USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 904 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 36 SER OG : rot -170:sc= 0 USER MOD Set 1.2: A 51 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Set 2.1: A 31 ASN : amide:sc= -0.756 X(o=-1.1,f=-1.5) USER MOD Set 2.2: A 91 GLN : amide:sc= -0.36 K(o=-1.1,f=-1.9) USER MOD Set 3.1: A 24 THR OG1 : rot 48:sc= 1.26 USER MOD Set 3.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 22 LYS NZ :NH3+ -156:sc= 1.21 (180deg=-0.0269) USER MOD Set 4.2: A 101 TYR OH : rot 0:sc= 1.11 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.992 K(o=-0.99,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 0.892 (180deg=-0.558) USER MOD Single : A 30 GLN : amide:sc= -2.59! K(o=-2.6!,f=-0.73) USER MOD Single : A 42 GLN : amide:sc= 0.179 K(o=0.18,f=-0.94) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 30:sc= 0.325 USER MOD Single : A 46 CYS SG : rot 180:sc= -1.7! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.692 K(o=-0.69,f=0) USER MOD Single : A 56 THR OG1 : rot -160:sc= 0.025 USER MOD Single : A 63 THR OG1 : rot -42:sc= 0.257 USER MOD Single : A 71 THR OG1 : rot -27:sc= 0.824 USER MOD Single : A 74 ASN : amide:sc= 0.298 K(o=0.3,f=-3) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 171:sc=-0.000866 (180deg=-0.122) USER MOD Single : A 81 LYS NZ :NH3+ 155:sc= 1.29 (180deg=1.21) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0703 USER MOD Single : A 83 LYS NZ :NH3+ -169:sc= 1.04 (180deg=0.793) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= -0.034 (180deg=-0.33) USER MOD Single : A 100 HIS : no HD1:sc= -5.53! C(o=-5.5!,f=-7.5!) USER MOD Single : A 102 ASN : amide:sc= -3.23! C(o=-3.2!,f=-5.7!) USER MOD Single : A 103 LYS NZ :NH3+ -173:sc= 1.15 (180deg=1.04) USER MOD Single : A 105 GLN : amide:sc= -4.2 K(o=-4.2,f=-7.8!) USER MOD Single : A 109 LYS NZ :NH3+ -135:sc= -0.542 (180deg=-2.57!) USER MOD Single : A 110 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.037) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 GLN : amide:sc= -0.886 K(o=-0.89,f=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= -0.0705 X(o=-0.071,f=-0.057) USER MOD Single : A 127 LYS NZ :NH3+ 165:sc= -0.0356 (180deg=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 13 7.951 -9.151 15.128 1.00 0.00 N ATOM 2 CA GLY A 13 8.852 -8.842 16.263 1.00 0.00 C ATOM 3 C GLY A 13 9.022 -7.349 16.459 1.00 0.00 C ATOM 4 O GLY A 13 8.062 -6.586 16.332 1.00 0.00 O ATOM 0 HA2 GLY A 13 8.452 -9.285 17.175 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.826 -9.298 16.088 1.00 0.00 H new ATOM 10 N SER A 14 10.243 -6.928 16.756 1.00 0.00 N ATOM 11 CA SER A 14 10.533 -5.519 16.976 1.00 0.00 C ATOM 12 C SER A 14 11.709 -5.070 16.107 1.00 0.00 C ATOM 13 O SER A 14 12.854 -5.058 16.559 1.00 0.00 O ATOM 14 CB SER A 14 10.847 -5.276 18.454 1.00 0.00 C ATOM 15 OG SER A 14 9.809 -5.770 19.285 1.00 0.00 O ATOM 0 H SER A 14 11.050 -7.544 16.850 1.00 0.00 H new ATOM 0 HA SER A 14 9.656 -4.935 16.697 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.787 -5.762 18.714 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.981 -4.209 18.630 1.00 0.00 H new ATOM 0 HG SER A 14 10.035 -5.604 20.224 1.00 0.00 H new ATOM 21 N PRO A 15 11.442 -4.715 14.841 1.00 0.00 N ATOM 22 CA PRO A 15 12.483 -4.260 13.918 1.00 0.00 C ATOM 23 C PRO A 15 12.913 -2.822 14.201 1.00 0.00 C ATOM 24 O PRO A 15 12.124 -2.011 14.692 1.00 0.00 O ATOM 25 CB PRO A 15 11.810 -4.365 12.551 1.00 0.00 C ATOM 26 CG PRO A 15 10.353 -4.199 12.822 1.00 0.00 C ATOM 27 CD PRO A 15 10.108 -4.733 14.209 1.00 0.00 C ATOM 0 HA PRO A 15 13.396 -4.850 14.001 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.175 -3.595 11.872 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.017 -5.327 12.083 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.064 -3.150 12.754 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.758 -4.742 12.087 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.399 -4.112 14.756 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.693 -5.741 14.181 1.00 0.00 H new ATOM 35 N GLY A 16 14.164 -2.512 13.885 1.00 0.00 N ATOM 36 CA GLY A 16 14.692 -1.185 14.133 1.00 0.00 C ATOM 37 C GLY A 16 14.277 -0.188 13.074 1.00 0.00 C ATOM 38 O GLY A 16 15.110 0.330 12.330 1.00 0.00 O ATOM 0 H GLY A 16 14.826 -3.161 13.459 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.350 -0.838 15.108 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.780 -1.233 14.176 1.00 0.00 H new ATOM 42 N ILE A 17 12.982 0.067 12.996 1.00 0.00 N ATOM 43 CA ILE A 17 12.444 1.019 12.044 1.00 0.00 C ATOM 44 C ILE A 17 11.775 2.180 12.776 1.00 0.00 C ATOM 45 O ILE A 17 11.088 1.968 13.781 1.00 0.00 O ATOM 46 CB ILE A 17 11.465 0.336 11.070 1.00 0.00 C ATOM 47 CG1 ILE A 17 10.325 -0.343 11.839 1.00 0.00 C ATOM 48 CG2 ILE A 17 12.217 -0.664 10.205 1.00 0.00 C ATOM 49 CD1 ILE A 17 9.504 -1.307 11.009 1.00 0.00 C ATOM 0 H ILE A 17 12.280 -0.377 13.587 1.00 0.00 H new ATOM 0 HA ILE A 17 13.268 1.417 11.453 1.00 0.00 H new ATOM 0 HB ILE A 17 11.021 1.091 10.421 1.00 0.00 H new ATOM 0 HG12 ILE A 17 10.745 -0.880 12.690 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.665 0.426 12.241 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.522 -1.145 9.517 1.00 0.00 H new ATOM 0 HG22 ILE A 17 12.989 -0.145 9.637 1.00 0.00 H new ATOM 0 HG23 ILE A 17 12.680 -1.419 10.840 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.720 -1.743 11.628 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.052 -0.774 10.173 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.148 -2.099 10.628 1.00 0.00 H new ATOM 61 N PRO A 18 11.976 3.412 12.291 1.00 0.00 N ATOM 62 CA PRO A 18 11.696 4.628 13.062 1.00 0.00 C ATOM 63 C PRO A 18 10.218 4.833 13.388 1.00 0.00 C ATOM 64 O PRO A 18 9.777 4.532 14.501 1.00 0.00 O ATOM 65 CB PRO A 18 12.233 5.757 12.178 1.00 0.00 C ATOM 66 CG PRO A 18 12.295 5.195 10.799 1.00 0.00 C ATOM 67 CD PRO A 18 12.475 3.710 10.941 1.00 0.00 C ATOM 0 HA PRO A 18 12.166 4.581 14.044 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.580 6.629 12.216 1.00 0.00 H new ATOM 0 HB3 PRO A 18 13.218 6.082 12.513 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.383 5.422 10.248 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.122 5.633 10.240 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.914 3.167 10.181 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.521 3.424 10.831 1.00 0.00 H new ATOM 75 N VAL A 19 9.460 5.355 12.429 1.00 0.00 N ATOM 76 CA VAL A 19 8.060 5.637 12.627 1.00 0.00 C ATOM 77 C VAL A 19 7.201 4.671 11.816 1.00 0.00 C ATOM 78 O VAL A 19 7.047 4.814 10.602 1.00 0.00 O ATOM 79 CB VAL A 19 7.755 7.062 12.208 1.00 0.00 C ATOM 80 CG1 VAL A 19 6.272 7.334 12.274 1.00 0.00 C ATOM 81 CG2 VAL A 19 8.531 8.056 13.055 1.00 0.00 C ATOM 0 H VAL A 19 9.806 5.590 11.499 1.00 0.00 H new ATOM 0 HA VAL A 19 7.828 5.513 13.685 1.00 0.00 H new ATOM 0 HB VAL A 19 8.074 7.186 11.173 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.077 8.362 11.969 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.747 6.651 11.606 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.920 7.185 13.295 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.294 9.070 12.734 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.257 7.934 14.103 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.600 7.878 12.937 1.00 0.00 H new ATOM 91 N PRO A 20 6.660 3.669 12.493 1.00 0.00 N ATOM 92 CA PRO A 20 5.880 2.609 11.889 1.00 0.00 C ATOM 93 C PRO A 20 4.410 2.965 11.730 1.00 0.00 C ATOM 94 O PRO A 20 3.707 3.258 12.702 1.00 0.00 O ATOM 95 CB PRO A 20 6.057 1.443 12.866 1.00 0.00 C ATOM 96 CG PRO A 20 6.795 1.985 14.056 1.00 0.00 C ATOM 97 CD PRO A 20 6.808 3.478 13.919 1.00 0.00 C ATOM 0 HA PRO A 20 6.213 2.390 10.875 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.090 1.037 13.163 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.616 0.630 12.402 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.305 1.687 14.983 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.811 1.592 14.092 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.994 3.943 14.476 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.737 3.910 14.291 1.00 0.00 H new ATOM 105 N GLY A 21 3.952 2.930 10.492 1.00 0.00 N ATOM 106 CA GLY A 21 2.564 3.219 10.203 1.00 0.00 C ATOM 107 C GLY A 21 2.416 4.291 9.155 1.00 0.00 C ATOM 108 O GLY A 21 2.643 4.035 7.971 1.00 0.00 O ATOM 0 H GLY A 21 4.520 2.705 9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.068 2.310 9.864 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.062 3.534 11.117 1.00 0.00 H new ATOM 112 N LYS A 22 2.036 5.477 9.623 1.00 0.00 N ATOM 113 CA LYS A 22 1.931 6.704 8.825 1.00 0.00 C ATOM 114 C LYS A 22 0.500 7.024 8.398 1.00 0.00 C ATOM 115 O LYS A 22 -0.203 7.708 9.144 1.00 0.00 O ATOM 116 CB LYS A 22 2.890 6.749 7.630 1.00 0.00 C ATOM 117 CG LYS A 22 4.362 6.862 8.021 1.00 0.00 C ATOM 118 CD LYS A 22 4.644 8.107 8.856 1.00 0.00 C ATOM 119 CE LYS A 22 4.299 9.393 8.112 1.00 0.00 C ATOM 120 NZ LYS A 22 5.125 9.584 6.890 1.00 0.00 N ATOM 0 H LYS A 22 1.783 5.619 10.601 1.00 0.00 H new ATOM 0 HA LYS A 22 2.248 7.494 9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.751 5.849 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.626 7.596 6.997 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.656 5.976 8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.975 6.885 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.069 8.059 9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.697 8.123 9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.245 9.377 7.835 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.440 10.244 8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.164 10.596 6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.088 9.232 7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.701 9.058 6.099 1.00 0.00 H new ATOM 134 N VAL A 23 0.021 6.550 7.238 1.00 0.00 N ATOM 135 CA VAL A 23 -1.197 7.148 6.702 1.00 0.00 C ATOM 136 C VAL A 23 -2.278 6.117 6.419 1.00 0.00 C ATOM 137 O VAL A 23 -2.012 4.916 6.369 1.00 0.00 O ATOM 138 CB VAL A 23 -0.918 8.023 5.447 1.00 0.00 C ATOM 139 CG1 VAL A 23 0.070 9.117 5.778 1.00 0.00 C ATOM 140 CG2 VAL A 23 -0.382 7.213 4.288 1.00 0.00 C ATOM 0 H VAL A 23 0.433 5.799 6.685 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.576 7.805 7.485 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.873 8.454 5.148 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.255 9.721 4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.337 9.748 6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.006 8.672 6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.204 7.870 3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.553 6.735 4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.109 6.449 4.011 1.00 0.00 H new ATOM 150 N THR A 24 -3.512 6.589 6.317 1.00 0.00 N ATOM 151 CA THR A 24 -4.632 5.733 5.974 1.00 0.00 C ATOM 152 C THR A 24 -5.526 6.410 4.931 1.00 0.00 C ATOM 153 O THR A 24 -6.074 7.491 5.156 1.00 0.00 O ATOM 154 CB THR A 24 -5.452 5.334 7.227 1.00 0.00 C ATOM 155 OG1 THR A 24 -6.586 4.538 6.856 1.00 0.00 O ATOM 156 CG2 THR A 24 -5.922 6.557 8.003 1.00 0.00 C ATOM 0 H THR A 24 -3.761 7.566 6.468 1.00 0.00 H new ATOM 0 HA THR A 24 -4.229 4.816 5.543 1.00 0.00 H new ATOM 0 HB THR A 24 -4.794 4.750 7.871 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.302 3.833 6.237 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.493 6.237 8.874 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.058 7.136 8.328 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.552 7.174 7.363 1.00 0.00 H new ATOM 164 N LEU A 25 -5.628 5.778 3.774 1.00 0.00 N ATOM 165 CA LEU A 25 -6.452 6.279 2.681 1.00 0.00 C ATOM 166 C LEU A 25 -7.608 5.317 2.449 1.00 0.00 C ATOM 167 O LEU A 25 -7.963 4.546 3.338 1.00 0.00 O ATOM 168 CB LEU A 25 -5.617 6.419 1.392 1.00 0.00 C ATOM 169 CG LEU A 25 -4.589 7.560 1.365 1.00 0.00 C ATOM 170 CD1 LEU A 25 -5.225 8.867 1.800 1.00 0.00 C ATOM 171 CD2 LEU A 25 -3.381 7.238 2.228 1.00 0.00 C ATOM 0 H LEU A 25 -5.144 4.905 3.564 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.838 7.263 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.090 5.480 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.301 6.556 0.555 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.243 7.670 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.479 9.661 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.044 9.116 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.610 8.764 2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.673 8.066 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.701 7.085 3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.901 6.332 1.859 1.00 0.00 H new ATOM 183 N GLN A 26 -8.205 5.365 1.271 1.00 0.00 N ATOM 184 CA GLN A 26 -9.212 4.402 0.909 1.00 0.00 C ATOM 185 C GLN A 26 -9.075 4.043 -0.561 1.00 0.00 C ATOM 186 O GLN A 26 -8.611 4.852 -1.358 1.00 0.00 O ATOM 187 CB GLN A 26 -10.602 4.940 1.227 1.00 0.00 C ATOM 188 CG GLN A 26 -11.145 5.912 0.203 1.00 0.00 C ATOM 189 CD GLN A 26 -12.449 6.545 0.641 1.00 0.00 C ATOM 190 OE1 GLN A 26 -12.787 7.650 0.217 1.00 0.00 O ATOM 191 NE2 GLN A 26 -13.177 5.868 1.518 1.00 0.00 N ATOM 0 H GLN A 26 -8.005 6.063 0.554 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.071 3.494 1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.292 4.101 1.315 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.574 5.433 