USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 594 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 3 THR OG1 : rot 180:sc= -0.0589 USER MOD Single : A 4 GLN : amide:sc= 0.223 X(o=0.22,f=-0.17) USER MOD Single : A 16 ASN :FLIP amide:sc= -7.99! C(o=-9.3!,f=-8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0.236 (180deg=0.159) USER MOD Single : A 31 SER OG : rot 84:sc= -0.194 USER MOD Single : A 33 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 163:sc= -4.69! (180deg=-6.15!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0769) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 67 LYS NZ :NH3+ -172:sc= 1.2 (180deg=1.2) USER MOD Single : A 68 THR OG1 : rot -84:sc= 2.09 USER MOD Single : A 73 THR OG1 : rot 76:sc= -1.3! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -12:sc= -0.647! USER MOD Single : A 79 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-7.8e-05) USER MOD Single : A 80 GLN :FLIP amide:sc= -3.14 F(o=-4.8!,f=-3.1) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 10.681 -9.033 -0.272 1.00 0.54 N ATOM 24 CA THR A 3 10.170 -9.041 -1.600 1.00 0.48 C ATOM 25 C THR A 3 8.693 -8.606 -1.595 1.00 0.35 C ATOM 26 O THR A 3 8.127 -8.381 -0.530 1.00 0.35 O ATOM 27 CB THR A 3 10.356 -10.439 -2.275 1.00 0.59 C ATOM 28 OG1 THR A 3 10.010 -10.385 -3.670 1.00 0.66 O ATOM 29 CG2 THR A 3 9.517 -11.507 -1.575 1.00 0.66 C ATOM 0 HA THR A 3 10.738 -8.326 -2.196 1.00 0.48 H new ATOM 0 HB THR A 3 11.408 -10.708 -2.182 1.00 0.59 H new ATOM 0 HG1 THR A 3 10.135 -11.270 -4.073 1.00 0.66 H new ATOM 0 HG21 THR A 3 9.667 -12.468 -2.067 1.00 0.66 H new ATOM 0 HG22 THR A 3 9.821 -11.582 -0.531 1.00 0.66 H new ATOM 0 HG23 THR A 3 8.463 -11.234 -1.627 1.00 0.66 H new ATOM 37 N GLN A 4 8.107 -8.469 -2.775 1.00 0.32 N ATOM 38 CA GLN A 4 6.686 -8.167 -2.983 1.00 0.28 C ATOM 39 C GLN A 4 5.746 -9.050 -2.137 1.00 0.27 C ATOM 40 O GLN A 4 4.742 -8.556 -1.627 1.00 0.26 O ATOM 41 CB GLN A 4 6.374 -8.233 -4.494 1.00 0.33 C ATOM 42 CG GLN A 4 4.903 -8.134 -4.903 1.00 0.37 C ATOM 43 CD GLN A 4 4.238 -9.487 -5.084 1.00 0.39 C ATOM 44 OE1 GLN A 4 4.289 -10.063 -6.165 1.00 0.74 O ATOM 45 NE2 GLN A 4 3.566 -9.965 -4.080 1.00 0.48 N ATOM 0 H GLN A 4 8.621 -8.567 -3.650 1.00 0.32 H new ATOM 0 HA GLN A 4 6.493 -7.155 -2.628 1.00 0.28 H new ATOM 0 HB2 GLN A 4 6.918 -7.428 -4.988 1.00 0.33 H new ATOM 0 HB3 GLN A 4 6.771 -9.171 -4.882 1.00 0.33 H new ATOM 0 HG2 GLN A 4 4.360 -7.568 -4.146 1.00 0.37 H new ATOM 0 HG3 GLN A 4 4.829 -7.573 -5.835 1.00 0.37 H new ATOM 0 HE21 GLN A 4 3.544 -9.460 -3.194 1.00 0.48 H new ATOM 0 HE22 GLN A 4 3.060 -10.845 -4.178 1.00 0.48 H new ATOM 54 N GLU A 5 6.062 -10.337 -2.007 1.00 0.33 N ATOM 55 CA GLU A 5 5.289 -11.266 -1.155 1.00 0.40 C ATOM 56 C GLU A 5 5.236 -10.846 0.313 1.00 0.39 C ATOM 57 O GLU A 5 4.378 -11.276 1.060 1.00 0.55 O ATOM 58 CB GLU A 5 5.746 -12.712 -1.313 1.00 0.57 C ATOM 59 CG GLU A 5 5.266 -13.347 -2.603 1.00 0.85 C ATOM 60 CD GLU A 5 3.754 -13.374 -2.684 1.00 1.88 C ATOM 61 OE1 GLU A 5 3.121 -14.257 -2.084 1.00 2.37 O ATOM 62 OE2 GLU A 5 3.165 -12.533 -3.371 1.00 2.66 O ATOM 0 H GLU A 5 6.853 -10.772 -2.481 1.00 0.33 H new ATOM 0 HA GLU A 5 4.264 -11.207 -1.521 1.00 0.40 H new ATOM 0 HB2 GLU A 5 6.835 -12.749 -1.279 1.00 0.57 H new ATOM 0 HB3 GLU A 5 5.381 -13.297 -0.469 1.00 0.57 H new ATOM 0 HG2 GLU A 5 5.666 -12.793 -3.452 1.00 0.85 H new ATOM 0 HG3 GLU A 5 5.653 -14.364 -2.674 1.00 0.85 H new ATOM 69 N GLU A 6 6.177 -10.060 0.728 1.00 0.36 N ATOM 70 CA GLU A 6 6.163 -9.498 2.059 1.00 0.42 C ATOM 71 C GLU A 6 5.204 -8.319 2.083 1.00 0.32 C ATOM 72 O GLU A 6 4.403 -8.160 3.000 1.00 0.37 O ATOM 73 CB GLU A 6 7.571 -9.010 2.406 1.00 0.55 C ATOM 74 CG GLU A 6 7.680 -8.176 3.665 1.00 0.82 C ATOM 75 CD GLU A 6 9.053 -7.600 3.828 1.00 1.75 C ATOM 76 OE1 GLU A 6 9.351 -6.559 3.216 1.00 2.73 O ATOM 77 OE2 GLU A 6 9.864 -8.150 4.584 1.00 2.05 O ATOM 0 H GLU A 6 6.980 -9.784 0.162 1.00 0.36 H new ATOM 0 HA GLU A 6 5.845 -10.249 2.782 1.00 0.42 H new ATOM 0 HB2 GLU A 6 8.222 -9.878 2.508 1.00 0.55 H new ATOM 0 HB3 GLU A 6 7.950 -8.424 1.569 1.00 0.55 H new ATOM 0 HG2 GLU A 6 6.948 -7.369 3.632 1.00 0.82 H new ATOM 0 HG3 GLU A 6 7.438 -8.791 4.532 1.00 0.82 H new ATOM 84 N ILE A 7 5.243 -7.560 1.013 1.00 0.21 N ATOM 85 CA ILE A 7 4.591 -6.295 0.937 1.00 0.16 C ATOM 86 C ILE A 7 3.084 -6.452 0.734 1.00 0.14 C ATOM 87 O ILE A 7 2.317 -6.141 1.607 1.00 0.18 O ATOM 88 CB ILE A 7 5.200 -5.538 -0.246 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.720 -5.451 -0.057 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.591 -4.155 -0.340 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.486 -4.996 -1.279 1.00 0.23 C ATOM 0 H ILE A 7 5.741 -7.819 0.161 1.00 0.21 H new ATOM 0 HA ILE A 7 4.734 -5.752 1.871 1.00 0.16 H new ATOM 0 HB ILE A 7 4.988 -6.068 -1.175 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.931 -4.765 0.763 1.00 0.18 H new ATOM 0 HG13 ILE A 7 7.091 -6.431 0.243 1.00 0.18 H new ATOM 0 HG21 ILE A 7 5.029 -3.621 -1.184 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.514 -4.241 -0.484 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.792 -3.606 0.580 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.551 -4.965 -1.050 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.311 -5.693 -2.099 1.00 0.23 H new ATOM 0 HD13 ILE A 7 7.149 -4.001 -1.570 1.00 0.23 H new ATOM 103 N VAL A 8 2.687 -6.969 -0.391 1.00 0.13 N ATOM 104 CA VAL A 8 1.266 -7.132 -0.714 1.00 0.15 C ATOM 105 C VAL A 8 0.549 -7.950 0.334 1.00 0.18 C ATOM 106 O VAL A 8 -0.512 -7.547 0.807 1.00 0.25 O ATOM 107 CB VAL A 8 1.076 -7.746 -2.112 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.393 -7.853 -2.480 1.00 0.27 C ATOM 109 CG2 VAL A 8 1.818 -6.931 -3.132 1.00 0.17 C ATOM 0 H VAL A 8 3.322 -7.294 -1.120 1.00 0.13 H new ATOM 0 HA VAL A 8 0.821 -6.137 -0.721 1.00 0.15 H new ATOM 0 HB VAL A 8 1.482 -8.757 -2.097 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.488 -8.291 -3.474 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.905 -8.485 -1.754 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.842 -6.860 -2.477 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.680 -7.371 -4.120 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.434 -5.911 -3.132 1.00 0.17 H new ATOM 0 HG23 VAL A 8 2.880 -6.919 -2.886 1.00 0.17 H new ATOM 119 N ALA A 9 1.139 -9.059 0.709 1.00 0.18 N ATOM 120 CA ALA A 9 0.590 -9.918 1.735 1.00 0.22 C ATOM 121 C ALA A 9 0.341 -9.167 3.047 1.00 0.21 C ATOM 122 O ALA A 9 -0.649 -9.418 3.732 1.00 0.27 O ATOM 123 CB ALA A 9 1.509 -11.079 1.988 1.00 0.26 C ATOM 0 H ALA A 9 2.016 -9.394 0.311 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.371 -10.279 1.369 1.00 0.22 H new ATOM 0 HB1 ALA A 9 1.084 -11.718 2.762 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.630 -11.654 1.070 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.481 -10.709 2.316 1.00 0.26 H new ATOM 129 N GLY A 10 1.217 -8.233 3.370 1.00 0.18 N ATOM 130 CA GLY A 10 1.101 -7.520 4.577 1.00 0.18 C ATOM 131 C GLY A 10 0.173 -6.364 4.460 1.00 0.15 C ATOM 132 O GLY A 10 -0.677 -6.154 5.315 1.00 0.16 O ATOM 0 H GLY A 10 2.014 -7.967 2.792 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.747 -8.190 5.360 1.00 0.18 H new ATOM 0 HA3 GLY A 10 2.085 -7.164 4.883 1.00 0.18 H new ATOM 136 N LEU A 11 0.313 -5.649 3.373 1.00 0.14 N ATOM 137 CA LEU A 11 -0.444 -4.470 3.077 1.00 0.13 C ATOM 138 C LEU A 11 -1.920 -4.829 3.000 1.00 0.14 C ATOM 139 O LEU A 11 -2.766 -4.098 3.501 1.00 0.16 O ATOM 140 CB LEU A 11 0.043 -3.922 1.746 1.00 0.13 C ATOM 141 CG LEU A 11 0.306 -2.422 1.648 1.00 0.15 C ATOM 142 CD1 LEU A 11 0.903 -2.096 0.291 1.00 0.18 C ATOM 143 CD2 LEU A 11 -0.964 -1.641 1.847 1.00 0.20 C ATOM 0 H LEU A 11 0.986 -5.886 2.644 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.313 -3.716 3.853 1.00 0.13 H new ATOM 0 HB2 LEU A 11 0.966 -4.441 1.487 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.694 -4.183 0.986 1.00 0.13 H new ATOM 0 HG LEU A 11 1.008 -2.142 2.433 1.00 0.15 H new ATOM 0 HD11 LEU A 11 1.090 -1.024 0.224 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.841 -2.636 0.167 1.00 0.18 H new ATOM 0 HD13 LEU A 11 0.207 -2.393 -0.494 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -0.751 -0.575 1.773 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.687 -1.921 1.081 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.376 -1.861 2.832 1.00 0.20 H new ATOM 155 N ALA A 12 -2.209 -5.992 2.400 1.00 0.12 N ATOM 156 CA ALA A 12 -3.558 -6.511 2.305 1.00 0.13 C ATOM 157 C ALA A 12 -4.157 -6.629 3.674 1.00 0.11 C ATOM 158 O ALA A 12 -5.249 -6.132 3.910 1.00 0.13 O ATOM 159 CB ALA A 12 -3.561 -7.873 1.649 1.00 0.14 C ATOM 0 H ALA A 12 -1.505 -6.592 1.970 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.146 -5.821 1.700 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.584 -8.245 1.587 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.142 -7.795 0.646 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -2.959 -8.563 2.240 1.00 0.14 H new ATOM 165 N GLU A 13 -3.400 -7.224 4.587 1.00 0.12 N ATOM 166 CA GLU A 13 -3.850 -7.457 5.946 1.00 0.13 C ATOM 167 C GLU A 13 -4.110 -6.180 6.685 1.00 0.15 C ATOM 168 O GLU A 13 -5.023 -6.100 7.514 1.00 0.19 O ATOM 169 CB GLU A 13 -2.895 -8.336 6.710 1.00 0.18 C ATOM 170 CG GLU A 13 -2.802 -9.737 6.169 1.00 0.23 C ATOM 171 CD GLU A 13 -1.885 -10.615 6.987 1.00 0.36 C ATOM 172 OE1 GLU A 13 -1.212 -10.092 7.915 1.00 0.52 O ATOM 173 OE2 GLU A 13 -1.788 -11.847 6.702 1.00 0.68 O ATOM 0 H GLU A 13 -2.454 -7.558 4.401 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.800 -7.986 5.868 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -1.904 -7.882 6.693 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -3.208 -8.378 7.753 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.798 -10.180 6.145 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.444 -9.702 5.140 1.00 0.23 H new ATOM 180 N ILE A 14 -3.335 -5.190 6.388 1.00 0.14 N ATOM 181 CA ILE A 14 -3.532 -3.892 6.982 1.00 0.17 C ATOM 182 C ILE A 14 -4.851 -3.277 6.454 1.00 0.18 C ATOM 183 O ILE A 14 -5.637 -2.706 7.208 1.00 0.22 O ATOM 184 CB ILE A 14 -2.342 -2.979 6.661 1.00 0.21 C ATOM 185 CG1 ILE A 14 -1.054 -3.651 7.123 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.508 -1.646 7.365 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.191 -3.022 6.583 1.00 0.25 C ATOM 0 H ILE A 14 -2.553 -5.247 5.735 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.600 -3.995 8.065 1.00 0.17 H new ATOM 0 HB ILE A 14 -2.298 -2.806 5.586 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -1.016 -3.629 8.212 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -1.077 -4.699 6.826 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.659 -1.003 7.132 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.428 -1.168 7.028 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.557 -1.807 8.442 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.062 -3.559 6.959 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.179 -3.067 5.494 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.241 -1.981 6.902 1.00 0.25 H new ATOM 199 N VAL A 15 -5.125 -3.485 5.169 1.00 0.15 N ATOM 200 CA VAL A 15 -6.316 -2.932 4.525 1.00 0.17 C ATOM 201 C VAL A 15 -7.566 -3.672 5.002 1.00 0.18 C ATOM 202 O VAL A 15 -8.697 -3.133 4.969 1.00 0.22 O ATOM 203 CB VAL A 15 -6.222 -2.975 2.968 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.453 -2.396 2.320 1.00 0.27 C ATOM 205 CG2 VAL A 15 -5.020 -2.217 2.494 1.00 0.23 C ATOM 0 H VAL A 15 -4.534 -4.037 4.548 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.383 -1.883 4.814 1.00 0.17 H new ATOM 0 HB VAL A 15 -6.137 -4.023 2.681 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.350 -2.444 1.236 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.329 -2.968 2.627 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.572 -1.357 2.628 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -4.970 -2.257 1.406 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -5.095 -1.178 2.815 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -4.119 -2.663 2.915 1.00 0.23 H new ATOM 215 N ASN A 16 -7.363 -4.895 5.460 1.00 0.16 N ATOM 216 CA ASN A 16 -8.459 -5.695 6.031 1.00 0.20 C ATOM 217 C ASN A 16 -8.989 -4.988 7.261 1.00 0.25 C ATOM 218 O ASN A 16 -10.178 -4.985 7.524 1.00 0.34 O ATOM 219 CB ASN A 16 -8.022 -7.118 6.466 1.00 0.20 C ATOM 220 CG ASN A 16 -7.273 -7.918 5.455 1.00 0.19 C ATOM 221 OD1 ASN A 16 -7.532 -7.696 4.235 1.00 0.21 O flip ATOM 222 ND2 ASN A 16 -6.474 -8.761 5.789 1.00 0.27 N flip ATOM 0 H ASN A 16 -6.457 -5.364 5.453 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.210 -5.798 5.248 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -7.402 -7.028 7.358 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -8.913 -7.677 6.752 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -6.284 -8.920 6.778 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -5.990 -9.314 5.081 1.00 0.27 H new ATOM 229 N GLU A 17 -8.081 -4.399 8.006 1.00 0.26 N ATOM 230 CA GLU A 17 -8.415 -3.686 9.227 1.00 0.35 C ATOM 231 C GLU A 17 -8.852 -2.252 8.958 1.00 0.38 C ATOM 232 O GLU A 17 -9.843 -1.783 9.504 1.00 0.47 O ATOM 233 CB GLU A 17 -7.233 -3.711 10.173 1.00 0.41 C ATOM 234 CG GLU A 17 -6.787 -5.110 10.518 1.00 0.46 C ATOM 235 CD GLU A 17 -7.926 -5.941 11.032 1.00 1.22 C ATOM 236 OE1 GLU A 17 -8.388 -5.694 12.166 1.00 1.35 O ATOM 237 OE2 GLU A 17 -8.366 -6.873 10.337 1.00 2.07 O ATOM 0 H GLU A 17 -7.085 -4.399 7.785 1.00 0.26 H new ATOM 0 HA GLU A 17 -9.263 -4.195 9.686 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -6.401 -3.171 9.721 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -7.496 -3.183 11.089 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -6.359 -5.584 9.635 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -5.999 -5.066 11.270 1.00 0.46 H new ATOM 244 N ILE A 18 -8.072 -1.561 8.139 1.00 0.32 N ATOM 245 CA ILE A 18 -8.324 -0.165 7.760 1.00 0.38 C ATOM 246 C ILE A 18 -9.741 0.015 7.187 1.00 0.39 C ATOM 247 O ILE A 18 -10.503 0.883 7.638 1.00 0.43 O ATOM 248 CB ILE A 18 -7.248 0.297 6.719 1.00 0.45 C ATOM 249 CG1 ILE A 18 -5.867 0.405 7.382 1.00 0.47 C ATOM 250 CG2 ILE A 18 -7.614 1.616 6.043 1.00 0.65 C ATOM 251 CD1 ILE A 18 -5.742 1.511 8.404 1.00 0.58 C ATOM 0 H ILE A 18 -7.234 -1.953 7.710 1.00 0.32 H new ATOM 0 HA ILE A 18 -8.252 0.454 8.654 1.00 0.38 H new ATOM 0 HB ILE A 18 -7.216 -0.465 5.940 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -5.635 -0.545 7.864 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -5.117 0.560 6.606 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.834 1.889 5.332 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -8.562 1.504 5.517 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -7.707 2.398 6.797 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -4.734 1.511 8.819 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -5.938 2.471 7.927 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -6.464 1.350 9.205 1.00 0.58 H new ATOM 263 N ALA A 19 -10.087 -0.789 6.207 1.00 0.39 N ATOM 264 CA ALA A 19 -11.383 -0.680 5.576 1.00 0.44 C ATOM 265 C ALA A 19 -12.177 -1.954 5.755 1.00 0.41 C ATOM 266 O ALA A 19 -13.272 -1.947 6.314 1.00 0.54 O ATOM 267 CB ALA A 19 -11.226 -0.358 4.108 1.00 0.48 C ATOM 0 H ALA A 19 -9.490 -1.525 5.830 1.00 0.39 H new ATOM 0 HA ALA A 19 -11.930 0.132 6.056 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -12.210 -0.279 3.646 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -10.696 0.588 3.998 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -10.659 -1.151 3.620 1.00 0.48 H new ATOM 273 N GLY A 20 -11.613 -3.046 5.320 1.00 0.34 N ATOM 274 CA GLY A 20 -12.302 -4.306 5.414 1.00 0.33 C ATOM 275 C GLY A 20 -12.184 -5.109 4.165 1.00 0.32 C ATOM 276 O GLY A 20 -13.152 -5.711 3.704 1.00 0.43 O ATOM 0 H GLY A 20 -10.685 -3.091 4.899 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -11.898 -4.877 6.250 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.355 -4.127 5.630 1.00 0.33 H new ATOM 280 N ILE A 21 -11.011 -5.095 3.590 1.00 0.27 N ATOM 281 CA ILE A 21 -10.740 -5.888 2.424 1.00 0.26 C ATOM 282 C ILE A 21 -10.570 -7.337 2.839 1.00 0.25 C ATOM 283 O ILE A 21 -10.134 -7.600 3.928 1.00 0.24 O ATOM 284 CB ILE A 21 -9.491 -5.334 1.645 1.00 0.25 C ATOM 285 CG1 ILE A 21 -9.928 -4.374 0.524 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.556 -6.423 1.111 1.00 0.31 C ATOM 287 CD1 ILE A 21 -10.759 -3.195 0.984 1.00 0.29 C ATOM 0 H ILE A 21 -10.222 -4.537 3.915 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.580 -5.828 1.732 1.00 0.26 H new ATOM 0 HB ILE A 21 -8.903 -4.781 2.377 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -9.038 -3.998 0.020 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -10.499 -4.937 -0.215 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -7.720 -5.960 0.587 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -8.178 -7.018 1.942 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -9.103 -7.067 0.423 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -11.019 -2.576 0.125 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.671 -3.556 1.460 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -10.187 -2.603 1.698 1.00 0.29 H new ATOM 299 N PRO A 22 -10.956 -8.279 2.003 1.00 0.29 N ATOM 300 CA PRO A 22 -10.848 -9.718 2.302 1.00 0.35 C ATOM 301 C PRO A 22 -9.471 -10.329 1.960 1.00 0.45 C ATOM 302 O PRO A 22 -9.399 -11.478 1.533 1.00 1.08 O ATOM 303 CB PRO A 22 -11.882 -10.324 1.363 1.00 0.37 C ATOM 304 CG PRO A 22 -12.602 -9.177 0.731 1.00 0.44 C ATOM 305 CD PRO A 22 -11.644 -8.058 0.736 