USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 784 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 39 HIS : +bothHN:sc= -8.61! C(o=-16!,f=-30!) USER MOD Set 1.2: A 89 CYS SG : rot -116:sc= -2.69 USER MOD Set 1.3: A 92 HIS : no HD1:sc= -2.51 K(o=-16,f=-31!) USER MOD Set 1.4: A 97 MET CE :methyl 140:sc= -2.2 (180deg=-1.87!) USER MOD Set 2.1: A 28 THR OG1 : rot 125:sc= 1.49 USER MOD Set 2.2: A 75 THR OG1 : rot 102:sc= 0.86 USER MOD Set 3.1: A 67 SER OG : rot 175:sc= 1.06 USER MOD Set 3.2: A 70 GLN : amide:sc= 0.933 K(o=2,f=1.3) USER MOD Set 4.1: A 60 SER OG : rot -51:sc= -0.078 USER MOD Set 4.2: A 62 LYS NZ :NH3+ 138:sc= 1 (180deg=0.617) USER MOD Set 5.1: A 48 ASN : amide:sc= -1.57! C(o=-0.12!,f=-2.6!) USER MOD Set 5.2: A 52 SER OG : rot 128:sc= 1.45 USER MOD Set 6.1: A 22 THR OG1 : rot 180:sc= 0.172 USER MOD Set 6.2: A 102 THR OG1 : rot 134:sc= -0.232 USER MOD Set 7.1: A 6 LYS NZ :NH3+ 150:sc= 1.27 (180deg=-1.64) USER MOD Set 7.2: A 34 ASN : amide:sc= -2.15! C(o=-0.87!,f=-13!) USER MOD Set 8.1: A 3 TYR OH : rot 30:sc= 0.909 USER MOD Set 8.2: A 24 LYS NZ :NH3+ -127:sc= 2.19 (180deg=0.28) USER MOD Single : A 1 GLU N :NH3+ -175:sc=-0.000438 (180deg=-0.659!) USER MOD Single : A 2 THR OG1 : rot 118:sc= -1.85 USER MOD Single : A 4 THR OG1 : rot -59:sc= 0.788 USER MOD Single : A 9 SER OG : rot -63:sc= 0.854 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -143:sc= -2.17! (180deg=-3.7!) USER MOD Single : A 33 ASN : amide:sc= -5.09! C(o=-5.1!,f=-5.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.741 K(o=0.74,f=-0.011) USER MOD Single : A 51 LYS NZ :NH3+ -149:sc= 1.31 (180deg=-0.133) USER MOD Single : A 57 LYS NZ :NH3+ 167:sc=-0.000934 (180deg=-0.19) USER MOD Single : A 58 SER OG : rot 88:sc= 1.08 USER MOD Single : A 61 HIS : no HE2:sc= -0.296 K(o=-0.3,f=-6.2!) USER MOD Single : A 63 GLN : amide:sc= 1.32 K(o=1.3,f=-12!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -139:sc= -1.04 USER MOD Single : A 72 THR OG1 : rot -55:sc= 0.458 USER MOD Single : A 73 SER OG : rot 32:sc= 0.519! USER MOD Single : A 74 THR OG1 : rot 75:sc= 0.626 USER MOD Single : A 85 TYR OH : rot -46:sc= 1.14 USER MOD Single : A 86 THR OG1 : rot -63:sc= -0.859 USER MOD Single : A 88 TYR OH : rot 7:sc= 0.597 USER MOD Single : A 100 LYS NZ :NH3+ -169:sc= -2.14! (180deg=-2.93!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -4.040 -5.873 -16.818 1.00 0.00 N ATOM 2 CA GLU A 1 -2.873 -5.092 -17.295 1.00 0.00 C ATOM 3 C GLU A 1 -2.670 -3.961 -16.256 1.00 0.00 C ATOM 4 O GLU A 1 -3.494 -3.886 -15.371 1.00 0.00 O ATOM 5 CB GLU A 1 -3.178 -4.519 -18.722 1.00 0.00 C ATOM 6 CG GLU A 1 -1.890 -4.634 -19.614 1.00 0.00 C ATOM 7 CD GLU A 1 -0.651 -4.191 -18.871 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.377 -3.019 -18.889 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.051 -5.058 -18.280 1.00 0.00 O ATOM 0 H1 GLU A 1 -4.177 -6.702 -17.431 1.00 0.00 H new ATOM 0 H2 GLU A 1 -3.871 -6.188 -15.841 1.00 0.00 H new ATOM 0 H3 GLU A 1 -4.892 -5.277 -16.847 1.00 0.00 H new ATOM 0 HA GLU A 1 -1.970 -5.696 -17.382 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -4.001 -5.069 -19.179 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -3.492 -3.478 -18.649 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -1.767 -5.666 -19.943 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -2.013 -4.026 -20.510 1.00 0.00 H new ATOM 18 N THR A 2 -1.671 -3.125 -16.358 1.00 0.00 N ATOM 19 CA THR A 2 -1.392 -1.997 -15.382 1.00 0.00 C ATOM 20 C THR A 2 -2.609 -1.161 -14.948 1.00 0.00 C ATOM 21 O THR A 2 -2.927 -0.071 -15.359 1.00 0.00 O ATOM 22 CB THR A 2 -0.221 -1.187 -16.038 1.00 0.00 C ATOM 23 OG1 THR A 2 0.361 -0.491 -14.945 1.00 0.00 O ATOM 24 CG2 THR A 2 -0.592 -0.078 -16.922 1.00 0.00 C ATOM 0 H THR A 2 -0.993 -3.172 -17.118 1.00 0.00 H new ATOM 0 HA THR A 2 -1.107 -2.393 -14.407 1.00 0.00 H new ATOM 0 HB THR A 2 0.361 -1.906 -16.614 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.291 -0.780 -14.831 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.310 0.397 -17.308 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.186 -0.458 -17.753 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.176 0.653 -16.363 1.00 0.00 H new ATOM 32 N TYR A 3 -3.315 -1.805 -14.054 1.00 0.00 N ATOM 33 CA TYR A 3 -4.558 -1.233 -13.439 1.00 0.00 C ATOM 34 C TYR A 3 -4.280 0.159 -12.794 1.00 0.00 C ATOM 35 O TYR A 3 -3.555 0.249 -11.824 1.00 0.00 O ATOM 36 CB TYR A 3 -5.085 -2.226 -12.354 1.00 0.00 C ATOM 37 CG TYR A 3 -5.551 -3.602 -12.877 1.00 0.00 C ATOM 38 CD1 TYR A 3 -6.851 -3.781 -13.306 1.00 0.00 C ATOM 39 CD2 TYR A 3 -4.700 -4.689 -12.905 1.00 0.00 C ATOM 40 CE1 TYR A 3 -7.287 -5.023 -13.746 1.00 0.00 C ATOM 41 CE2 TYR A 3 -5.145 -5.925 -13.345 1.00 0.00 C ATOM 42 CZ TYR A 3 -6.436 -6.099 -13.764 1.00 0.00 C ATOM 43 OH TYR A 3 -6.894 -7.333 -14.178 1.00 0.00 O ATOM 0 H TYR A 3 -3.075 -2.735 -13.712 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.306 -1.094 -14.219 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.296 -2.385 -11.619 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.917 -1.756 -11.831 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -7.536 -2.946 -13.299 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.676 -4.574 -12.580 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -8.308 -5.144 -14.078 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.464 -6.763 -13.357 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.610 -7.212 -14.836 1.00 0.00 H new ATOM 53 N THR A 4 -4.854 1.180 -13.358 1.00 0.00 N ATOM 54 CA THR A 4 -4.701 2.608 -12.872 1.00 0.00 C ATOM 55 C THR A 4 -4.972 2.924 -11.384 1.00 0.00 C ATOM 56 O THR A 4 -6.105 3.132 -10.989 1.00 0.00 O ATOM 57 CB THR A 4 -5.624 3.520 -13.705 1.00 0.00 C ATOM 58 OG1 THR A 4 -5.278 3.286 -15.054 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.286 4.986 -13.579 1.00 0.00 C ATOM 0 H THR A 4 -5.455 1.093 -14.177 1.00 0.00 H new ATOM 0 HA THR A 4 -3.633 2.786 -12.997 1.00 0.00 H new ATOM 0 HB THR A 4 -6.646 3.315 -13.387 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.331 3.497 -15.190 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.973 5.572 -14.190 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.376 5.292 -12.537 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.264 5.154 -13.919 1.00 0.00 H new ATOM 67 N VAL A 5 -3.948 2.955 -10.579 1.00 0.00 N ATOM 68 CA VAL A 5 -4.106 3.267 -9.112 1.00 0.00 C ATOM 69 C VAL A 5 -3.541 4.685 -8.825 1.00 0.00 C ATOM 70 O VAL A 5 -2.539 5.141 -9.347 1.00 0.00 O ATOM 71 CB VAL A 5 -3.340 2.197 -8.266 1.00 0.00 C ATOM 72 CG1 VAL A 5 -3.469 2.510 -6.762 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.979 0.818 -8.482 1.00 0.00 C ATOM 0 H VAL A 5 -2.987 2.776 -10.871 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.161 3.243 -8.840 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.295 2.209 -8.577 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.931 1.757 -6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.046 3.494 -6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.521 2.501 -6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.445 0.073 -7.892 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.023 0.848 -8.170 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.924 0.553 -9.538 1.00 0.00 H new ATOM 83 N LYS A 6 -4.216 5.360 -7.951 1.00 0.00 N ATOM 84 CA LYS A 6 -3.867 6.749 -7.524 1.00 0.00 C ATOM 85 C LYS A 6 -3.220 6.805 -6.109 1.00 0.00 C ATOM 86 O LYS A 6 -3.735 6.302 -5.127 1.00 0.00 O ATOM 87 CB LYS A 6 -5.222 7.535 -7.642 1.00 0.00 C ATOM 88 CG LYS A 6 -5.113 8.959 -7.044 1.00 0.00 C ATOM 89 CD LYS A 6 -5.749 10.036 -8.001 1.00 0.00 C ATOM 90 CE LYS A 6 -7.218 10.383 -7.672 1.00 0.00 C ATOM 91 NZ LYS A 6 -7.274 10.904 -6.291 1.00 0.00 N ATOM 0 H LYS A 6 -5.044 4.989 -7.485 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.093 7.196 -8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.514 7.602 -8.690 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.009 6.983 -7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.615 8.988 -6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.065 9.201 -6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.152 10.947 -7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.694 9.673 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.599 11.125 -8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.848 9.499 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.057 11.583 -6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.426 10.117 -5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.378 11.380 -6.063 1.00 0.00 H new ATOM 105 N LEU A 7 -2.086 7.441 -6.072 1.00 0.00 N ATOM 106 CA LEU A 7 -1.291 7.613 -4.813 1.00 0.00 C ATOM 107 C LEU A 7 -1.638 9.005 -4.212 1.00 0.00 C ATOM 108 O LEU A 7 -0.938 9.997 -4.360 1.00 0.00 O ATOM 109 CB LEU A 7 0.212 7.528 -5.174 1.00 0.00 C ATOM 110 CG LEU A 7 0.559 6.420 -6.183 1.00 0.00 C ATOM 111 CD1 LEU A 7 1.972 6.696 -6.702 1.00 0.00 C ATOM 112 CD2 LEU A 7 0.611 5.100 -5.447 1.00 0.00 C ATOM 0 H LEU A 7 -1.656 7.868 -6.893 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.523 6.840 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.531 8.487 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.784 7.364 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.175 6.392 -6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.252 5.927 -7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.998 7.673 -7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.674 6.685 -5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.856 4.302 -6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.373 5.147 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.359 4.898 -4.992 1.00 0.00 H new ATOM 124 N GLY A 8 -2.754 9.009 -3.554 1.00 0.00 N ATOM 125 CA GLY A 8 -3.314 10.230 -2.874 1.00 0.00 C ATOM 126 C GLY A 8 -4.696 10.644 -3.369 1.00 0.00 C ATOM 127 O GLY A 8 -5.095 10.357 -4.477 1.00 0.00 O ATOM 0 H GLY A 8 -3.339 8.180 -3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.366 10.043 -1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.624 11.061 -3.020 1.00 0.00 H new ATOM 131 N SER A 9 -5.386 11.329 -2.518 1.00 0.00 N ATOM 132 CA SER A 9 -6.773 11.828 -2.833 1.00 0.00 C ATOM 133 C SER A 9 -6.793 13.359 -2.827 1.00 0.00 C ATOM 134 O SER A 9 -7.302 14.033 -1.952 1.00 0.00 O ATOM 135 CB SER A 9 -7.750 11.263 -1.801 1.00 0.00 C ATOM 136 OG SER A 9 -7.659 9.858 -2.027 1.00 0.00 O ATOM 0 H SER A 9 -5.052 11.579 -1.587 1.00 0.00 H new ATOM 0 HA SER A 9 -7.073 11.493 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.465 11.530 -0.783 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.763 11.634 -1.956 1.00 0.00 H new ATOM 0 HG SER A 9 -7.969 9.652 -2.933 1.00 0.00 H new ATOM 142 N ASP A 10 -6.178 13.781 -3.887 1.00 0.00 N ATOM 143 CA ASP A 10 -5.922 15.176 -4.362 1.00 0.00 C ATOM 144 C ASP A 10 -5.751 16.334 -3.314 1.00 0.00 C ATOM 145 O ASP A 10 -4.783 17.076 -3.340 1.00 0.00 O ATOM 146 CB ASP A 10 -7.107 15.390 -5.395 1.00 0.00 C ATOM 147 CG ASP A 10 -7.524 14.076 -6.055 1.00 0.00 C ATOM 148 OD1 ASP A 10 -8.300 13.389 -5.430 1.00 0.00 O ATOM 149 OD2 ASP A 10 -7.060 13.771 -7.132 1.00 0.00 O ATOM 0 H ASP A 10 -5.783 13.106 -4.541 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.917 15.251 -4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.963 15.827 -4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.798 16.101 -6.162 1.00 0.00 H new ATOM 154 N LYS A 11 -6.671 16.464 -2.408 1.00 0.00 N ATOM 155 CA LYS A 11 -6.630 17.534 -1.348 1.00 0.00 C ATOM 156 C LYS A 11 -5.636 17.170 -0.190 1.00 0.00 C ATOM 157 O LYS A 11 -5.989 17.080 0.970 1.00 0.00 O ATOM 158 CB LYS A 11 -8.102 17.674 -0.873 1.00 0.00 C ATOM 159 CG LYS A 11 -8.277 18.901 0.069 1.00 0.00 C ATOM 160 CD LYS A 11 -9.714 18.901 0.688 1.00 0.00 C ATOM 161 CE LYS A 11 -10.796 19.015 -0.379 1.00 0.00 C ATOM 162 NZ LYS A 11 -12.109 19.056 0.351 1.00 0.00 N ATOM 0 H LYS A 11 -7.486 15.854 -2.346 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.250 