USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 669 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 58 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 59 THR OG1 : rot 180:sc= -0.0467 USER MOD Set 2.1: A 45 SER OG : rot -73:sc= 1.23 USER MOD Set 2.2: A 57 CYS SG : rot 48:sc= 0.875 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0324 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= 0.576 K(o=0.58,f=-2!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 6 HIS : no HD1:sc= -0.723 K(o=-0.72,f=-0.0038) USER MOD Single : A 7 HIS : no HE2:sc= 0.368 K(o=0.37,f=-1.4) USER MOD Single : A 13 ASN : amide:sc=-0.00221 K(o=-0.0022,f=-1.9!) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 79:sc= 1 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 148:sc= -0.751 (180deg=-2.24!) USER MOD Single : A 24 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.01) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00514) USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= 0.0137 (180deg=0) USER MOD Single : A 35 SER OG : rot 94:sc= 1.24 USER MOD Single : A 36 GLN : amide:sc= -0.771 K(o=-0.77,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.32) USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0354) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 162:sc= -0.175 (180deg=-0.787) USER MOD Single : A 47 GLN : amide:sc= -2.57 X(o=-2.6,f=-2.7) USER MOD Single : A 48 CYS SG : rot -161:sc= -4.89! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 168:sc= -0.0422 (180deg=-0.268) USER MOD Single : A 53 GLN : amide:sc= -2.01 K(o=-2,f=-0.11) USER MOD Single : A 54 THR OG1 : rot 53:sc= 1.23 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0.765 (180deg=0.64) USER MOD Single : A 64 CYS SG : rot 96:sc= -2.52! USER MOD Single : A 67 HIS : no HD1:sc= -1.29! C(o=-1.3!,f=-6.2!) USER MOD Single : A 71 LYS NZ :NH3+ -144:sc= 0.261 (180deg=-0.54) USER MOD Single : A 72 HIS : no HE2:sc= -0.636 X(o=-0.64,f=-0.94) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 143:sc= 0.326 USER MOD Single : A 83 HIS : no HE2:sc= 0.0307 X(o=0.031,f=-0.2) USER MOD Single : A 85 LYS NZ :NH3+ -110:sc= 1.98 (180deg=0.951) USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= -0.059 (180deg=-0.311) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 40.706 -7.725 -0.217 1.00 19.14 N ATOM 2 CA GLY A 1 40.211 -7.034 -1.404 1.00 18.53 C ATOM 3 C GLY A 1 40.498 -5.552 -1.352 1.00 18.04 C ATOM 4 O GLY A 1 41.501 -5.131 -0.776 1.00 17.99 O ATOM 0 H1 GLY A 1 41.254 -8.561 -0.505 1.00 19.14 H new ATOM 0 H2 GLY A 1 41.315 -7.083 0.329 1.00 19.14 H new ATOM 0 H3 GLY A 1 39.902 -8.024 0.371 1.00 19.14 H new ATOM 0 HA2 GLY A 1 40.673 -7.463 -2.293 1.00 18.53 H new ATOM 0 HA3 GLY A 1 39.137 -7.193 -1.495 1.00 18.53 H new ATOM 10 N HIS A 2 39.583 -4.762 -1.904 1.00 17.81 N ATOM 11 CA HIS A 2 39.710 -3.293 -2.014 1.00 17.49 C ATOM 12 C HIS A 2 39.706 -2.595 -0.647 1.00 16.98 C ATOM 13 O HIS A 2 40.273 -1.521 -0.510 1.00 17.17 O ATOM 14 CB HIS A 2 38.540 -2.734 -2.870 1.00 17.97 C ATOM 15 CG HIS A 2 38.522 -1.224 -3.011 1.00 18.64 C ATOM 16 ND1 HIS A 2 37.823 -0.393 -2.155 1.00 19.07 N ATOM 17 CD2 HIS A 2 39.113 -0.409 -3.915 1.00 19.08 C ATOM 18 CE1 HIS A 2 37.984 0.855 -2.522 1.00 19.72 C ATOM 19 NE2 HIS A 2 38.766 0.877 -3.587 1.00 19.74 N ATOM 0 H HIS A 2 38.713 -5.120 -2.298 1.00 17.81 H new ATOM 0 HA HIS A 2 40.671 -3.089 -2.487 1.00 17.49 H new ATOM 0 HB2 HIS A 2 38.591 -3.177 -3.864 1.00 17.97 H new ATOM 0 HB3 HIS A 2 37.598 -3.055 -2.426 1.00 17.97 H new ATOM 0 HD1 HIS A 2 37.267 -0.704 -1.359 1.00 19.07 H new ATOM 0 HD2 HIS A 2 39.740 -0.714 -4.740 1.00 19.08 H new ATOM 0 HE1 HIS A 2 37.552 1.718 -2.037 1.00 19.72 H new ATOM 28 N HIS A 3 39.086 -3.238 0.343 1.00 16.46 N ATOM 29 CA HIS A 3 38.812 -2.669 1.693 1.00 16.07 C ATOM 30 C HIS A 3 37.563 -1.780 1.613 1.00 15.28 C ATOM 31 O HIS A 3 37.289 -1.172 0.569 1.00 15.31 O ATOM 32 CB HIS A 3 40.007 -1.864 2.327 1.00 16.31 C ATOM 33 CG HIS A 3 41.286 -2.626 2.559 1.00 16.79 C ATOM 34 ND1 HIS A 3 41.754 -2.960 3.814 1.00 17.14 N ATOM 35 CD2 HIS A 3 42.230 -3.062 1.686 1.00 17.13 C ATOM 36 CE1 HIS A 3 42.926 -3.563 3.703 1.00 17.67 C ATOM 37 NE2 HIS A 3 43.236 -3.642 2.425 1.00 17.67 N ATOM 0 H HIS A 3 38.746 -4.194 0.241 1.00 16.46 H new ATOM 0 HA HIS A 3 38.657 -3.518 2.358 1.00 16.07 H new ATOM 0 HB2 HIS A 3 40.228 -1.016 1.679 1.00 16.31 H new ATOM 0 HB3 HIS A 3 39.675 -1.457 3.282 1.00 16.31 H new ATOM 0 HD2 HIS A 3 42.198 -2.971 0.610 1.00 17.13 H new ATOM 0 HE1 HIS A 3 43.527 -3.929 4.522 1.00 17.67 H new ATOM 0 HE2 HIS A 3 44.083 -4.064 2.045 1.00 17.67 H new ATOM 46 N HIS A 4 36.791 -1.745 2.678 1.00 14.74 N ATOM 47 CA HIS A 4 35.594 -0.913 2.759 1.00 14.10 C ATOM 48 C HIS A 4 