1.00 0.34 C ATOM 0 HA PRO A 22 -10.990 -9.905 3.366 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -11.403 -10.946 0.607 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.575 -10.964 1.909 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -12.914 -9.421 -0.284 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -13.503 -8.924 1.289 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -10.963 -8.096 -0.114 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -12.143 -7.089 0.702 1.00 0.34 H new ATOM 313 N VAL A 23 -8.415 -9.543 2.135 1.00 0.39 N ATOM 314 CA VAL A 23 -6.961 -9.901 1.926 1.00 0.32 C ATOM 315 C VAL A 23 -6.569 -10.423 0.509 1.00 0.42 C ATOM 316 O VAL A 23 -5.410 -10.378 0.125 1.00 0.81 O ATOM 317 CB VAL A 23 -6.355 -10.801 3.088 1.00 0.31 C ATOM 318 CG1 VAL A 23 -6.865 -12.231 3.072 1.00 0.41 C ATOM 319 CG2 VAL A 23 -4.839 -10.766 3.119 1.00 0.33 C ATOM 0 H VAL A 23 -8.525 -8.577 2.444 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.477 -8.926 1.983 1.00 0.32 H new ATOM 0 HB VAL A 23 -6.717 -10.349 4.012 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.411 -12.788 3.891 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -7.949 -12.232 3.189 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -6.602 -12.700 2.124 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.477 -11.397 3.931 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.447 -11.134 2.171 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.502 -9.742 3.278 1.00 0.33 H new ATOM 329 N GLU A 24 -7.528 -10.810 -0.270 1.00 0.33 N ATOM 330 CA GLU A 24 -7.273 -11.380 -1.582 1.00 0.40 C ATOM 331 C GLU A 24 -7.382 -10.333 -2.678 1.00 0.34 C ATOM 332 O GLU A 24 -6.845 -10.504 -3.764 1.00 0.44 O ATOM 333 CB GLU A 24 -8.284 -12.490 -1.855 1.00 0.57 C ATOM 334 CG GLU A 24 -9.731 -12.004 -1.861 1.00 1.36 C ATOM 335 CD GLU A 24 -10.707 -13.081 -2.183 1.00 1.86 C ATOM 336 OE1 GLU A 24 -10.953 -13.330 -3.373 1.00 2.20 O ATOM 337 OE2 GLU A 24 -11.235 -13.711 -1.254 1.00 2.31 O ATOM 0 H GLU A 24 -8.516 -10.745 -0.027 1.00 0.33 H new ATOM 0 HA GLU A 24 -6.257 -11.775 -1.585 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -8.058 -12.948 -2.818 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -8.173 -13.267 -1.099 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -9.971 -11.584 -0.884 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -9.835 -11.199 -2.588 1.00 1.36 H new ATOM 344 N ASP A 25 -8.035 -9.228 -2.369 1.00 0.28 N ATOM 345 CA ASP A 25 -8.372 -8.254 -3.409 1.00 0.29 C ATOM 346 C ASP A 25 -7.233 -7.315 -3.639 1.00 0.25 C ATOM 347 O ASP A 25 -7.078 -6.744 -4.732 1.00 0.28 O ATOM 348 CB ASP A 25 -9.633 -7.489 -3.047 1.00 0.35 C ATOM 349 CG ASP A 25 -10.155 -6.649 -4.187 1.00 0.94 C ATOM 350 OD1 ASP A 25 -10.146 -7.125 -5.351 1.00 1.59 O ATOM 351 OD2 ASP A 25 -10.587 -5.522 -3.942 1.00 1.57 O ATOM 0 H ASP A 25 -8.341 -8.979 -1.428 1.00 0.28 H new ATOM 0 HA ASP A 25 -8.561 -8.798 -4.335 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -10.405 -8.194 -2.739 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.429 -6.845 -2.191 1.00 0.35 H new ATOM 356 N VAL A 26 -6.419 -7.177 -2.614 1.00 0.23 N ATOM 357 CA VAL A 26 -5.232 -6.339 -2.682 1.00 0.22 C ATOM 358 C VAL A 26 -4.211 -7.048 -3.554 1.00 0.25 C ATOM 359 O VAL A 26 -3.511 -7.960 -3.111 1.00 0.30 O ATOM 360 CB VAL A 26 -4.633 -6.058 -1.270 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.452 -5.095 -1.341 1.00 0.24 C ATOM 362 CG2 VAL A 26 -5.681 -5.486 -0.357 1.00 0.27 C ATOM 0 H VAL A 26 -6.556 -7.637 -1.714 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.502 -5.372 -3.106 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.281 -7.011 -0.875 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.061 -4.924 -0.338 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.669 -5.524 -1.967 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -3.780 -4.148 -1.769 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.245 -5.296 0.624 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.056 -4.552 -0.774 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.503 -6.195 -0.258 1.00 0.27 H new ATOM 372 N LYS A 27 -4.251 -6.718 -4.809 1.00 0.28 N ATOM 373 CA LYS A 27 -3.404 -7.287 -5.798 1.00 0.35 C ATOM 374 C LYS A 27 -2.732 -6.110 -6.452 1.00 0.37 C ATOM 375 O LYS A 27 -3.241 -4.997 -6.341 1.00 0.72 O ATOM 376 CB LYS A 27 -4.272 -8.019 -6.832 1.00 0.40 C ATOM 377 CG LYS A 27 -3.574 -9.154 -7.559 1.00 0.83 C ATOM 378 CD LYS A 27 -3.254 -10.300 -6.604 1.00 1.13 C ATOM 379 CE LYS A 27 -4.527 -10.953 -6.067 1.00 1.15 C ATOM 380 NZ LYS A 27 -4.234 -11.995 -5.066 1.00 1.58 N ATOM 0 H LYS A 27 -4.898 -6.022 -5.179 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.686 -7.996 -5.384 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -5.154 -8.416 -6.329 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -4.623 -7.296 -7.568 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -4.208 -9.517 -8.368 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -2.654 -8.788 -8.014 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -2.650 -11.047 -7.120 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -2.657 -9.926 -5.772 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -5.165 -10.190 -5.620 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -5.086 -11.392 -6.894 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -5.125 -12.412 -4.728 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -3.647 -12.736 -5.498 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -3.723 -11.573 -4.264 1.00 1.58 H new ATOM 394 N LEU A 28 -1.637 -6.310 -7.115 1.00 0.24 N ATOM 395 CA LEU A 28 -0.961 -5.221 -7.753 1.00 0.22 C ATOM 396 C LEU A 28 -1.836 -4.647 -8.838 1.00 0.23 C ATOM 397 O LEU A 28 -2.684 -5.350 -9.406 1.00 0.31 O ATOM 398 CB LEU A 28 0.435 -5.591 -8.301 1.00 0.27 C ATOM 399 CG LEU A 28 1.543 -5.932 -7.281 1.00 0.43 C ATOM 400 CD1 LEU A 28 1.323 -7.281 -6.622 1.00 1.05 C ATOM 401 CD2 LEU A 28 2.909 -5.872 -7.939 1.00 1.05 C ATOM 0 H LEU A 28 -1.190 -7.219 -7.230 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.780 -4.467 -6.987 1.00 0.22 H new ATOM 0 HB2 LEU A 28 0.317 -6.447 -8.966 1.00 0.27 H new ATOM 0 HB3 LEU A 28 0.786 -4.759 -8.911 1.00 0.27 H new ATOM 0 HG LEU A 28 1.498 -5.181 -6.492 1.00 0.43 H new ATOM 0 HD11 LEU A 28 2.128 -7.475 -5.913 1.00 1.05 H new ATOM 0 HD12 LEU A 28 0.369 -7.277 -6.095 1.00 1.05 H new ATOM 0 HD13 LEU A 28 1.314 -8.061 -7.384 1.00 1.05 H new ATOM 0 HD21 LEU A 28 3.677 -6.115 -7.205 1.00 1.05 H new ATOM 0 HD22 LEU A 28 2.950 -6.590 -8.758 1.00 1.05 H new ATOM 0 HD23 LEU A 28 3.082 -4.868 -8.327 1.00 1.05 H new ATOM 413 N ASP A 29 -1.677 -3.356 -9.042 1.00 0.24 N ATOM 414 CA ASP A 29 -2.440 -2.566 -10.012 1.00 0.31 C ATOM 415 C ASP A 29 -3.852 -2.265 -9.477 1.00 0.28 C ATOM 416 O ASP A 29 -4.700 -1.751 -10.171 1.00 0.38 O ATOM 417 CB ASP A 29 -2.445 -3.225 -11.411 1.00 0.42 C ATOM 418 CG ASP A 29 -3.028 -2.352 -12.503 1.00 0.60 C ATOM 419 OD1 ASP A 29 -2.413 -1.315 -12.845 1.00 0.72 O ATOM 420 OD2 ASP A 29 -4.118 -2.687 -13.036 1.00 0.70 O ATOM 0 H ASP A 29 -0.994 -2.801 -8.526 1.00 0.24 H new ATOM 0 HA ASP A 29 -1.941 -1.606 -10.143 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -1.422 -3.490 -11.680 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -3.013 -4.154 -11.361 1.00 0.42 H new ATOM 425 N LYS A 30 -4.067 -2.536 -8.187 1.00 0.19 N ATOM 426 CA LYS A 30 -5.328 -2.186 -7.561 1.00 0.20 C ATOM 427 C LYS A 30 -5.159 -0.916 -6.817 1.00 0.20 C ATOM 428 O LYS A 30 -4.361 -0.824 -5.901 1.00 0.24 O ATOM 429 CB LYS A 30 -5.863 -3.194 -6.586 1.00 0.28 C ATOM 430 CG LYS A 30 -6.271 -4.550 -7.128 1.00 0.36 C ATOM 431 CD LYS A 30 -7.459 -4.467 -8.059 1.00 0.45 C ATOM 432 CE LYS A 30 -7.888 -5.854 -8.499 1.00 0.79 C ATOM 433 NZ LYS A 30 -8.360 -6.683 -7.355 1.00 1.48 N ATOM 0 H LYS A 30 -3.392 -2.989 -7.571 1.00 0.19 H new ATOM 0 HA LYS A 30 -6.042 -2.123 -8.382 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -5.105 -3.353 -5.819 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.730 -2.755 -6.092 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.429 -4.995 -7.658 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.510 -5.213 -6.297 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -8.287 -3.966 -7.558 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -7.203 -3.865 -8.931 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -8.685 -5.769 -9.238 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -7.052 -6.354 -8.988 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -8.738 -7.584 -7.712 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -7.565 -6.871 -6.712 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -9.107 -6.173 -6.842 1.00 1.48 H new ATOM 447 N SER A 31 -5.942 -0.016 -7.164 1.00 0.20 