2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.408 6.694 0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.297 5.392 -0.743 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.862 4.955 1.845 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.052 6.261 1.866 1.00 0.00 H new ATOM 200 N LYS A 27 -9.442 2.810 -0.874 1.00 0.00 N ATOM 201 CA LYS A 27 -9.334 2.232 -2.224 1.00 0.00 C ATOM 202 C LYS A 27 -9.633 3.205 -3.366 1.00 0.00 C ATOM 203 O LYS A 27 -10.424 4.144 -3.251 1.00 0.00 O ATOM 204 CB LYS A 27 -10.297 1.060 -2.383 1.00 0.00 C ATOM 205 CG LYS A 27 -10.117 -0.067 -1.389 1.00 0.00 C ATOM 206 CD LYS A 27 -8.712 -0.607 -1.439 1.00 0.00 C ATOM 207 CE LYS A 27 -8.654 -2.062 -1.039 1.00 0.00 C ATOM 208 NZ LYS A 27 -9.062 -2.260 0.370 1.00 0.00 N ATOM 0 H LYS A 27 -9.832 2.162 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.289 1.930 -2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.317 1.436 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.187 0.655 -3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.338 0.291 -0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.826 -0.866 -1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.314 -0.491 -2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.074 -0.022 -0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.304 -2.645 -1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.641 -2.438 -1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.700 -3.173 0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.673 -1.493 0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.100 -2.253 0.435 1.00 0.00 H new ATOM 222 N ASP A 28 -8.997 2.903 -4.481 1.00 0.00 N ATOM 223 CA ASP A 28 -9.220 3.569 -5.755 1.00 0.00 C ATOM 224 C ASP A 28 -10.428 2.933 -6.449 1.00 0.00 C ATOM 225 O ASP A 28 -10.998 1.975 -5.923 1.00 0.00 O ATOM 226 CB ASP A 28 -7.945 3.423 -6.607 1.00 0.00 C ATOM 227 CG ASP A 28 -8.072 3.946 -8.024 1.00 0.00 C ATOM 228 OD1 ASP A 28 -7.927 5.166 -8.230 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.320 3.131 -8.938 1.00 0.00 O ATOM 0 H ASP A 28 -8.291 2.168 -4.530 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.430 4.629 -5.612 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.130 3.949 -6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.668 2.370 -6.646 1.00 0.00 H new ATOM 234 N ALA A 29 -10.819 3.439 -7.609 1.00 0.00 N ATOM 235 CA ALA A 29 -11.934 2.870 -8.356 1.00 0.00 C ATOM 236 C ALA A 29 -11.686 1.397 -8.695 1.00 0.00 C ATOM 237 O ALA A 29 -12.629 0.621 -8.860 1.00 0.00 O ATOM 238 CB ALA A 29 -12.189 3.674 -9.620 1.00 0.00 C ATOM 0 H ALA A 29 -10.380 4.244 -8.055 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.821 2.919 -7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.024 3.237 -10.167 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.428 4.704 -9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.297 3.659 -10.247 1.00 0.00 H new ATOM 244 N GLN A 30 -10.417 1.007 -8.766 1.00 0.00 N ATOM 245 CA GLN A 30 -10.060 -0.372 -9.080 1.00 0.00 C ATOM 246 C GLN A 30 -9.850 -1.170 -7.798 1.00 0.00 C ATOM 247 O GLN A 30 -9.162 -2.186 -7.783 1.00 0.00 O ATOM 248 CB GLN A 30 -8.801 -0.411 -9.902 1.00 0.00 C ATOM 249 CG GLN A 30 -8.716 -1.604 -10.834 1.00 0.00 C ATOM 250 CD GLN A 30 -7.580 -1.469 -11.815 1.00 0.00 C ATOM 251 OE1 GLN A 30 -7.749 -0.941 -12.915 1.00 0.00 O ATOM 252 NE2 GLN A 30 -6.415 -1.942 -11.424 1.00 0.00 N ATOM 0 H GLN A 30 -9.620 1.625 -8.611 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.877 -0.815 -9.650 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.734 0.504 -10.491 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.941 -0.423 -9.232 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.584 -2.514 -10.248 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.655 -1.708 -11.378 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.322 -2.371 -10.503 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.606 -1.879 -12.042 1.00 0.00 H new ATOM 261 N ASN A 31 -10.417 -0.641 -6.727 1.00 0.00 N ATOM 262 CA ASN A 31 -10.431 -1.252 -5.399 1.00 0.00 C ATOM 263 C ASN A 31 -9.035 -1.604 -4.901 1.00 0.00 C ATOM 264 O ASN A 31 -8.848 -2.525 -4.102 1.00 0.00 O ATOM 265 CB ASN A 31 -11.387 -2.449 -5.335 1.00 0.00 C ATOM 266 CG ASN A 31 -10.911 -3.717 -6.021 1.00 0.00 C ATOM 267 OD1 ASN A 31 -11.163 -3.931 -7.206 1.00 0.00 O ATOM 268 ND2 ASN A 31 -10.257 -4.584 -5.275 1.00 0.00 N ATOM 0 H ASN A 31 -10.899 0.258 -6.754 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.815 -0.497 -4.713 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.582 -2.677 -4.287 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.338 -2.154 -5.779 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.942 -5.467 -5.677 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.066 -4.372 -4.296 1.00 0.00 H new ATOM 275 N LEU A 32 -8.066 -0.827 -5.342 1.00 0.00 N ATOM 276 CA LEU A 32 -6.689 -0.978 -4.889 1.00 0.00 C ATOM 277 C LEU A 32 -6.137 0.355 -4.402 1.00 0.00 C ATOM 278 O LEU A 32 -6.901 1.290 -4.180 1.00 0.00 O ATOM 279 CB LEU A 32 -5.818 -1.569 -6.004 1.00 0.00 C ATOM 280 CG LEU A 32 -6.053 -1.028 -7.422 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.694 0.445 -7.535 1.00 0.00 C ATOM 282 CD2 LEU A 32 -5.256 -1.842 -8.426 1.00 0.00 C ATOM 0 H LEU A 32 -8.204 -0.077 -6.019 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.672 -1.672 -4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.773 -1.401 -5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.973 -2.648 -6.021 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.117 -1.122 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.875 0.787 -8.554 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.308 1.023 -6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.641 0.583 -7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.428 -1.452 -9.429 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.194 -1.775 -8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.573 -2.884 -8.383 1.00 0.00 H new ATOM 294 N ILE A 33 -4.828 0.449 -4.216 1.00 0.00 N ATOM 295 CA ILE A 33 -4.237 1.676 -3.738 1.00 0.00 C ATOM 296 C ILE A 33 -3.504 2.413 -4.849 1.00 0.00 C ATOM 297 O ILE A 33 -3.366 3.636 -4.805 1.00 0.00 O ATOM 298 CB ILE A 33 -3.267 1.420 -2.578 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.311 -0.052 -2.143 1.00 0.00 C ATOM 300 CG2 ILE A 33 -3.632 2.324 -1.425 1.00 0.00 C ATOM 301 CD1 ILE A 33 -2.263 -0.414 -1.111 1.00 0.00 C ATOM 0 H ILE A 33 -4.165 -0.307 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.059 2.297 -3.382 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.250 1.637 -2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.299 -0.272 -1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.178 -0.685 -3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.948 2.149 -0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.560 3.365 -1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.652 2.112 -1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.356 -1.469 -0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.270 -0.226 -1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.408 0.192 -0.217 1.00 0.00 H new ATOM 313 N GLY A 34 -3.052 1.666 -5.847 1.00 0.00 N ATOM 314 CA GLY A 34 -2.339 2.261 -6.958 1.00 0.00 C ATOM 315 C GLY A 34 -0.837 2.154 -6.807 1.00 0.00 C ATOM 316 O GLY A 34 -0.110 3.097 -7.130 1.00 0.00 O ATOM 0 H GLY A 34 -3.167 0.654 -5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.643 1.773 -7.884 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.618 3.311 -7.044 1.00 0.00 H new ATOM 320 N ILE A 35 -0.371 1.015 -6.315 1.00 0.00 N ATOM 321 CA ILE A 35 1.055 0.809 -6.080 1.00 0.00 C ATOM 322 C ILE A 35 1.537 -0.509 -6.654 1.00 0.00 C ATOM 323 O ILE A 35 0.754 -1.345 -7.108 1.00 0.00 O ATOM 324 CB ILE A 35 1.402 0.851 -4.571 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.564 -0.152 -3.769 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.205 2.253 -4.021 1.00 0.00 C ATOM 327 CD1 ILE A 35 1.089 -1.572 -3.772 1.00 0.00 C ATOM 0 H ILE A 35 -0.958 0.218 -6.070 1.00 0.00 H new ATOM 0 HA ILE A 35 1.563 1.628 -6.588 1.00 0.00 H new ATOM 0 HB ILE A 35 2.450 0.569 -4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.501 0.194 -2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.451 -0.155 -4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.453 2.266 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.855 2.947 -4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.166 2.553 -4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.429 -2.205 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.125 -1.944 -4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.091 -1.590 -3.344 1.00 0.00 H new ATOM 339 N SER A 36 2.839 -0.680 -6.611 1.00 0.00 N ATOM 340 CA SER A 36 3.472 -1.911 -7.022 1.00 0.00 C ATOM 341 C SER A 36 4.575 -2.279 -6.055 1.00 0.00 C ATOM 342 O SER A 36 5.444 -1.465 -5.745 1.00 0.00 O ATOM 343 CB SER A 36 4.013 -1.789 -8.442 1.00 0.00 C ATOM 344 OG SER A 36 2.946 -1.826 -9.363 1.00 0.00 O ATOM 0 H SER A 36 3.491 0.035 -6.288 1.00 0.00 H new ATOM 0 HA SER A 36 2.727 -2.706 -7.013 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.568 -0.857 -8.551 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.711 -2.601 -8.646 1.00 0.00 H new ATOM 0 HG SER A 36 3.302 -1.907 -10.273 1.00 0.00 H new ATOM 350 N ILE A 37 4.519 -3.503 -5.570 1.00 0.00 N ATOM 351 CA ILE A 37 5.480 -3.976 -4.579 1.00 0.00 C ATOM 352 C ILE A 37 6.485 -4.951 -5.196 1.00 0.00 C ATOM 353 O ILE A 37 6.113 -6.008 -5.710 1.00 0.00 O ATOM 354 CB ILE A 37 4.786 -4.655 -3.375 1.00 0.00 C ATOM 355 CG1 ILE A 37 3.784 -3.703 -2.706 1.00 0.00 C ATOM 356 CG2 ILE A 37 5.809 -5.147 -2.359 1.00 0.00 C ATOM 357 CD1 ILE A 37 4.408 -2.449 -2.130 1.00 0.00 C ATOM 0 H ILE A 37 3.819 -4.193 -5.843 1.00 0.00 H new ATOM 0 HA ILE A 37 6.009 -3.093 -4.222 1.00 0.00 H new ATOM 0 HB ILE A 37 4.238 -5.517 -3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.029 -3.416 -3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.269 -4.238 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.293 -5.620 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.473 -5.871 -2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.394 -4.303 -1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.632 -1.832 -1.677 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.143 -2.723 -1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.899 -1.888 -2.926 1.00 0.00 H new ATOM 369 N GLY A 38 7.753 -4.574 -5.124 1.00 0.00 N ATOM 370 CA GLY A 38 8.834 -5.396 -5.622 1.00 0.00 C ATOM 371 C GLY A 38 10.005 -5.397 -4.658 1.00 0.00 C ATOM 372 O GLY A 38 9.851 -5.022 -3.491 1.00 0.00 O ATOM 0 H GLY A 38 8.056 -3.689 -4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.481 -6.416 -5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.159 -5.026 -6.594 1.00 0.00 H new ATOM 376 N GLY A 39 11.170 -5.816 -5.127 1.00 0.00 N ATOM 377 CA GLY A 39 12.329 -5.884 -4.258 1.00 0.00 C ATOM 378 C GLY A 39 13.400 -4.863 -4.599 1.00 0.00 C ATOM 379 O GLY A 39 13.839 -4.773 -5.750 1.00 0.00 O ATOM 0 H GLY A 39 11.335 -6.109 -6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.010 -5.734 -3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.759 -6.884 -4.316 1.00 0.00 H new ATOM 383 N GLY A 40 13.800 -4.073 -3.607 1.00 0.00 N ATOM 384 CA GLY A 40 14.958 -3.222 -3.754 1.00 0.00 C ATOM 385 C GLY A 40 16.246 -3.963 -3.462 1.00 0.00 C ATOM 386 O GLY A 40 16.239 -5.186 -3.300 1.00 0.00 O ATOM 0 H GLY A 40 13.337 -4.010 -2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.990 -2.825 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.869 -2.369 -3.081 1.00 0.00 H new ATOM 390 N ALA A 41 17.349 -3.231 -3.394 1.00 0.00 N ATOM 391 CA ALA A 41 18.646 -3.842 -3.127 1.00 0.00 C ATOM 392 C ALA A 41 19.548 -2.920 -2.308 1.00 0.00 C ATOM 393 O ALA A 41 19.571 -3.001 -1.082 1.00 0.00 O ATOM 394 CB ALA A 41 19.327 -4.243 -4.429 1.00 0.00 C ATOM 0 H ALA A 41 17.374 -2.219 -3.519 1.00 0.00 H new ATOM 0 HA ALA A 41 18.471 -4.739 -2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 41 20.293 -4.697 -4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 41 18.702 -4.960 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 41 19.474 -3.359 -5.050 1.00 0.00 H new ATOM 400 N GLN A 42 20.283 -2.039 -2.980 1.00 0.00 N ATOM 401 CA GLN A 42 21.213 -1.145 -2.295 1.00 0.00 C ATOM 402 C GLN A 42 21.026 0.299 -2.743 1.00 0.00 C ATOM 403 O GLN A 42 20.590 1.151 -1.967 1.00 0.00 O ATOM 404 CB GLN A 42 22.662 -1.567 -2.557 1.00 0.00 C ATOM 405 CG GLN A 42 23.047 -2.901 -1.941 1.00 0.00 C ATOM 406 CD GLN A 42 24.451 -3.323 -2.325 1.00 0.00 C ATOM 407 OE1 GLN A 42 24.933 -2.999 -3.411 1.00 0.00 O ATOM 408 NE2 GLN A 42 25.123 -4.041 -1.442 1.00 0.00 N ATOM 0 H GLN A 42 20.254 -1.925 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 42 21.000 -1.214 -1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.824 -1.617 -3.634 1.00 0.00 H new ATOM 0 HB3 GLN A 42 23.328 -0.796 -2.170 1.00 0.00 H new ATOM 0 HG2 GLN A 42 22.974 -2.833 -0.856 1.00 0.00 H new ATOM 0 HG3 GLN A 42 22.339 -3.665 -2.261 1.00 0.00 H new ATOM 0 HE21 GLN A 42 24.691 -4.290 -0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 42 26.074 -4.346 -1.650 1.00 0.00 H new ATOM 417 N TYR A 43 21.364 0.568 -3.997 1.00 0.00 N ATOM 418 CA TYR A 43 21.329 1.923 -4.533 1.00 0.00 C ATOM 419 C TYR A 43 20.694 1.953 -5.920 1.00 0.00 C ATOM 420 O TYR A 43 21.174 2.655 -6.812 1.00 