35.225 -0.691 4.209 1.00 13.70 C ATOM 49 O HIS A 4 35.426 -1.571 5.030 1.00 14.01 O ATOM 50 CB HIS A 4 34.393 -1.495 1.945 1.00 13.88 C ATOM 51 CG HIS A 4 33.972 -2.916 2.276 1.00 13.85 C ATOM 52 ND1 HIS A 4 34.115 -3.964 1.392 1.00 14.10 N ATOM 53 CD2 HIS A 4 33.394 -3.446 3.377 1.00 13.80 C ATOM 54 CE1 HIS A 4 33.648 -5.062 1.940 1.00 14.18 C ATOM 55 NE2 HIS A 4 33.208 -4.775 3.132 1.00 14.00 N ATOM 0 H HIS A 4 36.971 -2.293 3.519 1.00 14.74 H new ATOM 0 HA HIS A 4 35.826 0.047 2.298 1.00 14.10 H new ATOM 0 HB2 HIS A 4 33.533 -0.842 2.093 1.00 13.88 H new ATOM 0 HB3 HIS A 4 34.647 -1.453 0.886 1.00 13.88 H new ATOM 0 HD2 HIS A 4 33.129 -2.917 4.281 1.00 13.80 H new ATOM 0 HE1 HIS A 4 33.631 -6.039 1.480 1.00 14.18 H new ATOM 0 HE2 HIS A 4 32.789 -5.441 3.781 1.00 14.00 H new ATOM 64 N HIS A 5 34.733 0.479 4.525 1.00 13.18 N ATOM 65 CA HIS A 5 34.340 0.794 5.895 1.00 12.93 C ATOM 66 C HIS A 5 32.840 0.765 6.051 1.00 12.32 C ATOM 67 O HIS A 5 32.340 0.659 7.164 1.00 12.40 O ATOM 68 CB HIS A 5 34.911 2.153 6.364 1.00 13.06 C ATOM 69 CG HIS A 5 36.403 2.163 6.583 1.00 13.43 C ATOM 70 ND1 HIS A 5 36.978 2.319 7.827 1.00 13.64 N ATOM 71 CD2 HIS A 5 37.438 2.056 5.708 1.00 13.81 C ATOM 72 CE1 HIS A 5 38.295 2.297 7.714 1.00 14.12 C ATOM 73 NE2 HIS A 5 38.599 2.136 6.437 1.00 14.24 N ATOM 0 H HIS A 5 34.591 1.238 3.859 1.00 13.18 H new ATOM 0 HA HIS A 5 34.768 0.021 6.534 1.00 12.93 H new ATOM 0 HB2 HIS A 5 34.660 2.913 5.624 1.00 13.06 H new ATOM 0 HB3 HIS A 5 34.418 2.438 7.293 1.00 13.06 H new ATOM 0 HD2 HIS A 5 37.361 1.931 4.638 1.00 13.81 H new ATOM 0 HE1 HIS A 5 39.001 2.394 8.525 1.00 14.12 H new ATOM 0 HE2 HIS A 5 39.543 2.080 6.055 1.00 14.24 H new ATOM 82 N HIS A 6 32.129 0.862 4.904 1.00 11.88 N ATOM 83 CA HIS A 6 30.654 0.851 4.856 1.00 11.42 C ATOM 84 C HIS A 6 30.099 2.204 5.317 1.00 10.42 C ATOM 85 O HIS A 6 30.212 2.571 6.466 1.00 10.22 O ATOM 86 CB HIS A 6 30.075 -0.352 5.656 1.00 11.97 C ATOM 87 CG HIS A 6 28.579 -0.446 5.719 1.00 12.55 C ATOM 88 ND1 HIS A 6 27.816 -1.056 4.744 1.00 12.82 N ATOM 89 CD2 HIS A 6 27.711 -0.033 6.667 1.00 13.11 C ATOM 90 CE1 HIS A 6 26.549 -1.010 5.092 1.00 13.49 C ATOM 91 NE2 HIS A 6 26.458 -0.395 6.256 1.00 13.67 N ATOM 0 H HIS A 6 32.565 0.950 3.986 1.00 11.88 H new ATOM 0 HA HIS A 6 30.331 0.709 3.825 1.00 11.42 H new ATOM 0 HB2 HIS A 6 30.458 -1.273 5.216 1.00 11.97 H new ATOM 0 HB3 HIS A 6 30.459 -0.302 6.675 1.00 11.97 H new ATOM 0 HD2 HIS A 6 27.960 0.487 7.580 1.00 13.11 H new ATOM 0 HE1 HIS A 6 25.723 -1.408 4.522 1.00 13.49 H new ATOM 0 HE2 HIS A 6 25.593 -0.218 6.767 1.00 13.67 H new ATOM 100 N HIS A 7 29.503 2.934 4.382 1.00 9.98 N ATOM 101 CA HIS A 7 29.047 4.309 4.639 1.00 9.18 C ATOM 102 C HIS A 7 27.925 4.357 5.690 1.00 9.04 C ATOM 103 O HIS A 7 27.951 5.200 6.569 1.00 9.71 O ATOM 104 CB HIS A 7 28.618 4.993 3.325 1.00 9.12 C ATOM 105 CG HIS A 7 28.481 6.493 3.426 1.00 9.44 C ATOM 106 ND1 HIS A 7 27.336 7.189 3.085 1.00 9.56 N ATOM 107 CD2 HIS A 7 29.394 7.431 3.768 1.00 9.92 C ATOM 108 CE1 HIS A 7 27.565 8.479 3.215 1.00 10.08 C ATOM 109 NE2 HIS A 7 28.795 8.648 3.627 1.00 10.30 N ATOM 0 H HIS A 7 29.321 2.603 3.435 1.00 9.98 H new ATOM 0 HA HIS A 7 29.889 4.864 5.053 1.00 9.18 H new ATOM 0 HB2 HIS A 7 29.348 4.757 2.550 1.00 9.12 H new ATOM 0 HB3 HIS A 7 27.665 4.573 3.004 1.00 9.12 H new ATOM 0 HD1 HIS A 7 26.456 6.771 2.782 1.00 9.56 H new ATOM 0 HD2 HIS A 7 30.408 7.250 4.092 1.00 9.92 H new ATOM 0 HE1 HIS A 7 26.855 9.267 3.015 1.00 10.08 H new ATOM 118 N LEU A 8 26.948 3.453 5.568 1.00 8.37 N ATOM 119 CA LEU A 8 25.828 3.300 6.534 1.00 8.37 C ATOM 120 C LEU A 8 24.849 4.474 6.488 1.00 8.86 C ATOM 121 O LEU A 8 23.803 4.386 5.864 1.00 9.23 O ATOM 122 CB LEU A 8 26.336 3.050 7.991 1.00 9.01 C ATOM 123 CG LEU A 8 25.258 2.848 9.066 1.00 9.38 C ATOM 124 CD1 LEU A 8 24.445 1.591 8.784 1.00 9.11 C ATOM 125 CD2 LEU A 8 25.880 2.789 10.451 1.00 10.10 C ATOM 0 H LEU A 8 26.902 2.794 4.791 1.00 8.37 H new ATOM 0 HA LEU A 8 25.280 2.412 6.219 1.00 8.37 H new ATOM 0 HB2 LEU A 8 26.979 2.170 7.982 1.00 9.01 H new ATOM 0 HB3 LEU A 8 26.958 3.895 8.286 1.00 9.01 H new ATOM 0 HG LEU A 8 24.583 3.704 9.035 1.00 9.38 H new ATOM 0 HD11 LEU A 8 23.687 1.467 9.557 1.00 9.11 H new ATOM 0 HD12 LEU A 8 23.960 1.682 7.812 1.00 9.11 H new ATOM 0 HD13 LEU A 8 25.105 0.724 8.780 1.00 9.11 H new ATOM 0 HD21 LEU A 8 25.097 2.645 11.196 1.00 10.10 H new ATOM 0 HD22 LEU A 8 26.583 1.958 10.499 1.00 10.10 H new ATOM 0 HD23 LEU A 8 26.407 3.722 10.653 1.00 10.10 H new ATOM 137 N GLU A 9 25.213 5.567 7.108 1.00 9.12 N ATOM 138 CA GLU A 9 24.358 6.729 7.143 1.00 9.86 C ATOM 139 C GLU A 9 24.696 7.612 5.973 1.00 9.89 C ATOM 140 O GLU A 9 25.871 7.881 5.698 1.00 10.56 O ATOM 141 CB GLU A 9 24.498 7.476 