N ATOM 448 CA SER A 31 -5.923 1.374 -6.720 1.00 0.34 C ATOM 449 C SER A 31 -6.487 1.610 -5.304 1.00 0.53 C ATOM 450 O SER A 31 -6.962 2.699 -5.024 1.00 1.25 O ATOM 451 CB SER A 31 -6.720 2.172 -7.724 1.00 0.36 C ATOM 452 OG SER A 31 -6.193 2.010 -9.027 1.00 0.86 O ATOM 0 H SER A 31 -6.699 -0.196 -7.824 1.00 0.20 H new ATOM 0 HA SER A 31 -4.880 1.686 -6.661 1.00 0.34 H new ATOM 0 HB2 SER A 31 -7.762 1.851 -7.706 1.00 0.36 H new ATOM 0 HB3 SER A 31 -6.706 3.227 -7.450 1.00 0.36 H new ATOM 0 HG SER A 31 -6.549 1.188 -9.424 1.00 0.86 H new ATOM 458 N PHE A 32 -6.394 0.603 -4.434 1.00 0.29 N ATOM 459 CA PHE A 32 -6.841 0.660 -3.044 1.00 0.28 C ATOM 460 C PHE A 32 -8.216 1.309 -2.866 1.00 0.26 C ATOM 461 O PHE A 32 -9.239 0.651 -3.028 1.00 0.40 O ATOM 462 CB PHE A 32 -5.808 1.311 -2.137 1.00 0.40 C ATOM 463 CG PHE A 32 -4.545 0.541 -1.904 1.00 0.35 C ATOM 464 CD1 PHE A 32 -4.468 -0.393 -0.903 1.00 0.38 C ATOM 465 CD2 PHE A 32 -3.439 0.732 -2.718 1.00 0.35 C ATOM 466 CE1 PHE A 32 -3.321 -1.113 -0.710 1.00 0.40 C ATOM 467 CE2 PHE A 32 -2.296 0.016 -2.527 1.00 0.34 C ATOM 468 CZ PHE A 32 -2.208 -0.843 -1.432 1.00 0.36 C ATOM 0 H PHE A 32 -5.994 -0.301 -4.686 1.00 0.29 H new ATOM 0 HA PHE A 32 -6.952 -0.380 -2.739 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.544 2.280 -2.561 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -6.274 1.502 -1.171 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -5.320 -0.562 -0.261 1.00 0.38 H new ATOM 0 HD2 PHE A 32 -3.484 1.459 -3.515 1.00 0.35 H new ATOM 0 HE1 PHE A 32 -3.303 -1.904 0.025 1.00 0.40 H new ATOM 0 HE2 PHE A 32 -1.469 0.112 -3.215 1.00 0.34 H new ATOM 0 HZ PHE A 32 -1.262 -1.288 -1.163 1.00 0.36 H new ATOM 478 N THR A 33 -8.235 2.601 -2.615 1.00 0.28 N ATOM 479 CA THR A 33 -9.464 3.364 -2.435 1.00 0.36 C ATOM 480 C THR A 33 -10.150 3.664 -3.807 1.00 0.45 C ATOM 481 O THR A 33 -10.673 4.756 -4.062 1.00 1.06 O ATOM 482 CB THR A 33 -9.188 4.674 -1.624 1.00 0.61 C ATOM 483 OG1 THR A 33 -10.393 5.402 -1.360 1.00 1.01 O ATOM 484 CG2 THR A 33 -8.196 5.575 -2.328 1.00 0.78 C ATOM 0 H THR A 33 -7.389 3.164 -2.528 1.00 0.28 H new ATOM 0 HA THR A 33 -10.160 2.758 -1.856 1.00 0.36 H new ATOM 0 HB THR A 33 -8.757 4.357 -0.674 1.00 0.61 H new ATOM 0 HG1 THR A 33 -10.839 5.022 -0.574 1.00 1.01 H new ATOM 0 HG21 THR A 33 -8.033 6.473 -1.732 1.00 0.78 H new ATOM 0 HG22 THR A 33 -7.251 5.047 -2.455 1.00 0.78 H new ATOM 0 HG23 THR A 33 -8.589 5.855 -3.305 1.00 0.78 H new ATOM 492 N ASP A 34 -10.201 2.662 -4.646 1.00 0.32 N ATOM 493 CA ASP A 34 -10.855 2.775 -5.924 1.00 0.34 C ATOM 494 C ASP A 34 -11.188 1.407 -6.418 1.00 0.35 C ATOM 495 O ASP A 34 -12.338 1.085 -6.670 1.00 0.50 O ATOM 496 CB ASP A 34 -9.979 3.482 -6.945 1.00 0.38 C ATOM 497 CG ASP A 34 -10.736 3.793 -8.202 1.00 0.96 C ATOM 498 OD1 ASP A 34 -11.518 4.761 -8.232 1.00 1.04 O ATOM 499 OD2 ASP A 34 -10.566 3.051 -9.183 1.00 1.74 O ATOM 0 H ASP A 34 -9.791 1.746 -4.463 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.760 3.369 -5.795 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.592 4.406 -6.515 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -9.119 2.856 -7.183 1.00 0.38 H new ATOM 504 N ASP A 35 -10.171 0.579 -6.496 1.00 0.30 N ATOM 505 CA ASP A 35 -10.337 -0.785 -6.974 1.00 0.32 C ATOM 506 C ASP A 35 -10.783 -1.709 -5.885 1.00 0.35 C ATOM 507 O ASP A 35 -11.540 -2.628 -6.125 1.00 0.52 O ATOM 508 CB ASP A 35 -9.060 -1.335 -7.593 1.00 0.31 C ATOM 509 CG ASP A 35 -8.751 -0.796 -8.956 1.00 0.81 C ATOM 510 OD1 ASP A 35 -9.576 -0.921 -9.864 1.00 1.29 O ATOM 511 OD2 ASP A 35 -7.671 -0.269 -9.137 1.00 1.10 O ATOM 0 H ASP A 35 -9.215 0.822 -6.235 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.110 -0.736 -7.741 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.224 -1.113 -6.930 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -9.139 -2.420 -7.654 1.00 0.31 H new ATOM 516 N LEU A 36 -10.312 -1.469 -4.679 1.00 0.30 N ATOM 517 CA LEU A 36 -10.642 -2.343 -3.580 1.00 0.33 C ATOM 518 C LEU A 36 -11.974 -1.918 -2.982 1.00 0.39 C ATOM 519 O LEU A 36 -13.018 -2.372 -3.435 1.00 0.81 O ATOM 520 CB LEU A 36 -9.546 -2.334 -2.494 1.00 0.33 C ATOM 521 CG LEU A 36 -8.106 -2.530 -2.950 1.00 0.33 C ATOM 522 CD1 LEU A 36 -7.165 -2.572 -1.767 1.00 0.36 C ATOM 523 CD2 LEU A 36 -7.953 -3.757 -3.791 1.00 0.36 C ATOM 0 H LEU A 36 -9.706 -0.684 -4.439 1.00 0.30 H new ATOM 0 HA LEU A 36 -10.714 -3.361 -3.963 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.605 -1.383 -1.964 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -9.780 -3.117 -1.772 1.00 0.33 H new ATOM 0 HG LEU A 36 -7.843 -1.672 -3.569 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -6.143 -2.713 -2.120 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -7.232 -1.635 -1.215 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -7.440 -3.399 -1.112 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -6.912 -3.861 -4.096 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -8.252 -4.633 -3.215 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -8.584 -3.673 -4.676 1.00 0.36 H new ATOM 535 N ASP A 37 -11.902 -1.001 -2.009 1.00 0.35 N ATOM 536 CA ASP A 37 -13.039 -0.418 -1.273 1.00 0.45 C ATOM 537 C ASP A 37 -12.468 0.078 0.027 1.00 0.39 C ATOM 538 O ASP A 37 -12.687 -0.491 1.086 1.00 0.87 O ATOM 539 CB ASP A 37 -14.179 -1.420 -0.966 1.00 0.79 C ATOM 540 CG ASP A 37 -15.411 -0.748 -0.388 1.00 0.90 C ATOM 541 OD1 ASP A 37 -16.241 -0.222 -1.160 1.00 1.12 O ATOM 542 OD2 ASP A 37 -15.560 -0.723 0.866 1.00 0.99 O ATOM 0 H ASP A 37 -11.007 -0.625 -1.696 1.00 0.35 H new ATOM 0 HA ASP A 37 -13.491 0.360 -1.888 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -14.452 -1.944 -1.882 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -13.817 -2.171 -0.264 1.00 0.79 H new ATOM 547 N VAL A 38 -11.609 1.041 -0.070 1.00 0.38 N ATOM 548 CA VAL A 38 -10.944 1.538 1.105 1.00 0.37 C ATOM 549 C VAL A 38 -11.272 2.992 1.310 1.00 0.48 C ATOM 550 O VAL A 38 -11.542 3.714 0.348 1.00 0.79 O ATOM 551 CB VAL A 38 -9.404 1.393 0.995 1.00 0.40 C ATOM 552 CG1 VAL A 38 -8.728 1.571 2.347 1.00 0.50 C ATOM 553 CG2 VAL A 38 -9.018 0.076 0.367 1.00 0.43 C ATOM 0 H VAL A 38 -11.348 1.501 -0.942 1.00 0.38 H new ATOM 0 HA VAL A 38 -11.296 0.945 1.949 1.00 0.37 H new ATOM 0 HB VAL A 38 -9.051 2.190 0.341 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -7.650 1.463 2.232 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -8.953 2.563 2.739 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -9.096 0.815 3.040 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.932 0.007 0.305 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -9.400 -0.743 0.976 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -9.443 0.012 -0.635 1.00 0.43 H new ATOM 563 N ASP A 39 -11.263 3.409 2.546 1.00 0.39 N ATOM 564 CA ASP A 39 -11.447 4.792 2.897 1.00 0.55 C ATOM 565 C ASP A 39 -10.180 5.550 2.585 1.00 0.67 C ATOM 566 O ASP A 39 -9.151 5.319 3.219 1.00 1.53 O ATOM 567 CB ASP A 39 -11.744 4.944 4.390 1.00 0.64 C ATOM 568 CG ASP A 39 -12.983 4.238 4.833 1.00 1.28 C ATOM 569 OD1 ASP A 39 -12.919 3.021 5.101 1.00 2.00 O ATOM 570 OD2 ASP A 39 -14.046 4.881 4.943 1.00 1.51 O ATOM 0 H ASP A 39 -11.126 2.793 3.347 1.00 0.39 H new ATOM 0 HA ASP A 39 -12.289 5.183 2.325 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -10.897 4.563 4.960 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -11.837 6.004 4.626 1.00 0.64 H new ATOM 575 N SER A 40 -10.251 6.388 1.579 1.00 0.45 N ATOM 576 CA SER A 40 -9.202 7.284 1.152 1.00 0.37 C ATOM 577 C SER A 40 -8.447 7.965 2.310 1.00 0.34 C ATOM 578 O SER A 40 -7.221 7.987 2.318 1.00 0.46 O ATOM 579 CB SER A 40 -9.840 8.296 0.276 1.00 0.51 C ATOM 580 OG SER A 40 -8.923 9.310 -0.098 1.00 0.78 O ATOM 0 H SER A 40 -11.089 6.468 1.004 1.00 0.45 H new ATOM 0 HA SER A 40 -8.439 6.707 0.630 1.00 0.37 H new ATOM 0 HB2 SER A 40 -10.232 7.810 -0.618 1.00 0.51 H new ATOM 0 HB3 SER A 40 -10.689 8.744 0.793 1.00 0.51 H new ATOM 0 HG SER A 40 -9.373 9.961 -0.676 1.00 0.78 H new ATOM 585 N LEU A 41 -9.164 8.507 3.277 1.00 0.32 N ATOM 586 CA LEU A 41 -8.527 9.162 4.405 1.00 0.36 C ATOM 587 C LEU A 41 -7.712 8.165 5.248 1.00 0.33 C ATOM 588 O LEU A 41 -6.643 8.492 5.749 1.00 0.41 O ATOM 589 CB LEU A 41 -9.535 9.922 5.304 1.00 0.51 C ATOM 590 CG LEU A 41 -10.606 9.102 6.056 1.00 0.65 C ATOM 591 CD1 LEU A 41 -11.106 9.882 7.249 1.00 1.15 C ATOM 592 CD2 LEU A 41 -11.803 8.771 5.176 1.00 1.18 C ATOM 0 H LEU A 41 -10.184 8.507 3.305 1.00 0.32 H new ATOM 0 HA LEU A 41 -7.848 9.901 3.979 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -8.964 10.482 6.045 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -10.052 10.652 4.681 1.00 0.51 H new ATOM 0 HG LEU A 41 -10.130 8.171 6.365 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -11.861 9.298 7.775 