0.00 O ATOM 421 CB TYR A 43 22.746 2.499 -4.629 1.00 0.00 C ATOM 422 CG TYR A 43 23.447 2.707 -3.304 1.00 0.00 C ATOM 423 CD1 TYR A 43 23.256 3.871 -2.571 1.00 0.00 C ATOM 424 CD2 TYR A 43 24.316 1.749 -2.799 1.00 0.00 C ATOM 425 CE1 TYR A 43 23.913 4.075 -1.373 1.00 0.00 C ATOM 426 CE2 TYR A 43 24.973 1.943 -1.600 1.00 0.00 C ATOM 427 CZ TYR A 43 24.770 3.106 -0.892 1.00 0.00 C ATOM 428 OH TYR A 43 25.433 3.307 0.296 1.00 0.00 O ATOM 0 H TYR A 43 21.668 -0.139 -4.666 1.00 0.00 H new ATOM 0 HA TYR A 43 20.728 2.526 -3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 43 23.352 1.831 -5.242 1.00 0.00 H new ATOM 0 HB3 TYR A 43 22.698 3.455 -5.151 1.00 0.00 H new ATOM 0 HD1 TYR A 43 22.583 4.629 -2.944 1.00 0.00 H new ATOM 0 HD2 TYR A 43 24.481 0.837 -3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 43 23.757 4.987 -0.816 1.00 0.00 H new ATOM 0 HE2 TYR A 43 25.643 1.186 -1.220 1.00 0.00 H new ATOM 0 HH TYR A 43 25.996 2.529 0.492 1.00 0.00 H new ATOM 438 N CYS A 44 19.631 1.189 -6.116 1.00 0.00 N ATOM 439 CA CYS A 44 18.950 1.179 -7.403 1.00 0.00 C ATOM 440 C CYS A 44 17.434 0.962 -7.268 1.00 0.00 C ATOM 441 O CYS A 44 16.672 1.904 -7.483 1.00 0.00 O ATOM 442 CB CYS A 44 19.594 0.166 -8.358 1.00 0.00 C ATOM 443 SG CYS A 44 20.960 0.842 -9.329 1.00 0.00 S ATOM 0 H CYS A 44 19.224 0.575 -5.411 1.00 0.00 H new ATOM 0 HA CYS A 44 19.073 2.171 -7.839 1.00 0.00 H new ATOM 0 HB2 CYS A 44 19.958 -0.683 -7.780 1.00 0.00 H new ATOM 0 HB3 CYS A 44 18.831 -0.214 -9.038 1.00 0.00 H new ATOM 0 HG CYS A 44 21.553 1.778 -8.650 1.00 0.00 H new ATOM 449 N PRO A 45 16.943 -0.245 -6.907 1.00 0.00 N ATOM 450 CA PRO A 45 15.515 -0.483 -6.806 1.00 0.00 C ATOM 451 C PRO A 45 14.988 -0.193 -5.404 1.00 0.00 C ATOM 452 O PRO A 45 15.688 -0.393 -4.409 1.00 0.00 O ATOM 453 CB PRO A 45 15.389 -1.966 -7.155 1.00 0.00 C ATOM 454 CG PRO A 45 16.725 -2.580 -6.856 1.00 0.00 C ATOM 455 CD PRO A 45 17.696 -1.461 -6.563 1.00 0.00 C ATOM 0 HA PRO A 45 14.930 0.165 -7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.603 -2.439 -6.567 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.126 -2.098 -8.204 1.00 0.00 H new ATOM 0 HG2 PRO A 45 16.652 -3.255 -6.003 1.00 0.00 H new ATOM 0 HG3 PRO A 45 17.070 -3.173 -7.703 1.00 0.00 H new ATOM 0 HD2 PRO A 45 18.001 -1.460 -5.517 1.00 0.00 H new ATOM 0 HD3 PRO A 45 18.603 -1.552 -7.160 1.00 0.00 H new ATOM 463 N CYS A 46 13.758 0.285 -5.330 1.00 0.00 N ATOM 464 CA CYS A 46 13.162 0.663 -4.058 1.00 0.00 C ATOM 465 C CYS A 46 12.642 -0.564 -3.315 1.00 0.00 C ATOM 466 O CYS A 46 12.285 -1.576 -3.927 1.00 0.00 O ATOM 467 CB CYS A 46 12.036 1.661 -4.302 1.00 0.00 C ATOM 468 SG CYS A 46 12.539 3.101 -5.270 1.00 0.00 S ATOM 0 H CYS A 46 13.150 0.421 -6.138 1.00 0.00 H new ATOM 0 HA CYS A 46 13.925 1.129 -3.434 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.219 1.155 -4.817 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.647 1.998 -3.341 1.00 0.00 H new ATOM 0 HG CYS A 46 11.521 3.893 -5.430 1.00 0.00 H new ATOM 474 N LEU A 47 12.635 -0.494 -1.994 1.00 0.00 N ATOM 475 CA LEU A 47 12.188 -1.598 -1.193 1.00 0.00 C ATOM 476 C LEU A 47 10.699 -1.572 -0.936 1.00 0.00 C ATOM 477 O LEU A 47 10.117 -0.573 -0.486 1.00 0.00 O ATOM 478 CB LEU A 47 12.976 -1.670 0.098 1.00 0.00 C ATOM 479 CG LEU A 47 13.973 -2.809 0.085 1.00 0.00 C ATOM 480 CD1 LEU A 47 14.989 -2.675 1.202 1.00 0.00 C ATOM 481 CD2 LEU A 47 13.229 -4.119 0.179 1.00 0.00 C ATOM 0 H LEU A 47 12.937 0.322 -1.462 1.00 0.00 H new ATOM 0 HA LEU A 47 12.377 -2.507 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.502 -0.728 0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.290 -1.797 0.936 1.00 0.00 H new ATOM 0 HG LEU A 47 14.531 -2.778 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.688 -3.511 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.535 -1.739 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.475 -2.679 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.942 -4.944 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.655 -4.146 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.552 -4.215 -0.670 1.00 0.00 H new ATOM 493 N TYR A 48 10.112 -2.725 -1.187 1.00 0.00 N ATOM 494 CA TYR A 48 8.675 -2.906 -1.167 1.00 0.00 C ATOM 495 C TYR A 48 8.006 -2.132 -2.299 1.00 0.00 C ATOM 496 O TYR A 48 7.681 -2.724 -3.313 1.00 0.00 O ATOM 497 CB TYR A 48 8.106 -2.566 0.205 1.00 0.00 C ATOM 498 CG TYR A 48 8.771 -3.388 1.283 1.00 0.00 C ATOM 499 CD1 TYR A 48 8.875 -4.762 1.144 1.00 0.00 C ATOM 500 CD2 TYR A 48 9.320 -2.797 2.410 1.00 0.00 C ATOM 501 CE1 TYR A 48 9.504 -5.528 2.094 1.00 0.00 C ATOM 502 CE2 TYR A 48 9.951 -3.559 3.375 1.00 0.00 C ATOM 503 CZ TYR A 48 10.041 -4.927 3.211 1.00 0.00 C ATOM 504 OH TYR A 48 10.674 -5.692 4.162 1.00 0.00 O ATOM 0 H TYR A 48 10.628 -3.575 -1.414 1.00 0.00 H new ATOM 0 HA TYR A 48 8.453 -3.958 -1.345 1.00 0.00 H new ATOM 0 HB2 TYR A 48 8.250 -1.505 0.410 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.032 -2.749 0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.453 -5.240 0.272 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.254 -1.726 2.536 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.577 -6.598 1.966 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.371 -3.088 4.251 1.00 0.00 H new ATOM 0 HH TYR A 48 10.997 -5.114 4.885 1.00 0.00 H new ATOM 514 N ILE A 49 7.827 -0.827 -2.188 1.00 0.00 N ATOM 515 CA ILE A 49 7.154 -0.123 -3.269 1.00 0.00 C ATOM 516 C ILE A 49 8.139 0.271 -4.368 1.00 0.00 C ATOM 517 O ILE A 49 9.139 0.946 -4.125 1.00 0.00 O ATOM 518 CB ILE A 49 6.347 1.102 -2.810 1.00 0.00 C ATOM 519 CG1 ILE A 49 5.392 1.480 -3.935 1.00 0.00 C ATOM 520 CG2 ILE A 49 7.240 2.274 -2.430 1.00 0.00 C ATOM 521 CD1 ILE A 49 4.800 2.846 -3.797 1.00 0.00 C ATOM 0 H ILE A 49 8.122 -0.253 -1.398 1.00 0.00 H new ATOM 0 HA ILE A 49 6.430 -0.833 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 49 5.791 0.848 -1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.924 1.420 -4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.585 0.748 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.622 3.114 -2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.899 1.979 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.839 2.569 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.132 3.040 -4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.238 2.907 -2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.597 3.589 -3.789 1.00 0.00 H new ATOM 533 N VAL A 50 7.855 -0.183 -5.580 1.00 0.00 N ATOM 534 CA VAL A 50 8.702 0.110 -6.725 1.00 0.00 C ATOM 535 C VAL A 50 8.061 1.133 -7.647 1.00 0.00 C ATOM 536 O VAL A 50 8.753 1.793 -8.421 1.00 0.00 O ATOM 537 CB VAL A 50 9.029 -1.155 -7.550 1.00 0.00 C ATOM 538 CG1 VAL A 50 10.053 -2.017 -6.827 1.00 0.00 C ATOM 539 CG2 VAL A 50 7.771 -1.959 -7.843 1.00 0.00 C ATOM 0 H VAL A 50 7.041 -0.758 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 50 9.627 0.514 -6.313 1.00 0.00 H new ATOM 0 HB VAL A 50 9.454 -0.833 -8.501 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.270 -2.903 -7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.970 -1.446 -6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.654 -2.321 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.032 -2.843 -8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.308 -2.265 -6.905 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.071 -1.345 -8.410 1.00 0.00 H new ATOM 549 N GLN A 51 6.745 1.281 -7.564 1.00 0.00 N ATOM 550 CA GLN A 51 6.039 2.132 -8.494 1.00 0.00 C ATOM 551 C GLN A 51 4.722 2.597 -7.894 1.00 0.00 C ATOM 552 O GLN A 51 4.072 1.860 -7.152 1.00 0.00 O ATOM 553 CB GLN A 51 5.814 1.382 -9.819 1.00 0.00 C ATOM 554 CG GLN A 51 4.389 1.460 -10.350 1.00 0.00 C ATOM 555 CD GLN A 51 4.195 0.691 -11.640 1.00 0.00 C ATOM 556 OE1 GLN A 51 5.112 0.560 -12.450 1.00 0.00 O ATOM 557 NE2 GLN A 51 2.997 0.173 -11.836 1.00 0.00 N ATOM 0 H GLN A 51 6.156 0.825 -6.867 1.00 0.00 H new ATOM 0 HA GLN A 51 6.641 3.017 -8.698 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.492 1.786 -10.571 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.080 0.334 -9.679 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.704 1.072 -9.596 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.125 2.505 -10.513 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.264 0.305 -11.139 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.804 -0.359 -12.684 1.00 0.00 H new ATOM 566 N VAL A 52 4.363 3.830 -8.197 1.00 0.00 N ATOM 567 CA VAL A 52 3.072 4.371 -7.826 1.00 0.00 C ATOM 568 C VAL A 52 2.541 5.192 -8.990 1.00 0.00 C ATOM 569 O VAL A 52 3.306 5.592 -9.872 1.00 0.00 O ATOM 570 CB VAL A 52 3.152 5.256 -6.560 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.792 6.603 -6.859 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.783 5.443 -5.933 1.00 0.00 C ATOM 0 H VAL A 52 4.958 4.483 -8.707 1.00 0.00 H new ATOM 0 HA VAL A 52 2.404 3.540 -7.597 1.00 0.00 H new ATOM 0 HB VAL A 52 3.787 4.736 -5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.831 7.198 -5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.803 6.450 -7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.201 7.128 -7.609 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.872 6.069 -5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.117 5.922 -6.650 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.376 4.472 -5.652 1.00 0.00 H new ATOM 582 N PHE A 53 1.246 5.428 -9.010 1.00 0.00 N ATOM 583 CA PHE A 53 0.649 6.227 -10.065 1.00 0.00 C ATOM 584 C PHE A 53 0.533 7.682 -9.610 1.00 0.00 C ATOM 585 O PHE A 53 1.452 8.187 -8.969 1.00 0.00 O ATOM 586 CB PHE A 53 -0.697 5.632 -10.475 1.00 0.00 C ATOM 587 CG PHE A 53 -0.571 4.217 -10.974 1.00 0.00 C ATOM 588 CD1 PHE A 53 -0.018 3.956 -12.218 1.00 0.00 C ATOM 589 CD2 PHE A 53 -0.989 3.149 -10.197 1.00 0.00 C ATOM 590 CE1 PHE A 53 0.112 2.658 -12.675 1.00 0.00 C ATOM 591 CE2 PHE A 53 -0.859 1.850 -10.650 1.00 0.00 C ATOM 592 CZ PHE A 53 -0.309 1.604 -11.890 1.00 0.00 C ATOM 0 H PHE A 53 0.587 5.081 -8.313 1.00 0.00 H new ATOM 0 HA PHE A 53 1.287 6.213 -10.949 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.376 5.655 -9.623 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.143 6.251 -11.254 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.315 4.776 -12.837 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.422 3.334 -9.225 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.543 2.469 -13.647 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.188 1.027 -10.033 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.208 0.589 -12.246 1.00 0.00 H new ATOM 602 N ASP A 54 -0.552 8.373 -9.938 1.00 0.00 N ATOM 603 CA ASP A 54 -0.690 9.770 -9.513 1.00 0.00 C ATOM 604 C ASP A 54 -2.031 10.044 -8.846 1.00 0.00 C ATOM 605 O ASP A 54 -2.099 10.701 -7.813 1.00 0.00 O ATOM 606 CB ASP A 54 -0.519 10.709 -10.702 1.00 0.00 C ATOM 607 CG ASP A 54 -0.416 12.159 -10.270 1.00 0.00 C ATOM 608 OD1 ASP A 54 -1.463 12.819 -10.117 1.00 0.00 O ATOM 609 OD2 ASP A 54 0.718 12.641 -10.065 1.00 0.00 O ATOM 0 H ASP A 54 -1.333 8.006 -10.482 1.00 0.00 H new ATOM 0 HA ASP A 54 0.094 9.952 -8.779 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.377 10.432 -11.257 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.364 10.592 -11.381 1.00 0.00 H new ATOM 614 N ASN A 55 -3.086 9.508 -9.426 1.00 0.00 N ATOM 615 CA ASN A 55 -4.444 9.809 -9.002 1.00 0.00 C ATOM 616 C ASN A 55 -4.963 8.710 -8.110 1.00 0.00 C ATOM 617 O ASN A 55 -6.156 8.625 -7.827 1.00 0.00 O ATOM 618 CB ASN A 55 -5.377 9.991 -10.202 1.00 0.00 C ATOM 619 CG ASN A 55 -5.382 11.404 -10.742 1.00 0.00 C ATOM 620 OD1 ASN A 55 -6.414 11.901 -11.197 1.00 0.00 O ATOM 621 ND2 ASN A 55 -4.236 12.055 -10.715 1.00 0.00 N ATOM 0 H ASN A 55 -3.029 8.851 -10.204 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.421 10.747 -8.447 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.076 9.307 -10.995 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.391 9.716 -9.911 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.181 13.006 -11.079 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.404 11.608 -10.330 1.00 0.00 H new ATOM 628 N THR A 56 -4.054 7.874 -7.661 1.00 0.00 N ATOM 629 CA THR A 56 -4.401 6.808 -6.768 1.00 0.00 C ATOM 630 C THR A 56 -4.227 7.314 -5.364 1.00 0.00 C ATOM 631 O THR A 56 -3.290 8.060 -5.125 1.00 0.00 O ATOM 632 CB THR A 56 -3.506 5.582 -6.991 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.141 5.889 -6.663 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.578 5.146 -8.433 1.00 0.00 C ATOM 0 H THR A 56 -3.065 7.918 -7.905 1.00 0.00 H new ATOM 0 HA THR A 56 -5.431 6.500 -6.950 1.00 0.00 H new ATOM 0 HB THR A 56 -3.860 4.779 -6.345 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.547 5.239 -7.094 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.940 4.275 -8.582 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.607 4.889 -8.684 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.240 5.958 -9.076 1.00 0.00 H new ATOM 642 N PRO A 57 -5.105 6.961 -4.429 1.00 0.00 N ATOM 643 CA PRO A 57 -5.065 7.522 -3.079 1.00 0.00 C ATOM 644 C PRO A 57 -3.653 7.477 -2.498 1.00 0.00 C ATOM 645 O PRO A 57 -3.200 8.413 -1.831 1.00 0.00 O ATOM 646 CB PRO A 57 -6.002 6.605 -2.280 1.00 0.00 C ATOM 647 CG PRO A 57 -6.305 5.449 -3.184 1.00 0.00 C ATOM 648 CD PRO A 57 -6.172 5.973 -4.579 1.00 0.00 C ATOM 0 HA PRO A 57 -5.363 8.570 -3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.528 6.268 -1.358 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.914 