18.483 -1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.757 17.780 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.406 16.766 -0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.530 18.870 0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.112 19.824 -0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.863 17.984 1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.807 19.731 1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.657 19.914 -0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.758 18.167 -1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.886 19.134 -0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.225 18.185 0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.126 19.878 0.988 1.00 0.00 H new ATOM 176 N GLY A 12 -4.394 16.952 -0.533 1.00 0.00 N ATOM 177 CA GLY A 12 -3.341 16.593 0.507 1.00 0.00 C ATOM 178 C GLY A 12 -3.333 15.090 0.775 1.00 0.00 C ATOM 179 O GLY A 12 -2.360 14.395 0.589 1.00 0.00 O ATOM 0 H GLY A 12 -4.046 17.004 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.358 16.910 0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.541 17.131 1.434 1.00 0.00 H new ATOM 183 N LEU A 13 -4.462 14.644 1.228 1.00 0.00 N ATOM 184 CA LEU A 13 -4.726 13.200 1.565 1.00 0.00 C ATOM 185 C LEU A 13 -3.755 12.120 0.975 1.00 0.00 C ATOM 186 O LEU A 13 -3.960 11.658 -0.130 1.00 0.00 O ATOM 187 CB LEU A 13 -6.186 12.941 1.120 1.00 0.00 C ATOM 188 CG LEU A 13 -7.192 13.789 1.922 1.00 0.00 C ATOM 189 CD1 LEU A 13 -8.566 13.583 1.291 1.00 0.00 C ATOM 190 CD2 LEU A 13 -7.274 13.273 3.361 1.00 0.00 C ATOM 0 H LEU A 13 -5.267 15.249 1.392 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.547 13.077 2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.287 13.166 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.421 11.884 1.245 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.884 14.835 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.307 14.170 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.540 13.905 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.833 12.527 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.987 13.876 3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.602 12.234 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.292 13.342 3.829 1.00 0.00 H new ATOM 202 N LEU A 14 -2.742 11.733 1.700 1.00 0.00 N ATOM 203 CA LEU A 14 -1.762 10.695 1.204 1.00 0.00 C ATOM 204 C LEU A 14 -2.369 9.255 1.263 1.00 0.00 C ATOM 205 O LEU A 14 -1.890 8.359 1.920 1.00 0.00 O ATOM 206 CB LEU A 14 -0.498 10.820 2.097 1.00 0.00 C ATOM 207 CG LEU A 14 0.143 12.214 1.965 1.00 0.00 C ATOM 208 CD1 LEU A 14 1.178 12.367 3.072 1.00 0.00 C ATOM 209 CD2 LEU A 14 0.907 12.286 0.647 1.00 0.00 C ATOM 0 H LEU A 14 -2.539 12.092 2.633 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.514 10.866 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.766 10.637 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.226 10.056 1.815 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.630 12.980 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.646 13.348 2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.691 12.269 4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.939 11.593 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.364 13.270 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.684 11.522 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.219 12.118 -0.182 1.00 0.00 H new ATOM 221 N VAL A 15 -3.430 9.067 0.538 1.00 0.00 N ATOM 222 CA VAL A 15 -4.149 7.741 0.488 1.00 0.00 C ATOM 223 C VAL A 15 -3.861 6.897 -0.785 1.00 0.00 C ATOM 224 O VAL A 15 -3.204 7.334 -1.706 1.00 0.00 O ATOM 225 CB VAL A 15 -5.668 8.103 0.624 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.587 6.872 0.693 1.00 0.00 C ATOM 227 CG2 VAL A 15 -5.902 8.911 1.910 1.00 0.00 C ATOM 0 H VAL A 15 -3.851 9.791 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.797 7.092 1.289 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.915 8.673 -0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.623 7.196 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.472 6.281 -0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.318 6.265 1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.960 9.158 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.596 8.319 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.316 9.830 1.874 1.00 0.00 H new ATOM 237 N PHE A 16 -4.360 5.695 -0.792 1.00 0.00 N ATOM 238 CA PHE A 16 -4.190 4.748 -1.948 1.00 0.00 C ATOM 239 C PHE A 16 -5.615 4.515 -2.517 1.00 0.00 C ATOM 240 O PHE A 16 -6.453 3.886 -1.899 1.00 0.00 O ATOM 241 CB PHE A 16 -3.569 3.429 -1.437 1.00 0.00 C ATOM 242 CG PHE A 16 -2.064 3.363 -1.721 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.620 2.849 -2.921 1.00 0.00 C ATOM 244 CD2 PHE A 16 -1.141 3.788 -0.792 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.270 2.758 -3.190 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.210 3.698 -1.056 1.00 0.00 C ATOM 247 CZ PHE A 16 0.646 3.182 -2.255 1.00 0.00 C ATOM 0 H PHE A 16 -4.900 5.308 -0.018 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.528 5.142 -2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.741 3.337 -0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.067 2.584 -1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.336 2.515 -3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.477 4.195 0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.067 2.354 -4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.927 4.033 -0.321 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.704 3.110 -2.461 1.00 0.00 H new ATOM 257 N GLU A 17 -5.846 5.032 -3.682 1.00 0.00 N ATOM 258 CA GLU A 17 -7.174 4.924 -4.389 1.00 0.00 C ATOM 259 C GLU A 17 -7.137 4.084 -5.706 1.00 0.00 C ATOM 260 O GLU A 17 -6.235 4.267 -6.492 1.00 0.00 O ATOM 261 CB GLU A 17 -7.524 6.403 -4.560 1.00 0.00 C ATOM 262 CG GLU A 17 -8.815 6.741 -5.371 1.00 0.00 C ATOM 263 CD GLU A 17 -8.969 8.260 -5.478 1.00 0.00 C ATOM 264 OE1 GLU A 17 -8.503 8.973 -4.612 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.554 8.695 -6.441 1.00 0.00 O ATOM 0 H GLU A 17 -5.144 5.552 -4.209 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.932 4.362 -3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.623 6.844 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.681 6.896 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.758 6.300 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.688 6.310 -4.881 1.00 0.00 H new ATOM 272 N PRO A 18 -8.058 3.181 -5.963 1.00 0.00 N ATOM 273 CA PRO A 18 -8.921 2.441 -4.980 1.00 0.00 C ATOM 274 C PRO A 18 -8.135 1.379 -4.144 1.00 0.00 C ATOM 275 O PRO A 18 -8.049 0.235 -4.522 1.00 0.00 O ATOM 276 CB PRO A 18 -10.008 1.840 -5.876 1.00 0.00 C ATOM 277 CG PRO A 18 -9.185 1.506 -7.153 1.00 0.00 C ATOM 278 CD PRO A 18 -8.352 2.779 -7.369 1.00 0.00 C ATOM 0 HA PRO A 18 -9.328 3.083 -4.199 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.463 0.953 -5.435 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.814 2.546 -6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.553 0.630 -7.008 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.830 1.296 -8.006 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.444 2.584 -7.939 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.907 3.547 -7.908 1.00 0.00 H new ATOM 286 N ALA A 19 -7.593 1.803 -3.038 1.00 0.00 N ATOM 287 CA ALA A 19 -6.789 0.980 -2.069 1.00 0.00 C ATOM 288 C ALA A 19 -6.449 -0.510 -2.357 1.00 0.00 C ATOM 289 O ALA A 19 -5.302 -0.898 -2.254 1.00 0.00 O ATOM 290 CB ALA A 19 -7.538 1.129 -0.724 1.00 0.00 C ATOM 0 H ALA A 19 -7.682 2.774 -2.738 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.776 1.378 -2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.019 0.558 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.567 2.181 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.556 0.753 -0.831 1.00 0.00 H new ATOM 296 N LYS A 20 -7.433 -1.286 -2.698 1.00 0.00 N ATOM 297 CA LYS A 20 -7.207 -2.751 -2.990 1.00 0.00 C ATOM 298 C LYS A 20 -7.400 -3.223 -4.455 1.00 0.00 C ATOM 299 O LYS A 20 -8.484 -3.241 -5.002 1.00 0.00 O ATOM 300 CB LYS A 20 -8.140 -3.581 -2.084 1.00 0.00 C ATOM 301 CG LYS A 20 -7.832 -3.276 -0.604 1.00 0.00 C ATOM 302 CD LYS A 20 -8.410 -4.384 0.328 1.00 0.00 C ATOM 303 CE LYS A 20 -7.654 -5.722 0.177 1.00 0.00 C ATOM 304 NZ LYS A 20 -8.208 -6.492 -0.977 1.00 0.00 N ATOM 0 H LYS A 20 -8.401 -0.978 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.146 -2.905 -2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.181 -3.346 -2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.004 -4.644 -2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.754 -3.202 -0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.257 -2.310 -0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.354 -4.051 1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.465 -4.536 0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.591 -5.534 0.023 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.745 -6.306 1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.212 -7.506 -0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.180 -6.177 -1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.618 -6.330 -1.818 1.00 0.00 H new ATOM 318 N LEU A 21 -6.307 -3.622 -5.030 1.00 0.00 N ATOM 319 CA LEU A 21 -6.257 -4.117 -6.437 1.00 0.00 C ATOM 320 C LEU A 21 -6.020 -5.639 -6.532 1.00 0.00 C ATOM 321 O LEU A 21 -4.977 -6.147 -6.176 1.00 0.00 O ATOM 322 CB LEU A 21 -5.129 -3.348 -7.125 1.00 0.00 C ATOM 323 CG LEU A 21 -5.064 -3.594 -8.684 1.00 0.00 C ATOM 324 CD1 LEU A 21 -4.202 -4.796 -8.959 1.00 0.00 C ATOM 325 CD2 LEU A 21 -6.422 -3.990 -9.320 1.00 0.00 C ATOM 0 H LEU A 21 -5.401 -3.627 -4.562 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.219 -3.947 -6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.259 -2.282 -6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.177 -3.637 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.704 -2.652 -9.097 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.153 -4.971 -10.034 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.198 -4.619 -8.574 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.630 -5.670 -8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.292 -4.141 -10.392 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.782 -4.913 -8.865 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.148 -3.195 -9.151 1.00 0.00 H new ATOM 337 N THR A 22 -6.968 -6.375 -7.014 1.00 0.00 N ATOM 338 CA THR A 22 -6.758 -7.867 -7.123 1.00 0.00 C ATOM 339 C THR A 22 -6.236 -8.266 -8.516 1.00 0.00 C ATOM 340 O THR A 22 -6.988 -8.567 -9.425 1.00 0.00 O ATOM 341 CB THR A 22 -8.100 -8.574 -6.819 1.00 0.00 C ATOM 342 OG1 THR A 22 -8.364 -8.375 -5.430 1.00 0.00 O ATOM 343 CG2 THR A 22 -8.032 -10.093 -6.905 1.00 0.00 C ATOM 0 H THR A 22 -7.873 -6.032 -7.338 1.00 0.00 H new ATOM 0 HA THR A 22 -6.001 -8.175 -6.402 1.00 0.00 H new ATOM 0 HB THR A 22 -8.821 -8.176 -7.533 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.211 -8.808 -5.193 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.011 -10.514 -6.679 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.734 -10.387 -7.911 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.302 -10.466 -6.187 1.00 0.00 H new ATOM 351 N ILE A 23 -4.933 -8.243 -8.671 1.00 0.00 N ATOM 352 CA ILE A 23 -4.323 -8.623 -9.993 1.00 0.00 C ATOM 353 C ILE A 23 -4.418 -10.138 -10.133 1.00 0.00 C ATOM 354 O ILE A 23 -4.922 -10.838 -9.277 1.00 0.00 O ATOM 355 CB ILE A 23 -2.765 -8.345 -10.151 1.00 0.00 C ATOM 356 CG1 ILE A 23 -1.961 -9.005 -9.012 1.00 0.00 C ATOM 357 CG2 ILE A 23 -2.427 -6.890 -10.289 1.00 0.00 C ATOM 358 CD1 ILE A 23 -0.490 -9.263 -9.481 1.00 0.00 C ATOM 0 H ILE A 23 -4.266 -7.980 -7.946 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.866 -8.022 -10.722 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.471 -8.809 -11.093 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.964 -8.362 -8.132 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.430 -9.945 -8.721 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.348 -6.775 -10.393 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.921 -6.484 -11.171 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.766 -6.352 -9.403 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.073 -9.729 -8.673 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.495 -9.924 -10.348 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.022 -8.316 -9.750 1.00 0.00 H new ATOM 370 N LYS A 24 -3.916 -10.615 -11.227 1.00 0.00 N ATOM 371 CA LYS A 24 -3.947 -12.079 -11.432 1.00 0.00 C ATOM 372 C LYS A 24 -2.461 -12.532 -11.274 1.00 0.00 C ATOM 373 O LYS A 24 -1.586 -11.696 -11.384 1.00 0.00 O ATOM 374 CB LYS A 24 -4.512 -12.356 -12.853 1.00 0.00 C ATOM 375 CG LYS A 24 -6.003 -11.890 -12.908 1.00 0.00 C ATOM 376 CD LYS A 24 -6.141 -10.547 -13.685 1.00 0.00 C ATOM 377 CE LYS A 24 -5.862 -10.769 -15.162 1.00 0.00 C ATOM 378 NZ LYS A 24 -6.206 -9.500 -15.859 1.00 0.00 N ATOM 0 H LYS A 24 -3.493 -10.067 -11.976 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.580 -12.622 -10.730 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.924 -11.825 -13.602 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.441 -13.418 -13.086 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.610 -12.657 -13.390 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.387 -11.769 -11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.145 -10.143 -13.553 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.445 -9.811 -13.282 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.815 -11.027 -15.323 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.458 -11.596 -15.