8.460 1.00 10.56 C ATOM 142 CG GLU A 9 23.554 8.673 8.600 1.00 11.13 C ATOM 143 CD GLU A 9 22.087 8.291 8.460 1.00 11.53 C ATOM 144 OE1 GLU A 9 21.567 8.304 7.306 1.00 11.70 O ATOM 145 OE2 GLU A 9 21.440 7.986 9.487 1.00 11.87 O ATOM 0 H GLU A 9 26.100 5.678 7.598 1.00 9.12 H new ATOM 0 HA GLU A 9 23.316 6.416 7.070 1.00 9.86 H new ATOM 0 HB2 GLU A 9 24.313 6.783 9.281 1.00 10.56 H new ATOM 0 HB3 GLU A 9 25.526 7.823 8.561 1.00 10.56 H new ATOM 0 HG2 GLU A 9 23.711 9.141 9.572 1.00 11.13 H new ATOM 0 HG3 GLU A 9 23.804 9.417 7.844 1.00 11.13 H new ATOM 152 N GLY A 10 23.693 8.059 5.296 1.00 9.36 N ATOM 153 CA GLY A 10 23.897 8.809 4.096 1.00 9.60 C ATOM 154 C GLY A 10 23.648 7.921 2.914 1.00 8.87 C ATOM 155 O GLY A 10 24.588 7.467 2.251 1.00 9.04 O ATOM 0 H GLY A 10 22.716 7.919 5.553 1.00 9.36 H new ATOM 0 HA2 GLY A 10 23.225 9.667 4.070 1.00 9.60 H new ATOM 0 HA3 GLY A 10 24.914 9.200 4.065 1.00 9.60 H new ATOM 159 N GLY A 11 22.399 7.653 2.653 1.00 8.30 N ATOM 160 CA GLY A 11 22.036 6.768 1.572 1.00 7.80 C ATOM 161 C GLY A 11 21.600 7.514 0.339 1.00 8.13 C ATOM 162 O GLY A 11 20.494 7.325 -0.146 1.00 8.45 O ATOM 0 H GLY A 11 21.609 8.034 3.174 1.00 8.30 H new ATOM 0 HA2 GLY A 11 22.886 6.132 1.326 1.00 7.80 H new ATOM 0 HA3 GLY A 11 21.230 6.111 1.899 1.00 7.80 H new ATOM 166 N GLY A 12 22.472 8.357 -0.172 1.00 8.34 N ATOM 167 CA GLY A 12 22.157 9.128 -1.370 1.00 8.95 C ATOM 168 C GLY A 12 22.479 8.378 -2.651 1.00 8.79 C ATOM 169 O GLY A 12 22.238 8.885 -3.729 1.00 9.24 O ATOM 0 H GLY A 12 23.400 8.530 0.215 1.00 8.34 H new ATOM 0 HA2 GLY A 12 21.098 9.388 -1.362 1.00 8.95 H new ATOM 0 HA3 GLY A 12 22.715 10.064 -1.352 1.00 8.95 H new ATOM 173 N ASN A 13 23.016 7.153 -2.485 1.00 8.39 N ATOM 174 CA ASN A 13 23.464 6.214 -3.573 1.00 8.53 C ATOM 175 C ASN A 13 24.560 6.856 -4.456 1.00 9.29 C ATOM 176 O ASN A 13 24.991 7.975 -4.190 1.00 9.68 O ATOM 177 CB ASN A 13 22.277 5.612 -4.440 1.00 8.84 C ATOM 178 CG ASN A 13 21.837 6.421 -5.681 1.00 9.25 C ATOM 179 OD1 ASN A 13 22.376 6.221 -6.773 1.00 9.50 O ATOM 180 ND2 ASN A 13 20.859 7.275 -5.542 1.00 9.58 N ATOM 0 H ASN A 13 23.162 6.759 -1.556 1.00 8.39 H new ATOM 0 HA ASN A 13 23.901 5.357 -3.061 1.00 8.53 H new ATOM 0 HB2 ASN A 13 22.570 4.616 -4.771 1.00 8.84 H new ATOM 0 HB3 ASN A 13 21.410 5.490 -3.790 1.00 8.84 H new ATOM 0 HD21 ASN A 13 20.521 7.799 -6.349 1.00 9.58 H new ATOM 0 HD22 ASN A 13 20.434 7.418 -4.626 1.00 9.58 H new ATOM 187 N ALA A 14 25.040 6.137 -5.475 1.00 9.70 N ATOM 188 CA ALA A 14 26.091 6.662 -6.338 1.00 10.58 C ATOM 189 C ALA A 14 26.003 6.080 -7.759 1.00 11.08 C ATOM 190 O ALA A 14 26.935 5.411 -8.230 1.00 11.12 O ATOM 191 CB ALA A 14 27.476 6.410 -5.731 1.00 10.70 C ATOM 0 H ALA A 14 24.719 5.200 -5.717 1.00 9.70 H new ATOM 0 HA ALA A 14 25.942 7.739 -6.414 1.00 10.58 H new ATOM 0 HB1 ALA A 14 28.242 6.811 -6.394 1.00 10.70 H new ATOM 0 HB2 ALA A 14 27.543 6.901 -4.760 1.00 10.70 H new ATOM 0 HB3 ALA A 14 27.629 5.338 -5.606 1.00 10.70 H new ATOM 197 N GLN A 15 24.851 6.278 -8.402 1.00 11.67 N ATOM 198 CA GLN A 15 24.613 5.889 -9.804 1.00 12.40 C ATOM 199 C GLN A 15 24.675 4.372 -10.051 1.00 12.25 C ATOM 200 O GLN A 15 23.660 3.676 -9.959 1.00 12.05 O ATOM 201 CB GLN A 15 25.515 6.681 -10.785 1.00 13.27 C ATOM 202 CG GLN A 15 25.232 8.184 -10.812 1.00 13.75 C ATOM 203 CD GLN A 15 26.228 8.984 -11.651 1.00 14.68 C ATOM 204 OE1 GLN A 15 27.414 8.638 -11.756 1.00 15.07 O ATOM 205 NE2 GLN A 15 25.756 10.046 -12.273 1.00 15.18 N ATOM 0 H GLN A 15 24.043 6.719 -7.963 1.00 11.67 H new ATOM 0 HA GLN A 15 23.580 6.168 -10.012 1.00 12.40 H new ATOM 0 HB2 GLN A 15 26.558 6.523 -10.512 1.00 13.27 H new ATOM 0 HB3 GLN A 15 25.384 6.278 -11.789 1.00 13.27 H new ATOM 0 HG2 GLN A 15 24.228 8.348 -11.203 1.00 13.75 H new ATOM 0 HG3 GLN A 15 25.243 8.565 -9.791 1.00 13.75 H new ATOM 0 HE21 GLN A 15 24.775 10.305 -12.167 1.00 15.18 H new ATOM 0 HE22 GLN A 15 26.372 10.609 -12.860 1.00 15.18 H new ATOM 214 N LYS A 16 25.865 3.851 -10.311 1.00 12.53 N ATOM 215 CA LYS A 16 26.027 2.435 -10.612 1.00 12.66 C ATOM 216 C LYS A 16 26.145 1.619 -9.328 1.00 11.86 C ATOM 217 O LYS A 16 26.571 0.471 -9.340 1.00 12.01 O ATOM 218 CB LYS A 16 27.234 2.211 -11.523 1.00 12.80 C ATOM 219 CG LYS A 16 28.569 2.665 -10.948 1.00 13.55 C ATOM 220 CD LYS A 16 29.663 2.422 -11.964 1.00 14.34 C ATOM 221 CE LYS A 16 31.037 2.826 -11.454 1.00 15.06 C ATOM 222 NZ LYS A 16 32.081 2.598 -12.481 1.00 15.42 N ATOM 0 H LYS A 16 26.733 4.387 -10.320 1.00 12.53 H new ATOM 0 HA LYS A 16 25.139 2.093 -11.143 1.00 12.66 H new ATOM 0 HB2 LYS A 16 27.300 1.149 -11.759 1.00 12.80 H new ATOM 0 HB3 LYS A 16 27.063 2.736 -12.463 1.00 12.80 H new ATOM 0 HG2 LYS A 16 28.525 3.723 -10.690 1.00 13.55 H new ATOM 0 HG3 LYS A 