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -10.274 10.090 7.922 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -11.544 10.822 6.912 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -12.528 8.194 5.750 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -12.267 9.695 4.830 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -11.473 8.187 4.317 1.00 1.18 H new ATOM 604 N SER A 42 -8.193 6.947 5.343 1.00 0.31 N ATOM 605 CA SER A 42 -7.557 5.922 6.145 1.00 0.33 C ATOM 606 C SER A 42 -6.400 5.265 5.381 1.00 0.27 C ATOM 607 O SER A 42 -5.576 4.552 5.959 1.00 0.26 O ATOM 608 CB SER A 42 -8.599 4.899 6.557 1.00 0.45 C ATOM 609 OG SER A 42 -9.722 5.567 7.132 1.00 0.60 O ATOM 0 H SER A 42 -9.039 6.636 4.866 1.00 0.31 H new ATOM 0 HA SER A 42 -7.131 6.375 7.040 1.00 0.33 H new ATOM 0 HB2 SER A 42 -8.913 4.316 5.691 1.00 0.45 H new ATOM 0 HB3 SER A 42 -8.172 4.199 7.275 1.00 0.45 H new ATOM 0 HG SER A 42 -10.396 4.906 7.396 1.00 0.60 H new ATOM 615 N MET A 43 -6.347 5.525 4.077 1.00 0.27 N ATOM 616 CA MET A 43 -5.307 5.011 3.201 1.00 0.31 C ATOM 617 C MET A 43 -3.965 5.490 3.653 1.00 0.25 C ATOM 618 O MET A 43 -3.000 4.756 3.599 1.00 0.28 O ATOM 619 CB MET A 43 -5.542 5.441 1.755 1.00 0.46 C ATOM 620 CG MET A 43 -6.736 4.827 1.078 1.00 0.73 C ATOM 621 SD MET A 43 -6.401 3.299 0.192 1.00 0.86 S ATOM 622 CE MET A 43 -5.494 2.315 1.362 1.00 0.40 C ATOM 0 H MET A 43 -7.035 6.106 3.597 1.00 0.27 H new ATOM 0 HA MET A 43 -5.339 3.923 3.249 1.00 0.31 H new ATOM 0 HB2 MET A 43 -5.651 6.525 1.731 1.00 0.46 H new ATOM 0 HB3 MET A 43 -4.653 5.197 1.174 1.00 0.46 H new ATOM 0 HG2 MET A 43 -7.502 4.634 1.829 1.00 0.73 H new ATOM 0 HG3 MET A 43 -7.151 5.552 0.378 1.00 0.73 H new ATOM 0 HE1 MET A 43 -5.502 1.272 1.044 1.00 0.40 H new ATOM 0 HE2 MET A 43 -4.465 2.670 1.416 1.00 0.40 H new ATOM 0 HE3 MET A 43 -5.958 2.398 2.345 1.00 0.40 H new ATOM 632 N VAL A 44 -3.926 6.722 4.126 1.00 0.22 N ATOM 633 CA VAL A 44 -2.703 7.331 4.638 1.00 0.22 C ATOM 634 C VAL A 44 -2.071 6.431 5.736 1.00 0.21 C ATOM 635 O VAL A 44 -0.869 6.127 5.692 1.00 0.26 O ATOM 636 CB VAL A 44 -2.997 8.738 5.221 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.722 9.397 5.736 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.661 9.617 4.170 1.00 0.30 C ATOM 0 H VAL A 44 -4.741 7.334 4.168 1.00 0.22 H new ATOM 0 HA VAL A 44 -2.001 7.432 3.811 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.679 8.620 6.063 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -1.959 10.382 6.139 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -1.285 8.780 6.521 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -1.010 9.501 4.917 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -3.862 10.601 4.593 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -2.999 9.720 3.310 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.599 9.160 3.853 1.00 0.30 H new ATOM 648 N GLU A 45 -2.912 5.973 6.677 1.00 0.19 N ATOM 649 CA GLU A 45 -2.483 5.115 7.793 1.00 0.18 C ATOM 650 C GLU A 45 -1.814 3.873 7.271 1.00 0.20 C ATOM 651 O GLU A 45 -0.685 3.560 7.632 1.00 0.25 O ATOM 652 CB GLU A 45 -3.671 4.661 8.629 1.00 0.17 C ATOM 653 CG GLU A 45 -4.541 5.752 9.177 1.00 0.29 C ATOM 654 CD GLU A 45 -3.798 6.716 10.063 1.00 0.46 C ATOM 655 OE1 GLU A 45 -3.319 6.311 11.138 1.00 0.68 O ATOM 656 OE2 GLU A 45 -3.719 7.912 9.715 1.00 0.58 O ATOM 0 H GLU A 45 -3.909 6.187 6.685 1.00 0.19 H new ATOM 0 HA GLU A 45 -1.798 5.706 8.401 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.289 4.002 8.019 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.298 4.067 9.463 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -4.989 6.301 8.349 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.359 5.306 9.743 1.00 0.29 H new ATOM 663 N VAL A 46 -2.518 3.190 6.398 1.00 0.19 N ATOM 664 CA VAL A 46 -2.063 1.954 5.808 1.00 0.22 C ATOM 665 C VAL A 46 -0.775 2.088 4.975 1.00 0.20 C ATOM 666 O VAL A 46 -0.032 1.150 4.832 1.00 0.23 O ATOM 667 CB VAL A 46 -3.210 1.115 5.156 1.00 0.31 C ATOM 668 CG1 VAL A 46 -4.095 1.975 4.369 1.00 0.53 C ATOM 669 CG2 VAL A 46 -2.715 -0.026 4.297 1.00 0.63 C ATOM 0 H VAL A 46 -3.439 3.484 6.073 1.00 0.19 H new ATOM 0 HA VAL A 46 -1.740 1.334 6.644 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.760 0.670 5.986 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -4.886 1.372 3.924 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -4.537 2.732 5.017 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -3.522 2.462 3.580 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -3.567 -0.562 3.879 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -2.101 0.368 3.487 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -2.120 -0.708 4.905 1.00 0.63 H new ATOM 679 N VAL A 47 -0.486 3.286 4.504 1.00 0.17 N ATOM 680 CA VAL A 47 0.759 3.523 3.743 1.00 0.18 C ATOM 681 C VAL A 47 1.907 3.450 4.709 1.00 0.19 C ATOM 682 O VAL A 47 2.883 2.735 4.487 1.00 0.21 O ATOM 683 CB VAL A 47 0.819 4.917 3.071 1.00 0.22 C ATOM 684 CG1 VAL A 47 2.079 5.042 2.237 1.00 0.55 C ATOM 685 CG2 VAL A 47 -0.377 5.171 2.217 1.00 0.54 C ATOM 0 H VAL A 47 -1.076 4.109 4.624 1.00 0.17 H new ATOM 0 HA VAL A 47 0.802 2.771 2.955 1.00 0.18 H new ATOM 0 HB VAL A 47 0.830 5.663 3.865 1.00 0.22 H new ATOM 0 HG11 VAL A 47 2.110 6.026 1.770 1.00 0.55 H new ATOM 0 HG12 VAL A 47 2.953 4.917 2.877 1.00 0.55 H new ATOM 0 HG13 VAL A 47 2.082 4.273 1.464 1.00 0.55 H new ATOM 0 HG21 VAL A 47 -0.297 6.159 1.763 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -0.432 4.415 1.433 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -1.278 5.125 2.829 1.00 0.54 H new ATOM 695 N VAL A 48 1.772 4.189 5.800 1.00 0.19 N ATOM 696 CA VAL A 48 2.784 4.201 6.835 1.00 0.23 C ATOM 697 C VAL A 48 2.865 2.806 7.445 1.00 0.23 C ATOM 698 O VAL A 48 3.934 2.301 7.727 1.00 0.35 O ATOM 699 CB VAL A 48 2.447 5.245 7.938 1.00 0.31 C ATOM 700 CG1 VAL A 48 3.535 5.293 9.002 1.00 0.42 C ATOM 701 CG2 VAL A 48 2.242 6.628 7.328 1.00 0.33 C ATOM 0 H VAL A 48 0.968 4.788 5.988 1.00 0.19 H new ATOM 0 HA VAL A 48 3.742 4.481 6.397 1.00 0.23 H new ATOM 0 HB VAL A 48 1.518 4.934 8.416 1.00 0.31 H new ATOM 0 HG11 VAL A 48 3.271 6.032 9.759 1.00 0.42 H new ATOM 0 HG12 VAL A 48 3.631 4.313 9.469 1.00 0.42 H new ATOM 0 HG13 VAL A 48 4.483 5.569 8.541 1.00 0.42 H new ATOM 0 HG21 VAL A 48 2.007 7.343 8.117 1.00 0.33 H new ATOM 0 HG22 VAL A 48 3.153 6.939 6.816 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.419 6.592 6.614 1.00 0.33 H new ATOM 711 N ALA A 49 1.710 2.156 7.531 1.00 0.18 N ATOM 712 CA ALA A 49 1.604 0.860 8.109 1.00 0.18 C ATOM 713 C ALA A 49 2.305 -0.152 7.236 1.00 0.17 C ATOM 714 O ALA A 49 2.907 -1.119 7.722 1.00 0.21 O ATOM 715 CB ALA A 49 0.152 0.484 8.317 1.00 0.20 C ATOM 0 H ALA A 49 0.825 2.533 7.193 1.00 0.18 H new ATOM 0 HA ALA A 49 2.088 0.869 9.086 1.00 0.18 H new ATOM 0 HB1 ALA A 49 0.093 -0.510 8.760 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.319 1.206 8.984 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.365 0.485 7.357 1.00 0.20 H new ATOM 721 N ALA A 50 2.213 0.085 5.941 1.00 0.16 N ATOM 722 CA ALA A 50 2.862 -0.711 4.958 1.00 0.18 C ATOM 723 C ALA A 50 4.362 -0.576 5.122 1.00 0.18 C ATOM 724 O ALA A 50 5.043 -1.549 5.424 1.00 0.21 O ATOM 725 CB ALA A 50 2.418 -0.302 3.530 1.00 0.18 C ATOM 0 H ALA A 50 1.670 0.856 5.552 1.00 0.16 H new ATOM 0 HA ALA A 50 2.579 -1.755 5.097 1.00 0.18 H new ATOM 0 HB1 ALA A 50 2.929 -0.926 2.797 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.341 -0.435 3.432 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.672 0.744 3.356 1.00 0.18 H new ATOM 731 N GLU A 51 4.865 0.636 5.016 1.00 0.18 N ATOM 732 CA GLU A 51 6.295 0.854 5.053 1.00 0.23 C ATOM 733 C GLU A 51 6.967 0.394 6.331 1.00 0.23 C ATOM 734 O GLU A 51 8.029 -0.228 6.272 1.00 0.30 O ATOM 735 CB GLU A 51 6.697 2.252 4.595 1.00 0.29 C ATOM 736 CG GLU A 51 6.030 3.412 5.265 1.00 0.31 C ATOM 737 CD GLU A 51 6.865 4.087 6.302 1.00 0.36 C ATOM 738 OE1 GLU A 51 7.013 3.506 7.385 1.00 0.51 O ATOM 739 OE2 GLU A 51 7.372 5.191 6.076 1.00 0.64 O ATOM 0 H GLU A 51 4.307 1.482 4.904 1.00 0.18 H new ATOM 0 HA GLU A 51 6.704 0.181 4.300 1.00 0.23 H new ATOM 0 HB2 GLU A 51 7.773 2.356 4.733 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.505 2.325 3.525 1.00 0.29 H new ATOM 0 HG2 GLU A 51 5.752 4.144 4.506 1.00 0.31 H new ATOM 0 HG3 GLU A 51 5.106 3.066 5.728 1.00 0.31 H new ATOM 746 N GLU A 52 6.319 0.609 7.452 1.00 0.22 N ATOM 747 CA GLU A 52 6.819 0.141 8.732 1.00 0.26 C ATOM 748 C GLU A 52 6.997 -1.373 8.752 1.00 0.24 C ATOM 749 O GLU A 52 7.996 -1.885 9.253 1.00 0.35 O ATOM 750 CB GLU A 52 5.885 0.544 9.846 1.00 0.33 C ATOM 751 CG GLU A 52 5.881 2.007 10.150 1.00 0.46 C ATOM 752 CD GLU A 52 5.089 2.302 11.375 1.00 1.20 C ATOM 753 OE1 GLU A 52 3.940 1.855 11.482 1.00 1.50 O ATOM 754 OE2 GLU A 52 5.605 2.989 