7.129 -1.996 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.614 4.625 -3.009 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.310 5.066 -3.005 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.905 5.188 -5.287 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.098 6.423 -4.936 1.00 0.00 H new ATOM 656 N ALA A 58 -2.966 6.379 -2.804 1.00 0.00 N ATOM 657 CA ALA A 58 -1.573 6.174 -2.428 1.00 0.00 C ATOM 658 C ALA A 58 -0.683 7.323 -2.902 1.00 0.00 C ATOM 659 O ALA A 58 0.005 7.956 -2.093 1.00 0.00 O ATOM 660 CB ALA A 58 -1.076 4.863 -3.010 1.00 0.00 C ATOM 0 H ALA A 58 -3.367 5.599 -3.326 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.520 6.141 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.034 4.711 -2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.680 4.042 -2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.157 4.893 -4.097 1.00 0.00 H new ATOM 666 N ALA A 59 -0.696 7.592 -4.208 1.00 0.00 N ATOM 667 CA ALA A 59 0.115 8.668 -4.767 1.00 0.00 C ATOM 668 C ALA A 59 -0.501 10.017 -4.433 1.00 0.00 C ATOM 669 O ALA A 59 0.136 10.884 -3.834 1.00 0.00 O ATOM 670 CB ALA A 59 0.202 8.517 -6.271 1.00 0.00 C ATOM 0 H ALA A 59 -1.255 7.083 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 59 1.114 8.613 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.809 9.323 -6.683 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.659 7.558 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.799 8.561 -6.700 1.00 0.00 H new ATOM 676 N LEU A 60 -1.750 10.150 -4.850 1.00 0.00 N ATOM 677 CA LEU A 60 -2.560 11.355 -4.699 1.00 0.00 C ATOM 678 C LEU A 60 -2.421 12.020 -3.331 1.00 0.00 C ATOM 679 O LEU A 60 -1.735 13.032 -3.182 1.00 0.00 O ATOM 680 CB LEU A 60 -4.010 10.901 -4.878 1.00 0.00 C ATOM 681 CG LEU A 60 -5.049 11.939 -5.305 1.00 0.00 C ATOM 682 CD1 LEU A 60 -5.326 12.950 -4.201 1.00 0.00 C ATOM 683 CD2 LEU A 60 -4.603 12.643 -6.572 1.00 0.00 C ATOM 0 H LEU A 60 -2.249 9.395 -5.321 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.234 12.097 -5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.018 10.099 -5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.341 10.468 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.981 11.410 -5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.069 13.669 -4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.703 12.432 -3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.404 13.474 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.353 13.378 -6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.652 13.145 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.483 11.912 -7.371 1.00 0.00 H new ATOM 695 N ASP A 61 -3.074 11.436 -2.339 1.00 0.00 N ATOM 696 CA ASP A 61 -3.174 12.059 -1.032 1.00 0.00 C ATOM 697 C ASP A 61 -2.119 11.542 -0.081 1.00 0.00 C ATOM 698 O ASP A 61 -1.571 12.297 0.719 1.00 0.00 O ATOM 699 CB ASP A 61 -4.560 11.838 -0.432 1.00 0.00 C ATOM 700 CG ASP A 61 -4.738 12.570 0.884 1.00 0.00 C ATOM 701 OD1 ASP A 61 -4.962 13.800 0.857 1.00 0.00 O ATOM 702 OD2 ASP A 61 -4.669 11.928 1.946 1.00 0.00 O ATOM 0 H ASP A 61 -3.542 10.533 -2.415 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.009 13.127 -1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.318 12.175 -1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.721 10.771 -0.277 1.00 0.00 H new ATOM 707 N GLY A 62 -1.841 10.250 -0.178 1.00 0.00 N ATOM 708 CA GLY A 62 -1.040 9.602 0.846 1.00 0.00 C ATOM 709 C GLY A 62 0.376 10.131 0.921 1.00 0.00 C ATOM 710 O GLY A 62 0.690 10.895 1.833 1.00 0.00 O ATOM 0 H GLY A 62 -2.150 9.643 -0.937 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.523 9.736 1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.010 8.530 0.650 1.00 0.00 H new ATOM 714 N THR A 63 1.190 9.735 -0.064 1.00 0.00 N ATOM 715 CA THR A 63 2.605 10.136 -0.213 1.00 0.00 C ATOM 716 C THR A 63 3.448 8.889 -0.447 1.00 0.00 C ATOM 717 O THR A 63 4.666 8.960 -0.610 1.00 0.00 O ATOM 718 CB THR A 63 3.203 10.913 0.995 1.00 0.00 C ATOM 719 OG1 THR A 63 4.424 11.564 0.606 1.00 0.00 O ATOM 720 CG2 THR A 63 3.490 9.983 2.165 1.00 0.00 C ATOM 0 H THR A 63 0.879 9.107 -0.805 1.00 0.00 H new ATOM 0 HA THR A 63 2.628 10.825 -1.057 1.00 0.00 H new ATOM 0 HB THR A 63 2.467 11.653 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.955 10.958 0.049 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.907 10.557 2.992 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.564 9.505 2.485 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.205 9.220 1.856 1.00 0.00 H new ATOM 728 N VAL A 64 2.773 7.748 -0.469 1.00 0.00 N ATOM 729 CA VAL A 64 3.399 6.456 -0.593 1.00 0.00 C ATOM 730 C VAL A 64 3.861 6.179 -2.036 1.00 0.00 C ATOM 731 O VAL A 64 3.445 5.265 -2.737 1.00 0.00 O ATOM 732 CB VAL A 64 2.511 5.376 0.087 1.00 0.00 C ATOM 733 CG1 VAL A 64 1.980 4.272 -0.803 1.00 0.00 C ATOM 734 CG2 VAL A 64 3.283 4.853 1.255 1.00 0.00 C ATOM 0 H VAL A 64 1.756 7.703 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 64 4.339 6.427 -0.042 1.00 0.00 H new ATOM 0 HB VAL A 64 1.584 5.860 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.377 3.585 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.366 4.705 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.815 3.730 -1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.697 4.089 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.220 4.419 0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.495 5.669 1.946 1.00 0.00 H new ATOM 744 N ALA A 65 4.701 7.068 -2.497 1.00 0.00 N ATOM 745 CA ALA A 65 5.227 6.989 -3.840 1.00 0.00 C ATOM 746 C ALA A 65 6.452 6.087 -3.872 1.00 0.00 C ATOM 747 O ALA A 65 6.932 5.643 -2.826 1.00 0.00 O ATOM 748 CB ALA A 65 5.555 8.376 -4.367 1.00 0.00 C ATOM 0 H ALA A 65 5.040 7.865 -1.958 1.00 0.00 H new ATOM 0 HA ALA A 65 4.467 6.556 -4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.950 8.296 -5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.651 8.985 -4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.300 8.843 -3.723 1.00 0.00 H new ATOM 754 N ALA A 66 6.948 5.813 -5.069 1.00 0.00 N ATOM 755 CA ALA A 66 8.067 4.902 -5.244 1.00 0.00 C ATOM 756 C ALA A 66 9.285 5.368 -4.454 1.00 0.00 C ATOM 757 O ALA A 66 9.730 6.508 -4.599 1.00 0.00 O ATOM 758 CB ALA A 66 8.399 4.772 -6.719 1.00 0.00 C ATOM 0 H ALA A 66 6.590 6.211 -5.937 1.00 0.00 H new ATOM 0 HA ALA A 66 7.781 3.923 -4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.238 4.088 -6.844 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.532 4.384 -7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.665 5.750 -7.120 1.00 0.00 H new ATOM 764 N GLY A 67 9.806 4.495 -3.603 1.00 0.00 N ATOM 765 CA GLY A 67 10.954 4.852 -2.796 1.00 0.00 C ATOM 766 C GLY A 67 10.740 4.594 -1.319 1.00 0.00 C ATOM 767 O GLY A 67 11.699 4.562 -0.547 1.00 0.00 O ATOM 0 H GLY A 67 9.455 3.548 -3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.821 4.286 -3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.183 5.907 -2.946 1.00 0.00 H new ATOM 771 N ASP A 68 9.488 4.407 -0.919 1.00 0.00 N ATOM 772 CA ASP A 68 9.171 4.170 0.483 1.00 0.00 C ATOM 773 C ASP A 68 9.206 2.691 0.796 1.00 0.00 C ATOM 774 O ASP A 68 8.859 1.860 -0.037 1.00 0.00 O ATOM 775 CB ASP A 68 7.794 4.729 0.834 1.00 0.00 C ATOM 776 CG ASP A 68 7.789 6.236 0.977 1.00 0.00 C ATOM 777 OD1 ASP A 68 7.787 6.947 -0.052 1.00 0.00 O ATOM 778 OD2 ASP A 68 7.807 6.723 2.123 1.00 0.00 O ATOM 0 H ASP A 68 8.680 4.415 -1.542 1.00 0.00 H new ATOM 0 HA ASP A 68 9.924 4.682 1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.082 4.440 0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.452 4.279 1.766 1.00 0.00 H new ATOM 783 N GLU A 69 9.614 2.361 2.000 1.00 0.00 N ATOM 784 CA GLU A 69 9.673 0.974 2.408 1.00 0.00 C ATOM 785 C GLU A 69 8.343 0.572 3.020 1.00 0.00 C ATOM 786 O GLU A 69 8.134 0.689 4.231 1.00 0.00 O ATOM 787 CB GLU A 69 10.814 0.731 3.398 1.00 0.00 C ATOM 788 CG GLU A 69 12.214 0.885 2.810 1.00 0.00 C ATOM 789 CD GLU A 69 12.613 2.326 2.546 1.00 0.00 C ATOM 790 OE1 GLU A 69 12.071 3.236 3.205 1.00 0.00 O ATOM 791 OE2 GLU A 69 13.483 2.553 1.678 1.00 0.00 O ATOM 0 H GLU A 69 9.909 3.030 2.712 1.00 0.00 H new ATOM 0 HA GLU A 69 9.869 0.361 1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.707 1.425 4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.715 -0.275 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.936 0.437 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.269 0.326 1.876 1.00 0.00 H new ATOM 798 N ILE A 70 7.437 0.111 2.174 1.00 0.00 N ATOM 799 CA ILE A 70 6.088 -0.229 2.622 1.00 0.00 C ATOM 800 C ILE A 70 6.038 -1.669 3.120 1.00 0.00 C ATOM 801 O ILE A 70 5.861 -2.609 2.347 1.00 0.00 O ATOM 802 CB ILE A 70 5.033 0.004 1.515 1.00 0.00 C ATOM 803 CG1 ILE A 70 5.009 1.488 1.124 1.00 0.00 C ATOM 804 CG2 ILE A 70 3.652 -0.446 1.987 1.00 0.00 C ATOM 805 CD1 ILE A 70 3.931 1.852 0.124 1.00 0.00 C ATOM 0 H ILE A 70 7.605 -0.037 1.179 1.00 0.00 H new ATOM 0 HA ILE A 70 5.841 0.438 3.448 1.00 0.00 H new ATOM 0 HB ILE A 70 5.303 -0.588 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.870 2.087 2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.980 1.758 0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.923 -0.274 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.679 -1.508 2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.367 0.123 2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.985 2.918 -0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.079 1.283 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.952 1.617 0.542 1.00 0.00 H new ATOM 817 N THR A 71 6.196 -1.833 4.426 1.00 0.00 N ATOM 818 CA THR A 71 6.354 -3.152 5.012 1.00 0.00 C ATOM 819 C THR A 71 5.069 -3.657 5.678 1.00 0.00 C ATOM 820 O THR A 71 5.053 -4.751 6.246 1.00 0.00 O ATOM 821 CB THR A 71 7.511 -3.159 6.039 1.00 0.00 C ATOM 822 OG1 THR A 71 7.731 -4.486 6.535 1.00 0.00 O ATOM 823 CG2 THR A 71 7.214 -2.221 7.202 1.00 0.00 C ATOM 0 H THR A 71 6.218 -1.067 5.099 1.00 0.00 H new ATOM 0 HA THR A 71 6.589 -3.830 4.192 1.00 0.00 H new ATOM 0 HB THR A 71 8.411 -2.811 5.531 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.898 -4.999 6.477 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.043 -2.245 7.909 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.086 -1.206 6.827 1.00 0.00 H new ATOM 0 HG23 THR A 71 6.300 -2.541 7.703 1.00 0.00 H new ATOM 831 N GLY A 72 3.994 -2.881 5.613 1.00 0.00 N ATOM 832 CA GLY A 72 2.762 -3.305 6.244 1.00 0.00 C ATOM 833 C GLY A 72 1.533 -3.122 5.377 1.00 0.00 C ATOM 834 O GLY A 72 1.289 -2.044 4.834 1.00 0.00 O ATOM 0 H GLY A 72 3.954 -1.978 5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.848 -4.357 6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.628 -2.745 7.170 1.00 0.00 H new ATOM 838 N VAL A 73 0.747 -4.187 5.289 1.00 0.00 N ATOM 839 CA VAL A 73 -0.491 -4.211 4.565 1.00 0.00 C ATOM 840 C VAL A 73 -1.640 -4.036 5.546 1.00 0.00 C ATOM 841 O VAL A 73 -1.732 -4.772 6.528 1.00 0.00 O ATOM 842 CB VAL A 73 -0.662 -5.561 3.820 1.00 0.00 C ATOM 843 CG1 VAL A 73 0.078 -6.686 4.534 1.00 0.00 C ATOM 844 CG2 VAL A 73 -2.120 -5.925 3.746 1.00 0.00 C ATOM 0 H VAL A 73 0.970 -5.076 5.736 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.488 -3.404 3.833 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.247 -5.439 2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.062 -7.618 3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.141 -6.449 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.315 -6.796 5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.232 -6.874 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.523 -6.018 4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.662 -5.147 3.208 1.00 0.00 H new ATOM 854 N ASN A 74 -2.492 -3.052 5.303 1.00 0.00 N ATOM 855 CA ASN A 74 -3.668 -2.832 6.141 1.00 0.00 C ATOM 856 C ASN A 74 -3.265 -2.568 7.587 1.00 0.00 C ATOM 857 O ASN A 74 -4.058 -2.743 8.508 1.00 0.00 O ATOM 858 CB ASN A 74 -4.610 -4.038 6.077 1.00 0.00 C ATOM 859 CG ASN A 74 -5.216 -4.237 4.707 1.00 0.00 C ATOM 860 OD1 ASN A 74 -5.392 -3.286 3.944 1.00 0.00 O ATOM 861 ND2 ASN A 74 -5.549 -5.477 4.390 1.00 0.00 N ATOM 0 H ASN A 74 -2.394 -2.391 4.533 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.189 -1.955 5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.062 -4.937 6.361 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.409 -3.908 6.807 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.970 -5.676 3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.385 -6.234 5.053 1.00 0.00 H new ATOM 868 N GLY A 75 -2.023 -2.142 7.775 1.00 0.00 N ATOM 869 CA GLY A 75 -1.529 -1.863 9.104 1.00 0.00 C ATOM 870 C GLY A 75 -0.651 -2.967 9.670 1.00 0.00 C ATOM 871 O GLY A 75 0.103 -2.729 10.612 1.00 0.00 O ATOM 0 H GLY A 75 -1.349 -1.985 7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.961 -0.933 9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.376 -1.705 9.772 1.00 0.00 H new ATOM 875 N ARG A 76 -0.739 -4.170 9.115 1.00 0.00 N ATOM 876 CA ARG A 76 0.037 -5.281 9.593 1.00 0.00 C ATOM 877 C ARG A 76 1.078 -5.709 8.563 1.00 0.00 C ATOM 878 O ARG A 76 0.802 -5.718 7.374 1.00 0.00 O ATOM 879 CB ARG A 76 -0.915 -6.413 9.921 1.00 0.00 C ATOM 880 CG ARG A 76 -2.061 -6.576 8.939 1.00 0.00 C ATOM 881 CD ARG A 76 -3.163 -7.445 9.519 1.00 0.00 C ATOM 882 NE ARG A 76 -4.333 -7.510 8.646 1.00 0.00 N ATOM 883 CZ ARG A 76 -5.415 -6.741 8.789 1.00 0.00 C ATOM 884 NH1 ARG A 76 -5.456 -5.810 9.736 1.00 0.00 N ATOM 885 NH2 ARG A 76 -6.454 -6.898 7.977 1.00 0.00 N ATOM 0 H ARG A 76 -1.349 -4.390 8.328 1.00 0.00 H new ATOM 0 HA ARG A 76 0.587 -4.993 10.489 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.351 -7.345 9.960 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.327 -6.248 10.917 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.464 -5.597 8.681 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.691 -7.022 8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.780 -8.452 9.685 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.459 -7.052 10.492 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.322 -8.184 7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.658 -5.680 10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.285 -5.225 9.841 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.426 -7.606 7.244 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.280 -6.310 8.087 1.00 0.00 H new ATOM 899 N SER A 77 2.267 -6.071 9.038 1.00 0.00 N ATOM 900 CA SER A 77 3.409 -6.385 8.175 1.00 0.00 C ATOM 901 C SER A 77 3.050 -7.361 7.046 1.00 0.00 C ATOM 902 O SER A 77 2.247 -8.278 7.224 1.00 0.00 O ATOM 903 CB SER A 77 4.541 -6.952 9.030 1.00 0.00 C ATOM 904 OG SER A 77 4.920 -6.020 10.033 1.00 0.00 O ATOM 0 H SER A 77 2.469 -6.156 10.034 1.00 0.00 H new ATOM 0 HA SER A 77 3.727 -5.460 7.693 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.222 -7.885 9.494 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.399 -7.186 8.400 1.00 0.00 H new ATOM 0 HG SER A 77 5.645 -6.398 10.574 1.00 0.00 H new ATOM 910 N ILE A 78 3.655 -7.147 5.877 1.00 0.00 N ATOM 911 CA ILE A 78 3.352 -7.951 4.692 1.00 0.00 C ATOM 912 C ILE A 78 4.163 -9.235 4.706 1.00 0.00 C ATOM 913 O ILE A 78 3.840 -10.202 4.019 1.00 0.00 O ATOM 914 CB ILE A 78 3.654 -7.216 3.353 1.00 0.00 C ATOM 915 CG1 ILE A 78 5.138 -7.317 2.955 1.00 0.00 C ATOM 916 CG2 ILE A 78 3.229 -5.755 3.409 1.00 0.00 C ATOM 917 CD1 ILE A 78 6.085 -6.543 3.847 1.00 0.00 C ATOM 0 H ILE A 78 4.358 -6.424 5.725 1.00 0.00 H new ATOM 0 HA ILE A 78 2.282 -8.152 4.739 1.00 0.00 H new ATOM 0 HB ILE A 78 3.066 -7.722 2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.431 -8.367 2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.251 -6.960 1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.455 -5.274 2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.158 -5.695 3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.770 -5.249 4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.107 -6.672 3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.824 -5.485 3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.007 -6.914 4.869 1.00 0.00 H new ATOM 929 N LYS A 79 5.215 -9.220 5.512 1.00 0.00 N ATOM 930 CA LYS A 79 6.223 -10.267 5.524 1.00 0.00 C ATOM 931 C LYS A 79 5.633 -11.624 5.905 1.00 0.00 C ATOM 932 O LYS A 79 6.161 -12.669 5.526 1.00 0.00 O ATOM 933 CB LYS A 79 7.340 -9.860 6.487 1.00 0.00 C ATOM 934 CG LYS A 79 8.425 -10.910 6.667 1.00 0.00 C ATOM 935 CD LYS A 79 9.546 -10.419 7.572 1.00 0.00 C ATOM 936 CE LYS A 79 9.037 -10.051 8.960 1.00 0.00 C ATOM 937 NZ LYS A 79 8.392 -11.202 9.645 1.00 0.00 N ATOM 0 H LYS A 79 5.393 -8.472 6.182 1.00 0.00 H new ATOM 0 HA LYS A 79 6.627 -10.381 4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.798 -8.939 6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.902 -9.637 7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.988 -11.815 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.836 -11.178 5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.308 -11.194 7.659 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.024 -9.551 7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.868 -9.689 9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.322 -9.232 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.199 -10.952 10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.499 -11.435 9.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.027 -12.025 9.613 1.00 0.00 H new ATOM 951 N GLY A 80 4.530 -11.602 6.641 1.00 0.00 N ATOM 952 CA GLY A 80 3.874 -12.834 7.029 1.00 0.00 C ATOM 953 C GLY A 80 3.147 -13.501 5.876 1.00 0.00 C ATOM 954 O GLY A 80 2.782 -14.672 5.966 1.00 0.00 O ATOM 0 H GLY A 80 4.078 -10.752 6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.615 -13.524 7.433 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.163 -12.626 7.829 1.00 0.00 H new ATOM 958 N LYS A 81 2.932 -12.758 4.790 1.00 0.00 N ATOM 959 CA LYS A 81 2.232 -13.290 3.629 1.00 0.00 C ATOM 960 C LYS A 81 3.211 -13.488 2.480 1.00 0.00 C ATOM 961 O LYS A 81 4.180 -14.241 2.578 1.00 0.00 O ATOM 962 CB LYS A 81 1.119 -12.332 3.149 1.00 0.00 C ATOM 963 CG LYS A 81 0.075 -11.959 4.175 1.00 0.00 C ATOM 964 CD LYS A 81 0.648 -10.999 5.194 1.00 0.00 C ATOM 965 CE LYS A 81 -0.320 -10.760 6.343 1.00 0.00 C ATOM 966 NZ LYS A 81 0.354 -10.184 7.539 1.00 0.00 N ATOM 0 H LYS A 81 3.233 -11.788 4.694 1.00 0.00 H new ATOM 0 HA LYS A 81 1.785 -14.238 3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.587 -11.416 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.615 -12.790 2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.782 -11.503 3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.287 -12.857 4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.585 -11.397 5.583 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.881 -10.050 4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.111 -10.086 6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.797 -11.702 6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.339 -9.658 8.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.761 -10.951 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.112 -9.540 7.234 1.00 0.00 H new ATOM 980 N THR A 82 2.925 -12.783 1.401 1.00 0.00 N ATOM 981 CA THR A 82 3.753 -12.748 0.212 1.00 0.00 C ATOM 982 C THR A 82 3.085 -11.821 -0.793 1.00 0.00 C ATOM 983 O THR A 82 1.923 -11.458 -0.618 1.00 0.00 O ATOM 984 CB THR A 82 3.980 -14.148 -0.411 1.00 0.00 C ATOM 985 OG1 THR A 82 4.883 -14.058 -1.525 1.00 0.00 O ATOM 986 CG2 THR A 82 2.676 -14.769 -0.872 1.00 0.00 C ATOM 0 H THR A 82 2.088 -12.204 1.327 1.00 0.00 H new ATOM 0 HA THR A 82 4.742 -12.383 0.489 1.00 0.00 H new ATOM 0 HB THR A 82 4.412 -14.784 0.362 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.019 -14.949 -1.908 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.873 -15.750 -1.304 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.003 -14.875 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.213 -14.128 -1.623 1.00 0.00 H new ATOM 994 N LYS A 83 3.818 -11.460 -1.827 1.00 0.00 N ATOM 995 CA LYS A 83 3.401 -10.441 -2.793 1.00 0.00 C ATOM 996 C LYS A 83 1.992 -10.683 -3.322 1.00 0.00 C ATOM 997 O LYS A 83 1.139 -9.798 -3.282 1.00 0.00 O ATOM 998 CB LYS A 83 4.388 -10.417 -3.961 1.00 0.00 C ATOM 999 CG LYS A 83 5.673 -11.162 -3.653 1.00 0.00 C ATOM 1000 CD LYS A 83 6.764 -10.883 -4.667 1.00 0.00 C ATOM 1001 CE LYS A 83 7.264 -9.453 -4.565 1.00 0.00 C ATOM 1002 NZ LYS A 83 8.520 -9.260 -5.329 1.00 0.00 N ATOM 0 H LYS A 83 4.732 -11.865 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 83 3.394 -9.481 -2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.917 -10.859 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.623 -9.383 -4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.024 -10.880 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.471 -12.233 -3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.594 -11.572 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.384 -11.066 -5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.500 -8.772 -4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.431 -9.199 -3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.933 -8.336 -5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.194 -10.013 -5.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.315 -9.296 -6.348 1.00 0.00 H new ATOM 1016 N VAL A 84 1.750 -11.875 -3.822 1.00 0.00 N ATOM 1017 CA VAL A 84 0.460 -12.211 -4.377 1.00 0.00 C ATOM 1018 C VAL A 84 -0.654 -12.130 -3.320 1.00 0.00 C ATOM 1019 O VAL A 84 -1.752 -11.637 -3.591 1.00 0.00 O ATOM 1020 CB VAL A 84 0.507 -13.610 -5.018 1.00 0.00 C ATOM 1021 CG1 VAL A 84 0.840 -14.683 -3.997 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -0.799 -13.906 -5.689 1.00 0.00 C ATOM 0 H VAL A 84 2.435 -12.630 -3.855 1.00 0.00 H new ATOM 0 HA VAL A 84 0.225 -11.477 -5.148 1.00 0.00 H new ATOM 0 HB VAL A 84 1.302 -13.615 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.864 -15.656 -4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.814 -14.475 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.081 -14.689 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.760 -14.897 -6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.602 -13.875 -4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.987 -13.162 -6.463 1.00 0.00 H new ATOM 1032 N GLU A 85 -0.348 -12.581 -2.112 1.00 0.00 N ATOM 1033 CA GLU A 85 -1.323 -12.624 -1.030 1.00 0.00 C ATOM 1034 C GLU A 85 -1.616 -11.240 -0.457 1.00 0.00 C ATOM 1035 O GLU A 85 -2.767 -10.918 -0.176 1.00 0.00 O ATOM 1036 CB GLU A 85 -0.829 -13.555 0.075 1.00 0.00 C ATOM 1037 CG GLU A 85 -0.691 -14.996 -0.382 1.00 0.00 C ATOM 1038 CD GLU A 85 -0.637 -15.976 0.768 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -1.704 -16.282 1.336 1.00 0.00 O ATOM 1040 OE2 GLU A 85 0.466 -16.455 1.105 1.00 0.00 O ATOM 0 H GLU A 85 0.577 -12.926 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.256 -13.005 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.136 -13.200 0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.521 -13.511 0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.531 -15.249 -1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.214 -15.097 -0.981 1.00 0.00 H new ATOM 1047 N VAL A 86 -0.577 -10.434 -0.265 1.00 0.00 N ATOM 1048 CA VAL A 86 -0.737 -9.091 0.287 1.00 0.00 C ATOM 1049 C VAL A 86 -1.681 -8.232 -0.559 1.00 0.00 C ATOM 1050 O VAL A 86 -2.520 -7.516 -0.018 1.00 0.00 O ATOM 1051 CB VAL A 86 0.616 -8.368 0.449 1.00 0.00 C ATOM 1052 CG1 VAL A 86 1.543 -9.156 1.351 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.293 -8.114 -0.878 1.00 0.00 C ATOM 0 H VAL A 86 0.387 -10.687 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.180 -9.223 1.274 1.00 0.00 H new ATOM 0 HB VAL A 86 0.401 -7.402 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.491 -8.627 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.085 -9.269 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.721 -10.141 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.241 -7.603 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.476 -9.064 -1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.651 -7.492 -1.501 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.528 -8.306 -1.878 1.00 0.00 N ATOM 1064 CA ALA A 87 -2.446 -7.635 -2.803 1.00 0.00 C ATOM 1065 C ALA A 87 -3.892 -8.024 -2.510 1.00 0.00 C ATOM 1066 O ALA A 87 -4.781 -7.169 -2.500 1.00 0.00 O ATOM 1067 CB ALA A 87 -2.099 -7.963 -4.244 1.00 0.00 C ATOM 0 H ALA A 87 -0.777 -8.824 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.339 -6.560 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.794 -7.453 -4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.083 -7.632 -4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.170 -9.039 -4.399 1.00 0.00 H new ATOM 1073 N LYS A 88 -4.125 -9.313 -2.259 1.00 0.00 N ATOM 1074 CA LYS A 88 -5.455 -9.775 -1.886 1.00 0.00 C ATOM 1075 C LYS A 88 -5.864 -9.180 -0.553 1.00 0.00 C ATOM 1076 O LYS A 88 -6.952 -8.639 -0.425 1.00 0.00 O ATOM 1077 CB LYS A 88 -5.535 -11.286 -1.791 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.901 -11.744 -1.331 1.00 0.00 C ATOM 1079 CD LYS A 88 -7.057 -13.234 -1.438 1.00 0.00 C ATOM 1080 CE LYS A 88 -6.093 -13.944 -0.520 1.00 0.00 C ATOM 1081 NZ LYS A 88 -6.240 -15.421 -0.582 1.00 0.00 N ATOM 0 H LYS A 88 -3.417 -10.045 -2.307 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.133 -9.446 -2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.312 -11.724 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.777 -11.648 -1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.058 -11.436 -0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.669 -11.255 -1.930 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.079 -13.516 -1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.884 -13.549 -2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.072 -13.671 -0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.255 -13.608 0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.558 -15.865 0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.206 -15.686 -0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.060 -15.747 -1.553 1.00 0.00 H new ATOM 1095 N MET A 89 -4.981 -9.294 0.434 1.00 0.00 N ATOM 1096 CA MET A 89 -5.227 -8.747 1.760 1.00 0.00 C ATOM 1097 C MET A 89 -5.676 -7.299 1.674 1.00 0.00 C ATOM 1098 O MET A 89 -6.650 -6.892 2.311 1.00 0.00 O ATOM 1099 CB MET A 89 -3.980 -8.866 2.596 1.00 0.00 C ATOM 1100 CG MET A 89 -3.612 -10.303 2.850 1.00 0.00 C ATOM 1101 SD MET A 89 -4.930 -11.229 3.658 1.00 0.00 S ATOM 1102 CE MET A 89 -4.192 -12.858 3.745 1.00 0.00 C ATOM 0 H MET A 89 -4.081 -9.765 0.337 1.00 0.00 H new ATOM 0 HA MET A 89 -6.028 -9.317 2.231 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.155 -8.363 2.091 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.130 -8.356 3.547 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.365 -10.783 1.903 