16 28.785 2.122 -10.028 1.00 13.55 H new ATOM 0 HD2 LYS A 16 29.676 1.366 -12.233 1.00 14.34 H new ATOM 0 HD3 LYS A 16 29.439 2.980 -12.873 1.00 14.34 H new ATOM 0 HE2 LYS A 16 31.027 3.878 -11.170 1.00 15.06 H new ATOM 0 HE3 LYS A 16 31.276 2.256 -10.556 1.00 15.06 H new ATOM 0 HZ1 LYS A 16 33.007 2.883 -12.104 1.00 15.42 H new ATOM 0 HZ2 LYS A 16 32.105 1.589 -12.733 1.00 15.42 H new ATOM 0 HZ3 LYS A 16 31.864 3.161 -13.328 1.00 15.42 H new ATOM 236 N SER A 17 25.697 2.200 -8.236 1.00 11.21 N ATOM 237 CA SER A 17 25.679 1.558 -6.947 1.00 10.50 C ATOM 238 C SER A 17 24.442 0.643 -6.836 1.00 10.66 C ATOM 239 O SER A 17 23.898 0.462 -5.750 1.00 10.17 O ATOM 240 CB SER A 17 25.629 2.640 -5.873 1.00 10.42 C ATOM 241 OG SER A 17 24.492 3.476 -6.052 1.00 10.72 O ATOM 0 H SER A 17 25.329 3.151 -8.223 1.00 11.21 H new ATOM 0 HA SER A 17 26.573 0.947 -6.818 1.00 10.50 H new ATOM 0 HB2 SER A 17 25.595 2.178 -4.886 1.00 10.42 H new ATOM 0 HB3 SER A 17 26.538 3.241 -5.913 1.00 10.42 H new ATOM 0 HG SER A 17 23.695 3.023 -5.705 1.00 10.72 H new ATOM 247 N ALA A 18 24.027 0.076 -7.959 1.00 11.52 N ATOM 248 CA ALA A 18 22.874 -0.818 -8.032 1.00 11.99 C ATOM 249 C ALA A 18 22.985 -1.982 -7.025 1.00 11.45 C ATOM 250 O ALA A 18 22.030 -2.312 -6.347 1.00 11.42 O ATOM 251 CB ALA A 18 22.708 -1.351 -9.448 1.00 13.14 C ATOM 0 H ALA A 18 24.485 0.224 -8.858 1.00 11.52 H new ATOM 0 HA ALA A 18 21.990 -0.239 -7.764 1.00 11.99 H new ATOM 0 HB1 ALA A 18 21.845 -2.016 -9.488 1.00 13.14 H new ATOM 0 HB2 ALA A 18 22.556 -0.518 -10.135 1.00 13.14 H new ATOM 0 HB3 ALA A 18 23.603 -1.901 -9.737 1.00 13.14 H new ATOM 257 N MET A 19 24.166 -2.562 -6.908 1.00 11.20 N ATOM 258 CA MET A 19 24.373 -3.677 -5.970 1.00 10.90 C ATOM 259 C MET A 19 24.914 -3.183 -4.639 1.00 9.99 C ATOM 260 O MET A 19 24.898 -3.900 -3.653 1.00 9.63 O ATOM 261 CB MET A 19 25.297 -4.749 -6.558 1.00 11.94 C ATOM 262 CG MET A 19 24.789 -5.416 -7.828 1.00 12.49 C ATOM 263 SD MET A 19 25.930 -6.674 -8.437 1.00 13.40 S ATOM 264 CE MET A 19 25.086 -7.219 -9.920 1.00 14.08 C ATOM 0 H MET A 19 24.994 -2.292 -7.439 1.00 11.20 H new ATOM 0 HA MET A 19 23.398 -4.133 -5.797 1.00 10.90 H new ATOM 0 HB2 MET A 19 26.266 -4.296 -6.767 1.00 11.94 H new ATOM 0 HB3 MET A 19 25.461 -5.518 -5.803 1.00 11.94 H new ATOM 0 HG2 MET A 19 23.818 -5.871 -7.634 1.00 12.49 H new ATOM 0 HG3 MET A 19 24.639 -4.660 -8.599 1.00 12.49 H new ATOM 0 HE1 MET A 19 25.672 -7.998 -10.407 1.00 14.08 H new ATOM 0 HE2 MET A 19 24.105 -7.614 -9.656 1.00 14.08 H new ATOM 0 HE3 MET A 19 24.966 -6.376 -10.601 1.00 14.08 H new ATOM 274 N ALA A 20 25.355 -1.946 -4.613 1.00 9.77 N ATOM 275 CA ALA A 20 25.906 -1.361 -3.399 1.00 9.13 C ATOM 276 C ALA A 20 24.805 -0.712 -2.561 1.00 8.17 C ATOM 277 O ALA A 20 25.016 -0.350 -1.414 1.00 7.84 O ATOM 278 CB ALA A 20 26.995 -0.355 -3.742 1.00 9.45 C ATOM 0 H ALA A 20 25.345 -1.319 -5.418 1.00 9.77 H new ATOM 0 HA ALA A 20 26.352 -2.158 -2.804 1.00 9.13 H new ATOM 0 HB1 ALA A 20 27.397 0.073 -2.824 1.00 9.45 H new ATOM 0 HB2 ALA A 20 27.794 -0.856 -4.289 1.00 9.45 H new ATOM 0 HB3 ALA A 20 26.575 0.439 -4.360 1.00 9.45 H new ATOM 284 N ARG A 21 23.614 -0.582 -3.150 1.00 7.98 N ATOM 285 CA ARG A 21 22.470 0.001 -2.447 1.00 7.29 C ATOM 286 C ARG A 21 21.716 -1.095 -1.694 1.00 7.26 C ATOM 287 O ARG A 21 20.792 -0.820 -0.931 1.00 7.10 O ATOM 288 CB ARG A 21 21.511 0.700 -3.435 1.00 7.43 C ATOM 289 CG ARG A 21 20.814 -0.261 -4.378 1.00 8.11 C ATOM 290 CD ARG A 21 19.846 0.424 -5.332 1.00 8.51 C ATOM 291 NE ARG A 21 20.511 1.292 -6.313 1.00 8.99 N ATOM 292 CZ ARG A 21 19.908 1.730 -7.440 1.00 9.65 C ATOM 293 NH1 ARG A 21 18.633 1.412 -7.676 1.00 9.90 N ATOM 294 NH2 ARG A 21 20.562 2.519 -8.297 1.00 10.29 N ATOM 0 H ARG A 21 23.417 -0.871 -4.108 1.00 7.98 H new ATOM 0 HA ARG A 21 22.843 0.745 -1.743 1.00 7.29 H new ATOM 0 HB2 ARG A 21 20.760 1.253 -2.871 1.00 7.43 H new ATOM 0 HB3 ARG A 21 22.072 1.429 -4.020 1.00 7.43 H new ATOM 0 HG2 ARG A 21 21.565 -0.798 -4.958 1.00 8.11 H new ATOM 0 HG3 ARG A 21 20.272 -1.003 -3.793 1.00 8.11 H new ATOM 0 HD2 ARG A 21 19.270 -0.335 -5.861 1.00 8.51 H new ATOM 0 HD3 ARG A 21 19.137 1.017 -4.755 1.00 8.51 H new ATOM 0 HE ARG A 21 21.474 1.578 -6.135 1.00 8.99 H new ATOM 0 HH11 ARG A 21 18.118 0.840 -7.007 1.00 9.90 H new ATOM 0 HH12 ARG A 21 18.174 1.741 -8.526 1.00 9.90 H new ATOM 0 HH21 ARG A 21 21.524 2.795 -8.103 1.00 10.29 H new ATOM 0 HH22 ARG A 21 20.099 2.845 -9.145 1.00 10.29 H new ATOM 308 N ALA A 22 22.134 -2.342 -1.939 1.00 7.72 N ATOM 309 CA ALA A 22 21.518 -3.526 -1.333 1.00 8.05 C ATOM 310 C ALA A 22 21.551 -3.463 0.190 1.00 7.56 C ATOM 311 O ALA A 22 20.592 -3.846 0.858 1.00 7.73 O ATOM 312 CB ALA A 22 22.208 -4.791 -1.816 1.00 9.15 C ATOM 0 H ALA A 22 22.910 -2.558 -2.564 1.00 7.72 H new ATOM 0 HA ALA A 22 20.474 -3.545 -1.645 1.00 8.05 H new ATOM 0 HB1 ALA A 22 21.738 -5.660 -1.356 1.00 9.15 H new ATOM 0 HB2 ALA A 22 22.120 -4.862 -2.900 1.00 9.15 H new ATOM 0 HB3 ALA A 22 23.262 -4.759 -1.539 1.00 9.15 H new ATOM 318 N LYS A 23 22.655 -2.980 0.734 1.00 7.27 N ATOM 319 CA LYS A 23 22.796 -2.838 2.166 1.00 7.12 C ATOM 320 C LYS A 23 23.473 -1.576 2.555 1.00 6.46 C ATOM 321 O LYS A 23 24.696 -1.474 2.505 1.00 6.78 O ATOM 322 CB LYS A 23 23.483 -4.030 2.845 1.00 8.04 C ATOM 323 CG LYS A 23 22.608 -5.280 2.960 1.00 8.77 C ATOM 324 CD LYS A 23 23.300 -6.474 3.640 1.00 9.62 C ATOM 325 CE LYS A 23 24.302 -7.234 2.742 1.00 10.49 C ATOM 326 NZ LYS A 23 25.498 -6.448 2.338 1.00 11.12 N ATOM 0 H LYS A 23 23.469 -2.679 0.198 1.00 7.27 H new ATOM 0 HA LYS A 23 21.769 -2.806 2.530 1.00 7.12 H new ATOM 0 HB2 LYS A 23 24.384 -4.282 2.286 1.00 8.04 H new ATOM 0 HB3 LYS A 23 23.801 -3.730 3.844 1.00 8.04 H new ATOM 0 HG2 LYS A 23 21.707 -5.029 3.520 1.00 8.77 H new ATOM 0 HG3 LYS A 23 22.289 -5.580 1.962 1.00 8.77 H new ATOM 0 HD2 LYS A 23 23.825 -6.116 4.526 1.00 9.62 H new ATOM 0 HD3 LYS A 23 22.537 -7.173 3.982 1.00 9.62 H new ATOM 0 HE2 LYS A 23 24.634 -8.129 3.268 1.00 10.49 H new ATOM 0 HE3 LYS A 23 23.783 -7.567 1.843 1.00 10.49 H new ATOM 0 HZ1 LYS A 23 26.314 -7.085 2.238 1.00 11.12 H new ATOM 0 HZ2 LYS A 23 25.313 -5.977 1.429 1.00 11.12 H new ATOM 0 HZ3 LYS A 23 25.704 -5.732 3.063 1.00 11.12 H new ATOM 340 N ASN A 24 22.692 -0.603 2.921 1.00 5.86 N ATOM 341 CA ASN A 24 23.232 0.633 3.407 1.00 5.58 C ATOM 342 C ASN A 24 22.382 1.154 4.566 1.00 5.25 C ATOM 343 O ASN A 24 22.805 1.096 5.712 1.00 5.71 O ATOM 344 CB ASN A 24 23.394 1.699 2.289 1.00 5.59 C ATOM 345 CG ASN A 24 23.989 3.012 2.805 1.00 6.03 C ATOM 346 OD1 ASN A 24 25.219 3.180 2.866 1.00 6.46 O ATOM 347 ND2 ASN A 24 23.147 3.948 3.139 1.00 6.29 N ATOM 0 H ASN A 24 21.673 -0.642 2.892 1.00 5.86 H new ATOM 0 HA ASN A 24 24.239 0.432 3.773 1.00 5.58 H new ATOM 0 HB2 ASN A 24 24.034 1.300 1.502 1.00 5.59 H new ATOM 0 HB3 ASN A 24 22.421 1.898 1.839 1.00 5.59 H new ATOM 0 HD21 ASN A 24 23.491 4.852 3.462 1.00 6.29 H new ATOM 0 HD22 ASN A 24 22.143 3.777 3.077 1.00 6.29 H new ATOM 354 N LEU A 25 21.165 1.616 4.264 1.00 4.87 N ATOM 355 CA LEU A 25 20.272 2.156 5.302 1.00 4.97 C ATOM 356 C LEU A 25 19.268 1.076 5.782 1.00 4.70 C ATOM 357 O LEU A 25 19.508 0.388 6.765 1.00 4.86 O ATOM 358 CB LEU A 25 19.533 3.427 4.794 1.00 5.36 C ATOM 359 CG LEU A 25 18.586 4.126 5.788 1.00 6.04 C ATOM 360 CD1 LEU A 25 19.343 4.611 7.020 1.00 6.81 C ATOM 361 CD2 LEU A 25 17.858 5.282 5.108 1.00 6.58 C ATOM 0 H LEU A 25 20.776 1.629 3.321 1.00 4.87 H new ATOM 0 HA LEU A 25 20.882 2.447 6.157 1.00 4.97 H new ATOM 0 HB2 LEU A 25 20.283 4.150 4.474 1.00 5.36 H new ATOM 0 HB3 LEU A 25 18.956 3.154 3.911 1.00 5.36 H new ATOM 0 HG LEU A 25 17.845 3.399 6.119 1.00 6.04 H new ATOM 0 HD11 LEU A 25 18.649 5.100 7.704 1.00 6.81 H new ATOM 0 HD12 LEU A 25 19.807 3.761 7.520 1.00 6.81 H new ATOM 0 HD13 LEU A 25 20.115 5.319 6.718 1.00 6.81 H new ATOM 0 HD21 LEU A 25 17.193 5.765 5.824 1.00 6.58 H new ATOM 0 HD22 LEU A 25 18.586 6.006 4.743 1.00 6.58 H new ATOM 0 HD23 LEU A 25 17.274 4.902 4.270 1.00 6.58 H new ATOM 373 N GLU A 26 18.186 0.909 5.054 1.00 4.76 N ATOM 374 CA GLU A 26 17.171 -0.094 5.365 1.00 4.96 C ATOM 375 C GLU A 26 16.680 -0.678 4.066 1.00 4.83 C ATOM 376 O GLU A 26 16.919 -0.107 3.006 1.00 4.95 O ATOM 377 CB GLU A 26 15.974 0.488 6.172 1.00 5.70 C ATOM 378 CG GLU A 26 16.325 1.018 7.568 1.00 6.48 C ATOM 379 CD GLU A 26 15.135 1.602 8.319 1.00 7.27 C ATOM 380 OE1 GLU A 26 14.724 2.747 8.011 1.00 7.68 O ATOM 381 OE2 GLU A 26 14.574 0.905 9.191 1.00 7.70 O ATOM 0 H GLU A 26 17.977 1.464 4.224 1.00 4.76 H new ATOM 0 HA GLU A 26 17.625 -0.858 5.997 1.00 4.96 H new ATOM 0 HB2 GLU A 26 15.527 1.298 5.595 1.00 5.70 H new ATOM 0 HB3 GLU A 26 15.215 -0.287 6.275 1.00 5.70 H new ATOM 0 HG2 GLU A 26 16.753 0.207 8.158 1.00 6.48 H new ATOM 0 HG3 GLU A 26 17.095 1.784 7.473 1.00 6.48 H new ATOM 388 N LYS A 27 16.026 -1.801 4.142 1.00 5.08 N ATOM 389 CA LYS A 27 15.524 -2.455 2.947 1.00 5.48 C ATOM 390 C LYS A 27 13.982 -2.588 2.965 1.00 5.57 C ATOM 391 O LYS A 27 13.319 -2.343 1.959 1.00 6.04 O ATOM 392 CB LYS A 27 16.217 -3.825 2.741 1.00 6.20 C ATOM 393 CG LYS A 27 16.067 -4.798 3.907 1.00 6.72 C ATOM 394 CD LYS A 27 16.772 -6.117 3.624 1.00 7.40 C ATOM 395 CE LYS A 27 16.568 -7.112 4.746 1.00 8.14 C ATOM 396 NZ LYS A 27 17.173 -8.431 4.438 1.00 8.86 N ATOM 0 H LYS A 27 15.823 -2.290 5.014 1.00 5.08 H new ATOM 0 HA LYS A 27 15.771 -1.823 2.094 1.00 5.48 H new ATOM 0 HB2 LYS A 27 15.811 -4.290 1.843 1.00 6.20 H new ATOM 0 HB3 LYS A 27 17.279 -3.656 2.561 1.00 6.20 