.00 0.19 H new ATOM 0 HG12 ILE A 94 75.827 14.126 -8.640 1.00 0.26 H new ATOM 0 HG13 ILE A 94 75.278 12.893 -7.522 1.00 0.26 H new ATOM 0 HG21 ILE A 94 73.856 14.011 -10.813 1.00 0.24 H new ATOM 0 HG22 ILE A 94 72.570 14.996 -10.077 1.00 0.24 H new ATOM 0 HG23 ILE A 94 74.274 15.478 -9.895 1.00 0.24 H new ATOM 0 HD11 ILE A 94 76.494 11.870 -9.426 1.00 0.23 H new ATOM 0 HD12 ILE A 94 74.789 11.358 -9.433 1.00 0.23 H new ATOM 0 HD13 ILE A 94 75.347 12.610 -10.568 1.00 0.23 H new ATOM 1401 N ASP A 95 71.831 16.520 -7.231 1.00 0.18 N ATOM 1402 CA ASP A 95 70.543 17.259 -7.370 1.00 0.18 C ATOM 1403 C ASP A 95 69.433 16.658 -6.492 1.00 0.18 C ATOM 1404 O ASP A 95 68.274 16.699 -6.851 1.00 0.18 O ATOM 1405 CB ASP A 95 70.107 17.236 -8.842 1.00 0.18 C ATOM 1406 CG ASP A 95 69.103 18.364 -9.107 1.00 0.19 C ATOM 1407 OD1 ASP A 95 68.520 18.849 -8.150 1.00 0.22 O ATOM 1408 OD2 ASP A 95 68.937 18.722 -10.263 1.00 0.22 O ATOM 0 H ASP A 95 72.593 17.065 -6.827 1.00 0.18 H new ATOM 0 HA ASP A 95 70.705 18.284 -7.035 1.00 0.18 H new ATOM 0 HB2 ASP A 95 70.976 17.352 -9.490 1.00 0.18 H new ATOM 0 HB3 ASP A 95 69.657 16.273 -9.082 1.00 0.18 H new ATOM 1413 N GLY A 96 69.755 16.126 -5.337 1.00 0.18 N ATOM 1414 CA GLY A 96 68.685 15.562 -4.455 1.00 0.18 C ATOM 1415 C GLY A 96 68.378 14.105 -4.821 1.00 0.18 C ATOM 1416 O GLY A 96 67.534 13.480 -4.211 1.00 0.19 O ATOM 0 H GLY A 96 70.704 16.058 -4.969 1.00 0.18 H new ATOM 0 HA2 GLY A 96 69.000 15.620 -3.413 1.00 0.18 H new ATOM 0 HA3 GLY A 96 67.780 16.162 -4.548 1.00 0.18 H new ATOM 1420 N THR A 97 69.053 13.554 -5.803 1.00 0.17 N ATOM 1421 CA THR A 97 68.795 12.126 -6.201 1.00 0.18 C ATOM 1422 C THR A 97 70.093 11.319 -6.080 1.00 0.17 C ATOM 1423 O THR A 97 71.151 11.763 -6.480 1.00 0.18 O ATOM 1424 CB THR A 97 68.283 12.094 -7.643 1.00 0.21 C ATOM 1425 OG1 THR A 97 66.999 12.709 -7.689 1.00 0.24 O ATOM 1426 CG2 THR A 97 68.181 10.645 -8.127 1.00 0.23 C ATOM 0 H THR A 97 69.772 14.029 -6.348 1.00 0.17 H new ATOM 0 HA THR A 97 68.045 11.685 -5.544 1.00 0.18 H new ATOM 0 HB THR A 97 68.974 12.633 -8.291 1.00 0.21 H new ATOM 0 HG1 THR A 97 66.662 12.695 -8.609 1.00 0.24 H new ATOM 0 HG21 THR A 97 67.816 10.629 -9.154 1.00 0.23 H new ATOM 0 HG22 THR A 97 