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.716 -10.340 3.469 1.00 0.00 H new ATOM 0 HE1 MET A 89 -4.888 -13.548 4.222 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.966 -13.209 2.738 1.00 0.00 H new ATOM 0 HE3 MET A 89 -3.272 -12.810 4.328 1.00 0.00 H new ATOM 1112 N ILE A 90 -4.962 -6.535 0.862 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.312 -5.155 0.584 1.00 0.00 C ATOM 1114 C ILE A 90 -6.711 -5.060 -0.026 1.00 0.00 C ATOM 1115 O ILE A 90 -7.584 -4.399 0.524 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.270 -4.515 -0.363 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -2.953 -4.274 0.381 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -4.785 -3.220 -0.974 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -3.046 -3.227 1.474 1.00 0.00 C ATOM 0 H ILE A 90 -4.124 -6.856 0.378 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.312 -4.608 1.527 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.091 -5.213 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.618 -5.214 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.192 -3.968 -0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.025 -2.801 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.690 -3.423 -1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.010 -2.507 -0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.074 -3.114 1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.350 -2.274 1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.782 -3.539 2.215 1.00 0.00 H new ATOM 1131 N GLN A 91 -6.932 -5.749 -1.140 1.00 0.00 N ATOM 1132 CA GLN A 91 -8.197 -5.666 -1.858 1.00 0.00 C ATOM 1133 C GLN A 91 -9.364 -6.238 -1.048 1.00 0.00 C ATOM 1134 O GLN A 91 -10.514 -5.852 -1.255 1.00 0.00 O ATOM 1135 CB GLN A 91 -8.083 -6.393 -3.192 1.00 0.00 C ATOM 1136 CG GLN A 91 -7.141 -5.717 -4.176 1.00 0.00 C ATOM 1137 CD GLN A 91 -7.113 -6.411 -5.521 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -8.102 -7.007 -5.946 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -5.983 -6.337 -6.205 1.00 0.00 N ATOM 0 H GLN A 91 -6.248 -6.374 -1.566 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.408 -4.610 -2.028 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -7.738 -7.411 -3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.073 -6.466 -3.642 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.446 -4.680 -4.312 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.134 -5.701 -3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.185 -5.833 -5.818 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.910 -6.784 -7.119 1.00 0.00 H new ATOM 1148 N GLU A 92 -9.058 -7.140 -0.125 1.00 0.00 N ATOM 1149 CA GLU A 92 -10.070 -7.805 0.683 1.00 0.00 C ATOM 1150 C GLU A 92 -10.824 -6.813 1.552 1.00 0.00 C ATOM 1151 O GLU A 92 -12.052 -6.856 1.650 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.414 -8.864 1.564 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.325 -9.382 2.657 1.00 0.00 C ATOM 1154 CD GLU A 92 -9.701 -10.496 3.460 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -8.891 -10.199 4.360 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -10.029 -11.672 3.211 1.00 0.00 O ATOM 0 H GLU A 92 -8.103 -7.431 0.084 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.784 -8.277 0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.095 -9.699 0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.516 -8.444 2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.586 -8.561 3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.254 -9.738 2.211 1.00 0.00 H new ATOM 1163 N VAL A 93 -10.072 -5.942 2.196 1.00 0.00 N ATOM 1164 CA VAL A 93 -10.646 -4.881 3.026 1.00 0.00 C ATOM 1165 C VAL A 93 -11.281 -3.791 2.147 1.00 0.00 C ATOM 1166 O VAL A 93 -10.953 -2.605 2.234 1.00 0.00 O ATOM 1167 CB VAL A 93 -9.581 -4.280 3.980 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -8.918 -5.390 4.777 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -8.528 -3.480 3.227 1.00 0.00 C ATOM 0 H VAL A 93 -9.052 -5.942 2.165 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.431 -5.319 3.643 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.092 -3.595 4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.171 -4.962 5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.671 -5.916 5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.436 -6.090 4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.802 -3.077 3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.019 -4.129 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.007 -2.660 2.693 1.00 0.00 H new ATOM 1179 N LYS A 94 -12.201 -4.225 1.297 1.00 0.00 N ATOM 1180 CA LYS A 94 -12.838 -3.377 0.300 1.00 0.00 C ATOM 1181 C LYS A 94 -13.233 -2.011 0.855 1.00 0.00 C ATOM 1182 O LYS A 94 -13.785 -1.894 1.944 1.00 0.00 O ATOM 1183 CB LYS A 94 -14.073 -4.083 -0.267 1.00 0.00 C ATOM 1184 CG LYS A 94 -15.056 -4.549 0.798 1.00 0.00 C ATOM 1185 CD LYS A 94 -16.304 -5.170 0.188 1.00 0.00 C ATOM 1186 CE LYS A 94 -17.146 -4.141 -0.551 1.00 0.00 C ATOM 1187 NZ LYS A 94 -17.602 -3.045 0.344 1.00 0.00 N ATOM 0 H LYS A 94 -12.530 -5.190 1.281 1.00 0.00 H new ATOM 0 HA LYS A 94 -12.107 -3.204 -0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.586 -3.406 -0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -13.751 -4.944 -0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.569 -5.277 1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -15.341 -3.703 1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -16.015 -5.964 -0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -16.902 -5.631 0.974 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -16.565 -3.720 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -18.013 -4.632 -0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -18.354 -2.503 -0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -17.969 -3.450 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.802 -2.415 0.557 1.00 0.00 H new ATOM 1201 N GLY A 95 -12.879 -0.976 0.122 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.380 0.341 0.431 1.00 0.00 C ATOM 1203 C GLY A 95 -12.336 1.243 1.034 1.00 0.00 C ATOM 1204 O GLY A 95 -12.311 2.436 0.745 1.00 0.00 O ATOM 0 H GLY A 95 -12.253 -1.022 -0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.766 0.799 -0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.218 0.252 1.123 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.448 0.684 1.841 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.526 1.497 2.594 1.00 0.00 C ATOM 1210 C GLU A 96 -9.111 0.964 2.473 1.00 0.00 C ATOM 1211 O GLU A 96 -8.870 -0.062 1.836 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.942 1.550 4.056 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.822 0.209 4.743 1.00 0.00 C ATOM 1214 CD GLU A 96 -11.220 0.258 6.201 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -12.432 0.336 6.489 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -10.322 0.223 7.070 1.00 0.00 O ATOM 0 H GLU A 96 -11.352 -0.321 1.986 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.549 2.506 2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.324 2.279 4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.973 1.898 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.449 -0.517 4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.794 -0.144 4.664 1.00 0.00 H new ATOM 1223 N VAL A 97 -8.193 1.673 3.094 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.776 1.444 2.936 1.00 0.00 C ATOM 1225 C VAL A 97 -5.999 1.873 4.187 1.00 0.00 C ATOM 1226 O VAL A 97 -6.218 2.957 4.723 1.00 0.00 O ATOM 1227 CB VAL A 97 -6.280 2.255 1.727 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -4.791 2.416 1.758 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -6.719 1.608 0.434 1.00 0.00 C ATOM 0 H VAL A 97 -8.416 2.437 3.733 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.608 0.378 2.783 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.726 3.248 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.469 2.993 0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -4.500 2.938 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.318 1.434 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.358 2.197 -0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.309 0.600 0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.807 1.559 0.403 1.00 0.00 H new ATOM 1239 N THR A 98 -5.091 1.029 4.644 1.00 0.00 N ATOM 1240 CA THR A 98 -4.214 1.382 5.749 1.00 0.00 C ATOM 1241 C THR A 98 -2.768 1.027 5.399 1.00 0.00 C ATOM 1242 O THR A 98 -2.442 -0.142 5.199 1.00 0.00 O ATOM 1243 CB THR A 98 -4.637 0.664 7.048 1.00 0.00 C ATOM 1244 OG1 THR A 98 -6.019 0.934 7.326 1.00 0.00 O ATOM 1245 CG2 THR A 98 -3.788 1.115 8.226 1.00 0.00 C ATOM 0 H THR A 98 -4.941 0.093 4.267 1.00 0.00 H new ATOM 0 HA THR A 98 -4.292 2.456 5.917 1.00 0.00 H new ATOM 0 HB THR A 98 -4.490 -0.407 6.905 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.283 0.475 8.151 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.109 0.592 9.127 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.741 0.887 8.028 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.905 2.189 8.369 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.907 2.035 5.311 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.522 1.811 4.915 1.00 0.00 C ATOM 1255 C ILE A 99 0.420 1.961 6.082 1.00 0.00 C ATOM 1256 O ILE A 99 0.443 2.992 6.752 1.00 0.00 O ATOM 1257 CB ILE A 99 -0.008 2.727 3.770 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.572 4.150 3.822 1.00 0.00 C ATOM 1259 CG2 ILE A 99 -0.276 2.091 2.414 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -2.036 4.271 3.468 1.00 0.00 C ATOM 0 H ILE A 99 -2.141 3.008 5.507 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.529 0.788 4.540 1.00 0.00 H new ATOM 0 HB ILE A 99 1.068 2.823 3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.423 4.547 4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.004 4.778 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.091 2.748 1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.237 1.131 2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.348 1.938 2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.341 5.315 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.196 3.910 2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.629 3.675 4.162 1.00 0.00 H new ATOM 1272 N HIS A 100 1.192 0.919 6.317 1.00 0.00 N ATOM 1273 CA HIS A 100 2.238 0.949 7.315 1.00 0.00 C ATOM 1274 C HIS A 100 3.590 0.860 6.641 1.00 0.00 C ATOM 1275 O HIS A 100 4.007 -0.209 6.202 1.00 0.00 O ATOM 1276 CB HIS A 100 2.094 -0.207 8.299 1.00 0.00 C ATOM 1277 CG HIS A 100 1.401 0.149 9.577 1.00 0.00 C ATOM 1278 ND1 HIS A 100 0.244 0.898 9.642 1.00 0.00 N ATOM 1279 CD2 HIS A 100 1.724 -0.146 10.858 1.00 0.00 C ATOM 1280 CE1 HIS A 100 -0.112 1.044 10.905 1.00 0.00 C ATOM 1281 NE2 HIS A 100 0.769 0.421 11.663 1.00 0.00 N ATOM 0 H HIS A 100 1.111 0.031 5.822 1.00 0.00 H new ATOM 0 HA HIS A 100 2.153 1.887 7.864 1.00 0.00 H new ATOM 0 HB2 HIS A 100 1.544 -1.014 7.815 1.00 0.00 H new ATOM 0 HB3 HIS A 100 3.086 -0.594 8.534 1.00 0.00 H new ATOM 0 HD2 HIS A 100 2.577 -0.722 11.186 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -0.979 1.583 11.258 1.00 0.00 H new ATOM 0 HE2 HIS A 100 0.744 0.369 12.681 1.00 0.00 H new ATOM 1290 N TYR A 101 4.267 1.976 6.546 1.00 0.00 N ATOM 1291 CA TYR A 101 5.583 1.995 5.947 1.00 0.00 C ATOM 1292 C TYR A 101 6.559 2.683 6.875 1.00 0.00 C ATOM 1293 O TYR A 101 6.154 3.382 7.803 1.00 0.00 O ATOM 1294 CB TYR A 101 5.557 2.671 4.573 1.00 0.00 C ATOM 1295 CG TYR A 101 5.273 4.155 4.596 1.00 0.00 C ATOM 1296 CD1 TYR A 101 3.973 4.635 4.548 1.00 0.00 C ATOM 1297 CD2 TYR A 101 6.312 5.075 4.646 1.00 0.00 C ATOM 1298 CE1 TYR A 101 3.715 5.991 4.549 1.00 0.00 C ATOM 1299 CE2 TYR A 101 6.061 6.431 4.652 1.00 0.00 C ATOM 1300 CZ TYR A 101 4.764 6.883 4.601 1.00 0.00 C ATOM 1301 OH TYR A 101 4.514 8.233 4.606 1.00 0.00 O ATOM 0 H TYR A 101 3.933 2.882 6.874 1.00 0.00 H new ATOM 0 HA TYR A 101 5.911 0.967 5.795 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.519 2.508 4.086 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.802 2.181 3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.150 3.937 4.509 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.332 4.723 4.681 1.00 0.00 H new ATOM 0 HE1 TYR A 101 2.697 6.351 4.509 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.879 7.134 4.697 1.00 0.00 H new ATOM 0 HH TYR A 101 3.547 8.387 4.571 1.00 0.00 H new ATOM 1311 N ASN A 102 7.835 2.469 6.629 1.00 0.00 N ATOM 1312 CA ASN A 102 8.880 3.015 7.472 1.00 0.00 C ATOM 1313 C ASN A 102 9.997 3.572 6.613 1.00 0.00 C ATOM 1314 O ASN A 102 10.086 3.273 5.421 1.00 0.00 O ATOM 1315 CB ASN A 102 9.431 1.933 8.409 1.00 0.00 C ATOM 1316 CG ASN A 102 8.486 1.595 9.542 1.00 0.00 C ATOM 1317 OD1 ASN A 102 8.578 2.166 10.624 1.00 0.00 O ATOM 1318 ND2 ASN A 102 7.582 0.653 9.310 1.00 0.00 N ATOM 0 H ASN A 102 8.176 1.915 5.844 1.00 0.00 H new ATOM 0 HA ASN A 102 8.458 3.818 8.076 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.636 1.031 7.833 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.381 2.269 8.824 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.930 0.379 10.045 1.00 0.00 H new ATOM 0 HD22 ASN A 102 7.538 0.202 8.396 1.00 0.00 H new ATOM 1325 N LYS A 103 10.837 4.388 7.223 1.00 0.00 N ATOM 1326 CA LYS A 103 11.980 4.960 6.561 1.00 0.00 C ATOM 1327 C LYS A 103 13.198 4.097 6.813 1.00 0.00 C ATOM 1328 O LYS A 103 13.163 3.241 7.696 1.00 0.00 O ATOM 1329 CB LYS A 103 12.213 6.341 7.149 1.00 0.00 C ATOM 1330 CG LYS A 103 10.945 7.166 7.283 1.00 0.00 C ATOM 1331 CD LYS A 103 10.573 7.843 5.983 1.00 0.00 C ATOM 1332 CE LYS A 103 9.819 6.941 5.015 1.00 0.00 C ATOM 1333 NZ LYS A 103 9.661 7.593 3.692 1.00 0.00 N ATOM 0 H LYS A 103 10.739 4.670 8.198 1.00 0.00 H new ATOM 0 HA LYS A 103 11.806 5.022 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 103 12.674 6.236 8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 103 12.922 6.880 6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 103 10.126 6.523 7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 103 11.082 7.920 8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.961 8.718 6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 103 11.481 8.202 5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.355 5.999 4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.838 6.701 5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.044 7.011 3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.235 8.534 3.