12.275 1.00 2.07 O ATOM 0 H GLU A 52 5.433 1.111 7.507 1.00 0.22 H new ATOM 0 HA GLU A 52 7.794 0.605 8.882 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.873 0.237 9.584 1.00 0.33 H new ATOM 0 HB3 GLU A 52 6.159 -0.001 10.749 1.00 0.33 H new ATOM 0 HG2 GLU A 52 6.905 2.356 10.284 1.00 0.46 H new ATOM 0 HG3 GLU A 52 5.465 2.555 9.305 1.00 0.46 H new ATOM 761 N ARG A 53 6.052 -2.075 8.164 1.00 0.18 N ATOM 762 CA ARG A 53 6.067 -3.526 8.149 1.00 0.21 C ATOM 763 C ARG A 53 7.037 -4.055 7.090 1.00 0.24 C ATOM 764 O ARG A 53 7.583 -5.148 7.229 1.00 0.37 O ATOM 765 CB ARG A 53 4.646 -4.059 7.879 1.00 0.25 C ATOM 766 CG ARG A 53 4.494 -5.586 7.886 1.00 0.41 C ATOM 767 CD ARG A 53 3.064 -5.976 7.543 1.00 0.49 C ATOM 768 NE ARG A 53 2.820 -7.435 7.496 1.00 1.36 N ATOM 769 CZ ARG A 53 1.653 -7.987 7.872 1.00 1.55 C ATOM 770 NH1 ARG A 53 0.835 -7.300 8.654 1.00 1.19 N ATOM 771 NH2 ARG A 53 1.331 -9.235 7.517 1.00 2.48 N ATOM 0 H ARG A 53 5.253 -1.660 7.684 1.00 0.18 H new ATOM 0 HA ARG A 53 6.406 -3.877 9.124 1.00 0.21 H new ATOM 0 HB2 ARG A 53 3.973 -3.642 8.629 1.00 0.25 H new ATOM 0 HB3 ARG A 53 4.315 -3.684 6.910 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.182 -6.030 7.166 1.00 0.41 H new ATOM 0 HG3 ARG A 53 4.760 -5.980 8.867 1.00 0.41 H new ATOM 0 HD2 ARG A 53 2.393 -5.532 8.279 1.00 0.49 H new ATOM 0 HD3 ARG A 53 2.806 -5.546 6.575 1.00 0.49 H new ATOM 0 HE ARG A 53 3.567 -8.046 7.165 1.00 1.36 H new ATOM 0 HH11 ARG A 53 1.093 -6.363 8.964 1.00 1.19 H new ATOM 0 HH12 ARG A 53 -0.053 -7.707 8.946 1.00 1.19 H new ATOM 0 HH21 ARG A 53 1.976 -9.787 6.951 1.00 2.48 H new ATOM 0 HH22 ARG A 53 0.441 -9.636 7.812 1.00 2.48 H new ATOM 785 N PHE A 54 7.273 -3.287 6.039 1.00 0.20 N ATOM 786 CA PHE A 54 8.085 -3.804 4.927 1.00 0.26 C ATOM 787 C PHE A 54 9.479 -3.235 4.924 1.00 0.37 C ATOM 788 O PHE A 54 10.263 -3.501 4.031 1.00 0.81 O ATOM 789 CB PHE A 54 7.404 -3.562 3.586 1.00 0.18 C ATOM 790 CG PHE A 54 5.978 -3.944 3.597 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.566 -5.066 4.275 1.00 0.27 C ATOM 792 CD2 PHE A 54 5.043 -3.149 3.003 1.00 0.19 C ATOM 793 CE1 PHE A 54 4.258 -5.379 4.356 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.724 -3.457 3.090 1.00 0.29 C ATOM 795 CZ PHE A 54 3.331 -4.574 3.769 1.00 0.33 C ATOM 0 H PHE A 54 6.931 -2.333 5.924 1.00 0.20 H new ATOM 0 HA PHE A 54 8.174 -4.880 5.080 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.492 -2.508 3.323 1.00 0.18 H new ATOM 0 HB3 PHE A 54 7.922 -4.128 2.812 1.00 0.18 H new ATOM 0 HD1 PHE A 54 6.298 -5.704 4.748 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.354 -2.269 2.460 1.00 0.19 H new ATOM 0 HE1 PHE A 54 3.946 -6.267 4.886 1.00 0.36 H new ATOM 0 HE2 PHE A 54 2.987 -2.820 2.623 1.00 0.29 H new ATOM 0 HZ PHE A 54 2.282 -4.820 3.841 1.00 0.33 H new ATOM 805 N ASP A 55 9.759 -2.441 5.922 1.00 0.23 N ATOM 806 CA ASP A 55 11.099 -1.822 6.172 1.00 0.30 C ATOM 807 C ASP A 55 11.352 -0.584 5.309 1.00 0.21 C ATOM 808 O ASP A 55 12.333 0.131 5.504 1.00 0.44 O ATOM 809 CB ASP A 55 12.271 -2.839 6.009 1.00 0.60 C ATOM 810 CG ASP A 55 13.610 -2.291 6.447 1.00 1.22 C ATOM 811 OD1 ASP A 55 13.841 -2.138 7.658 1.00 1.56 O ATOM 812 OD2 ASP A 55 14.445 -1.977 5.587 1.00 1.99 O ATOM 0 H ASP A 55 9.064 -2.179 6.622 1.00 0.23 H new ATOM 0 HA ASP A 55 11.072 -1.503 7.214 1.00 0.30 H new ATOM 0 HB2 ASP A 55 12.047 -3.735 6.588 1.00 0.60 H new ATOM 0 HB3 ASP A 55 12.336 -3.142 4.964 1.00 0.60 H new ATOM 817 N VAL A 56 10.457 -0.280 4.398 1.00 0.17 N ATOM 818 CA VAL A 56 10.684 0.838 3.524 1.00 0.21 C ATOM 819 C VAL A 56 10.277 2.144 4.251 1.00 0.20 C ATOM 820 O VAL A 56 9.761 2.085 5.364 1.00 0.21 O ATOM 821 CB VAL A 56 9.925 0.645 2.171 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.445 0.697 2.342 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.369 1.598 1.104 1.00 0.37 C ATOM 0 H VAL A 56 9.582 -0.782 4.247 1.00 0.17 H new ATOM 0 HA VAL A 56 11.743 0.906 3.276 1.00 0.21 H new ATOM 0 HB VAL A 56 10.191 -0.357 1.833 1.00 0.27 H new ATOM 0 HG11 VAL A 56 7.962 0.558 1.375 1.00 0.29 H new ATOM 0 HG12 VAL A 56 8.129 -0.094 3.022 1.00 0.29 H new ATOM 0 HG13 VAL A 56 8.160 1.665 2.754 1.00 0.29 H new ATOM 0 HG21 VAL A 56 9.804 1.411 0.191 1.00 0.37 H new ATOM 0 HG22 VAL A 56 10.195 2.622 1.435 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.432 1.455 0.908 1.00 0.37 H new ATOM 833 N LYS A 57 10.533 3.281 3.665 1.00 0.25 N ATOM 834 CA LYS A 57 10.080 4.524 4.226 1.00 0.25 C ATOM 835 C LYS A 57 9.364 5.255 3.125 1.00 0.22 C ATOM 836 O LYS A 57 9.909 5.394 2.022 1.00 0.28 O ATOM 837 CB LYS A 57 11.248 5.374 4.751 1.00 0.33 C ATOM 838 CG LYS A 57 10.798 6.471 5.710 1.00 0.44 C ATOM 839 CD LYS A 57 10.203 5.850 6.967 1.00 0.89 C ATOM 840 CE LYS A 57 9.476 6.858 7.846 1.00 1.46 C ATOM 841 NZ LYS A 57 10.361 7.908 8.378 1.00 2.12 N ATOM 0 H LYS A 57 11.056 3.373 2.794 1.00 0.25 H new ATOM 0 HA LYS A 57 9.427 4.334 5.078 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.963 4.726 5.258 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.769 5.827 3.908 1.00 0.33 H new ATOM 0 HG2 LYS A 57 11.644 7.105 5.973 1.00 0.44 H new ATOM 0 HG3 LYS A 57 10.060 7.109 5.225 1.00 0.44 H new ATOM 0 HD2 LYS A 57 9.509 5.060 6.681 1.00 0.89 H new ATOM 0 HD3 LYS A 57 10.999 5.381 7.545 1.00 0.89 H new ATOM 0 HE2 LYS A 57 8.677 7.323 7.269 1.00 1.46 H new ATOM 0 HE3 LYS A 57 9.005 6.333 8.677 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 9.808 8.562 8.968 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 11.110 7.472 8.953 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 10.791 8.432 7.589 1.00 2.12 H new ATOM 855 N ILE A 58 8.157 5.676 3.375 1.00 0.20 N ATOM 856 CA ILE A 58 7.374 6.324 2.349 1.00 0.19 C ATOM 857 C ILE A 58 7.005 7.748 2.762 1.00 0.21 C ATOM 858 O ILE A 58 6.241 7.948 3.711 1.00 0.25 O ATOM 859 CB ILE A 58 6.086 5.515 2.005 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.459 4.081 1.594 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.323 6.198 0.871 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.278 3.173 1.322 1.00 0.24 C ATOM 0 H ILE A 58 7.690 5.585 4.277 1.00 0.20 H new ATOM 0 HA ILE A 58 7.993 6.366 1.453 1.00 0.19 H new ATOM 0 HB ILE A 58 5.449 5.478 2.888 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.080 4.124 0.699 1.00 0.22 H new ATOM 0 HG13 ILE A 58 7.066 3.638 2.383 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.426 5.624 0.639 1.00 0.20 H new ATOM 0 HG22 ILE A 58 5.041 7.205 1.177 1.00 0.20 H new ATOM 0 HG23 ILE A 58 5.958 6.252 -0.014 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.637 2.184 1.039 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.666 3.094 2.220 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.680 3.587 0.510 1.00 0.24 H new ATOM 874 N PRO A 59 7.563 8.754 2.076 1.00 0.23 N ATOM 875 CA PRO A 59 7.264 10.166 2.341 1.00 0.28 C ATOM 876 C PRO A 59 5.847 10.502 1.929 1.00 0.24 C ATOM 877 O PRO A 59 5.270 9.810 1.091 1.00 0.21 O ATOM 878 CB PRO A 59 8.232 10.899 1.419 1.00 0.33 C ATOM 879 CG PRO A 59 8.471 9.942 0.321 1.00 0.30 C ATOM 880 CD PRO A 59 8.531 8.606 0.981 1.00 0.25 C ATOM 0 HA PRO A 59 7.361 10.425 3.395 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.804 11.831 1.050 1.00 0.33 H new ATOM 0 HB3 PRO A 59 9.158 11.155 1.934 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.671 9.982 -0.418 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.400 10.166 -0.203 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.253 7.803 0.299 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.531 8.379 1.350 1.00 0.25 H new ATOM 888 N ASP A 60 5.316 11.580 2.468 1.00 0.30 N ATOM 889 CA ASP A 60 3.943 12.039 2.196 1.00 0.34 C ATOM 890 C ASP A 60 3.668 12.171 0.706 1.00 0.31 C ATOM 891 O ASP A 60 2.608 11.743 0.216 1.00 0.36 O ATOM 892 CB ASP A 60 3.683 13.376 2.893 1.00 0.51 C ATOM 893 CG ASP A 60 2.357 13.997 2.518 1.00 1.25 C ATOM 894 OD1 ASP A 60 1.302 13.469 2.924 1.00 1.98 O ATOM 895 OD2 ASP A 60 2.343 15.020 1.811 1.00 1.92 O ATOM 0 H ASP A 60 5.822 12.180 3.119 1.00 0.30 H new ATOM 0 HA ASP A 60 3.265 11.282 2.592 1.00 0.34 H new ATOM 0 HB2 ASP A 60 3.715 13.227 3.972 1.00 0.51 H new ATOM 0 HB3 ASP A 60 4.485 14.070 2.643 1.00 0.51 H new ATOM 900 N ASP A 61 4.638 12.699 -0.015 1.00 0.30 N ATOM 901 CA ASP A 61 4.514 12.917 -1.455 1.00 0.37 C ATOM 902 C ASP A 61 4.451 11.584 -2.207 1.00 0.33 C ATOM 903 O ASP A 61 3.774 11.467 -3.227 1.00 0.46 O ATOM 904 CB ASP A 61 5.676 13.756 -1.975 1.00 0.50 C ATOM 905 CG ASP A 61 5.472 14.255 -3.390 1.00 1.16 C ATOM 906 OD1 ASP A 61 5.582 13.444 -4.337 1.00 2.06 O ATOM 907 OD2 ASP A 61 5.162 15.434 -3.590 1.00 1.16 O ATOM 0 H ASP A 61 5.535 12.991 0.374 1.00 0.30 H new ATOM 0 HA ASP A 61 3.584 13.458 -1.632 1.00 0.37 H new ATOM 0 HB2 ASP A 61 5.822 14.610 -1.314 1.00 0.50 H new ATOM 0 HB3 