69.164 10.177 -8.084 1.00 0.23 H new ATOM 0 HG23 THR A 97 67.490 10.096 -7.488 1.00 0.23 H new ATOM 1434 N LEU A 98 70.025 10.140 -5.511 1.00 0.17 N ATOM 1435 CA LEU A 98 71.263 9.318 -5.349 1.00 0.17 C ATOM 1436 C LEU A 98 71.677 8.707 -6.689 1.00 0.16 C ATOM 1437 O LEU A 98 70.857 8.225 -7.444 1.00 0.17 O ATOM 1438 CB LEU A 98 71.010 8.174 -4.361 1.00 0.18 C ATOM 1439 CG LEU A 98 70.552 8.712 -2.997 1.00 0.18 C ATOM 1440 CD1 LEU A 98 70.407 7.531 -2.032 1.00 0.22 C ATOM 1441 CD2 LEU A 98 71.585 9.710 -2.448 1.00 0.26 C ATOM 0 H LEU A 98 69.170 9.714 -5.154 1.00 0.17 H new ATOM 0 HA LEU A 98 72.054 9.970 -4.977 1.00 0.17 H new ATOM 0 HB2 LEU A 98 70.252 7.503 -4.764 1.00 0.18 H new ATOM 0 HB3 LEU A 98 71.921 7.588 -4.237 1.00 0.18 H new ATOM 0 HG LEU A 98 69.597 9.227 -3.105 1.00 0.18 H new ATOM 0 HD11 LEU A 98 70.082 7.895 -1.057 1.00 0.22 H new ATOM 0 HD12 LEU A 98 69.668 6.831 -2.422 1.00 0.22 H new ATOM 0 HD13 LEU A 98 71.367 7.026 -1.929 1.00 0.22 H new ATOM 0 HD21 LEU A 98 71.250 10.085 -1.481 1.00 0.26 H new ATOM 0 HD22 LEU A 98 72.547 9.211 -2.330 1.00 0.26 H new ATOM 0 HD23 LEU A 98 71.691 10.543 -3.143 1.00 0.26 H new ATOM 1453 N LYS A 99 72.957 8.698 -6.963 1.00 0.16 N ATOM 1454 CA LYS A 99 73.468 8.091 -8.229 1.00 0.16 C ATOM 1455 C LYS A 99 74.866 7.512 -7.975 1.00 0.16 C ATOM 1456 O LYS A 99 75.748 8.186 -7.474 1.00 0.18 O ATOM 1457 CB LYS A 99 73.535 9.159 -9.334 1.00 0.17 C ATOM 1458 CG LYS A 99 72.141 9.369 -9.936 1.00 0.19 C ATOM 1459 CD LYS A 99 72.202 10.431 -11.035 1.00 0.23 C ATOM 1460 CE LYS A 99 70.874 10.458 -11.794 1.00 0.66 C ATOM 1461 NZ LYS A 99 70.828 9.312 -12.746 1.00 1.38 N ATOM 0 H LYS A 99 73.677 9.090 -6.356 1.00 0.16 H new ATOM 0 HA LYS A 99 72.795 7.297 -8.552 1.00 0.16 H new ATOM 0 HB2 LYS A 99 73.910 10.097 -8.924 1.00 0.17 H new ATOM 0 HB3 LYS A 99 74.234 8.849 -10.111 1.00 0.17 H new ATOM 0 HG2 LYS A 99 71.767 8.431 -10.346 1.00 0.19 H new ATOM 0 HG3 LYS A 99 71.442 9.678 -9.158 1.00 0.19 H new ATOM 0 HD2 LYS A 99 72.404 11.409 -10.599 1.00 0.23 H new ATOM 0 HD3 LYS A 99 73.021 10.213 -11.721 1.00 0.23 H new ATOM 0 HE2 LYS A 99 70.041 10.398 -11.094 1.00 0.66 H new ATOM 0 HE3 LYS A 99 70.770 11.399 -12.334 1.00 0.66 H new ATOM 0 HZ1 LYS A 