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.866 -9.699 -16.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.652 -8.844 -15.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.340 -9.068 -16.241 1.00 0.00 H new ATOM 392 N PRO A 25 -2.178 -13.787 -11.018 1.00 0.00 N ATOM 393 CA PRO A 25 -0.780 -14.334 -11.152 1.00 0.00 C ATOM 394 C PRO A 25 -0.026 -13.964 -12.471 1.00 0.00 C ATOM 395 O PRO A 25 0.160 -14.802 -13.329 1.00 0.00 O ATOM 396 CB PRO A 25 -1.007 -15.859 -10.927 1.00 0.00 C ATOM 397 CG PRO A 25 -2.515 -16.052 -11.254 1.00 0.00 C ATOM 398 CD PRO A 25 -3.150 -14.829 -10.590 1.00 0.00 C ATOM 0 HA PRO A 25 -0.087 -13.890 -10.437 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.374 -16.460 -11.580 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.777 -16.152 -9.903 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.699 -16.073 -12.328 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.904 -16.985 -10.845 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.160 -14.633 -10.950 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.211 -14.925 -9.506 1.00 0.00 H new ATOM 406 N GLY A 26 0.380 -12.722 -12.602 1.00 0.00 N ATOM 407 CA GLY A 26 1.123 -12.278 -13.857 1.00 0.00 C ATOM 408 C GLY A 26 0.471 -11.146 -14.661 1.00 0.00 C ATOM 409 O GLY A 26 0.278 -11.250 -15.856 1.00 0.00 O ATOM 0 H GLY A 26 0.236 -11.990 -11.906 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.125 -11.961 -13.569 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.238 -13.142 -14.512 1.00 0.00 H new ATOM 413 N ASP A 27 0.141 -10.097 -13.967 1.00 0.00 N ATOM 414 CA ASP A 27 -0.497 -8.894 -14.592 1.00 0.00 C ATOM 415 C ASP A 27 0.274 -7.606 -14.102 1.00 0.00 C ATOM 416 O ASP A 27 1.189 -7.659 -13.297 1.00 0.00 O ATOM 417 CB ASP A 27 -2.028 -8.959 -14.172 1.00 0.00 C ATOM 418 CG ASP A 27 -2.883 -8.060 -15.028 1.00 0.00 C ATOM 419 OD1 ASP A 27 -2.711 -6.873 -14.971 1.00 0.00 O ATOM 420 OD2 ASP A 27 -3.727 -8.541 -15.755 1.00 0.00 O ATOM 0 H ASP A 27 0.289 -10.015 -12.961 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.443 -8.863 -15.680 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.384 -9.986 -14.255 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.130 -8.670 -13.126 1.00 0.00 H new ATOM 425 N THR A 28 -0.116 -6.472 -14.597 1.00 0.00 N ATOM 426 CA THR A 28 0.519 -5.168 -14.233 1.00 0.00 C ATOM 427 C THR A 28 -0.365 -4.200 -13.450 1.00 0.00 C ATOM 428 O THR A 28 -1.576 -4.202 -13.519 1.00 0.00 O ATOM 429 CB THR A 28 0.994 -4.491 -15.526 1.00 0.00 C ATOM 430 OG1 THR A 28 1.787 -5.459 -16.180 1.00 0.00 O ATOM 431 CG2 THR A 28 2.071 -3.462 -15.331 1.00 0.00 C ATOM 0 H THR A 28 -0.880 -6.386 -15.267 1.00 0.00 H new ATOM 0 HA THR A 28 1.339 -5.408 -13.556 1.00 0.00 H new ATOM 0 HB THR A 28 0.099 -4.083 -15.996 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.444 -5.604 -17.087 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.346 -3.035 -16.296 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.705 -2.672 -14.676 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.945 -3.931 -14.880 1.00 0.00 H new ATOM 439 N VAL A 29 0.267 -3.364 -12.681 1.00 0.00 N ATOM 440 CA VAL A 29 -0.417 -2.325 -11.844 1.00 0.00 C ATOM 441 C VAL A 29 0.097 -0.894 -12.149 1.00 0.00 C ATOM 442 O VAL A 29 1.288 -0.756 -12.396 1.00 0.00 O ATOM 443 CB VAL A 29 -0.164 -2.647 -10.353 1.00 0.00 C ATOM 444 CG1 VAL A 29 -0.924 -1.636 -9.464 1.00 0.00 C ATOM 445 CG2 VAL A 29 -0.731 -4.027 -10.015 1.00 0.00 C ATOM 0 H VAL A 29 1.283 -3.354 -12.590 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.481 -2.349 -12.078 1.00 0.00 H new ATOM 0 HB VAL A 29 0.911 -2.605 -10.177 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.743 -1.867 -8.414 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.573 -0.627 -9.679 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.992 -1.701 -9.671 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.549 -4.247 -8.963 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.804 -4.037 -10.208 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.245 -4.782 -10.633 1.00 0.00 H new ATOM 455 N GLU A 30 -0.729 0.114 -12.133 1.00 0.00 N ATOM 456 CA GLU A 30 -0.242 1.490 -12.415 1.00 0.00 C ATOM 457 C GLU A 30 -0.284 2.347 -11.138 1.00 0.00 C ATOM 458 O GLU A 30 -1.292 2.462 -10.482 1.00 0.00 O ATOM 459 CB GLU A 30 -1.120 2.087 -13.534 1.00 0.00 C ATOM 460 CG GLU A 30 -1.068 3.663 -13.429 1.00 0.00 C ATOM 461 CD GLU A 30 -1.414 4.354 -14.726 1.00 0.00 C ATOM 462 OE1 GLU A 30 -2.544 4.177 -15.122 1.00 0.00 O ATOM 463 OE2 GLU A 30 -0.503 5.004 -15.202 1.00 0.00 O ATOM 0 H GLU A 30 -1.727 0.042 -11.935 1.00 0.00 H new ATOM 0 HA GLU A 30 0.796 1.469 -12.746 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.762 1.761 -14.510 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.147 1.735 -13.437 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.759 3.993 -12.653 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.069 3.968 -13.117 1.00 0.00 H new ATOM 470 N PHE A 31 0.828 2.933 -10.810 1.00 0.00 N ATOM 471 CA PHE A 31 0.914 3.795 -9.584 1.00 0.00 C ATOM 472 C PHE A 31 1.142 5.281 -9.965 1.00 0.00 C ATOM 473 O PHE A 31 2.264 5.651 -10.253 1.00 0.00 O ATOM 474 CB PHE A 31 2.084 3.252 -8.716 1.00 0.00 C ATOM 475 CG PHE A 31 1.955 1.749 -8.425 1.00 0.00 C ATOM 476 CD1 PHE A 31 2.514 0.823 -9.283 1.00 0.00 C ATOM 477 CD2 PHE A 31 1.286 1.302 -7.305 1.00 0.00 C ATOM 478 CE1 PHE A 31 2.406 -0.528 -9.024 1.00 0.00 C ATOM 479 CE2 PHE A 31 1.176 -0.048 -7.042 1.00 0.00 C ATOM 480 CZ PHE A 31 1.738 -0.962 -7.902 1.00 0.00 C ATOM 0 H PHE A 31 1.696 2.856 -11.340 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.021 3.757 -9.025 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.028 3.440 -9.227 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.117 3.799 -7.774 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.040 1.159 -10.164 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.843 2.016 -6.626 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.846 -1.245 -9.702 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.649 -0.386 -6.162 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.655 -2.019 -7.697 1.00 0.00 H new ATOM 490 N LEU A 32 0.108 6.080 -9.968 1.00 0.00 N ATOM 491 CA LEU A 32 0.220 7.534 -10.320 1.00 0.00 C ATOM 492 C LEU A 32 0.251 8.469 -9.071 1.00 0.00 C ATOM 493 O LEU A 32 -0.635 8.448 -8.238 1.00 0.00 O ATOM 494 CB LEU A 32 -0.985 7.794 -11.265 1.00 0.00 C ATOM 495 CG LEU A 32 -0.930 9.174 -11.958 1.00 0.00 C ATOM 496 CD1 LEU A 32 -1.941 9.148 -13.099 1.00 0.00 C ATOM 497 CD2 LEU A 32 -1.389 10.290 -11.014 1.00 0.00 C ATOM 0 H LEU A 32 -0.838 5.780 -9.735 1.00 0.00 H new ATOM 0 HA LEU A 32 1.168 7.765 -10.807 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.017 7.014 -12.026 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.910 7.719 -10.693 1.00 0.00 H new ATOM 0 HG LEU A 32 0.094 9.360 -12.282 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.932 10.108 -13.615 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.677 8.357 -13.801 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.937 8.961 -12.698 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.339 11.248 -11.532 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.415 10.101 -10.699 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.740 10.316 -10.139 1.00 0.00 H new ATOM 509 N ASN A 33 1.259 9.296 -8.952 1.00 0.00 N ATOM 510 CA ASN A 33 1.358 10.222 -7.758 1.00 0.00 C ATOM 511 C ASN A 33 0.557 11.543 -7.776 1.00 0.00 C ATOM 512 O ASN A 33 1.065 12.643 -7.678 1.00 0.00 O ATOM 513 CB ASN A 33 2.861 10.523 -7.529 1.00 0.00 C ATOM 514 CG ASN A 33 3.504 11.125 -8.738 1.00 0.00 C ATOM 515 OD1 ASN A 33 4.040 10.451 -9.574 1.00 0.00 O ATOM 516 ND2 ASN A 33 3.495 12.389 -8.900 1.00 0.00 N ATOM 0 H ASN A 33 2.022 9.378 -9.624 1.00 0.00 H new ATOM 0 HA ASN A 33 0.877 9.677 -6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.970 11.203 -6.684 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.379 9.601 -7.264 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.935 12.801 -9.723 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.047 12.989 -8.207 1.00 0.00 H new ATOM 523 N ASN A 34 -0.716 11.314 -7.888 1.00 0.00 N ATOM 524 CA ASN A 34 -1.796 12.356 -7.933 1.00 0.00 C ATOM 525 C ASN A 34 -1.421 13.868 -7.790 1.00 0.00 C ATOM 526 O ASN A 34 -1.103 14.519 -8.760 1.00 0.00 O ATOM 527 CB ASN A 34 -2.762 11.875 -6.843 1.00 0.00 C ATOM 528 CG ASN A 34 -4.017 12.697 -6.713 1.00 0.00 C ATOM 529 OD1 ASN A 34 -4.800 12.446 -5.840 1.00 0.00 O ATOM 530 ND2 ASN A 34 -4.311 13.668 -7.493 1.00 0.00 N ATOM 0 H ASN A 34 -1.087 10.366 -7.956 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.197 12.406 -8.945 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.040 10.842 -7.052 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.240 11.878 -5.886 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.178 14.188 -7.356 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.678 13.922 -8.252 1.00 0.00 H new ATOM 537 N LYS A 35 -1.485 14.381 -6.592 1.00 0.00 N ATOM 538 CA LYS A 35 -1.147 15.833 -6.331 1.00 0.00 C ATOM 539 C LYS A 35 -0.133 16.102 -5.199 1.00 0.00 C ATOM 540 O LYS A 35 0.303 17.208 -4.933 1.00 0.00 O ATOM 541 CB LYS A 35 -2.539 16.515 -6.087 1.00 0.00 C ATOM 542 CG LYS A 35 -2.428 17.950 -5.515 1.00 0.00 C ATOM 543 CD LYS A 35 -1.635 18.860 -6.497 1.00 0.00 C ATOM 544 CE LYS A 35 -1.276 20.152 -5.785 1.00 0.00 C ATOM 545 NZ LYS A 35 -0.481 20.973 -6.757 1.00 0.00 N ATOM 0 H LYS A 35 -1.760 13.856 -5.762 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.608 16.249 -7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.089 16.548 -7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.121 15.901 -5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.424 18.362 -5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.929 17.926 -4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.732 18.352 -6.836 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.234 19.071 -7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.174 20.684 -5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.696 19.949 -4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.211 21.873 -6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.376 20.452 -7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.056 21.164 -7.602 1.00 0.00 H new ATOM 559 N VAL A 36 0.190 15.008 -4.608 1.00 0.00 N ATOM 560 CA VAL A 36 1.147 14.912 -3.452 1.00 0.00 C ATOM 561 C VAL A 36 2.362 13.966 -3.660 1.00 0.00 C ATOM 562 O VAL A 36 2.356 12.826 -3.244 1.00 0.00 O ATOM 563 CB VAL A 36 0.287 14.495 -2.213 1.00 0.00 C ATOM 564 CG1 VAL A 36 -0.615 15.682 -1.854 1.00 0.00 C ATOM 565 CG2 VAL A 36 -0.661 13.309 -2.518 1.00 0.00 C ATOM 0 H VAL A 36 -0.189 14.103 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 36 1.629 15.881 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 36 0.973 14.205 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.230 15.424 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.002 16.548 -1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.259 15.919 -2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.233 13.062 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.344 13.586 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.074 12.443 -2.824 1.00 0.00 H new ATOM 575 N PRO A 37 3.384 14.457 -4.321 1.00 0.00 N ATOM 576 CA PRO A 37 4.682 13.721 -4.451 1.00 0.00 C ATOM 577 C PRO A 37 5.603 13.818 -3.179 1.00 0.00 C ATOM 578 O PRO A 37 5.314 14.542 -2.245 1.00 0.00 O ATOM 579 CB PRO A 37 5.265 14.360 -5.711 1.00 0.00 C ATOM 580 CG PRO A 37 4.873 15.851 -5.471 1.00 0.00 C ATOM 581 CD PRO A 37 3.402 15.771 -5.028 1.00 0.00 C ATOM 0 HA PRO A 37 4.570 12.640 -4.530 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.343 14.221 -5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.826 13.956 -6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.498 16.312 -4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.987 16.446 -6.377 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.124 16.596 -4.371 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.715 15.793 -5.874 1.00 0.00 H new ATOM 589 N PRO A 38 6.693 13.082 -3.157 1.00 0.00 N ATOM 590 CA PRO A 38 6.993 11.889 -4.004 1.00 0.00 C ATOM 591 C PRO A 38 6.756 10.538 -3.256 1.00 0.00 C ATOM 592 O PRO A 38 7.326 10.244 -2.220 1.00 0.00 O ATOM 593 CB PRO A 38 8.424 12.183 -4.387 1.00 0.00 C ATOM 594 CG PRO A 38 9.028 12.702 -3.031 1.00 0.00 C ATOM 595 CD PRO A 38 7.842 13.388 -2.268 1.00 0.00 C ATOM 0 HA PRO A 38 6.344 11.749 -4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.940 11.294 -4.749 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.489 12.933 -5.176 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.444 11.880 -2.448 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.839 13.408 -3.209 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.706 12.976 -1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.996 14.461 -2.153 1.00 0.00 H new ATOM 603 N HIS A 39 5.917 9.709 -3.805 1.00 0.00 N ATOM 604 CA HIS A 39 5.637 8.389 -3.129 1.00 0.00 C ATOM 605 C HIS A 39 6.704 7.292 -3.349 1.00 0.00 C ATOM 606 O HIS A 39 6.559 6.395 -4.151 1.00 0.00 O ATOM 607 CB HIS A 39 4.262 7.865 -3.614 1.00 0.00 C ATOM 608 CG HIS A 39 3.199 8.922 -3.367 1.00 0.00 C ATOM 609 ND1 HIS A 39 2.891 9.407 -2.177 1.00 0.00 N ATOM 610 CD2 HIS A 39 2.433 9.521 -4.333 1.00 0.00 C ATOM 611 CE1 HIS A 39 1.948 10.291 -2.428 1.00 0.00 C ATOM 612 NE2 HIS A 39 1.690 10.349 -3.682 1.00 0.00 N ATOM 0 H HIS A 39 5.414 9.872 -4.677 1.00 0.00 H new ATOM 0 HA HIS A 39 5.651 8.594 -2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.308 7.622 -4.676 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.005 6.946 -3.087 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.291 9.155 -1.273 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.448 9.340 -5.398 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.456 10.889 -1.675 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.995 10.964 -4.105 1.00 0.00 H new ATOM 620 N ASN A 40 7.769 7.403 -2.614 1.00 0.00 N ATOM 621 CA ASN A 40 8.890 6.414 -2.701 1.00 0.00 C ATOM 622 C ASN A 40 8.355 5.206 -1.904 1.00 0.00 C ATOM 623 O ASN A 40 8.577 5.094 -0.715 1.00 0.00 O ATOM 624 CB ASN A 40 10.140 7.091 -2.060 1.00 0.00 C ATOM 625 CG ASN A 40 11.234 6.093 -1.729 1.00 0.00 C ATOM 626 OD1 ASN A 40 11.522 5.837 -0.588 1.00 0.00 O ATOM 627 ND2 ASN A 40 11.896 5.484 -2.645 1.00 0.00 N ATOM 0 H ASN A 40 7.920 8.153 -1.939 1.00 0.00 H new ATOM 0 HA ASN A 40 9.188 6.098 -3.701 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.533 7.843 -2.744 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.841 7.613 -1.151 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.626 4.819 -2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.691 5.665 -3.628 1.00 0.00 H new ATOM 634 N VAL A 41 7.642 4.342 -2.572 1.00 0.00 N ATOM 635 CA VAL A 41 7.105 3.164 -1.820 1.00 0.00 C ATOM 636 C VAL A 41 7.848 1.859 -1.977 1.00 0.00 C ATOM 637 O VAL A 41 8.340 1.463 -3.012 1.00 0.00 O ATOM 638 CB VAL A 41 5.635 2.845 -2.199 1.00 0.00 C ATOM 639 CG1 VAL A 41 4.820 4.125 -2.424 1.00 0.00 C ATOM 640 CG2 VAL A 41 5.488 2.053 -3.514 1.00 0.00 C ATOM 0 H VAL A 41 7.412 4.390 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 41 7.222 3.506 -0.792 1.00 0.00 H new ATOM 0 HB VAL A 41 5.276 2.256 -1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.796 3.862 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.818 4.721 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.266 4.703 -3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.432 1.868 -3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.915 2.629 -4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.012 1.102 -3.426 1.00 0.00 H new ATOM 650 N VAL A 42 7.875 1.186 -0.885 1.00 0.00 N ATOM 651 CA VAL A 42 8.547 -0.125 -0.804 1.00 0.00 C ATOM 652 C VAL A 42 7.461 -1.215 -0.641 1.00 0.00 C ATOM 653 O VAL A 42 6.296 -0.885 -0.517 1.00 0.00 O ATOM 654 CB VAL A 42 9.549 0.002 0.400 1.00 0.00 C ATOM 655 CG1 VAL A 42 10.560 1.143 0.076 1.00 0.00 C ATOM 656 CG2 VAL A 42 8.832 0.477 1.660 1.00 0.00 C ATOM 0 H VAL A 42 7.446 1.496 -0.013 1.00 0.00 H new ATOM 0 HA VAL A 42 9.112 -0.413 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 42 10.014 -0.973 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.266 1.248 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.102 0.900 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.020 2.080 -0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.548 0.556 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.381 1.452 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.054 -0.238 1.927 1.00 0.00 H new ATOM 666 N PHE A 43 7.807 -2.472 -0.644 1.00 0.00 N ATOM 667 CA PHE A 43 6.729 -3.495 -0.481 1.00 0.00 C ATOM 668 C PHE A 43 6.707 -4.073 0.937 1.00 0.00 C ATOM 669 O PHE A 43 7.727 -4.450 1.481 1.00 0.00 O ATOM 670 CB PHE A 43 6.932 -4.621 -1.521 1.00 0.00 C ATOM 671 CG PHE A 43 6.003 -4.331 -2.708 1.00 0.00 C ATOM 672 CD1 PHE A 43 6.378 -3.489 -3.730 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.758 -4.919 -2.761 1.00 0.00 C ATOM 674 CE1 PHE A 43 5.535 -3.235 -4.786 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.904 -4.671 -3.816 1.00 0.00 C ATOM 676 CZ PHE A 43 4.297 -3.826 -4.831 1.00 0.00 C ATOM 0 H PHE A 43 8.756 -2.831 -0.748 1.00 0.00 H new ATOM 0 HA PHE A 43 5.767 -3.011 -0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.971 -4.657 -1.848 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.702 -5.592 -1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.350 -3.020 -3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.447 -5.582 -1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.847 -2.571 -5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.931 -5.138 -3.846 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.633 -3.629 -5.660 1.00 0.00 H new ATOM 686 N ASP A 44 5.518 -4.091 1.457 1.00 0.00 N ATOM 687 CA ASP A 44 5.241 -4.612 2.826 1.00 0.00 C ATOM 688 C ASP A 44 5.741 -6.090 3.106 1.00 0.00 C ATOM 689 O ASP A 44 6.091 -6.870 2.236 1.00 0.00 O ATOM 690 CB ASP A 44 3.696 -4.427 2.967 1.00 0.00 C ATOM 691 CG ASP A 44 3.033 -5.628 3.587 1.00 0.00 C ATOM 692 OD1 ASP A 44 3.169 -5.750 4.787 1.00 0.00 O ATOM 693 OD2 ASP A 44 2.439 -6.352 2.814 1.00 0.00 O ATOM 0 H ASP A 44 4.689 -3.752 0.970 1.00 0.00 H new ATOM 0 HA ASP A 44 5.808 -4.072 3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.491 -3.547 3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.263 -4.242 1.984 1.00 0.00 H new ATOM 698 N ALA A 45 5.733 -6.388 4.370 1.00 0.00 N ATOM 699 CA ALA A 45 6.140 -7.695 4.943 1.00 0.00 C ATOM 700 C ALA A 45 4.934 -8.425 5.623 1.00 0.00 C ATOM 701 O ALA A 45 4.685 -9.607 5.466 1.00 0.00 O ATOM 702 CB ALA A 45 7.276 -7.379 5.936 1.00 0.00 C ATOM 0 H ALA A 45 5.436 -5.721 5.082 1.00 0.00 H new ATOM 0 HA ALA A 45 6.483 -8.385 4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.624 -8.303 6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.102 -6.905 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.907 -6.705 6.709 1.00 0.00 H new ATOM 708 N ALA A 46 4.205 -7.652 6.378 1.00 0.00 N ATOM 709 CA ALA A 46 3.005 -8.131 7.132 1.00 0.00 C ATOM 710 C ALA A 46 2.016 -8.892 6.220 1.00 0.00 C ATOM 711 O ALA A 46 1.547 -9.971 6.553 1.00 0.00 O ATOM 712 CB ALA A 46 2.373 -6.873 7.770 1.00 0.00 C ATOM 0 H ALA A 46 4.400 -6.660 6.510 1.00 0.00 H new ATOM 0 HA ALA A 46 3.283 -8.854 7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.487 -7.159 8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.095 -6.402 8.437 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.091 -6.170 6.986 1.00 0.00 H new ATOM 718 N LEU A 47 1.739 -8.316 5.089 1.00 0.00 N ATOM 719 CA LEU A 47 0.794 -8.947 4.118 1.00 0.00 C ATOM 720 C LEU A 47 1.479 -9.614 2.899 1.00 0.00 C ATOM 721 O LEU A 47 0.911 -9.804 1.843 1.00 0.00 O ATOM 722 CB LEU A 47 -0.198 -7.816 3.716 1.00 0.00 C ATOM 723 CG LEU A 47 -1.493 -7.770 4.580 1.00 0.00 C ATOM 724 CD1 LEU A 47 -2.282 -9.088 4.464 1.00 0.00 C ATOM 725 CD2 LEU A 47 -1.124 -7.581 6.049 1.00 0.00 C ATOM 0 H LEU A 47 2.129 -7.423 4.787 1.00 0.00 H new ATOM 0 HA LEU A 47 0.281 -9.789 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.312 -6.856 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.476 -7.946 2.670 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.103 -6.942 4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.181 -9.029 5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.562 -9.254 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.662 -9.915 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.032 -7.549 6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.500 -8.412 6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.576 -6.646 6.169 1.00 0.00 H new ATOM 737 N ASN A 48 2.703 -9.988 3.111 1.00 0.00 N ATOM 738 CA ASN A 48 3.517 -10.661 2.048 1.00 0.00 C ATOM 739 C ASN A 48 3.340 -12.191 2.305 1.00 0.00 C ATOM 740 O ASN A 48 3.611 -12.648 3.400 1.00 0.00 O ATOM 741 CB ASN A 48 4.979 -10.120 2.234 1.00 0.00 C ATOM 742 CG ASN A 48 6.028 -10.975 1.556 1.00 0.00 C ATOM 743 OD1 ASN A 48 5.851 -11.484 0.475 1.00 0.00 O ATOM 744 ND2 ASN A 48 7.157 -11.165 2.146 1.00 0.00 N ATOM 0 H ASN A 48 3.193 -9.856 3.996 1.00 0.00 H new ATOM 0 HA ASN A 48 3.231 -10.467 1.014 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.036 -9.106 1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.203 -10.060 3.299 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.876 -11.734 1.700 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.332 -10.746 3.060 1.00 0.00 H new ATOM 751 N PRO A 49 2.884 -12.955 1.331 1.00 0.00 N ATOM 752 CA PRO A 49 2.298 -14.319 1.572 1.00 0.00 C ATOM 753 C PRO A 49 3.006 -15.125 2.688 1.00 0.00 C ATOM 754 O PRO A 49 2.425 -15.446 3.710 1.00 0.00 O ATOM 755 CB PRO A 49 2.346 -14.961 0.147 1.00 0.00 C ATOM 756 CG PRO A 49 3.253 -14.003 -0.679 1.00 0.00 C ATOM 757 CD PRO A 49 2.916 -12.622 -0.117 1.00 0.00 C ATOM 0 HA PRO A 49 1.286 -14.291 1.976 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.759 -15.969 0.179 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.349 -15.038 -0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.309 -14.241 -0.553 