H new ATOM 0 HG2 LYS A 27 16.479 -4.350 4.812 1.00 6.72 H new ATOM 0 HG3 LYS A 27 15.009 -4.982 4.095 1.00 6.72 H new ATOM 0 HD2 LYS A 27 16.396 -6.538 2.691 1.00 7.40 H new ATOM 0 HD3 LYS A 27 17.838 -5.938 3.486 1.00 7.40 H new ATOM 0 HE2 LYS A 27 17.005 -6.718 5.663 1.00 8.14 H new ATOM 0 HE3 LYS A 27 15.501 -7.237 4.930 1.00 8.14 H new ATOM 0 HZ1 LYS A 27 17.010 -9.082 5.233 1.00 8.86 H new ATOM 0 HZ2 LYS A 27 16.738 -8.820 3.577 1.00 8.86 H new ATOM 0 HZ3 LYS A 27 18.196 -8.317 4.288 1.00 8.86 H new ATOM 410 N ALA A 28 13.413 -2.955 4.111 1.00 5.50 N ATOM 411 CA ALA A 28 11.969 -3.124 4.208 1.00 5.97 C ATOM 412 C ALA A 28 11.407 -2.393 5.411 1.00 6.23 C ATOM 413 O ALA A 28 11.609 -2.811 6.554 1.00 6.48 O ATOM 414 CB ALA A 28 11.599 -4.600 4.268 1.00 6.27 C ATOM 0 H ALA A 28 13.924 -3.139 4.974 1.00 5.50 H new ATOM 0 HA ALA A 28 11.527 -2.690 3.311 1.00 5.97 H new ATOM 0 HB1 ALA A 28 10.516 -4.701 4.340 1.00 6.27 H new ATOM 0 HB2 ALA A 28 11.951 -5.100 3.366 1.00 6.27 H new ATOM 0 HB3 ALA A 28 12.065 -5.057 5.141 1.00 6.27 H new ATOM 420 N LYS A 29 10.734 -1.291 5.164 1.00 6.51 N ATOM 421 CA LYS A 29 10.136 -0.512 6.240 1.00 7.02 C ATOM 422 C LYS A 29 8.639 -0.315 5.969 1.00 6.93 C ATOM 423 O LYS A 29 7.885 0.109 6.837 1.00 7.10 O ATOM 424 CB LYS A 29 10.854 0.849 6.349 1.00 7.79 C ATOM 425 CG LYS A 29 10.510 1.700 7.580 1.00 8.36 C ATOM 426 CD LYS A 29 10.811 0.946 8.882 1.00 9.07 C ATOM 427 CE LYS A 29 10.685 1.842 10.115 1.00 9.70 C ATOM 428 NZ LYS A 29 9.328 2.390 10.293 1.00 10.01 N ATOM 0 H LYS A 29 10.584 -0.909 4.230 1.00 6.51 H new ATOM 0 HA LYS A 29 10.248 -1.044 7.185 1.00 7.02 H new ATOM 0 HB2 LYS A 29 11.929 0.670 6.346 1.00 7.79 H new ATOM 0 HB3 LYS A 29 10.625 1.430 5.456 1.00 7.79 H new ATOM 0 HG2 LYS A 29 11.081 2.628 7.554 1.00 8.36 H new ATOM 0 HG3 LYS A 29 9.455 1.974 7.552 1.00 8.36 H new ATOM 0 HD2 LYS A 29 10.127 0.103 8.977 1.00 9.07 H new ATOM 0 HD3 LYS A 29 11.819 0.535 8.836 1.00 9.07 H new ATOM 0 HE2 LYS A 29 10.959 1.271 11.002 1.00 9.70 H new ATOM 0 HE3 LYS A 29 11.395 2.665 10.033 1.00 9.70 H new ATOM 0 HZ1 LYS A 29 9.295 2.961 11.162 1.00 10.01 H new ATOM 0 HZ2 LYS A 29 9.085 2.987 9.477 1.00 10.01 H new ATOM 0 HZ3 LYS A 29 8.645 1.609 10.366 1.00 10.01 H new ATOM 442 N ALA A 30 8.224 -0.652 4.758 1.00 7.00 N ATOM 443 CA ALA A 30 6.850 -0.482 4.327 1.00 7.22 C ATOM 444 C ALA A 30 6.565 -1.460 3.201 1.00 7.17 C ATOM 445 O ALA A 30 7.502 -1.975 2.570 1.00 7.27 O ATOM 446 CB ALA A 30 6.609 0.951 3.861 1.00 7.43 C ATOM 0 H ALA A 30 8.835 -1.052 4.046 1.00 7.00 H new ATOM 0 HA ALA A 30 6.179 -0.680 5.163 1.00 7.22 H new ATOM 0 HB1 ALA A 30 5.573 1.060 3.541 1.00 7.43 H new ATOM 0 HB2 ALA A 30 6.810 1.639 4.682 1.00 7.43 H new ATOM 0 HB3 ALA A 30 7.272 1.179 3.026 1.00 7.43 H new ATOM 452 N ALA A 31 5.296 -1.724 2.959 1.00 7.30 N ATOM 453 CA ALA A 31 4.891 -2.664 1.935 1.00 7.49 C ATOM 454 C ALA A 31 4.630 -1.949 0.613 1.00 7.26 C ATOM 455 O ALA A 31 3.580 -1.325 0.436 1.00 7.29 O ATOM 456 CB ALA A 31 3.658 -3.445 2.381 1.00 8.16 C ATOM 0 H ALA A 31 4.521 -1.295 3.464 1.00 7.30 H new ATOM 0 HA ALA A 31 5.706 -3.371 1.780 1.00 7.49 H new ATOM 0 HB1 ALA A 31 3.369 -4.146 1.598 1.00 8.16 H new ATOM 0 HB2 ALA A 31 3.886 -3.994 3.294 1.00 8.16 H new ATOM 0 HB3 ALA A 31 2.837 -2.753 2.569 1.00 8.16 H new ATOM 462 N GLY A 32 5.607 -2.021 -0.293 1.00 7.31 N ATOM 463 CA GLY A 32 5.487 -1.384 -1.601 1.00 7.37 C ATOM 464 C GLY A 32 4.493 -2.100 -2.495 1.00 7.39 C ATOM 465 O GLY A 32 3.713 -1.470 -3.189 1.00 7.69 O ATOM 0 H GLY A 32 6.488 -2.514 -0.143 1.00 7.31 H new ATOM 0 HA2 GLY A 32 5.176 -0.347 -1.472 1.00 7.37 H new ATOM 0 HA3 GLY A 32 6.463 -1.366 -2.086 1.00 7.37 H new ATOM 469 N LYS A 33 4.550 -3.439 -2.473 1.00 7.33 N ATOM 470 CA LYS A 33 3.632 -4.326 -3.235 1.00 7.58 C ATOM 471 C LYS A 33 3.763 -4.167 -4.768 1.00 7.81 C ATOM 472 O LYS A 33 2.911 -4.624 -5.517 1.00 8.09 O ATOM 473 CB LYS A 33 2.166 -4.139 -2.780 1.00 7.70 C ATOM 474 CG LYS A 33 1.947 -4.436 -1.304 1.00 7.71 C ATOM 475 CD LYS A 33 0.480 -4.314 -0.892 1.00 8.10 C ATOM 476 CE LYS A 33 0.323 -4.581 0.602 1.00 8.68 C ATOM 477 NZ LYS A 33 -1.100 -4.517 1.064 1.00 8.86 N ATOM 0 H LYS A 33 5.239 -3.951 -1.922 1.00 7.33 H new ATOM 0 HA LYS A 33 3.938 -5.347 -3.006 1.00 7.58 H new ATOM 0 HB2 LYS A 33 1.858 -3.114 -2.986 1.00 7.70 H new ATOM 0 HB3 LYS A 33 1.524 -4.790 -3.373 1.00 7.70 H new ATOM 0 HG2 LYS A 33 2.300 -5.443 -1.083 1.00 7.71 H new ATOM 0 HG3 LYS A 33 2.547 -3.750 -0.706 1.00 7.71 H new ATOM 0 HD2 LYS A 33 0.110 -3.317 -1.130 1.00 8.10 H new ATOM 0 HD3 LYS A 33 -0.124 -5.022 -1.460 1.00 8.10 H new ATOM 0 HE2 LYS A 33 0.730 -5.565 0.834 1.00 8.68 H new ATOM 0 HE3 LYS A 33 0.913 -3.853 1.159 1.00 8.68 H new ATOM 0 HZ1 LYS A 33 -1.127 -4.249 2.069 1.00 8.86 H new ATOM 0 HZ2 LYS A 33 -1.616 -3.809 0.503 1.00 8.86 H new ATOM 0 HZ3 LYS A 33 -1.547 -5.448 0.942 1.00 8.86 H new ATOM 491 N GLY A 34 4.839 -3.544 -5.215 1.00 7.92 N ATOM 492 CA GLY A 34 5.062 -3.387 -6.643 1.00 8.28 C ATOM 493 C GLY A 34 5.887 -2.157 -6.950 1.00 8.23 C ATOM 494 O GLY A 34 5.342 -1.083 -7.262 1.00 8.16 O ATOM 0 H GLY A 34 5.564 -3.143 -4.620 1.00 7.92 H new ATOM 0 HA2 GLY A 34 5.568 -4.271 -7.031 1.00 8.28 H new ATOM 0 HA3 GLY A 34 4.102 -3.318 -7.156 1.00 8.28 H new ATOM 498 N SER A 35 7.188 -2.291 -6.866 1.00 8.52 N ATOM 499 CA SER A 35 8.065 -1.174 -7.071 1.00 8.67 C ATOM 500 C SER A 35 8.301 -0.924 -8.574 1.00 8.96 C ATOM 501 O SER A 35 9.138 -1.543 -9.214 1.00 9.53 O ATOM 502 CB SER A 35 9.392 -1.351 -6.303 1.00 8.87 C ATOM 503 OG SER A 35 10.189 -0.180 -6.353 1.00 8.86 O ATOM 0 H SER A 35 7.661 -3.170 -6.656 1.00 8.52 H new ATOM 0 HA SER A 35 7.578 -0.287 -6.665 1.00 8.67 H new ATOM 0 HB2 SER A 35 9.180 -1.602 -5.264 1.00 8.87 H new ATOM 0 HB3 SER A 35 9.948 -2.188 -6.726 1.00 8.87 H new ATOM 0 HG SER A 35 10.010 0.372 -5.563 1.00 8.86 H new ATOM 509 N GLN A 36 7.480 -0.068 -9.111 1.00 8.75 N ATOM 510 CA GLN A 36 7.540 0.416 -10.493 1.00 9.17 C ATOM 511 C GLN A 36 7.249 1.892 -10.444 1.00 8.70 C ATOM 512 O GLN A 36 7.939 2.709 -11.033 1.00 8.58 O ATOM 513 CB GLN A 36 6.505 -0.283 -11.406 1.00 10.09 C ATOM 514 CG GLN A 36 6.759 -1.758 -11.651 1.00 10.66 C ATOM 515 CD GLN A 36 5.725 -2.411 -12.563 1.00 11.45 C ATOM 516 OE1 GLN A 36 6.032 -3.337 -13.304 1.00 11.91 O ATOM 517 NE2 GLN A 36 4.484 -1.946 -12.502 1.00 11.81 N ATOM 0 H GLN A 36 6.707 0.341 -8.586 1.00 8.75 H new ATOM 0 HA GLN A 36 8.523 0.200 -10.912 1.00 9.17 H new ATOM 0 HB2 GLN A 36 5.516 -0.169 -10.962 1.00 10.09 H new ATOM 0 HB3 GLN A 36 6.485 0.231 -12.367 1.00 10.09 H new ATOM 0 HG2 GLN A 36 7.749 -1.880 -12.091 1.00 10.66 H new ATOM 0 HG3 GLN A 36 6.769 -2.280 -10.694 1.00 10.66 H new ATOM 0 HE21 GLN A 36 4.259 -1.174 -11.875 1.00 11.81 H new ATOM 0 HE22 GLN A 36 3.755 -2.361 -13.082 1.00 11.81 H new ATOM 526 N LEU A 37 6.194 2.215 -9.733 1.00 8.63 N ATOM 527 CA LEU A 37 5.836 3.578 -9.455 1.00 8.33 C ATOM 528 C LEU A 37 6.164 3.829 -7.991 1.00 7.59 C ATOM 529 O LEU A 37 6.941 4.709 -7.665 1.00 7.53 O ATOM 530 CB LEU A 37 4.323 3.856 -9.698 1.00 8.94 C ATOM 531 CG LEU A 37 3.766 3.730 -11.148 1.00 9.62 C ATOM 532 CD1 LEU A 37 3.797 2.297 -11.672 1.00 10.08 C ATOM 533 CD2 LEU A 37 2.351 4.282 -11.207 1.00 9.94 C ATOM 0 H LEU A 37 5.556 1.529 -9.329 1.00 8.63 H new ATOM 0 HA LEU A 37 6.389 4.238 -10.123 1.00 8.33 H new ATOM 0 HB2 LEU A 37 3.755 3.174 -9.065 1.00 8.94 H new ATOM 0 HB3 LEU A 37 4.112 4.867 -9.349 1.00 8.94 H new ATOM 0 HG LEU A 37 4.419 4.315 -11.796 1.00 9.62 H new ATOM 0 HD11 LEU A 37 3.397 2.272 -12.686 1.00 10.08 H new ATOM 0 HD12 LEU A 37 4.825 1.934 -11.678 1.00 10.08 H new ATOM 0 HD13 LEU A 37 3.191 1.661 -11.027 1.00 10.08 H new ATOM 0 HD21 LEU A 37 1.967 4.191 -12.223 1.00 9.94 H new ATOM 0 HD22 LEU A 37 1.712 3.719 -10.526 1.00 9.94 H new ATOM 0 HD23 LEU A 37 2.358 5.332 -10.914 1.00 9.94 H new ATOM 545 N GLU A 38 5.544 2.994 -7.129 1.00 7.28 N ATOM 546 CA GLU A 38 5.729 2.999 -5.674 1.00 6.85 C ATOM 547 C GLU A 38 5.156 4.289 -5.059 1.00 6.29 C ATOM 548 O GLU A 38 5.812 5.327 -5.010 1.00 6.53 O ATOM 549 CB GLU A 38 7.214 2.729 -5.298 1.00 7.02 C ATOM 550 CG GLU A 38 7.482 2.460 -3.821 1.00 7.23 C ATOM 551 CD GLU A 38 8.926 2.042 -3.560 1.00 7.58 C ATOM 552 OE1 GLU A 38 9.343 0.956 -4.018 1.00 7.86 O ATOM 553 OE2 GLU A 38 9.655 2.798 -2.868 1.00 7.82 O ATOM 0 H GLU A 38 4.885 2.281 -7.441 1.00 7.28 H new ATOM 0 HA GLU A 38 5.161 2.177 -5.238 1.00 6.85 H new ATOM 0 HB2 GLU A 38 7.566 1.873 -5.874 1.00 7.02 H new ATOM 0 HB3 GLU A 38 7.810 3.588 -5.606 1.00 7.02 H new ATOM 0 HG2 GLU A 38 7.256 3.357 -3.244 1.00 7.23 H new ATOM 0 HG3 GLU A 38 6.810 1.677 -3.469 1.00 7.23 H new ATOM 560 N ALA A 39 3.892 4.212 -4.637 1.00 5.86 N ATOM 561 CA ALA A 39 3.171 5.371 -4.142 1.00 5.57 C ATOM 562 C ALA A 39 2.694 5.174 -2.715 1.00 5.31 C ATOM 563 O ALA A 39 2.022 4.181 -2.393 1.00 5.56 O ATOM 564 CB ALA A 39 1.996 5.688 -5.059 1.00 5.92 C ATOM 0 H ALA A 39 3.349 3.349 -4.631 1.00 5.86 H new ATOM 0 HA ALA A 39 3.861 6.215 -4.139 1.00 5.57 H new ATOM 0 HB1 ALA A 39 1.462 6.559 -4.679 1.00 5.92 H new ATOM 0 HB2 ALA A 39 2.364 5.898 -6.063 1.00 5.92 H new ATOM 0 HB3 ALA A 39 1.320 4.834 -5.092 1.00 5.92 H new ATOM 570 N ASN A 40 3.033 6.126 -1.874 1.00 5.21 N ATOM 571 CA ASN A 40 2.681 6.107 -0.458 1.00 5.30 C ATOM 572 C ASN A 40 1.210 6.453 -0.229 1.00 4.90 C ATOM 573 O ASN A 40 0.652 7.349 -0.866 1.00 4.87 O ATOM 574 CB ASN A 40 3.575 7.100 0.329 1.00 5.95 C ATOM 575 CG ASN A 40 3.480 8.552 -0.185 1.00 6.36 C