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.593 7.692 3.240 1.00 0.00 H new ATOM 1347 N LEU A 104 14.254 4.341 6.033 1.00 0.00 N ATOM 1348 CA LEU A 104 15.573 3.702 6.183 1.00 0.00 C ATOM 1349 C LEU A 104 15.553 2.172 6.117 1.00 0.00 C ATOM 1350 O LEU A 104 16.083 1.605 5.159 1.00 0.00 O ATOM 1351 CB LEU A 104 16.332 4.203 7.431 1.00 0.00 C ATOM 1352 CG LEU A 104 15.519 4.388 8.709 1.00 0.00 C ATOM 1353 CD1 LEU A 104 15.714 3.207 9.626 1.00 0.00 C ATOM 1354 CD2 LEU A 104 15.875 5.686 9.409 1.00 0.00 C ATOM 0 H LEU A 104 14.219 5.004 5.259 1.00 0.00 H new ATOM 0 HA LEU A 104 16.127 4.022 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 104 17.139 3.501 7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 104 16.797 5.158 7.184 1.00 0.00 H new ATOM 0 HG LEU A 104 14.465 4.445 8.436 1.00 0.00 H new ATOM 0 HD11 LEU A 104 15.129 3.351 10.534 1.00 0.00 H new ATOM 0 HD12 LEU A 104 15.385 2.298 9.123 1.00 0.00 H new ATOM 0 HD13 LEU A 104 16.769 3.117 9.885 1.00 0.00 H new ATOM 0 HD21 LEU A 104 15.278 5.786 10.315 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.933 5.680 9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 104 15.670 6.526 8.745 1.00 0.00 H new ATOM 1366 N GLN A 105 14.931 1.511 7.090 1.00 0.00 N ATOM 1367 CA GLN A 105 15.106 0.075 7.274 1.00 0.00 C ATOM 1368 C GLN A 105 16.589 -0.200 7.445 1.00 0.00 C ATOM 1369 O GLN A 105 17.184 -0.971 6.694 1.00 0.00 O ATOM 1370 CB GLN A 105 14.537 -0.728 6.093 1.00 0.00 C ATOM 1371 CG GLN A 105 13.144 -1.303 6.330 1.00 0.00 C ATOM 1372 CD GLN A 105 12.082 -0.252 6.603 1.00 0.00 C ATOM 1373 OE1 GLN A 105 11.101 -0.514 7.294 1.00 0.00 O ATOM 1374 NE2 GLN A 105 12.264 0.939 6.060 1.00 0.00 N ATOM 0 H GLN A 105 14.301 1.948 7.763 1.00 0.00 H new ATOM 0 HA GLN A 105 14.555 -0.243 8.159 1.00 0.00 H new ATOM 0 HB2 GLN A 105 14.505 -0.084 5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 105 15.220 -1.546 5.864 1.00 0.00 H new ATOM 0 HG2 GLN A 105 12.849 -1.885 5.457 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.185 -1.992 7.174 1.00 0.00 H new ATOM 0 HE21 GLN A 105 13.092 1.119 5.492 1.00 0.00 H new ATOM 0 HE22 GLN A 105 11.577 1.678 6.209 1.00 0.00 H new ATOM 1383 N ALA A 106 17.171 0.474 8.439 1.00 0.00 N ATOM 1384 CA ALA A 106 18.608 0.463 8.676 1.00 0.00 C ATOM 1385 C ALA A 106 19.335 1.255 7.590 1.00 0.00 C ATOM 1386 O ALA A 106 18.779 2.196 7.022 1.00 0.00 O ATOM 1387 CB ALA A 106 19.130 -0.960 8.758 1.00 0.00 C ATOM 0 H ALA A 106 16.651 1.046 9.105 1.00 0.00 H new ATOM 0 HA ALA A 106 18.803 0.944 9.634 1.00 0.00 H new ATOM 0 HB1 ALA A 106 20.205 -0.943 8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 106 18.635 -1.482 9.577 1.00 0.00 H new ATOM 0 HB3 ALA A 106 18.925 -1.477 7.821 1.00 0.00 H new ATOM 1393 N ASP A 107 20.570 0.876 7.299 1.00 0.00 N ATOM 1394 CA ASP A 107 21.385 1.605 6.328 1.00 0.00 C ATOM 1395 C ASP A 107 21.972 0.610 5.354 1.00 0.00 C ATOM 1396 O ASP A 107 22.174 -0.516 5.743 1.00 0.00 O ATOM 1397 CB ASP A 107 22.505 2.382 7.030 1.00 0.00 C ATOM 1398 CG ASP A 107 21.988 3.554 7.844 1.00 0.00 C ATOM 1399 OD1 ASP A 107 21.778 4.643 7.265 1.00 0.00 O ATOM 1400 OD2 ASP A 107 21.795 3.398 9.069 1.00 0.00 O ATOM 0 H ASP A 107 21.033 0.070 7.718 1.00 0.00 H new ATOM 0 HA ASP A 107 20.762 2.326 5.799 1.00 0.00 H new ATOM 0 HB2 ASP A 107 23.055 1.706 7.684 1.00 0.00 H new ATOM 0 HB3 ASP A 107 23.210 2.747 6.284 1.00 0.00 H new ATOM 1405 N PRO A 108 22.264 1.010 4.099 1.00 0.00 N ATOM 1406 CA PRO A 108 22.696 0.103 3.017 1.00 0.00 C ATOM 1407 C PRO A 108 23.505 -1.119 3.481 1.00 0.00 C ATOM 1408 O PRO A 108 23.134 -2.257 3.189 1.00 0.00 O ATOM 1409 CB PRO A 108 23.550 1.023 2.159 1.00 0.00 C ATOM 1410 CG PRO A 108 22.868 2.348 2.255 1.00 0.00 C ATOM 1411 CD PRO A 108 22.207 2.403 3.616 1.00 0.00 C ATOM 0 HA PRO A 108 21.843 -0.352 2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 108 24.575 1.074 2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 108 23.599 0.674 1.128 1.00 0.00 H new ATOM 0 HG2 PRO A 108 23.585 3.161 2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 108 22.129 2.461 1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 108 22.734 3.080 4.288 1.00 0.00 H new ATOM 0 HD3 PRO A 108 21.179 2.759 3.546 1.00 0.00 H new ATOM 1419 N LYS A 109 24.590 -0.878 4.214 1.00 0.00 N ATOM 1420 CA LYS A 109 25.437 -1.956 4.743 1.00 0.00 C ATOM 1421 C LYS A 109 24.644 -2.925 5.622 1.00 0.00 C ATOM 1422 O LYS A 109 24.793 -4.139 5.540 1.00 0.00 O ATOM 1423 CB LYS A 109 26.573 -1.365 5.578 1.00 0.00 C ATOM 1424 CG LYS A 109 26.099 -0.469 6.718 1.00 0.00 C ATOM 1425 CD LYS A 109 27.228 -0.083 7.668 1.00 0.00 C ATOM 1426 CE LYS A 109 28.227 0.887 7.042 1.00 0.00 C ATOM 1427 NZ LYS A 109 29.192 0.220 6.123 1.00 0.00 N ATOM 0 H LYS A 109 24.909 0.060 4.459 1.00 0.00 H new ATOM 0 HA LYS A 109 25.832 -2.503 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 109 27.168 -2.179 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 109 27.230 -0.790 4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 109 25.653 0.435 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 109 25.317 -0.982 7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 109 26.803 0.369 8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 109 27.754 -0.984 7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 109 27.683 1.655 6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 109 28.779 1.392 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 30.152 0.572 6.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 29.163 -0.808 6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 28.935 0.430 5.137 1.00 0.00 H new ATOM 1441 N GLN A 110 23.816 -2.349 6.460 1.00 0.00 N ATOM 1442 CA GLN A 110 23.006 -3.064 7.425 1.00 0.00 C ATOM 1443 C GLN A 110 21.743 -3.600 6.768 1.00 0.00 C ATOM 1444 O GLN A 110 21.168 -4.603 7.193 1.00 0.00 O ATOM 1445 CB GLN A 110 22.638 -2.094 8.542 1.00 0.00 C ATOM 1446 CG GLN A 110 23.765 -1.811 9.503 1.00 0.00 C ATOM 1447 CD GLN A 110 23.464 -0.690 10.479 1.00 0.00 C ATOM 1448 OE1 GLN A 110 23.900 -0.718 11.628 1.00 0.00 O ATOM 1449 NE2 GLN A 110 22.743 0.321 10.024 1.00 0.00 N ATOM 0 H GLN A 110 23.681 -1.338 6.493 1.00 0.00 H new ATOM 0 HA GLN A 110 23.564 -3.911 7.823 1.00 0.00 H new ATOM 0 HB2 GLN A 110 22.307 -1.155 8.099 1.00 0.00 H new ATOM 0 HB3 GLN A 110 21.793 -2.500 9.098 1.00 0.00 H new ATOM 0 HG2 GLN A 110 23.990 -2.719 10.063 1.00 0.00 H new ATOM 0 HG3 GLN A 110 24.660 -1.557 8.935 1.00 0.00 H new ATOM 0 HE21 GLN A 110 22.398 0.310 9.064 1.00 0.00 H new ATOM 0 HE22 GLN A 110 22.532 1.112 10.633 1.00 0.00 H new ATOM 1458 N LEU A 111 21.337 -2.916 5.717 1.00 0.00 N ATOM 1459 CA LEU A 111 20.109 -3.200 5.016 1.00 0.00 C ATOM 1460 C LEU A 111 20.232 -4.524 4.278 1.00 0.00 C ATOM 1461 O LEU A 111 19.365 -5.385 4.384 1.00 0.00 O ATOM 1462 CB LEU A 111 19.811 -2.033 4.056 1.00 0.00 C ATOM 1463 CG LEU A 111 18.514 -2.113 3.240 1.00 0.00 C ATOM 1464 CD1 LEU A 111 18.671 -3.043 2.048 1.00 0.00 C ATOM 1465 CD2 LEU A 111 17.359 -2.560 4.121 1.00 0.00 C ATOM 0 H LEU A 111 21.862 -2.136 5.323 1.00 0.00 H new ATOM 0 HA LEU A 111 19.279 -3.294 5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 111 19.787 -1.113 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 111 20.645 -1.947 3.359 1.00 0.00 H new ATOM 0 HG LEU A 111 18.294 -1.116 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 111 17.736 -3.079 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 111 19.466 -2.674 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 111 18.923 -4.044 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 111 16.447 -2.611 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 111 17.578 -3.544 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 111 17.223 -1.846 4.933 1.00 0.00 H new ATOM 1477 N GLU A 112 21.330 -4.687 3.554 1.00 0.00 N ATOM 1478 CA GLU A 112 21.593 -5.923 2.832 1.00 0.00 C ATOM 1479 C GLU A 112 21.777 -7.084 3.807 1.00 0.00 C ATOM 1480 O GLU A 112 21.451 -8.226 3.498 1.00 0.00 O ATOM 1481 CB GLU A 112 22.838 -5.770 1.973 1.00 0.00 C ATOM 1482 CG GLU A 112 24.026 -5.290 2.772 1.00 0.00 C ATOM 1483 CD GLU A 112 25.339 -5.538 2.074 1.00 0.00 C ATOM 1484 OE1 GLU A 112 25.731 -4.715 1.225 1.00 0.00 O ATOM 1485 OE2 GLU A 112 25.988 -6.563 2.371 1.00 0.00 O ATOM 0 H GLU A 112 22.055 -3.977 3.451 1.00 0.00 H new ATOM 0 HA GLU A 112 20.738 -6.137 2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 112 23.077 -6.727 1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 112 22.636 -5.066 1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 112 23.919 -4.223 2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 112 24.034 -5.792 3.740 1.00 0.00 H new ATOM 1492 N VAL A 113 22.307 -6.776 4.988 1.00 0.00 N ATOM 1493 CA VAL A 113 22.454 -7.765 6.048 1.00 0.00 C ATOM 1494 C VAL A 113 21.084 -8.237 6.505 1.00 0.00 C ATOM 1495 O VAL A 113 20.856 -9.430 6.719 1.00 0.00 O ATOM 1496 CB VAL A 113 23.236 -7.186 7.246 1.00 0.00 C ATOM 1497 CG1 VAL A 113 23.229 -8.140 8.429 1.00 0.00 C ATOM 1498 CG2 VAL A 113 24.662 -6.871 6.836 1.00 0.00 C ATOM 0 H VAL A 113 22.643 -5.845 5.234 1.00 0.00 H new ATOM 0 HA VAL A 113 23.017 -8.609 5.651 1.00 0.00 H new ATOM 0 HB VAL A 113 22.740 -6.266 7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 113 23.789 -7.700 9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 113 22.201 -8.322 8.744 1.00 0.00 H new ATOM 0 HG13 VAL A 113 23.692 -9.083 8.139 1.00 0.00 H new ATOM 0 HG21 VAL A 113 25.204 -6.463 7.689 1.00 0.00 H new ATOM 0 HG22 VAL A 113 25.153 -7.783 6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 113 24.655 -6.140 6.027 1.00 0.00 H new ATOM 1508 N LEU A 114 20.167 -7.289 6.614 1.00 0.00 N ATOM 1509 CA LEU A 114 18.789 -7.582 6.975 1.00 0.00 C ATOM 1510 C LEU A 114 18.101 -8.300 5.822 1.00 0.00 C ATOM 1511 O LEU A 114 17.246 -9.165 6.023 1.00 0.00 O ATOM 1512 CB LEU A 114 18.049 -6.282 7.300 1.00 0.00 C ATOM 1513 CG LEU A 114 16.599 -6.442 7.763 1.00 0.00 C ATOM 1514 CD1 LEU A 114 16.534 -7.227 9.063 1.00 0.00 C ATOM 1515 CD2 LEU A 114 15.943 -5.080 7.930 1.00 0.00 C ATOM 0 H LEU A 114 20.355 -6.299 6.456 1.00 0.00 H new ATOM 0 HA LEU A 114 18.775 -8.225 7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 114 18.603 -5.754 8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 114 18.060 -5.648 6.414 1.00 0.00 H new ATOM 0 HG LEU A 114 16.054 -6.999 7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.495 -7.329 9.375 1.00 0.00 H new ATOM 0 HD12 LEU A 114 16.967 -8.216 8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 114 17.094 -6.699 9.835 1.00 0.00 H new ATOM 0 HD21 LEU A 114 14.912 -5.211 8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 114 16.491 -4.501 8.673 1.00 0.00 H new ATOM 0 HD23 LEU A 114 15.955 -4.551 6.977 1.00 0.00 H new ATOM 1527 N PHE A 115 18.514 -7.948 4.613 1.00 0.00 N ATOM 1528 CA PHE A 115 17.941 -8.514 3.401 1.00 0.00 C ATOM 1529 C PHE A 115 18.533 -9.899 3.132 1.00 0.00 C ATOM 1530 O PHE A 115 18.045 -10.641 2.273 1.00 0.00 O ATOM 1531 CB PHE A 115 18.210 -7.566 2.227 1.00 0.00 C ATOM 1532 CG PHE A 115 17.459 -7.897 0.968 1.00 0.00 C ATOM 1533 CD1 PHE A 115 16.078 -7.780 0.920 1.00 0.00 C ATOM 1534 CD2 PHE A 115 18.130 -8.318 -0.169 1.00 0.00 C ATOM 1535 CE1 PHE A 115 15.382 -8.077 -0.236 1.00 0.00 C ATOM 1536 CE2 PHE A 115 17.439 -8.615 -1.328 1.00 0.00 C ATOM 1537 CZ PHE A 115 16.064 -8.496 -1.361 1.00 0.00 C ATOM 0 H PHE A 115 19.253 -7.265 4.445 1.00 0.00 H new ATOM 0 HA PHE A 115 16.864 -8.629 3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 115 17.953 -6.551 2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 115 19.278 -7.573 2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 115 15.540 -7.453 1.797 1.00 0.00 H new ATOM 0 HD2 PHE A 115 19.205 -8.415 -0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 115 14.306 -7.982 -0.260 1.00 0.00 H new ATOM 0 HE2 PHE A 115 17.974 -8.940 -2.208 1.00 0.00 H new ATOM 0 HZ PHE A 115 15.523 -8.730 -2.266 1.00 0.00 H new ATOM 1547 N GLN A 116 19.588 -10.223 3.887 1.00 0.00 N ATOM 1548 CA GLN A 116 20.278 -11.512 3.817 1.00 0.00 C ATOM 1549 C GLN A 116 21.135 -11.630 2.557 1.00 0.00 C ATOM 1550 O GLN A 116 22.364 -11.693 2.635 1.00 0.00 O ATOM 1551 CB GLN A 116 19.287 -12.680 3.899 1.00 0.00 C ATOM 1552 CG GLN A 116 19.935 -14.043 3.725 1.00 0.00 C ATOM 1553 CD GLN A 116 18.931 -15.175 3.783 1.00 0.00 C ATOM 1554 OE1 GLN A 116 18.657 -15.723 4.850 1.00 0.00 O ATOM 1555 NE2 GLN A 116 18.380 -15.532 2.636 1.00 0.00 N ATOM 0 H