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.038 -14.066 -1.746 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.671 -11.874 -0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.962 -12.241 -0.482 1.00 0.00 H new ATOM 765 N ALA A 50 4.256 -15.397 2.451 1.00 0.00 N ATOM 766 CA ALA A 50 5.098 -16.170 3.421 1.00 0.00 C ATOM 767 C ALA A 50 6.074 -15.233 4.198 1.00 0.00 C ATOM 768 O ALA A 50 7.228 -15.542 4.411 1.00 0.00 O ATOM 769 CB ALA A 50 5.826 -17.237 2.572 1.00 0.00 C ATOM 0 H ALA A 50 4.748 -15.111 1.605 1.00 0.00 H new ATOM 0 HA ALA A 50 4.501 -16.645 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.463 -17.843 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.091 -17.877 2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.438 -16.745 1.816 1.00 0.00 H new ATOM 775 N LYS A 51 5.521 -14.114 4.582 1.00 0.00 N ATOM 776 CA LYS A 51 6.205 -13.015 5.353 1.00 0.00 C ATOM 777 C LYS A 51 7.752 -13.038 5.344 1.00 0.00 C ATOM 778 O LYS A 51 8.435 -13.167 6.339 1.00 0.00 O ATOM 779 CB LYS A 51 5.637 -13.081 6.812 1.00 0.00 C ATOM 780 CG LYS A 51 4.137 -12.676 6.819 1.00 0.00 C ATOM 781 CD LYS A 51 3.226 -13.912 6.474 1.00 0.00 C ATOM 782 CE LYS A 51 1.893 -13.442 5.920 1.00 0.00 C ATOM 783 NZ LYS A 51 1.249 -12.672 7.027 1.00 0.00 N ATOM 0 H LYS A 51 4.545 -13.898 4.377 1.00 0.00 H new ATOM 0 HA LYS A 51 5.985 -12.070 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.751 -14.089 7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.205 -12.415 7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.866 -12.280 7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.967 -11.879 6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.726 -14.550 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.065 -14.515 7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.033 -12.818 5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.274 -14.287 5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.215 -12.767 6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.572 -13.044 7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.510 -11.668 6.950 1.00 0.00 H new ATOM 797 N SER A 52 8.231 -12.885 4.148 1.00 0.00 N ATOM 798 CA SER A 52 9.702 -12.871 3.861 1.00 0.00 C ATOM 799 C SER A 52 10.241 -11.426 3.685 1.00 0.00 C ATOM 800 O SER A 52 9.498 -10.468 3.806 1.00 0.00 O ATOM 801 CB SER A 52 9.878 -13.725 2.599 1.00 0.00 C ATOM 802 OG SER A 52 9.325 -12.944 1.533 1.00 0.00 O ATOM 0 H SER A 52 7.647 -12.764 3.320 1.00 0.00 H new ATOM 0 HA SER A 52 10.281 -13.277 4.690 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.930 -13.948 2.419 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.362 -14.680 2.695 1.00 0.00 H new ATOM 0 HG SER A 52 9.980 -12.870 0.808 1.00 0.00 H new ATOM 808 N ALA A 53 11.509 -11.284 3.402 1.00 0.00 N ATOM 809 CA ALA A 53 12.139 -9.918 3.219 1.00 0.00 C ATOM 810 C ALA A 53 12.550 -9.762 1.736 1.00 0.00 C ATOM 811 O ALA A 53 12.266 -8.788 1.060 1.00 0.00 O ATOM 812 CB ALA A 53 13.332 -9.878 4.202 1.00 0.00 C ATOM 0 H ALA A 53 12.156 -12.064 3.286 1.00 0.00 H new ATOM 0 HA ALA A 53 11.471 -9.085 3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.836 -8.915 4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.969 -10.015 5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.033 -10.676 3.956 1.00 0.00 H new ATOM 818 N ASP A 54 13.244 -10.774 1.327 1.00 0.00 N ATOM 819 CA ASP A 54 13.788 -10.974 -0.049 1.00 0.00 C ATOM 820 C ASP A 54 12.841 -10.309 -1.094 1.00 0.00 C ATOM 821 O ASP A 54 13.206 -9.397 -1.817 1.00 0.00 O ATOM 822 CB ASP A 54 13.929 -12.538 -0.105 1.00 0.00 C ATOM 823 CG ASP A 54 12.789 -13.159 0.673 1.00 0.00 C ATOM 824 OD1 ASP A 54 11.731 -13.301 0.105 1.00 0.00 O ATOM 825 OD2 ASP A 54 13.041 -13.425 1.832 1.00 0.00 O ATOM 0 H ASP A 54 13.480 -11.546 1.950 1.00 0.00 H new ATOM 0 HA ASP A 54 14.743 -10.503 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.911 -12.882 -1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.886 -12.846 0.317 1.00 0.00 H new ATOM 830 N LEU A 55 11.626 -10.783 -1.139 1.00 0.00 N ATOM 831 CA LEU A 55 10.642 -10.204 -2.099 1.00 0.00 C ATOM 832 C LEU A 55 10.340 -8.759 -1.660 1.00 0.00 C ATOM 833 O LEU A 55 10.650 -7.856 -2.400 1.00 0.00 O ATOM 834 CB LEU A 55 9.354 -11.061 -2.090 1.00 0.00 C ATOM 835 CG LEU A 55 8.296 -10.398 -3.013 1.00 0.00 C ATOM 836 CD1 LEU A 55 8.777 -10.377 -4.472 1.00 0.00 C ATOM 837 CD2 LEU A 55 7.032 -11.220 -2.963 1.00 0.00 C ATOM 0 H LEU A 55 11.273 -11.542 -0.556 1.00 0.00 H new ATOM 0 HA LEU A 55 11.042 -10.200 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.573 -12.072 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.966 -11.147 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 55 8.129 -9.377 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.018 -9.908 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.706 -9.811 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.949 -11.398 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.278 -10.767 -3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.243 -12.233 -3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.661 -11.255 -1.939 1.00 0.00 H new ATOM 849 N ALA A 56 9.756 -8.559 -0.507 1.00 0.00 N ATOM 850 CA ALA A 56 9.427 -7.175 0.009 1.00 0.00 C ATOM 851 C ALA A 56 10.421 -6.070 -0.496 1.00 0.00 C ATOM 852 O ALA A 56 10.064 -4.990 -0.935 1.00 0.00 O ATOM 853 CB ALA A 56 9.409 -7.306 1.550 1.00 0.00 C ATOM 0 H ALA A 56 9.482 -9.313 0.123 1.00 0.00 H new ATOM 0 HA ALA A 56 8.464 -6.836 -0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.176 -6.338 1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.651 -8.032 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.386 -7.640 1.898 1.00 0.00 H new ATOM 859 N LYS A 57 11.684 -6.384 -0.426 1.00 0.00 N ATOM 860 CA LYS A 57 12.746 -5.424 -0.880 1.00 0.00 C ATOM 861 C LYS A 57 13.032 -5.509 -2.403 1.00 0.00 C ATOM 862 O LYS A 57 13.313 -4.497 -3.020 1.00 0.00 O ATOM 863 CB LYS A 57 13.997 -5.741 -0.017 1.00 0.00 C ATOM 864 CG LYS A 57 15.114 -4.673 -0.218 1.00 0.00 C ATOM 865 CD LYS A 57 14.587 -3.226 0.109 1.00 0.00 C ATOM 866 CE LYS A 57 13.935 -3.119 1.490 1.00 0.00 C ATOM 867 NZ LYS A 57 14.989 -3.478 2.492 1.00 0.00 N ATOM 0 H LYS A 57 12.036 -7.273 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 57 12.421 -4.393 -0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.714 -5.780 1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 57 14.382 -6.726 -0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 57 15.963 -4.907 0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 57 15.473 -4.708 -1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.417 -2.522 0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.864 -2.929 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.562 -2.110 1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.081 -3.792 1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.668 -3.211 3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.164 -4.503 2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.868 -2.970 2.268 1.00 0.00 H new ATOM 881 N SER A 58 12.982 -6.665 -2.990 1.00 0.00 N ATOM 882 CA SER A 58 13.239 -6.748 -4.482 1.00 0.00 C ATOM 883 C SER A 58 12.047 -6.075 -5.195 1.00 0.00 C ATOM 884 O SER A 58 12.175 -5.453 -6.227 1.00 0.00 O ATOM 885 CB SER A 58 13.329 -8.205 -4.907 1.00 0.00 C ATOM 886 OG SER A 58 14.466 -8.638 -4.174 1.00 0.00 O ATOM 0 H SER A 58 12.780 -7.551 -2.528 1.00 0.00 H new ATOM 0 HA SER A 58 14.175 -6.252 -4.739 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.432 -8.766 -4.644 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.468 -8.312 -5.983 1.00 0.00 H new ATOM 0 HG SER A 58 14.185 -8.947 -3.287 1.00 0.00 H new ATOM 892 N LEU A 59 10.916 -6.240 -4.565 1.00 0.00 N ATOM 893 CA LEU A 59 9.585 -5.708 -5.001 1.00 0.00 C ATOM 894 C LEU A 59 9.510 -4.189 -4.639 1.00 0.00 C ATOM 895 O LEU A 59 9.072 -3.398 -5.445 1.00 0.00 O ATOM 896 CB LEU A 59 8.540 -6.608 -4.274 1.00 0.00 C ATOM 897 CG LEU A 59 7.155 -6.563 -4.948 1.00 0.00 C ATOM 898 CD1 LEU A 59 7.234 -7.145 -6.364 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.209 -7.467 -4.160 1.00 0.00 C ATOM 0 H LEU A 59 10.858 -6.766 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 59 9.400 -5.751 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.900 -7.637 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.447 -6.286 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 59 6.813 -5.529 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.249 -7.107 -6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.938 -6.562 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.572 -8.180 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.221 -7.450 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.593 -8.487 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.136 -7.110 -3.133 1.00 0.00 H new ATOM 911 N SER A 60 9.904 -3.780 -3.447 1.00 0.00 N ATOM 912 CA SER A 60 9.871 -2.293 -3.064 1.00 0.00 C ATOM 913 C SER A 60 10.434 -1.426 -4.225 1.00 0.00 C ATOM 914 O SER A 60 11.317 -1.912 -4.901 1.00 0.00 O ATOM 915 CB SER A 60 10.770 -2.045 -1.830 1.00 0.00 C ATOM 916 OG SER A 60 12.054 -2.484 -2.261 1.00 0.00 O ATOM 0 H SER A 60 10.249 -4.400 -2.714 1.00 0.00 H new ATOM 0 HA SER A 60 8.836 -2.025 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.780 -0.993 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.424 -2.606 -0.962 1.00 0.00 H new ATOM 0 HG SER A 60 11.982 -3.387 -2.636 1.00 0.00 H new ATOM 922 N HIS A 61 10.008 -0.211 -4.468 1.00 0.00 N ATOM 923 CA HIS A 61 10.650 0.515 -5.636 1.00 0.00 C ATOM 924 C HIS A 61 12.131 0.927 -5.360 1.00 0.00 C ATOM 925 O HIS A 61 12.705 0.569 -4.343 1.00 0.00 O ATOM 926 CB HIS A 61 9.783 1.767 -5.961 1.00 0.00 C ATOM 927 CG HIS A 61 8.413 1.302 -6.417 1.00 0.00 C ATOM 928 ND1 HIS A 61 7.469 1.002 -5.608 1.00 0.00 N ATOM 929 CD2 HIS A 61 7.872 1.090 -7.667 1.00 0.00 C ATOM 930 CE1 HIS A 61 6.415 0.627 -6.270 1.00 0.00 C ATOM 931 NE2 HIS A 61 6.627 0.670 -7.562 1.00 0.00 N ATOM 0 H HIS A 61 9.289 0.295 -3.951 1.00 0.00 H new ATOM 0 HA HIS A 61 10.686 -0.165 -6.487 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.693 2.404 -5.081 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.258 2.364 -6.739 1.00 0.00 H new ATOM 0 HD1 HIS A 61 7.534 1.050 -4.591 1.00 0.00 H new ATOM 0 HD2 HIS A 61 8.394 1.246 -8.600 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.485 0.320 -5.814 1.00 0.00 H new ATOM 939 N LYS A 62 12.714 1.646 -6.281 1.00 0.00 N ATOM 940 CA LYS A 62 14.145 2.128 -6.160 1.00 0.00 C ATOM 941 C LYS A 62 14.278 3.652 -6.394 1.00 0.00 C ATOM 942 O LYS A 62 15.258 4.272 -6.038 1.00 0.00 O ATOM 943 CB LYS A 62 15.034 1.376 -7.206 1.00 0.00 C ATOM 944 CG LYS A 62 14.756 -0.156 -7.236 1.00 0.00 C ATOM 945 CD LYS A 62 15.013 -0.780 -5.828 1.00 0.00 C ATOM 946 CE LYS A 62 14.036 -1.928 -5.591 1.00 0.00 C ATOM 947 NZ LYS A 62 13.798 -1.958 -4.122 1.00 0.00 N ATOM 0 H LYS A 62 12.253 1.934 -7.144 1.00 0.00 H new ATOM 0 HA LYS A 62 14.474 1.917 -5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.855 1.794 -8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 62 16.085 1.546 -6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.726 -0.340 -7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.397 -0.635 -7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.039 -1.142 -5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.892 -0.021 -5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.105 -1.768 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.451 -2.874 -5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.787 -2.117 -3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.353 -2.728 -3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.088 -1.051 -3.705 1.00 0.00 H new ATOM 961 N GLN A 63 13.266 4.201 -6.996 1.00 0.00 N ATOM 962 CA GLN A 63 13.221 5.661 -7.313 1.00 0.00 C ATOM 963 C GLN A 63 12.159 6.425 -6.462 1.00 0.00 C ATOM 964 O GLN A 63 11.568 5.909 -5.531 1.00 0.00 O ATOM 965 CB GLN A 63 12.904 5.838 -8.865 