ASP A 61 6.589 13.162 -1.935 1.00 0.50 H new ATOM 912 N ASP A 62 5.127 10.574 -1.686 1.00 0.25 N ATOM 913 CA ASP A 62 5.081 9.255 -2.311 1.00 0.25 C ATOM 914 C ASP A 62 3.911 8.452 -1.832 1.00 0.23 C ATOM 915 O ASP A 62 3.452 7.566 -2.526 1.00 0.28 O ATOM 916 CB ASP A 62 6.375 8.460 -2.210 1.00 0.26 C ATOM 917 CG ASP A 62 7.400 8.872 -3.243 1.00 0.36 C ATOM 918 OD1 ASP A 62 7.065 8.943 -4.442 1.00 0.52 O ATOM 919 OD2 ASP A 62 8.527 9.215 -2.873 1.00 0.44 O ATOM 0 H ASP A 62 5.705 10.635 -0.848 1.00 0.25 H new ATOM 0 HA ASP A 62 4.950 9.458 -3.374 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.798 8.589 -1.214 1.00 0.26 H new ATOM 0 HB3 ASP A 62 6.154 7.399 -2.327 1.00 0.26 H new ATOM 924 N VAL A 63 3.427 8.763 -0.638 1.00 0.22 N ATOM 925 CA VAL A 63 2.182 8.185 -0.115 1.00 0.26 C ATOM 926 C VAL A 63 1.088 8.443 -1.142 1.00 0.29 C ATOM 927 O VAL A 63 0.432 7.533 -1.609 1.00 0.38 O ATOM 928 CB VAL A 63 1.785 8.871 1.245 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.380 8.498 1.681 1.00 0.31 C ATOM 930 CG2 VAL A 63 2.764 8.513 2.347 1.00 0.27 C ATOM 0 H VAL A 63 3.879 9.420 -0.001 1.00 0.22 H new ATOM 0 HA VAL A 63 2.314 7.118 0.063 1.00 0.26 H new ATOM 0 HB VAL A 63 1.818 9.946 1.069 1.00 0.27 H new ATOM 0 HG11 VAL A 63 0.148 8.994 2.624 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.333 8.814 0.920 1.00 0.31 H new ATOM 0 HG13 VAL A 63 0.315 7.418 1.813 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.463 9.002 3.274 1.00 0.27 H new ATOM 0 HG22 VAL A 63 2.770 7.433 2.492 1.00 0.27 H new ATOM 0 HG23 VAL A 63 3.763 8.847 2.068 1.00 0.27 H new ATOM 940 N LYS A 64 0.979 9.689 -1.532 1.00 0.27 N ATOM 941 CA LYS A 64 -0.033 10.132 -2.487 1.00 0.34 C ATOM 942 C LYS A 64 0.363 9.783 -3.938 1.00 0.32 C ATOM 943 O LYS A 64 -0.395 10.020 -4.883 1.00 0.38 O ATOM 944 CB LYS A 64 -0.270 11.634 -2.309 1.00 0.44 C ATOM 945 CG LYS A 64 0.990 12.464 -2.441 1.00 0.83 C ATOM 946 CD LYS A 64 0.795 13.903 -2.017 1.00 0.73 C ATOM 947 CE LYS A 64 -0.166 14.652 -2.928 1.00 1.59 C ATOM 948 NZ LYS A 64 0.386 14.845 -4.288 1.00 2.16 N ATOM 0 H LYS A 64 1.589 10.436 -1.200 1.00 0.27 H new ATOM 0 HA LYS A 64 -0.965 9.602 -2.288 1.00 0.34 H new ATOM 0 HB2 LYS A 64 -0.996 11.970 -3.050 1.00 0.44 H new ATOM 0 HB3 LYS A 64 -0.711 11.811 -1.328 1.00 0.44 H new ATOM 0 HG2 LYS A 64 1.779 12.016 -1.836 1.00 0.83 H new ATOM 0 HG3 LYS A 64 1.329 12.439 -3.477 1.00 0.83 H new ATOM 0 HD2 LYS A 64 0.417 13.930 -0.995 1.00 0.73 H new ATOM 0 HD3 LYS A 64 1.759 14.412 -2.014 1.00 0.73 H new ATOM 0 HE2 LYS A 64 -1.105 14.102 -2.994 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -0.396 15.623 -2.490 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -0.231 15.487 -4.825 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 1.339 15.256 -4.221 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 0.439 13.927 -4.775 1.00 2.16 H new ATOM 962 N ASN A 65 1.544 9.206 -4.097 1.00 0.26 N ATOM 963 CA ASN A 65 2.054 8.800 -5.406 1.00 0.29 C ATOM 964 C ASN A 65 1.571 7.395 -5.678 1.00 0.28 C ATOM 965 O ASN A 65 1.337 6.999 -6.831 1.00 0.42 O ATOM 966 CB ASN A 65 3.590 8.799 -5.419 1.00 0.36 C ATOM 967 CG ASN A 65 4.183 8.535 -6.797 1.00 0.90 C ATOM 968 OD1 ASN A 65 4.368 7.389 -7.206 1.00 1.59 O ATOM 969 ND2 ASN A 65 4.544 9.573 -7.492 1.00 1.43 N ATOM 0 H ASN A 65 2.179 9.004 -3.325 1.00 0.26 H new ATOM 0 HA ASN A 65 1.699 9.500 -6.163 1.00 0.29 H new ATOM 0 HB2 ASN A 65 3.950 9.761 -5.055 1.00 0.36 H new ATOM 0 HB3 ASN A 65 3.951 8.040 -4.725 1.00 0.36 H new ATOM 0 HD21 ASN A 65 4.992 9.448 -8.400 1.00 1.43 H new ATOM 0 HD22 ASN A 65 4.379 10.512 -7.130 1.00 1.43 H new ATOM 976 N LEU A 66 1.393 6.655 -4.606 1.00 0.21 N ATOM 977 CA LEU A 66 0.953 5.312 -4.667 1.00 0.23 C ATOM 978 C LEU A 66 -0.533 5.330 -4.792 1.00 0.25 C ATOM 979 O LEU A 66 -1.229 5.797 -3.900 1.00 0.31 O ATOM 980 CB LEU A 66 1.338 4.541 -3.387 1.00 0.22 C ATOM 981 CG LEU A 66 2.800 4.624 -2.932 1.00 0.21 C ATOM 982 CD1 LEU A 66 3.051 3.696 -1.753 1.00 0.22 C ATOM 983 CD2 LEU A 66 3.757 4.332 -4.077 1.00 0.23 C ATOM 0 H LEU A 66 1.558 6.993 -3.658 1.00 0.21 H new ATOM 0 HA LEU A 66 1.422 4.815 -5.516 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.710 4.903 -2.573 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.090 3.490 -3.538 1.00 0.22 H new ATOM 0 HG LEU A 66 2.990 5.646 -2.604 1.00 0.21 H new ATOM 0 HD11 LEU A 66 4.094 3.771 -1.447 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.407 3.982 -0.921 1.00 0.22 H new ATOM 0 HD13 LEU A 66 2.832 2.669 -2.045 1.00 0.22 H new ATOM 0 HD21 LEU A 66 4.784 4.400 -3.719 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.571 3.328 -4.459 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.602 5.059 -4.875 1.00 0.23 H new ATOM 995 N LYS A 67 -1.014 4.899 -5.899 1.00 0.28 N ATOM 996 CA LYS A 67 -2.422 4.802 -6.069 1.00 0.34 C ATOM 997 C LYS A 67 -2.823 3.361 -6.026 1.00 0.30 C ATOM 998 O LYS A 67 -3.800 3.015 -5.409 1.00 0.38 O ATOM 999 CB LYS A 67 -3.004 5.554 -7.319 1.00 0.46 C ATOM 1000 CG LYS A 67 -2.401 5.240 -8.702 1.00 1.05 C ATOM 1001 CD LYS A 67 -1.040 5.907 -8.943 1.00 1.26 C ATOM 1002 CE LYS A 67 -1.120 7.434 -8.958 1.00 1.83 C ATOM 1003 NZ LYS A 67 0.216 8.038 -9.136 1.00 2.55 N ATOM 0 H LYS A 67 -0.457 4.607 -6.702 1.00 0.28 H new ATOM 0 HA LYS A 67 -2.875 5.338 -5.235 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -4.073 5.345 -7.366 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -2.896 6.624 -7.144 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -2.291 4.160 -8.805 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -3.097 5.564 -9.475 1.00 1.05 H new ATOM 0 HD2 LYS A 67 -0.344 5.592 -8.165 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -0.634 5.560 -9.893 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -1.779 7.758 -9.764 1.00 1.83 H new ATOM 0 HE3 LYS A 67 -1.560 7.787 -8.025 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 0.151 9.068 -9.007 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 0.873 7.642 -8.433 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 0.566 7.830 -10.093 1.00 2.55 H new ATOM 1017 N THR A 68 -2.028 2.498 -6.640 1.00 0.23 N ATOM 1018 CA THR A 68 -2.335 1.119 -6.610 1.00 0.19 C ATOM 1019 C THR A 68 -1.351 0.407 -5.708 1.00 0.18 C ATOM 1020 O THR A 68 -0.398 1.012 -5.208 1.00 0.20 O ATOM 1021 CB THR A 68 -2.294 0.451 -8.015 1.00 0.18 C ATOM 1022 OG1 THR A 68 -0.942 0.322 -8.464 1.00 0.21 O ATOM 1023 CG2 THR A 68 -3.074 1.260 -9.039 1.00 0.22 C ATOM 0 H THR A 68 -1.182 2.746 -7.153 1.00 0.23 H new ATOM 0 HA THR A 68 -3.355 1.032 -6.236 1.00 0.19 H new ATOM 0 HB THR A 68 -2.752 -0.533 -7.919 1.00 0.18 H new ATOM 0 HG1 THR A 68 -0.655 1.160 -8.884 1.00 0.21 H new ATOM 0 HG21 THR A 68 -3.024 0.765 -10.009 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.115 1.338 -8.725 1.00 0.22 H new ATOM 0 HG23 THR A 68 -2.643 2.258 -9.119 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.528 -0.886 -5.549 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.598 -1.676 -4.803 1.00 0.18 C ATOM 1033 C VAL A 69 0.493 -2.114 -5.727 1.00 0.15 C ATOM 1034 O VAL A 69 1.559 -2.504 -5.312 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.260 -2.850 -3.969 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -2.723 -2.961 -4.276 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -0.571 -4.206 -4.140 1.00 1.21 C ATOM 0 H VAL A 69 -2.316 -1.408 -5.933 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.164 -1.059 -4.016 1.00 0.18 H new ATOM 0 HB VAL A 69 -1.126 -2.578 -2.922 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -3.157 -3.773 -3.692 1.00 1.05 H new ATOM 0 HG12 VAL A 69 -3.220 -2.025 -4.021 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -2.857 -3.166 -5.338 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -1.085 -4.954 -3.537 1.00 1.21 H new ATOM 0 HG22 VAL A 69 -0.604 -4.501 -5.189 1.00 1.21 H new ATOM 0 HG23 VAL A 69 0.467 -4.130 -3.817 1.00 1.21 H new ATOM 1047 N GLY A 70 0.240 -1.934 -7.012 1.00 0.14 N ATOM 1048 CA GLY A 70 1.262 -2.210 -7.993 1.00 0.16 C ATOM 1049 C GLY A 70 2.298 -1.139 -7.898 1.00 0.19 C ATOM 1050 O GLY A 70 3.481 -1.391 -7.993 1.00 0.33 O ATOM 0 H GLY A 70 -0.648 -1.604 -7.390 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.708 -3.188 -7.813 1.00 0.16 H new ATOM 0 HA3 GLY A 70 0.832 -2.235 -8.994 1.00 0.16 H new ATOM 1054 N ASP A 71 1.802 0.055 -7.658 1.00 0.17 N ATOM 1055 CA ASP A 71 2.578 1.232 -7.395 1.00 0.20 C ATOM 1056 C ASP A 71 3.290 1.081 -6.071 1.00 0.17 C ATOM 1057 O ASP A 71 4.513 1.077 -6.005 1.00 0.20 O ATOM 1058 CB ASP A 71 1.625 2.426 -7.274 1.00 0.32 C ATOM 1059 CG ASP A 71 1.128 3.014 -8.561 1.00 0.87 C ATOM 1060 OD1 ASP A 71 1.824 3.867 -9.155 1.00 1.28 O ATOM 1061 OD2 ASP A 71 0.005 2.666 -8.975 1.00 1.39 O ATOM 0 H ASP A 71 0.798 0.233 -7.642 1.00 0.17 H new ATOM 0 