GLN A 116 19.991 -9.586 4.574 1.00 0.00 H new ATOM 0 HA GLN A 116 20.942 -11.562 4.680 1.00 0.00 H new ATOM 0 HB2 GLN A 116 18.781 -12.649 4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 116 18.522 -12.551 3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 116 20.457 -14.074 2.769 1.00 0.00 H new ATOM 0 HG3 GLN A 116 20.685 -14.187 4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 116 18.637 -15.050 1.775 1.00 0.00 H new ATOM 0 HE22 GLN A 116 17.698 -16.290 2.612 1.00 0.00 H new ATOM 1564 N GLY A 117 20.487 -11.667 1.407 1.00 0.00 N ATOM 1565 CA GLY A 117 21.187 -11.857 0.158 1.00 0.00 C ATOM 1566 C GLY A 117 20.679 -13.093 -0.542 1.00 0.00 C ATOM 1567 O GLY A 117 21.438 -14.034 -0.774 1.00 0.00 O ATOM 0 H GLY A 117 19.476 -11.567 1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 117 21.048 -10.985 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 117 22.257 -11.949 0.343 1.00 0.00 H new ATOM 1571 N PRO A 118 19.373 -13.120 -0.857 1.00 0.00 N ATOM 1572 CA PRO A 118 18.695 -14.289 -1.411 1.00 0.00 C ATOM 1573 C PRO A 118 19.375 -14.857 -2.655 1.00 0.00 C ATOM 1574 O PRO A 118 19.751 -14.117 -3.565 1.00 0.00 O ATOM 1575 CB PRO A 118 17.298 -13.763 -1.772 1.00 0.00 C ATOM 1576 CG PRO A 118 17.413 -12.285 -1.738 1.00 0.00 C ATOM 1577 CD PRO A 118 18.434 -12.008 -0.689 1.00 0.00 C ATOM 0 HA PRO A 118 18.695 -15.112 -0.696 1.00 0.00 H new ATOM 0 HB2 PRO A 118 16.990 -14.111 -2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 118 16.550 -14.115 -1.062 1.00 0.00 H new ATOM 0 HG2 PRO A 118 17.722 -11.890 -2.706 1.00 0.00 H new ATOM 0 HG3 PRO A 118 16.458 -11.819 -1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 118 18.918 -11.043 -0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 118 17.996 -11.994 0.309 1.00 0.00 H new ATOM 1585 N GLN A 119 19.522 -16.173 -2.686 1.00 0.00 N ATOM 1586 CA GLN A 119 20.043 -16.860 -3.861 1.00 0.00 C ATOM 1587 C GLN A 119 18.882 -17.357 -4.716 1.00 0.00 C ATOM 1588 O GLN A 119 19.070 -18.062 -5.708 1.00 0.00 O ATOM 1589 CB GLN A 119 20.944 -18.028 -3.454 1.00 0.00 C ATOM 1590 CG GLN A 119 20.257 -19.048 -2.557 1.00 0.00 C ATOM 1591 CD GLN A 119 21.170 -20.191 -2.152 1.00 0.00 C ATOM 1592 OE1 GLN A 119 21.038 -20.746 -1.062 1.00 0.00 O ATOM 1593 NE2 GLN A 119 22.095 -20.558 -3.025 1.00 0.00 N ATOM 0 H GLN A 119 19.287 -16.790 -1.908 1.00 0.00 H new ATOM 0 HA GLN A 119 20.644 -16.160 -4.441 1.00 0.00 H new ATOM 0 HB2 GLN A 119 21.301 -18.530 -4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 119 21.821 -17.636 -2.938 1.00 0.00 H new ATOM 0 HG2 GLN A 119 19.891 -18.547 -1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 119 19.387 -19.451 -3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 119 22.173 -20.073 -3.919 1.00 0.00 H new ATOM 0 HE22 GLN A 119 22.729 -21.326 -2.804 1.00 0.00 H new ATOM 1602 N PHE A 120 17.678 -16.997 -4.295 1.00 0.00 N ATOM 1603 CA PHE A 120 16.459 -17.333 -5.012 1.00 0.00 C ATOM 1604 C PHE A 120 15.684 -16.049 -5.304 1.00 0.00 C ATOM 1605 O PHE A 120 14.777 -15.668 -4.565 1.00 0.00 O ATOM 1606 CB PHE A 120 15.624 -18.313 -4.171 1.00 0.00 C ATOM 1607 CG PHE A 120 14.366 -18.806 -4.832 1.00 0.00 C ATOM 1608 CD1 PHE A 120 14.424 -19.710 -5.879 1.00 0.00 C ATOM 1609 CD2 PHE A 120 13.124 -18.379 -4.388 1.00 0.00 C ATOM 1610 CE1 PHE A 120 13.266 -20.176 -6.473 1.00 0.00 C ATOM 1611 CE2 PHE A 120 11.965 -18.840 -4.979 1.00 0.00 C ATOM 1612 CZ PHE A 120 12.035 -19.741 -6.023 1.00 0.00 C ATOM 0 H PHE A 120 17.520 -16.461 -3.442 1.00 0.00 H new ATOM 0 HA PHE A 120 16.695 -17.818 -5.959 1.00 0.00 H new ATOM 0 HB2 PHE A 120 16.245 -19.173 -3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 120 15.357 -17.827 -3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 120 15.384 -20.055 -6.235 1.00 0.00 H new ATOM 0 HD2 PHE A 120 13.063 -17.677 -3.570 1.00 0.00 H new ATOM 0 HE1 PHE A 120 13.324 -20.881 -7.289 1.00 0.00 H new ATOM 0 HE2 PHE A 120 11.004 -18.496 -4.625 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.130 -20.104 -6.486 1.00 0.00 H new ATOM 1622 N THR A 121 16.075 -15.363 -6.369 1.00 0.00 N ATOM 1623 CA THR A 121 15.491 -14.074 -6.704 1.00 0.00 C ATOM 1624 C THR A 121 14.718 -14.132 -8.020 1.00 0.00 C ATOM 1625 O THR A 121 15.307 -14.245 -9.099 1.00 0.00 O ATOM 1626 CB THR A 121 16.576 -12.987 -6.808 1.00 0.00 C ATOM 1627 OG1 THR A 121 17.403 -13.010 -5.637 1.00 0.00 O ATOM 1628 CG2 THR A 121 15.953 -11.607 -6.961 1.00 0.00 C ATOM 0 H THR A 121 16.796 -15.680 -7.017 1.00 0.00 H new ATOM 0 HA THR A 121 14.800 -13.823 -5.899 1.00 0.00 H new ATOM 0 HB THR A 121 17.181 -13.195 -7.690 1.00 0.00 H new ATOM 0 HG1 THR A 121 18.092 -12.317 -5.710 1.00 0.00 H new ATOM 0 HG21 THR A 121 16.741 -10.858 -7.032 1.00 0.00 H new ATOM 0 HG22 THR A 121 15.345 -11.581 -7.865 1.00 0.00 H new ATOM 0 HG23 THR A 121 15.326 -11.393 -6.095 1.00 0.00 H new ATOM 1636 N LEU A 122 13.401 -14.063 -7.923 1.00 0.00 N ATOM 1637 CA LEU A 122 12.546 -13.992 -9.098 1.00 0.00 C ATOM 1638 C LEU A 122 11.975 -12.589 -9.210 1.00 0.00 C ATOM 1639 O LEU A 122 11.329 -12.106 -8.280 1.00 0.00 O ATOM 1640 CB LEU A 122 11.398 -15.010 -9.018 1.00 0.00 C ATOM 1641 CG LEU A 122 11.787 -16.487 -9.167 1.00 0.00 C ATOM 1642 CD1 LEU A 122 12.598 -16.967 -7.977 1.00 0.00 C ATOM 1643 CD2 LEU A 122 10.545 -17.346 -9.344 1.00 0.00 C ATOM 0 H LEU A 122 12.897 -14.055 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 122 13.145 -14.230 -9.977 1.00 0.00 H new ATOM 0 HB2 LEU A 122 10.895 -14.884 -8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 122 10.671 -14.768 -9.793 1.00 0.00 H new ATOM 0 HG LEU A 122 12.410 -16.582 -10.056 1.00 0.00 H new ATOM 0 HD11 LEU A 122 12.858 -18.017 -8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 122 13.510 -16.375 -7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 122 12.010 -16.854 -7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 122 10.837 -18.391 -9.448 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.899 -17.235 -8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.007 -17.029 -10.237 1.00 0.00 H new ATOM 1655 N ARG A 123 12.218 -11.924 -10.330 1.00 0.00 N ATOM 1656 CA ARG A 123 11.747 -10.558 -10.500 1.00 0.00 C ATOM 1657 C ARG A 123 10.282 -10.541 -10.914 1.00 0.00 C ATOM 1658 O ARG A 123 9.951 -10.598 -12.100 1.00 0.00 O ATOM 1659 CB ARG A 123 12.596 -9.803 -11.524 1.00 0.00 C ATOM 1660 CG ARG A 123 12.200 -8.340 -11.666 1.00 0.00 C ATOM 1661 CD ARG A 123 13.094 -7.605 -12.649 1.00 0.00 C ATOM 1662 NE ARG A 123 12.697 -6.205 -12.805 1.00 0.00 N ATOM 1663 CZ ARG A 123 13.518 -5.237 -13.207 1.00 0.00 C ATOM 1664 NH1 ARG A 123 14.790 -5.507 -13.473 1.00 0.00 N ATOM 1665 NH2 ARG A 123 13.065 -4.001 -13.342 1.00 0.00 N ATOM 0 H ARG A 123 12.732 -12.302 -11.126 1.00 0.00 H new ATOM 0 HA ARG A 123 11.844 -10.052 -9.539 1.00 0.00 H new ATOM 0 HB2 ARG A 123 13.645 -9.863 -11.232 1.00 0.00 H new ATOM 0 HB3 ARG A 123 12.506 -10.293 -12.493 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.164 -8.275 -11.998 1.00 0.00 H new ATOM 0 HG3 ARG A 123 12.254 -7.853 -10.692 1.00 0.00 H new ATOM 0 HD2 ARG A 123 14.128 -7.653 -12.306 1.00 0.00 H new ATOM 0 HD3 ARG A 123 13.056 -8.103 -13.618 1.00 0.00 H new ATOM 0 HE ARG A 123 11.731 -5.955 -12.593 1.00 0.00 H new ATOM 0 HH11 ARG A 123 15.142 -6.459 -13.370 1.00 0.00 H new ATOM 0 HH12 ARG A 123 15.416 -4.763 -13.781 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.088 -3.791 -13.138 1.00 0.00 H new ATOM 0 HH22 ARG A 123 13.693 -3.258 -13.650 1.00 0.00 H new ATOM 1679 N HIS A 124 9.406 -10.494 -9.926 1.00 0.00 N ATOM 1680 CA HIS A 124 7.981 -10.364 -10.173 1.00 0.00 C ATOM 1681 C HIS A 124 7.359 -9.502 -9.084 1.00 0.00 C ATOM 1682 O HIS A 124 7.491 -9.792 -7.892 1.00 0.00 O ATOM 1683 CB HIS A 124 7.290 -11.738 -10.263 1.00 0.00 C ATOM 1684 CG HIS A 124 7.283 -12.536 -8.991 1.00 0.00 C ATOM 1685 ND1 HIS A 124 6.152 -12.718 -8.227 1.00 0.00 N ATOM 1686 CD2 HIS A 124 8.271 -13.210 -8.357 1.00 0.00 C ATOM 1687 CE1 HIS A 124 6.445 -13.466 -7.182 1.00 0.00 C ATOM 1688 NE2 HIS A 124 7.723 -13.780 -7.235 1.00 0.00 N ATOM 0 H HIS A 124 9.659 -10.544 -8.939 1.00 0.00 H new ATOM 0 HA HIS A 124 7.836 -9.880 -11.139 1.00 0.00 H new ATOM 0 HB2 HIS A 124 6.259 -11.588 -10.584 1.00 0.00 H new ATOM 0 HB3 HIS A 124 7.783 -12.325 -11.038 1.00 0.00 H new ATOM 0 HD2 HIS A 124 9.300 -13.285 -8.675 1.00 0.00 H new ATOM 0 HE1 HIS A 124 5.753 -13.771 -6.411 1.00 0.00 H new ATOM 0 HE2 HIS A 124 8.223 -14.352 -6.555 1.00 0.00 H new ATOM 1697 N TRP A 125 6.710 -8.427 -9.493 1.00 0.00 N ATOM 1698 CA TRP A 125 6.170 -7.462 -8.554 1.00 0.00 C ATOM 1699 C TRP A 125 4.651 -7.411 -8.641 1.00 0.00 C ATOM 1700 O TRP A 125 4.067 -7.645 -9.702 1.00 0.00 O ATOM 1701 CB TRP A 125 6.780 -6.075 -8.806 1.00 0.00 C ATOM 1702 CG TRP A 125 6.541 -5.531 -10.185 1.00 0.00 C ATOM 1703 CD1 TRP A 125 5.597 -4.615 -10.548 1.00 0.00 C ATOM 1704 CD2 TRP A 125 7.262 -5.858 -11.381 1.00 0.00 C ATOM 1705 NE1 TRP A 125 5.687 -4.352 -11.892 1.00 0.00 N ATOM 1706 CE2 TRP A 125 6.698 -5.103 -12.426 1.00 0.00 C ATOM 1707 CE3 TRP A 125 8.328 -6.717 -11.671 1.00 0.00 C ATOM 1708 CZ2 TRP A 125 7.165 -5.178 -13.735 1.00 0.00 C ATOM 1709 CZ3 TRP A 125 8.787 -6.791 -12.972 1.00 0.00 C ATOM 1710 CH2 TRP A 125 8.206 -6.026 -13.989 1.00 0.00 C ATOM 0 H TRP A 125 6.544 -8.200 -10.473 1.00 0.00 H new ATOM 0 HA TRP A 125 6.435 -7.777 -7.545 1.00 0.00 H new ATOM 0 HB2 TRP A 125 6.372 -5.375 -8.077 1.00 0.00 H new ATOM 0 HB3 TRP A 125 7.855 -6.127 -8.631 1.00 0.00 H new ATOM 0 HD1 TRP A 125 4.883 -4.163 -9.876 1.00 0.00 H new ATOM 0 HE1 TRP A 125 5.096 -3.702 -12.409 1.00 0.00 H new ATOM 0 HE3 TRP A 125 8.783 -7.311 -10.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 6.720 -4.587 -14.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 9.609 -7.451 -13.208 1.00 0.00 H new ATOM 0 HH2 TRP A 125 8.588 -6.107 -14.996 1.00 0.00 H new ATOM 1721 N LEU A 126 4.023 -7.118 -7.516 1.00 0.00 N ATOM 1722 CA LEU A 126 2.573 -7.059 -7.433 1.00 0.00 C ATOM 1723 C LEU A 126 2.096 -5.647 -7.729 1.00 0.00 C ATOM 1724 O LEU A 126 2.897 -4.715 -7.778 1.00 0.00 O ATOM 1725 CB LEU A 126 2.098 -7.499 -6.047 1.00 0.00 C ATOM 1726 CG LEU A 126 2.344 -6.492 -4.928 1.00 0.00 C ATOM 1727 CD1 LEU A 126 1.089 -5.686 -4.627 1.00 0.00 C ATOM 1728 CD2 LEU A 126 2.828 -7.202 -3.687 1.00 0.00 C ATOM 0 H LEU A 126 4.500 -6.915 -6.638 1.00 0.00 H new ATOM 0 HA LEU A 126 2.151 -7.739 -8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.030 -7.710 -6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.596 -8.434 -5.789 1.00 0.00 H new ATOM 0 HG LEU A 126 3.115 -5.796 -5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.296 -4.977 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.782 -5.144 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.289 -6.359 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.000 -6.473 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.075 -7.920 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.758 -7.726 -3.907 1.00 0.00 H new ATOM 1740 N LYS A 127 0.800 -5.498 -7.905 1.00 0.00 N ATOM 1741 CA LYS A 127 0.211 -4.226 -8.267 1.00 0.00 C ATOM 1742 C LYS A 127 -1.154 -4.065 -7.606 1.00 0.00 C ATOM 1743 O LYS A 127 -2.168 -4.556 -8.106 1.00 0.00 O ATOM 1744 CB LYS A 127 0.096 -4.106 -9.795 1.00 0.00 C ATOM 1745 CG LYS A 127 -0.583 -5.296 -10.460 1.00 0.00 C ATOM 1746 CD LYS A 127 -0.729 -5.099 -11.958 1.00 0.00 C ATOM 1747 CE LYS A 127 -1.451 -6.272 -12.605 1.00 0.00 C ATOM 1748 NZ LYS A 127 -2.838 -6.428 -12.091 1.00 0.00 N ATOM 0 H LYS A 127 0.125 -6.256 -7.801 1.00 0.00 H new ATOM 0 HA LYS A 127 0.859 -3.426 -7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -0.461 -3.201 -10.037 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.094 -3.988 -10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -0.004 -6.199 -10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.567 -5.448 -10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -1.279 -4.179 -12.153 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.257 -4.983 -12.409 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.479 -6.129 -13.685 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.891 -7.189 -12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.373 -7.058 -12.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.810 -6.837 -11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -3.302 -5.498 -12.056 1.00 0.00 H new ATOM 1762 N VAL A 128 -1.175 -3.397 -6.469 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.421 -3.116 -5.798 1.00 0.00 C ATOM 1764 C VAL A 128 -2.519 -1.615 -5.519 1.00 0.00 C ATOM 1765 O VAL A 128 -2.938 -0.880 -6.422 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.630 -3.982 -4.523 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -1.649 -3.662 -3.413 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -4.060 -3.862 -4.050 1.00 0.00 C ATOM 1769 OXT VAL A 128 -2.157 -1.164 -4.436 1.00 0.00 O ATOM 0 H VAL A 128 -0.345 -3.042 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.240 -3.399 -6.459 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.429 -5.017 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.851 -4.302 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.632 -3.836 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.758 -2.617 -3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -4.200 -4.471 -3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.280 -2.820 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.733 -4.208 -4.834 1.00 0.00 H new TER 1779 VAL A 128