1.00 0.00 C ATOM 966 CG GLN A 63 12.996 4.513 -9.747 1.00 0.00 C ATOM 967 CD GLN A 63 11.794 3.577 -9.574 1.00 0.00 C ATOM 968 OE1 GLN A 63 11.689 2.821 -8.639 1.00 0.00 O ATOM 969 NE2 GLN A 63 10.844 3.581 -10.440 1.00 0.00 N ATOM 0 H GLN A 63 12.438 3.685 -7.293 1.00 0.00 H new ATOM 0 HA GLN A 63 14.192 6.091 -7.066 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.900 6.251 -8.967 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.595 6.574 -9.276 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.082 4.791 -10.798 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.906 3.974 -9.485 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.891 4.204 -11.246 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.043 2.961 -10.321 1.00 0.00 H new ATOM 978 N LEU A 64 11.957 7.666 -6.804 1.00 0.00 N ATOM 979 CA LEU A 64 10.963 8.539 -6.095 1.00 0.00 C ATOM 980 C LEU A 64 10.041 9.254 -7.122 1.00 0.00 C ATOM 981 O LEU A 64 10.496 9.727 -8.144 1.00 0.00 O ATOM 982 CB LEU A 64 11.750 9.570 -5.239 1.00 0.00 C ATOM 983 CG LEU A 64 12.637 8.842 -4.209 1.00 0.00 C ATOM 984 CD1 LEU A 64 14.056 8.670 -4.754 1.00 0.00 C ATOM 985 CD2 LEU A 64 12.726 9.694 -2.946 1.00 0.00 C ATOM 0 H LEU A 64 12.451 8.130 -7.566 1.00 0.00 H new ATOM 0 HA LEU A 64 10.324 7.937 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.368 10.194 -5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.054 10.234 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 64 12.200 7.866 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 64 14.670 8.155 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.024 8.084 -5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 64 14.486 9.649 -4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 64 13.351 9.189 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.163 10.662 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.727 9.840 -2.535 1.00 0.00 H new ATOM 997 N LEU A 65 8.772 9.335 -6.842 1.00 0.00 N ATOM 998 CA LEU A 65 7.833 10.015 -7.806 1.00 0.00 C ATOM 999 C LEU A 65 7.855 11.562 -7.633 1.00 0.00 C ATOM 1000 O LEU A 65 6.968 12.186 -7.088 1.00 0.00 O ATOM 1001 CB LEU A 65 6.426 9.402 -7.556 1.00 0.00 C ATOM 1002 CG LEU A 65 6.305 7.979 -8.163 1.00 0.00 C ATOM 1003 CD1 LEU A 65 7.184 6.963 -7.438 1.00 0.00 C ATOM 1004 CD2 LEU A 65 4.866 7.511 -8.033 1.00 0.00 C ATOM 0 H LEU A 65 8.336 8.966 -5.997 1.00 0.00 H new ATOM 0 HA LEU A 65 8.137 9.847 -8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.233 9.358 -6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.664 10.049 -7.991 1.00 0.00 H new ATOM 0 HG LEU A 65 6.626 8.041 -9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.064 5.983 -7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.227 7.271 -7.506 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.889 6.909 -6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.769 6.511 -8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.585 7.488 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.210 8.197 -8.569 1.00 0.00 H new ATOM 1016 N MET A 66 8.923 12.121 -8.126 1.00 0.00 N ATOM 1017 CA MET A 66 9.185 13.609 -8.081 1.00 0.00 C ATOM 1018 C MET A 66 8.390 14.441 -9.139 1.00 0.00 C ATOM 1019 O MET A 66 8.510 15.645 -9.236 1.00 0.00 O ATOM 1020 CB MET A 66 10.722 13.717 -8.247 1.00 0.00 C ATOM 1021 CG MET A 66 11.249 15.160 -8.102 1.00 0.00 C ATOM 1022 SD MET A 66 13.036 15.354 -8.311 1.00 0.00 S ATOM 1023 CE MET A 66 13.550 14.940 -6.627 1.00 0.00 C ATOM 0 H MET A 66 9.666 11.591 -8.582 1.00 0.00 H new ATOM 0 HA MET A 66 8.830 14.047 -7.148 1.00 0.00 H new ATOM 0 HB2 MET A 66 11.207 13.084 -7.504 1.00 0.00 H new ATOM 0 HB3 MET A 66 11.003 13.331 -9.227 1.00 0.00 H new ATOM 0 HG2 MET A 66 10.744 15.789 -8.834 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.972 15.533 -7.116 1.00 0.00 H new ATOM 0 HE1 MET A 66 14.636 15.003 -6.552 1.00 0.00 H new ATOM 0 HE2 MET A 66 13.096 15.640 -5.926 1.00 0.00 H new ATOM 0 HE3 MET A 66 13.228 13.927 -6.387 1.00 0.00 H new ATOM 1033 N SER A 67 7.583 13.767 -9.896 1.00 0.00 N ATOM 1034 CA SER A 67 6.727 14.380 -10.980 1.00 0.00 C ATOM 1035 C SER A 67 5.199 14.466 -10.662 1.00 0.00 C ATOM 1036 O SER A 67 4.407 13.703 -11.180 1.00 0.00 O ATOM 1037 CB SER A 67 6.983 13.543 -12.247 1.00 0.00 C ATOM 1038 OG SER A 67 6.986 12.202 -11.759 1.00 0.00 O ATOM 0 H SER A 67 7.465 12.757 -9.813 1.00 0.00 H new ATOM 0 HA SER A 67 7.013 15.425 -11.095 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.205 13.697 -12.995 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.932 13.803 -12.716 1.00 0.00 H new ATOM 0 HG SER A 67 7.064 11.580 -12.512 1.00 0.00 H new ATOM 1044 N PRO A 68 4.801 15.394 -9.808 1.00 0.00 N ATOM 1045 CA PRO A 68 3.362 15.584 -9.387 1.00 0.00 C ATOM 1046 C PRO A 68 2.246 15.352 -10.462 1.00 0.00 C ATOM 1047 O PRO A 68 1.767 16.283 -11.079 1.00 0.00 O ATOM 1048 CB PRO A 68 3.375 17.026 -8.771 1.00 0.00 C ATOM 1049 CG PRO A 68 4.746 17.617 -9.195 1.00 0.00 C ATOM 1050 CD PRO A 68 5.681 16.412 -9.168 1.00 0.00 C ATOM 0 HA PRO A 68 3.061 14.800 -8.693 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.549 17.627 -9.151 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.274 16.995 -7.686 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.699 18.066 -10.187 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.076 18.396 -8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.599 16.583 -9.730 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.974 16.133 -8.156 1.00 0.00 H new ATOM 1058 N GLY A 69 1.870 14.113 -10.645 1.00 0.00 N ATOM 1059 CA GLY A 69 0.803 13.724 -11.651 1.00 0.00 C ATOM 1060 C GLY A 69 1.176 12.543 -12.560 1.00 0.00 C ATOM 1061 O GLY A 69 0.350 12.040 -13.293 1.00 0.00 O ATOM 0 H GLY A 69 2.262 13.324 -10.131 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.111 13.475 -11.112 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.580 14.589 -12.276 1.00 0.00 H new ATOM 1065 N GLN A 70 2.405 12.114 -12.513 1.00 0.00 N ATOM 1066 CA GLN A 70 2.859 10.960 -13.368 1.00 0.00 C ATOM 1067 C GLN A 70 2.737 9.543 -12.713 1.00 0.00 C ATOM 1068 O GLN A 70 2.505 9.368 -11.533 1.00 0.00 O ATOM 1069 CB GLN A 70 4.322 11.308 -13.753 1.00 0.00 C ATOM 1070 CG GLN A 70 5.006 10.194 -14.641 1.00 0.00 C ATOM 1071 CD GLN A 70 6.412 10.618 -15.036 1.00 0.00 C ATOM 1072 OE1 GLN A 70 7.223 10.973 -14.219 1.00 0.00 O ATOM 1073 NE2 GLN A 70 6.783 10.613 -16.264 1.00 0.00 N ATOM 0 H GLN A 70 3.129 12.512 -11.915 1.00 0.00 H new ATOM 0 HA GLN A 70 2.201 10.860 -14.231 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.335 12.255 -14.293 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.907 11.451 -12.845 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.044 9.254 -14.090 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.409 10.016 -15.535 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.132 10.320 -16.992 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.729 10.902 -16.512 1.00 0.00 H new ATOM 1082 N SER A 71 2.888 8.554 -13.553 1.00 0.00 N ATOM 1083 CA SER A 71 2.811 7.105 -13.129 1.00 0.00 C ATOM 1084 C SER A 71 4.072 6.236 -13.283 1.00 0.00 C ATOM 1085 O SER A 71 4.831 6.366 -14.223 1.00 0.00 O ATOM 1086 CB SER A 71 1.686 6.424 -13.923 1.00 0.00 C ATOM 1087 OG SER A 71 1.823 5.027 -13.651 1.00 0.00 O ATOM 0 H SER A 71 3.067 8.685 -14.549 1.00 0.00 H new ATOM 0 HA SER A 71 2.646 7.164 -12.053 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.708 6.791 -13.612 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.779 6.628 -14.990 1.00 0.00 H new ATOM 0 HG SER A 71 1.675 4.517 -14.475 1.00 0.00 H new ATOM 1093 N THR A 72 4.248 5.367 -12.330 1.00 0.00 N ATOM 1094 CA THR A 72 5.422 4.413 -12.321 1.00 0.00 C ATOM 1095 C THR A 72 4.881 2.973 -12.511 1.00 0.00 C ATOM 1096 O THR A 72 5.177 2.033 -11.794 1.00 0.00 O ATOM 1097 CB THR A 72 6.191 4.561 -10.965 1.00 0.00 C ATOM 1098 OG1 THR A 72 7.240 3.611 -11.012 1.00 0.00 O ATOM 1099 CG2 THR A 72 5.441 4.101 -9.738 1.00 0.00 C ATOM 0 H THR A 72 3.620 5.265 -11.533 1.00 0.00 H new ATOM 0 HA THR A 72 6.117 4.637 -13.130 1.00 0.00 H new ATOM 0 HB THR A 72 6.435 5.620 -10.879 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.868 2.721 -11.187 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.063 4.247 -8.855 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.523 4.679 -9.635 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.195 3.044 -9.837 1.00 0.00 H new ATOM 1107 N SER A 73 4.066 2.826 -13.525 1.00 0.00 N ATOM 1108 CA SER A 73 3.423 1.486 -13.877 1.00 0.00 C ATOM 1109 C SER A 73 4.437 0.330 -13.753 1.00 0.00 C ATOM 1110 O SER A 73 5.483 0.332 -14.367 1.00 0.00 O ATOM 1111 CB SER A 73 2.861 1.567 -15.323 1.00 0.00 C ATOM 1112 OG SER A 73 4.013 1.753 -16.144 1.00 0.00 O ATOM 0 H SER A 73 3.802 3.588 -14.149 1.00 0.00 H new ATOM 0 HA SER A 73 2.613 1.282 -13.176 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.325 0.657 -15.592 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.159 2.394 -15.430 1.00 0.00 H new ATOM 0 HG SER A 73 4.781 1.300 -15.738 1.00 0.00 H new ATOM 1118 N THR A 74 4.089 -0.641 -12.953 1.00 0.00 N ATOM 1119 CA THR A 74 4.991 -1.837 -12.717 1.00 0.00 C ATOM 1120 C THR A 74 4.272 -3.185 -12.823 1.00 0.00 C ATOM 1121 O THR A 74 3.078 -3.257 -12.599 1.00 0.00 O ATOM 1122 CB THR A 74 5.618 -1.684 -11.323 1.00 0.00 C ATOM 1123 OG1 THR A 74 6.476 -0.572 -11.478 1.00 0.00 O ATOM 1124 CG2 THR A 74 6.668 -2.730 -11.025 1.00 0.00 C ATOM 0 H THR A 74 3.208 -0.669 -12.440 1.00 0.00 H new ATOM 0 HA THR A 74 5.746 -1.846 -13.503 1.00 0.00 H new ATOM 0 HB THR A 74 4.815 -1.680 -10.586 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.943 0.250 -11.513 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.071 -2.566 -10.026 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.219 -3.722 -11.077 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.472 -2.657 -11.757 1.00 0.00 H new ATOM 1132 N THR A 75 4.980 -4.229 -13.163 1.00 0.00 N ATOM 1133 CA THR A 75 4.309 -5.584 -13.281 1.00 0.00 C ATOM 1134 C THR A 75 4.748 -6.676 -12.291 1.00 0.00 C ATOM 1135 O THR A 75 5.761 -6.557 -11.628 1.00 0.00 O ATOM 1136 CB THR A 75 4.508 -6.086 -14.737 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.521 -7.087 -14.826 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.716 -6.958 -14.977 1.00 0.00 C ATOM 0 H THR A 75 5.980 -4.217 -13.364 1.00 0.00 H new ATOM 0 HA THR A 75 3.265 -5.413 -13.018 1.00 0.00 H new ATOM 0 HB THR A 75 4.534 -5.211 -15.386 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.745 -6.739 -15.314 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.752 -7.248 -16.027 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.620 -6.405 -14.722 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.649 -7.851 -14.356 1.00 0.00 H new ATOM 1146 N PHE A 76 3.963 -7.713 -12.241 1.00 0.00 N ATOM 1147 CA PHE A 76 4.205 -8.895 -11.336 1.00 0.00 C ATOM 1148 C PHE A 76 4.504 -10.207 -12.127 1.00 0.00 C ATOM 1149 O PHE A 76 3.744 -11.154 -12.083 1.00 0.00 O ATOM 1150 CB PHE A 76 2.935 -8.980 -10.462 1.00 0.00 C ATOM 1151 CG PHE A 76 2.927 -7.721 -9.591 1.00 0.00 C ATOM 1152 CD1 PHE A 76 3.554 -7.711 -8.363 1.00 0.00 C ATOM 1153 CD2 PHE A 76 2.313 -6.575 -10.043 1.00 0.00 C ATOM 1154 CE1 PHE A 76 3.569 -6.565 -7.594 1.00 0.00 C ATOM 1155 CE2 PHE A 76 2.325 -5.429 -9.280 1.00 0.00 C ATOM 1156 CZ PHE A 76 2.953 -5.425 -8.056 1.00 0.00 C ATOM 0 H PHE A 76 3.123 -7.803 -12.813 1.00 0.00 H new ATOM 0 HA PHE A 76 5.099 -8.769 -10.725 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.039 -9.030 -11.081 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.947 -9.879 -9.846 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.037 -8.606 -8.000 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.818 -6.575 -11.003 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.062 -6.563 -6.633 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.842 -4.534 -9.642 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.962 -4.526 -7.457 1.00 0.00 H new ATOM 1166 N PRO A 77 5.622 -10.188 -12.818 1.00 0.00 N ATOM 1167 CA PRO A 77 5.846 -10.979 -14.070 1.00 0.00 C ATOM 1168 C PRO A 77 5.134 -12.338 -14.305 1.00 0.00 C ATOM 1169 O PRO A 77 4.202 -12.421 -15.080 1.00 0.00 O ATOM 1170 CB PRO A 77 7.418 -11.059 -14.132 1.00 0.00 C ATOM 1171 CG PRO A 77 7.948 -10.323 -12.855 1.00 0.00 C ATOM 1172 CD PRO A 77 6.826 -9.403 -12.421 1.00 0.00 C ATOM 0 HA PRO A 77 5.348 -10.470 -14.895 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.754 -12.096 -14.150 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.796 -10.586 -15.038 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.198 -11.034 -12.068 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.854 -9.759 -13.075 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.850 -9.205 -11.349 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.870 -8.438 -12.925 1.00 0.00 H new ATOM 1180 N ALA A 78 5.586 -13.364 -13.655 1.00 0.00 N ATOM 1181 CA ALA A 78 4.969 -14.736 -13.810 1.00 0.00 C ATOM 1182 C ALA A 78 4.913 -15.475 -12.452 1.00 0.00 C ATOM 1183 O ALA A 78 4.027 -16.239 -12.131 1.00 0.00 O ATOM 1184 CB ALA A 78 5.830 -15.477 -14.861 1.00 0.00 C ATOM 0 H ALA A 78 6.372 -13.326 -13.006 1.00 0.00 H new ATOM 0 HA ALA A 78 3.934 -14.681 -14.146 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.431 -16.480 -15.017 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.808 -14.928 -15.802 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.858 -15.546 -14.506 1.00 0.00 H new ATOM 1190 N ASP A 79 5.944 -15.170 -11.740 1.00 0.00 N ATOM 1191 CA ASP A 79 6.262 -15.668 -10.369 1.00 0.00 C ATOM 1192 C ASP A 79 5.104 -15.459 -9.339 1.00 0.00 C ATOM 1193 O ASP A 79 4.545 -16.409 -8.828 1.00 0.00 O ATOM 1194 CB ASP A 79 7.610 -14.914 -10.059 1.00 0.00 C ATOM 1195 CG ASP A 79 7.486 -13.446 -10.412 1.00 0.00 C ATOM 1196 OD1 ASP A 79 7.738 -13.185 -11.572 1.00 0.00 O ATOM 1197 OD2 ASP A 79 7.137 -12.688 -9.533 1.00 0.00 O ATOM 0 H ASP A 79 6.656 -14.528 -12.087 1.00 0.00 H new ATOM 0 HA ASP A 79 6.374 -16.750 -10.297 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.860 -15.021 -9.003 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.425 -15.364 -10.627 1.00 0.00 H new ATOM 1202 N ALA A 80 4.818 -14.212 -9.081 1.00 0.00 N ATOM 1203 CA ALA A 80 3.748 -13.729 -8.136 1.00 0.00 C ATOM 1204 C ALA A 80 2.751 -14.795 -7.518 1.00 0.00 C ATOM 1205 O ALA A 80 1.581 -14.840 -7.857 1.00 0.00 O ATOM 1206 CB ALA A 80 3.037 -12.619 -8.955 1.00 0.00 C ATOM 0 H ALA A 80 5.323 -13.443 -9.522 1.00 0.00 H new ATOM 0 HA ALA A 80 4.206 -13.391 -7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.230 -12.190 -8.362 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.754 -11.839 -9.210 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.627 -13.048 -9.869 1.00 0.00 H new ATOM 1212 N PRO A 81 3.239 -15.619 -6.614 1.00 0.00 N ATOM 1213 CA PRO A 81 2.552 -16.882 -6.175 1.00 0.00 C ATOM 1214 C PRO A 81 1.373 -16.674 -5.173 1.00 0.00 C ATOM 1215 O PRO A 81 1.367 -17.210 -4.080 1.00 0.00 O ATOM 1216 CB PRO A 81 3.731 -17.685 -5.621 1.00 0.00 C ATOM 1217 CG PRO A 81 4.519 -16.567 -4.879 1.00 0.00 C ATOM 1218 CD PRO A 81 4.542 -15.419 -5.911 1.00 0.00 C ATOM 0 HA PRO A 81 2.019 -17.389 -6.979 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.410 -18.481 -4.949 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.320 -18.153 -6.410 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.024 -16.269 -3.955 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.525 -16.891 -4.612 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.604 -14.441 -5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.390 -15.497 -6.591 1.00 0.00 H new ATOM 1226 N ALA A 82 0.413 -15.899 -5.603 1.00 0.00 N ATOM 1227 CA ALA A 82 -0.815 -15.562 -4.794 1.00 0.00 C ATOM 1228 C ALA A 82 -0.456 -14.749 -3.515 1.00 0.00 C ATOM 1229 O ALA A 82 0.698 -14.551 -3.192 1.00 0.00 O ATOM 1230 CB ALA A 82 -1.535 -16.899 -4.434 1.00 0.00 C ATOM 0 H ALA A 82 0.424 -15.462 -6.525 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.479 -14.927 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.428 -16.685 -3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.818 -17.418 -5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.862 -17.530 -3.853 1.00 0.00 H new ATOM 1236 N GLY A 83 -1.434 -14.271 -2.816 1.00 0.00 N ATOM 1237 CA GLY A 83 -1.183 -13.474 -1.562 1.00 0.00 C ATOM 1238 C GLY A 83 -1.518 -12.000 -1.770 1.00 0.00 C ATOM 1239 O GLY A 83 -1.343 -11.441 -2.841 1.00 0.00 O ATOM 0 H GLY A 83 -2.419 -14.392 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.785 -13.875 -0.746 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.139 -13.574 -1.267 1.00 0.00 H new ATOM 1243 N GLU A 84 -1.976 -11.393 -0.720 1.00 0.00 N ATOM 1244 CA GLU A 84 -2.337 -9.950 -0.807 1.00 0.00 C ATOM 1245 C GLU A 84 -1.211 -9.022 -0.290 1.00 0.00 C ATOM 1246 O GLU A 84 -1.276 -8.498 0.803 1.00 0.00 O ATOM 1247 CB GLU A 84 -3.662 -9.782 -0.013 1.00 0.00 C ATOM 1248 CG GLU A 84 -4.358 -8.513 -0.601 1.00 0.00 C ATOM 1249 CD GLU A 84 -5.607 -8.085 0.113 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -5.476 -7.535 1.185 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -6.642 -8.318 -0.465 1.00 0.00 O ATOM 0 H GLU A 84 -2.117 -11.826 0.193 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.471 -9.650 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.297 -10.661 -0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.466 -9.661 1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.647 -7.687 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.602 -8.703 -1.646 1.00 0.00 H new ATOM 1258 N TYR A 85 -0.212 -8.849 -1.110 1.00 0.00 N ATOM 1259 CA TYR A 85 1.002 -7.983 -0.807 1.00 0.00 C ATOM 1260 C TYR A 85 0.681 -6.459 -0.727 1.00 0.00 C ATOM 1261 O TYR A 85 -0.112 -5.961 -1.506 1.00 0.00 O ATOM 1262 CB TYR A 85 2.095 -8.128 -1.922 1.00 0.00 C ATOM 1263 CG TYR A 85 2.307 -9.531 -2.506 1.00 0.00 C ATOM 1264 CD1 TYR A 85 1.321 -10.148 -3.248 1.00 0.00 C ATOM 1265 CD2 TYR A 85 3.501 -10.200 -2.316 1.00 0.00 C ATOM 1266 CE1 TYR A 85 1.526 -11.398 -3.784 1.00 0.00 C ATOM 1267 CE2 TYR A 85 3.688 -11.457 -2.865 1.00 0.00 C ATOM 1268 CZ TYR A 85 2.702 -12.048 -3.594 1.00 0.00 C ATOM 1269 OH TYR A 85 2.876 -13.286 -4.146 1.00 0.00 O ATOM 0 H TYR A 85 -0.172 -9.289 -2.029 1.00 0.00 H new ATOM 0 HA TYR A 85 1.348 -8.340 0.163 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.837 -7.455 -2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.045 -7.783 -1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.379 -9.645 -3.410 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.290 -9.741 -1.738 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.743 -11.867 -4.362 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.624 -11.973 -2.714 1.00 0.00 H new ATOM 0 HH TYR A 85 2.084 -13.837 -3.971 1.00 0.00 H new ATOM 1279 N THR A 86 1.281 -5.722 0.167 1.00 0.00 N ATOM 1280 CA THR A 86 0.965 -4.237 0.231 1.00 0.00 C ATOM 1281 C THR A 86 2.033 -3.254 -0.288 1.00 0.00 C ATOM 1282 O THR A 86 3.227 -3.458 -0.192 1.00 0.00 O ATOM 1283 CB THR A 86 0.615 -3.889 1.724 1.00 0.00 C ATOM 1284 OG1 THR A 86 -0.789 -3.702 1.727 1.00 0.00 O ATOM 1285 CG2 THR A 86 1.038 -2.514 2.197 1.00 0.00 C ATOM 0 H THR A 86 1.962 -6.058 0.847 1.00 0.00 H new ATOM 0 HA THR A 86 0.138 -4.093 -0.465 1.00 0.00 H new ATOM 0 HB THR A 86 1.080 -4.668 2.328 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.019 -2.940 1.155 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.747 -2.382 3.239 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.120 -2.415 2.107 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.552 -1.754 1.586 1.00 0.00 H new ATOM 1293 N PHE A 87 1.553 -2.166 -0.831 1.00 0.00 N ATOM 1294 CA PHE A 87 2.442 -1.101 -1.381 1.00 0.00 C ATOM 1295 C PHE A 87 2.554 -0.180 -0.159 1.00 0.00 C ATOM 1296 O PHE A 87 1.572 0.341 0.332 1.00 0.00 O ATOM 1297 CB PHE A 87 1.785 -0.288 -2.543 1.00 0.00 C ATOM 1298 CG PHE A 87 0.879 -1.122 -3.442 1.00 0.00 C ATOM 1299 CD1 PHE A 87 1.339 -2.219 -4.121 1.00 0.00 C ATOM 1300 CD2 PHE A 87 -0.439 -0.761 -3.570 1.00 0.00 C ATOM 1301 CE1 PHE A 87 0.486 -2.947 -4.920 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -1.303 -1.477 -4.359 1.00 0.00 C ATOM 1303 CZ PHE A 87 -0.840 -2.572 -5.036 1.00 0.00 C ATOM 0 H PHE A 87 0.556 -1.967 -0.918 1.00 0.00 H new ATOM 0 HA PHE A 87 3.368 -1.500 -1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.205 0.531 -2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.571 0.160 -3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.374 -2.514 -4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.804 0.105 -3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.852 -3.810 -5.456 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.338 -1.180 -4.445 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.510 -3.144 -5.661 1.00 0.00 H new ATOM 1313 N TYR A 88 3.741 0.002 0.297 1.00 0.00 N ATOM 1314 CA TYR A 88 4.009 0.846 1.476 1.00 0.00 C ATOM 1315 C TYR A 88 4.776 2.175 1.158 1.00 0.00 C ATOM 1316 O TYR A 88 5.927 2.143 0.771 1.00 0.00 O ATOM 1317 CB TYR A 88 4.681 -0.245 2.313 1.00 0.00 C ATOM 1318 CG TYR A 88 5.183 0.292 3.595 1.00 0.00 C ATOM 1319 CD1 TYR A 88 6.259 1.110 3.563 1.00 0.00 C ATOM 1320 CD2 TYR A 88 4.587 -0.022 4.775 1.00 0.00 C ATOM 1321 CE1 TYR A 88 6.761 1.633 4.698 1.00 0.00 C ATOM 1322 CE2 TYR A 88 5.094 0.504 5.929 1.00 0.00 C ATOM 1323 CZ TYR A 88 6.188 1.341 5.910 1.00 0.00 C ATOM 1324 OH TYR A 88 6.700 1.884 7.063 1.00 0.00 O ATOM 0 H TYR A 88 4.575 -0.416 -0.115 1.00 0.00 H new ATOM 0 HA TYR A 88 3.177 1.333 1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.969 -1.048 2.507 1.00 0.00 H new ATOM 0 HB3 TYR A 88 5.507 -0.680 1.751 1.00 0.00 H new ATOM 0 HD1 TYR A 88 6.721 1.347 2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.728 -0.676 4.800 1.00 0.00 H new ATOM 0 HE1 TYR A 88 7.620 2.286 4.654 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.629 0.260 6.873 1.00 0.00 H new ATOM 0 HH TYR A 88 7.390 2.542 6.836 1.00 0.00 H new ATOM 1334 N CYS A 89 4.171 3.325 1.320 1.00 0.00 N ATOM 1335 CA CYS A 89 4.898 4.612 0.998 1.00 0.00 C ATOM 1336 C CYS A 89 5.747 5.368 2.066 1.00 0.00 C ATOM 1337 O CYS A 89 5.375 6.451 2.463 1.00 0.00 O ATOM 1338 CB CYS A 89 3.799 5.539 0.418 1.00 0.00 C ATOM 1339 SG CYS A 89 4.345 7.042 -0.432 1.00 0.00 S ATOM 0 H CYS A 89 3.215 3.438 1.657 1.00 0.00 H new ATOM 0 HA CYS A 89 5.713 4.319 0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.199 4.955 -0.280 1.00 0.00 H new ATOM 0 HB3 CYS A 89 3.140 5.834 1.235 1.00 0.00 H new ATOM 0 HG CYS A 89 3.919 8.086 0.215 1.00 0.00 H new ATOM 1344 N GLU A 90 6.847 4.805 2.495 1.00 0.00 N ATOM 1345 CA GLU A 90 7.758 5.457 3.530 1.00 0.00 C ATOM 1346 C GLU A 90 7.675 7.008 3.769 1.00 0.00 C ATOM 1347 O GLU A 90 7.321 7.440 4.849 1.00 0.00 O ATOM 1348 CB GLU A 90 9.239 5.077 3.171 1.00 0.00 C ATOM 1349 CG GLU A 90 9.790 3.937 4.104 1.00 0.00 C ATOM 1350 CD GLU A 90 9.576 4.236 5.577 1.00 0.00 C ATOM 1351 OE1 GLU A 90 10.347 4.979 6.144 1.00 0.00 O ATOM 1352 OE2 GLU A 90 8.621 3.705 6.104 1.00 0.00 O ATOM 0 H GLU A 90 7.175 3.895 2.171 1.00 0.00 H new ATOM 0 HA GLU A 90 7.391 5.059 4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.290 4.753 2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.873 5.959 3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.299 2.997 3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.855 3.801 3.915 1.00 0.00 H new ATOM 1359 N PRO A 91 7.989 7.830 2.787 1.00 0.00 N ATOM 1360 CA PRO A 91 7.886 9.328 2.920 1.00 0.00 C ATOM 1361 C PRO A 91 6.555 9.820 3.540 1.00 0.00 C ATOM 1362 O PRO A 91 6.436 10.900 4.080 1.00 0.00 O ATOM 1363 CB PRO A 91 8.136 9.818 1.477 1.00 0.00 C ATOM 1364 CG PRO A 91 7.806 8.567 0.622 1.00 0.00 C ATOM 1365 CD PRO A 91 8.446 7.432 1.429 1.00 0.00 C ATOM 0 HA PRO A 91 8.604 9.737 3.630 1.00 0.00 H new ATOM 0 HB2 PRO A 91 7.496 10.662 1.221 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.166 10.144 1.334 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.731 