HA ASP A 71 3.299 1.379 -8.199 1.00 0.20 H new ATOM 0 HB2 ASP A 71 0.762 2.116 -6.684 1.00 0.32 H new ATOM 0 HB3 ASP A 71 2.130 3.211 -6.712 1.00 0.32 H new ATOM 1066 N ALA A 72 2.480 0.920 -5.023 1.00 0.15 N ATOM 1067 CA ALA A 72 2.929 0.829 -3.636 1.00 0.13 C ATOM 1068 C ALA A 72 3.993 -0.181 -3.465 1.00 0.12 C ATOM 1069 O ALA A 72 5.094 0.146 -3.106 1.00 0.14 O ATOM 1070 CB ALA A 72 1.767 0.420 -2.744 1.00 0.13 C ATOM 0 H ALA A 72 1.467 0.848 -5.120 1.00 0.15 H new ATOM 0 HA ALA A 72 3.316 1.811 -3.363 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.107 0.354 -1.711 1.00 0.13 H new ATOM 0 HB2 ALA A 72 0.973 1.163 -2.817 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.387 -0.550 -3.064 1.00 0.13 H new ATOM 1076 N THR A 73 3.664 -1.388 -3.782 1.00 0.11 N ATOM 1077 CA THR A 73 4.523 -2.497 -3.568 1.00 0.13 C ATOM 1078 C THR A 73 5.855 -2.359 -4.304 1.00 0.16 C ATOM 1079 O THR A 73 6.915 -2.708 -3.764 1.00 0.24 O ATOM 1080 CB THR A 73 3.830 -3.772 -3.974 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.608 -3.876 -3.250 1.00 0.15 O ATOM 1082 CG2 THR A 73 4.693 -4.942 -3.671 1.00 0.17 C ATOM 0 H THR A 73 2.770 -1.633 -4.206 1.00 0.11 H new ATOM 0 HA THR A 73 4.752 -2.527 -2.503 1.00 0.13 H new ATOM 0 HB THR A 73 3.630 -3.756 -5.045 1.00 0.14 H new ATOM 0 HG1 THR A 73 1.946 -3.265 -3.636 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.182 -5.858 -3.969 1.00 0.17 H new ATOM 0 HG22 THR A 73 5.630 -4.855 -4.220 1.00 0.17 H new ATOM 0 HG23 THR A 73 4.901 -4.974 -2.601 1.00 0.17 H new ATOM 1090 N LYS A 74 5.783 -1.854 -5.511 1.00 0.17 N ATOM 1091 CA LYS A 74 6.928 -1.603 -6.318 1.00 0.20 C ATOM 1092 C LYS A 74 7.791 -0.609 -5.617 1.00 0.23 C ATOM 1093 O LYS A 74 8.942 -0.866 -5.384 1.00 0.45 O ATOM 1094 CB LYS A 74 6.449 -1.110 -7.689 1.00 0.25 C ATOM 1095 CG LYS A 74 7.441 -0.343 -8.545 1.00 0.98 C ATOM 1096 CD LYS A 74 7.242 1.149 -8.362 1.00 2.21 C ATOM 1097 CE LYS A 74 8.332 1.946 -9.031 1.00 2.92 C ATOM 1098 NZ LYS A 74 8.138 3.387 -8.838 1.00 3.63 N ATOM 0 H LYS A 74 4.902 -1.604 -5.960 1.00 0.17 H new ATOM 0 HA LYS A 74 7.524 -2.502 -6.477 1.00 0.20 H new ATOM 0 HB2 LYS A 74 6.112 -1.976 -8.259 1.00 0.25 H new ATOM 0 HB3 LYS A 74 5.578 -0.474 -7.532 1.00 0.25 H new ATOM 0 HG2 LYS A 74 8.459 -0.618 -8.271 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.310 -0.609 -9.594 1.00 0.98 H new ATOM 0 HD2 LYS A 74 6.275 1.440 -8.773 1.00 2.21 H new ATOM 0 HD3 LYS A 74 7.220 1.385 -7.298 1.00 2.21 H new ATOM 0 HE2 LYS A 74 9.300 1.651 -8.627 1.00 2.92 H new ATOM 0 HE3 LYS A 74 8.348 1.719 -10.097 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 8.905 3.907 -9.311 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 7.224 3.672 -9.245 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 8.147 3.605 -7.821 1.00 3.63 H new ATOM 1112 N TYR A 75 7.174 0.483 -5.205 1.00 0.16 N ATOM 1113 CA TYR A 75 7.836 1.558 -4.512 1.00 0.16 C ATOM 1114 C TYR A 75 8.522 1.052 -3.270 1.00 0.16 C ATOM 1115 O TYR A 75 9.699 1.338 -3.021 1.00 0.19 O ATOM 1116 CB TYR A 75 6.821 2.595 -4.098 1.00 0.16 C ATOM 1117 CG TYR A 75 7.459 3.769 -3.427 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.075 4.755 -4.170 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.393 3.919 -2.062 1.00 0.21 C ATOM 1120 CE1 TYR A 75 8.603 5.859 -3.574 1.00 0.32 C ATOM 1121 CE2 TYR A 75 7.928 5.013 -1.453 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.731 5.864 -2.183 1.00 0.28 C ATOM 1123 OH TYR A 75 9.051 7.096 -1.585 1.00 0.40 O ATOM 0 H TYR A 75 6.177 0.645 -5.349 1.00 0.16 H new ATOM 0 HA TYR A 75 8.575 1.990 -5.187 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.271 2.934 -4.976 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.095 2.142 -3.423 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.139 4.649 -5.243 1.00 0.26 H new ATOM 0 HD2 TYR A 75 6.911 3.159 -1.465 1.00 0.21 H new ATOM 0 HE1 TYR A 75 8.915 6.710 -4.162 1.00 0.32 H new ATOM 0 HE2 TYR A 75 7.726 5.212 -0.411 1.00 0.26 H new ATOM 0 HH TYR A 75 9.324 7.734 -2.277 1.00 0.40 H new ATOM 1133 N ILE A 76 7.757 0.333 -2.497 1.00 0.14 N ATOM 1134 CA ILE A 76 8.185 -0.243 -1.269 1.00 0.16 C ATOM 1135 C ILE A 76 9.413 -1.101 -1.493 1.00 0.17 C ATOM 1136 O ILE A 76 10.486 -0.728 -1.073 1.00 0.21 O ATOM 1137 CB ILE A 76 7.021 -1.064 -0.685 1.00 0.15 C ATOM 1138 CG1 ILE A 76 5.918 -0.113 -0.246 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.470 -1.917 0.479 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.597 -0.781 -0.033 1.00 0.13 C ATOM 0 H ILE A 76 6.783 0.129 -2.720 1.00 0.14 H new ATOM 0 HA ILE A 76 8.462 0.537 -0.560 1.00 0.16 H new ATOM 0 HB ILE A 76 6.649 -1.738 -1.456 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.220 0.377 0.679 1.00 0.13 H new ATOM 0 HG13 ILE A 76 5.803 0.668 -0.998 1.00 0.13 H new ATOM 0 HG21 ILE A 76 6.621 -2.482 0.865 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.245 -2.608 0.146 1.00 0.19 H new ATOM 0 HG23 ILE A 76 7.868 -1.277 1.267 1.00 0.19 H new ATOM 0 HD11 ILE A 76 3.861 -0.040 0.278 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.271 -1.248 -0.963 1.00 0.13 H new ATOM 0 HD13 ILE A 76 4.695 -1.543 0.741 1.00 0.13 H new ATOM 1152 N LEU A 77 9.265 -2.188 -2.220 1.00 0.17 N ATOM 1153 CA LEU A 77 10.319 -3.124 -2.486 1.00 0.20 C ATOM 1154 C LEU A 77 11.541 -2.459 -3.114 1.00 0.22 C ATOM 1155 O LEU A 77 12.688 -2.772 -2.767 1.00 0.29 O ATOM 1156 CB LEU A 77 9.764 -4.163 -3.425 1.00 0.23 C ATOM 1157 CG LEU A 77 10.702 -5.209 -3.896 1.00 0.78 C ATOM 1158 CD1 LEU A 77 11.249 -6.012 -2.739 1.00 1.08 C ATOM 1159 CD2 LEU A 77 10.049 -6.063 -4.954 1.00 1.44 C ATOM 0 H LEU A 77 8.378 -2.446 -2.652 1.00 0.17 H new ATOM 0 HA LEU A 77 10.654 -3.565 -1.547 1.00 0.20 H new ATOM 0 HB2 LEU A 77 8.927 -4.656 -2.930 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.361 -3.650 -4.298 1.00 0.23 H new ATOM 0 HG LEU A 77 11.562 -4.730 -4.363 1.00 0.78 H new ATOM 0 HD11 LEU A 77 11.934 -6.772 -3.115 1.00 1.08 H new ATOM 0 HD12 LEU A 77 11.781 -5.350 -2.056 1.00 1.08 H new ATOM 0 HD13 LEU A 77 10.427 -6.495 -2.210 1.00 1.08 H new ATOM 0 HD21 LEU A 77 10.751 -6.826 -5.290 1.00 1.44 H new ATOM 0 HD22 LEU A 77 9.163 -6.542 -4.539 1.00 1.44 H new ATOM 0 HD23 LEU A 77 9.761 -5.438 -5.799 1.00 1.44 H new ATOM 1171 N ASP A 78 11.282 -1.520 -3.982 1.00 0.22 N ATOM 1172 CA ASP A 78 12.316 -0.821 -4.730 1.00 0.29 C ATOM 1173 C ASP A 78 13.147 0.061 -3.822 1.00 0.30 C ATOM 1174 O ASP A 78 14.335 0.274 -4.050 1.00 0.36 O ATOM 1175 CB ASP A 78 11.675 -0.029 -5.893 1.00 0.45 C ATOM 1176 CG ASP A 78 12.561 1.023 -6.513 1.00 0.49 C ATOM 1177 OD1 ASP A 78 13.502 0.669 -7.252 1.00 0.63 O ATOM 1178 OD2 ASP A 78 12.307 2.220 -6.304 1.00 0.59 O ATOM 0 H ASP A 78 10.336 -1.207 -4.200 1.00 0.22 H new ATOM 0 HA ASP A 78 13.001 -1.551 -5.160 1.00 0.29 H new ATOM 0 HB2 ASP A 78 11.374 -0.733 -6.669 1.00 0.45 H new ATOM 0 HB3 ASP A 78 10.767 0.451 -5.529 1.00 0.45 H new ATOM 1183 N HIS A 79 12.536 0.526 -2.760 1.00 0.29 N ATOM 1184 CA HIS A 79 13.216 1.372 -1.810 1.00 0.36 C ATOM 1185 C HIS A 79 13.649 0.633 -0.535 1.00 0.42 C ATOM 1186 O HIS A 79 14.452 1.172 0.234 1.00 0.58 O ATOM 1187 CB HIS A 79 12.395 2.615 -1.466 1.00 0.38 C ATOM 1188 CG HIS A 79 12.391 3.682 -2.517 1.00 0.61 C ATOM 1189 ND1 HIS A 79 13.081 4.862 -2.391 1.00 0.99 N ATOM 1190 CD2 HIS A 79 11.762 3.753 -3.702 1.00 0.87 C ATOM 1191 CE1 HIS A 79 12.876 5.607 -3.446 1.00 1.25 C ATOM 1192 NE2 HIS A 79 12.082 4.960 -4.264 1.00 1.18 N ATOM 0 H HIS A 79 11.561 0.331 -2.531 1.00 0.29 H new ATOM 0 HA HIS A 79 14.131 1.692 -2.309 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.366 2.311 -1.275 1.00 0.38 H new ATOM 0 HB3 HIS A 79 12.779 3.041 -0.539 1.00 0.38 H new ATOM 0 HD2 HIS A 79 11.122 2.997 -4.132 1.00 0.87 H new ATOM 0 HE1 HIS A 79 13.291 6.590 -3.615 1.00 1.25 H new ATOM 0 HE2 HIS A 79 11.756 5.299 -5.169 1.00 1.18 H new ATOM 1201 N GLN A 80 13.114 -0.583 -0.283 1.00 0.39 N ATOM 1202 CA GLN A 80 13.526 -1.367 0.901 1.00 0.49 C ATOM 1203 C GLN A 80 14.930 -1.747 0.719 1.00 0.58 C ATOM 1204 O GLN A 80 15.820 -1.457 1.526 1.00 0.83 O ATOM 1205 CB GLN A 80 12.811 -2.689 1.024 1.00 0.67 C ATOM 1206 CG GLN A 80 11.345 -2.695 0.905 1.00 0.52 C ATOM 1207 CD GLN A 80 10.797 -4.099 0.984 1.00 0.57 C ATOM 1208 OE1 GLN A 80 9.588 -4.201 1.355 1.00 0.87 O flip ATOM 1209 NE2 GLN A 80 11.462 -5.077 0.639 1.00 0.56 N flip ATOM 0 H GLN A 80 12.412 -1.034 -0.869 1.00 0.39 H new ATOM 0 HA GLN A 80 13.315 -0.743 1.770 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.211 -3.357 0.261 1.00 0.67 H new ATOM 0 HB3 GLN A 80 13.069 -3.120 1.992 1.00 0.67 H new ATOM 0 HG2 GLN A 80 10.911 -2.087 1.699 1.00 0.52 H new ATOM 0 HG3 GLN A 80 11.052 -2.240 -0.041 1.00 0.52 H new ATOM 0 HE21 GLN A 80 12.432 -4.957 0.347 1.00 0.56 H new ATOM 0 HE22 GLN A 80 11.043 -6.007 0.646 1.00 0.56 H new