99 70.460 9.637 -13.663 1.00 1.38 H new ATOM 0 HZ2 LYS A 99 71.786 8.928 -12.874 1.00 1.38 H new ATOM 0 HZ3 LYS A 99 70.206 8.570 -12.366 1.00 1.38 H new ATOM 1475 N TYR A 100 75.073 6.269 -8.317 1.00 0.16 N ATOM 1476 CA TYR A 100 76.403 5.620 -8.109 1.00 0.17 C ATOM 1477 C TYR A 100 77.417 6.199 -9.102 1.00 0.21 C ATOM 1478 O TYR A 100 77.111 6.422 -10.256 1.00 0.22 O ATOM 1479 CB TYR A 100 76.263 4.116 -8.373 1.00 0.17 C ATOM 1480 CG TYR A 100 77.621 3.458 -8.304 1.00 0.19 C ATOM 1481 CD1 TYR A 100 78.456 3.467 -9.429 1.00 0.25 C ATOM 1482 CD2 TYR A 100 78.046 2.838 -7.121 1.00 0.19 C ATOM 1483 CE1 TYR A 100 79.714 2.858 -9.372 1.00 0.29 C ATOM 1484 CE2 TYR A 100 79.305 2.227 -7.067 1.00 0.24 C ATOM 1485 CZ TYR A 100 80.139 2.237 -8.191 1.00 0.28 C ATOM 1486 OH TYR A 100 81.377 1.631 -8.135 1.00 0.33 O ATOM 0 H TYR A 100 74.367 5.665 -8.738 1.00 0.16 H new ATOM 0 HA TYR A 100 76.743 5.800 -7.089 1.00 0.17 H new ATOM 0 HB2 TYR A 100 75.594 3.669 -7.638 1.00 0.17 H new ATOM 0 HB3 TYR A 100 75.817 3.949 -9.353 1.00 0.17 H new ATOM 0 HD1 TYR A 100 78.128 3.944 -10.341 1.00 0.25 H new ATOM 0 HD2 TYR A 100 77.404 2.831 -6.253 1.00 0.19 H new ATOM 0 HE1 TYR A 100 80.358 2.867 -10.239 1.00 0.29 H new ATOM 0 HE2 TYR A 100 79.633 1.747 -6.157 1.00 0.24 H new ATOM 0 HH TYR A 100 81.515 1.250 -7.243 1.00 0.33 H new ATOM 1496 N GLU A 101 78.632 6.431 -8.668 1.00 0.26 N ATOM 1497 CA GLU A 101 79.674 6.980 -9.589 1.00 0.33 C ATOM 1498 C GLU A 101 81.039 6.390 -9.221 1.00 0.40 C ATOM 1499 O GLU A 101 82.037 6.948 -9.645 1.00 1.14 O ATOM 1500 CB GLU A 101 79.716 8.508 -9.461 1.00 0.41 C ATOM 1501 CG GLU A 101 80.151 8.907 -8.046 1.00 0.45 C ATOM 1502 CD GLU A 101 80.104 10.431 -7.916 1.00 1.09 C ATOM 1503 OE1 GLU A 101 79.953 11.087 -8.934 1.00 1.69 O ATOM 1504 OE2 GLU A 101 80.221 10.916 -6.803 1.00 1.44 O ATOM 1505 OXT GLU A 101 81.061 5.391 -8.520 1.00 1.12 O ATOM 0 H GLU A 101 78.947 6.263 -7.713 1.00 0.26 H new ATOM 0 HA GLU A 101 79.432 6.713 -10.618 1.00 0.33 H new ATOM 0 HB2 GLU A 101 80.409 8.923 -10.193 1.00 0.41 H new ATOM 0 HB3 GLU A 101 78.733 8.926 -9.679 1.00 0.41 H new ATOM 0 HG2 GLU A 101 79.495 8.447 -7.308 1.00 0.45 H new ATOM 0 HG3 GLU A 101 81.159 8.544 -7.847 1.00 0.45 H new