8.427 0.507 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.227 8.639 -0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.083 6.448 1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.532 7.411 1.339 1.00 0.00 H new ATOM 1373 N HIS A 92 5.579 8.975 3.417 1.00 0.00 N ATOM 1374 CA HIS A 92 4.191 9.207 3.923 1.00 0.00 C ATOM 1375 C HIS A 92 3.788 8.117 4.976 1.00 0.00 C ATOM 1376 O HIS A 92 2.651 7.696 5.099 1.00 0.00 O ATOM 1377 CB HIS A 92 3.317 9.201 2.650 1.00 0.00 C ATOM 1378 CG HIS A 92 3.812 10.269 1.652 1.00 0.00 C ATOM 1379 ND1 HIS A 92 3.725 10.098 0.343 1.00 0.00 N ATOM 1380 CD2 HIS A 92 4.379 11.506 1.912 1.00 0.00 C ATOM 1381 CE1 HIS A 92 4.225 11.197 -0.186 1.00 0.00 C ATOM 1382 NE2 HIS A 92 4.602 12.008 0.738 1.00 0.00 N ATOM 0 H HIS A 92 5.691 8.072 2.956 1.00 0.00 H new ATOM 0 HA HIS A 92 4.075 10.146 4.463 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.349 8.216 2.184 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.277 9.395 2.914 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.588 11.951 2.874 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.307 11.389 -1.246 1.00 0.00 H new ATOM 0 HE2 HIS A 92 5.020 12.923 0.570 1.00 0.00 H new ATOM 1390 N ARG A 93 4.765 7.688 5.727 1.00 0.00 N ATOM 1391 CA ARG A 93 4.574 6.649 6.797 1.00 0.00 C ATOM 1392 C ARG A 93 4.185 7.352 8.125 1.00 0.00 C ATOM 1393 O ARG A 93 4.887 8.165 8.687 1.00 0.00 O ATOM 1394 CB ARG A 93 5.906 5.872 6.889 1.00 0.00 C ATOM 1395 CG ARG A 93 6.023 5.049 8.207 1.00 0.00 C ATOM 1396 CD ARG A 93 7.149 5.687 9.018 1.00 0.00 C ATOM 1397 NE ARG A 93 8.391 5.355 8.231 1.00 0.00 N ATOM 1398 CZ ARG A 93 9.428 4.845 8.716 1.00 0.00 C ATOM 1399 NH1 ARG A 93 10.217 5.612 9.297 1.00 0.00 N ATOM 1400 NH2 ARG A 93 9.576 3.618 8.566 1.00 0.00 N ATOM 0 H ARG A 93 5.725 8.024 5.644 1.00 0.00 H new ATOM 0 HA ARG A 93 3.768 5.950 6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.991 5.200 6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.738 6.574 6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.085 5.070 8.762 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.243 4.003 7.993 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.012 6.764 9.114 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.195 5.280 10.028 1.00 0.00 H new ATOM 0 HE ARG A 93 8.387 5.560 7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.006 6.608 9.362 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.075 5.245 9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.870 3.076 8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.403 3.154 8.942 1.00 0.00 H new ATOM 1414 N GLY A 94 3.024 6.982 8.582 1.00 0.00 N ATOM 1415 CA GLY A 94 2.413 7.535 9.854 1.00 0.00 C ATOM 1416 C GLY A 94 1.055 8.059 9.403 1.00 0.00 C ATOM 1417 O GLY A 94 0.021 7.780 9.969 1.00 0.00 O ATOM 0 H GLY A 94 2.438 6.290 8.116 1.00 0.00 H new ATOM 0 HA2 GLY A 94 2.311 6.764 10.618 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.027 8.328 10.281 1.00 0.00 H new ATOM 1421 N ALA A 95 1.112 8.809 8.340 1.00 0.00 N ATOM 1422 CA ALA A 95 -0.112 9.417 7.725 1.00 0.00 C ATOM 1423 C ALA A 95 -0.627 8.365 6.685 1.00 0.00 C ATOM 1424 O ALA A 95 -0.719 8.586 5.497 1.00 0.00 O ATOM 1425 CB ALA A 95 0.350 10.749 7.091 1.00 0.00 C ATOM 0 H ALA A 95 1.980 9.035 7.854 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.927 9.640 8.413 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.501 11.244 6.623 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.766 11.395 7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.112 10.548 6.338 1.00 0.00 H new ATOM 1431 N GLY A 96 -0.934 7.233 7.265 1.00 0.00 N ATOM 1432 CA GLY A 96 -1.459 5.974 6.597 1.00 0.00 C ATOM 1433 C GLY A 96 -1.385 5.769 5.080 1.00 0.00 C ATOM 1434 O GLY A 96 -2.315 5.237 4.508 1.00 0.00 O ATOM 0 H GLY A 96 -0.834 7.113 8.273 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.936 5.134 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.509 5.885 6.876 1.00 0.00 H new ATOM 1438 N MET A 97 -0.315 6.146 4.444 1.00 0.00 N ATOM 1439 CA MET A 97 -0.257 5.935 2.956 1.00 0.00 C ATOM 1440 C MET A 97 0.174 4.498 2.528 1.00 0.00 C ATOM 1441 O MET A 97 1.254 4.211 2.033 1.00 0.00 O ATOM 1442 CB MET A 97 0.688 7.018 2.408 1.00 0.00 C ATOM 1443 CG MET A 97 0.610 6.956 0.869 1.00 0.00 C ATOM 1444 SD MET A 97 1.134 8.434 -0.024 1.00 0.00 S ATOM 1445 CE MET A 97 -0.196 8.487 -1.254 1.00 0.00 C ATOM 0 H MET A 97 0.506 6.580 4.866 1.00 0.00 H new ATOM 0 HA MET A 97 -1.258 6.025 2.534 1.00 0.00 H new ATOM 0 HB2 MET A 97 0.394 8.004 2.769 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.709 6.846 2.749 1.00 0.00 H new ATOM 0 HG2 MET A 97 1.220 6.118 0.530 1.00 0.00 H new ATOM 0 HG3 MET A 97 -0.420 6.735 0.588 1.00 0.00 H new ATOM 0 HE1 MET A 97 -0.508 9.520 -1.408 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.163 8.071 -2.196 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.044 7.901 -0.899 1.00 0.00 H new ATOM 1455 N VAL A 98 -0.759 3.629 2.780 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.615 2.169 2.462 1.00 0.00 C ATOM 1457 C VAL A 98 -1.647 1.677 1.399 1.00 0.00 C ATOM 1458 O VAL A 98 -2.819 1.993 1.471 1.00 0.00 O ATOM 1459 CB VAL A 98 -0.784 1.409 3.803 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -0.526 -0.083 3.594 1.00 0.00 C ATOM 1461 CG2 VAL A 98 0.264 1.896 4.825 1.00 0.00 C ATOM 0 H VAL A 98 -1.652 3.872 3.209 1.00 0.00 H new ATOM 0 HA VAL A 98 0.361 1.980 2.016 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.797 1.589 4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.647 -0.609 4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.236 -0.477 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.489 -0.228 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.136 1.356 5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.265 1.713 4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.132 2.964 5.001 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.189 0.923 0.438 1.00 0.00 N ATOM 1472 CA GLY A 99 -2.080 0.366 -0.663 1.00 0.00 C ATOM 1473 C GLY A 99 -1.972 -1.151 -0.750 1.00 0.00 C ATOM 1474 O GLY A 99 -1.092 -1.729 -0.148 1.00 0.00 O ATOM 0 H GLY A 99 -0.209 0.653 0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.116 0.648 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.799 0.808 -1.619 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.837 -1.804 -1.471 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.740 -3.303 -1.556 1.00 0.00 C ATOM 1480 C LYS A 100 -3.044 -4.089 -2.879 1.00 0.00 C ATOM 1481 O LYS A 100 -3.972 -3.766 -3.586 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.652 -3.738 -0.382 1.00 0.00 C ATOM 1483 CG LYS A 100 -3.726 -5.252 -0.264 1.00 0.00 C ATOM 1484 CD LYS A 100 -2.343 -5.745 0.217 1.00 0.00 C ATOM 1485 CE LYS A 100 -2.316 -5.961 1.706 1.00 0.00 C ATOM 1486 NZ LYS A 100 -3.047 -7.234 1.922 1.00 0.00 N ATOM 0 H LYS A 100 -3.599 -1.381 -2.001 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.684 -3.570 -1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.273 -3.318 0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.654 -3.334 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.504 -5.545 0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.981 -5.700 -1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.092 -6.676 -0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.581 -5.016 -0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.293 -6.025 2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.795 -5.136 2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.234 -7.359 2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.949 -7.209 1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.471 -8.028 1.576 1.00 0.00 H new ATOM 1500 N ILE A 101 -2.259 -5.095 -3.174 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.434 -5.963 -4.396 1.00 0.00 C ATOM 1502 C ILE A 101 -2.805 -7.404 -3.919 1.00 0.00 C ATOM 1503 O ILE A 101 -2.175 -7.932 -3.024 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.085 -6.068 -5.257 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -1.468 -6.080 -6.775 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.275 -7.380 -5.002 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.300 -6.621 -7.690 1.00 0.00 C ATOM 0 H ILE A 101 -1.465 -5.367 -2.594 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.210 -5.518 -5.019 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.468 -5.218 -4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.354 -6.699 -6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.732 -5.070 -7.088 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.623 -7.379 -5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.007 -7.435 -3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.890 -8.243 -5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.619 -6.608 -8.732 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.579 -5.987 -7.571 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.053 -7.642 -7.399 1.00 0.00 H new ATOM 1519 N THR A 102 -3.797 -7.992 -4.505 1.00 0.00 N ATOM 1520 CA THR A 102 -4.257 -9.401 -4.153 1.00 0.00 C ATOM 1521 C THR A 102 -3.899 -10.214 -5.399 1.00 0.00 C ATOM 1522 O THR A 102 -4.478 -9.914 -6.429 1.00 0.00 O ATOM 1523 CB THR A 102 -5.793 -9.508 -3.978 1.00 0.00 C ATOM 1524 OG1 THR A 102 -6.275 -8.369 -3.274 1.00 0.00 O ATOM 1525 CG2 THR A 102 -6.187 -10.629 -3.043 1.00 0.00 C ATOM 0 H THR A 102 -4.345 -7.556 -5.246 1.00 0.00 H new ATOM 0 HA THR A 102 -3.801 -9.726 -3.218 1.00 0.00 H new ATOM 0 HB THR A 102 -6.188 -9.637 -4.986 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.071 -8.018 -3.726 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.273 -10.663 -2.953 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.826 -11.578 -3.440 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.747 -10.455 -2.061 1.00 0.00 H new ATOM 1533 N VAL A 103 -3.025 -11.188 -5.403 1.00 0.00 N ATOM 1534 CA VAL A 103 -2.783 -11.888 -6.724 1.00 0.00 C ATOM 1535 C VAL A 103 -3.666 -13.152 -6.858 1.00 0.00 C ATOM 1536 O VAL A 103 -3.221 -14.270 -7.044 1.00 0.00 O ATOM 1537 CB VAL A 103 -1.253 -12.175 -6.770 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -0.837 -12.594 -8.174 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -0.466 -10.910 -6.379 1.00 0.00 C ATOM 0 H VAL A 103 -2.489 -11.523 -4.602 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.069 -11.278 -7.581 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.035 -12.979 -6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.235 -12.792 -8.192 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.377 -13.497 -8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.070 -11.794 -8.877 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.603 -11.121 -6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.700 -10.106 -7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.743 -10.607 -5.369 1.00 0.00 H new ATOM 1549 N ALA A 104 -4.934 -12.835 -6.753 1.00 0.00 N ATOM 1550 CA ALA A 104 -6.145 -13.746 -6.813 1.00 0.00 C ATOM 1551 C ALA A 104 -6.600 -13.898 -5.337 1.00 0.00 C ATOM 1552 O ALA A 104 -7.754 -13.764 -4.981 1.00 0.00 O ATOM 1553 CB ALA A 104 -5.765 -15.136 -7.414 1.00 0.00 C ATOM 0 H ALA A 104 -5.212 -11.864 -6.611 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.931 -13.339 -7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.649 -15.772 -7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.377 -15.002 -8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.003 -15.606 -6.792 1.00 0.00 H new ATOM 1559 N GLY A 105 -5.583 -14.180 -4.582 1.00 0.00 N ATOM 1560 CA GLY A 105 -5.582 -14.397 -3.098 1.00 0.00 C ATOM 1561 C GLY A 105 -4.375 -13.616 -2.547 1.00 0.00 C ATOM 1562 O GLY A 105 -3.735 -12.938 -3.337 1.00 0.00 O ATOM 1563 OXT GLY A 105 -4.144 -13.736 -1.361 1.00 0.00 O ATOM 0 H GLY A 105 -4.648 -14.280 -4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.511 -14.041 -2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.500 -15.458 -2.860 1.00 0.00 H new