ATOM 576 OD1 ASN A 40 4.231 8.944 -1.072 1.00 6.54 O ATOM 577 ND2 ASN A 40 2.564 9.345 0.360 1.00 6.88 N ATOM 0 H ASN A 40 3.568 6.949 -2.151 1.00 5.21 H new ATOM 0 HA ASN A 40 2.848 5.092 -0.097 1.00 5.30 H new ATOM 0 HB2 ASN A 40 3.292 7.076 1.381 1.00 5.95 H new ATOM 0 HB3 ASN A 40 4.612 6.769 0.270 1.00 5.95 H new ATOM 0 HD21 ASN A 40 2.471 10.310 0.042 1.00 6.88 H new ATOM 0 HD22 ASN A 40 1.954 8.989 1.096 1.00 6.88 H new ATOM 584 N LYS A 41 0.574 5.716 0.669 1.00 4.91 N ATOM 585 CA LYS A 41 -0.785 6.028 1.083 1.00 4.79 C ATOM 586 C LYS A 41 -0.749 6.438 2.547 1.00 5.11 C ATOM 587 O LYS A 41 -1.678 7.049 3.063 1.00 5.52 O ATOM 588 CB LYS A 41 -1.741 4.827 0.902 1.00 5.30 C ATOM 589 CG LYS A 41 -1.858 4.304 -0.524 1.00 6.03 C ATOM 590 CD LYS A 41 -2.854 3.153 -0.594 1.00 6.55 C ATOM 591 CE LYS A 41 -3.037 2.625 -2.019 1.00 7.33 C ATOM 592 NZ LYS A 41 -1.785 2.061 -2.589 1.00 7.95 N ATOM 0 H LYS A 41 0.977 4.898 1.125 1.00 4.91 H new ATOM 0 HA LYS A 41 -1.164 6.835 0.456 1.00 4.79 H new ATOM 0 HB2 LYS A 41 -1.403 4.014 1.544 1.00 5.30 H new ATOM 0 HB3 LYS A 41 -2.733 5.116 1.249 1.00 5.30 H new ATOM 0 HG2 LYS A 41 -2.177 5.108 -1.187 1.00 6.03 H new ATOM 0 HG3 LYS A 41 -0.882 3.969 -0.875 1.00 6.03 H new ATOM 0 HD2 LYS A 41 -2.514 2.342 0.050 1.00 6.55 H new ATOM 0 HD3 LYS A 41 -3.817 3.485 -0.206 1.00 6.55 H new ATOM 0 HE2 LYS A 41 -3.810 1.857 -2.020 1.00 7.33 H new ATOM 0 HE3 LYS A 41 -3.390 3.434 -2.659 1.00 7.33 H new ATOM 0 HZ1 LYS A 41 -1.985 1.643 -3.520 1.00 7.95 H new ATOM 0 HZ2 LYS A 41 -1.080 2.818 -2.694 1.00 7.95 H new ATOM 0 HZ3 LYS A 41 -1.413 1.327 -1.952 1.00 7.95 H new ATOM 606 N LYS A 42 0.370 6.071 3.202 1.00 5.29 N ATOM 607 CA LYS A 42 0.657 6.331 4.613 1.00 6.01 C ATOM 608 C LYS A 42 -0.308 5.587 5.563 1.00 6.11 C ATOM 609 O LYS A 42 0.115 4.752 6.343 1.00 6.74 O ATOM 610 CB LYS A 42 0.722 7.844 4.924 1.00 6.24 C ATOM 611 CG LYS A 42 1.805 8.604 4.150 1.00 6.53 C ATOM 612 CD LYS A 42 1.927 10.075 4.572 1.00 7.13 C ATOM 613 CE LYS A 42 2.397 10.208 6.023 1.00 7.68 C ATOM 614 NZ LYS A 42 2.628 11.624 6.421 1.00 8.17 N ATOM 0 H LYS A 42 1.124 5.565 2.737 1.00 5.29 H new ATOM 0 HA LYS A 42 1.650 5.924 4.802 1.00 6.01 H new ATOM 0 HB2 LYS A 42 -0.247 8.290 4.701 1.00 6.24 H new ATOM 0 HB3 LYS A 42 0.896 7.976 5.992 1.00 6.24 H new ATOM 0 HG2 LYS A 42 2.765 8.109 4.299 1.00 6.53 H new ATOM 0 HG3 LYS A 42 1.583 8.555 3.084 1.00 6.53 H new ATOM 0 HD2 LYS A 42 2.629 10.586 3.913 1.00 7.13 H new ATOM 0 HD3 LYS A 42 0.962 10.569 4.455 1.00 7.13 H new ATOM 0 HE2 LYS A 42 1.652 9.765 6.685 1.00 7.68 H new ATOM 0 HE3 LYS A 42 3.319 9.642 6.156 1.00 7.68 H new ATOM 0 HZ1 LYS A 42 2.945 11.659 7.411 1.00 8.17 H new ATOM 0 HZ2 LYS A 42 3.358 12.042 5.809 1.00 8.17 H new ATOM 0 HZ3 LYS A 42 1.743 12.161 6.321 1.00 8.17 H new ATOM 628 N ALA A 43 -1.592 5.860 5.450 1.00 5.71 N ATOM 629 CA ALA A 43 -2.606 5.267 6.322 1.00 5.93 C ATOM 630 C ALA A 43 -3.134 3.931 5.772 1.00 5.58 C ATOM 631 O ALA A 43 -4.166 3.454 6.215 1.00 5.78 O ATOM 632 CB ALA A 43 -3.756 6.250 6.508 1.00 5.86 C ATOM 0 H ALA A 43 -1.971 6.500 4.752 1.00 5.71 H new ATOM 0 HA ALA A 43 -2.138 5.057 7.284 1.00 5.93 H new ATOM 0 HB1 ALA A 43 -4.511 5.808 7.158 1.00 5.86 H new ATOM 0 HB2 ALA A 43 -3.381 7.168 6.960 1.00 5.86 H new ATOM 0 HB3 ALA A 43 -4.200 6.478 5.539 1.00 5.86 H new ATOM 638 N MET A 44 -2.402 3.356 4.795 1.00 5.27 N ATOM 639 CA MET A 44 -2.683 2.044 4.089 1.00 5.14 C ATOM 640 C MET A 44 -4.027 1.966 3.331 1.00 4.41 C ATOM 641 O MET A 44 -4.171 1.161 2.411 1.00 4.57 O ATOM 642 CB MET A 44 -2.434 0.788 4.958 1.00 5.83 C ATOM 643 CG MET A 44 -3.368 0.584 6.137 1.00 6.40 C ATOM 644 SD MET A 44 -2.996 -0.917 7.060 1.00 6.97 S ATOM 645 CE MET A 44 -1.312 -0.573 7.598 1.00 7.62 C ATOM 0 H MET A 44 -1.553 3.799 4.444 1.00 5.27 H new ATOM 0 HA MET A 44 -1.922 2.039 3.309 1.00 5.14 H new ATOM 0 HB2 MET A 44 -2.499 -0.090 4.315 1.00 5.83 H new ATOM 0 HB3 MET A 44 -1.412 0.831 5.336 1.00 5.83 H new ATOM 0 HG2 MET A 44 -3.299 1.443 6.804 1.00 6.40 H new ATOM 0 HG3 MET A 44 -4.396 0.541 5.778 1.00 6.40 H new ATOM 0 HE1 MET A 44 -1.052 -1.233 8.426 1.00 7.62 H new ATOM 0 HE2 MET A 44 -0.624 -0.742 6.770 1.00 7.62 H new ATOM 0 HE3 MET A 44 -1.239 0.464 7.925 1.00 7.62 H new ATOM 655 N SER A 45 -4.972 2.786 3.734 1.00 3.91 N ATOM 656 CA SER A 45 -6.241 2.929 3.129 1.00 3.31 C ATOM 657 C SER A 45 -7.192 1.728 3.321 1.00 3.15 C ATOM 658 O SER A 45 -7.762 1.558 4.400 1.00 3.30 O ATOM 659 CB SER A 45 -6.115 3.345 1.675 1.00 3.27 C ATOM 660 OG SER A 45 -5.378 4.559 1.527 1.00 3.82 O ATOM 0 H SER A 45 -4.850 3.398 4.541 1.00 3.91 H new ATOM 0 HA SER A 45 -6.729 3.738 3.672 1.00 3.31 H new ATOM 0 HB2 SER A 45 -5.623 2.552 1.112 1.00 3.27 H new ATOM 0 HB3 SER A 45 -7.109 3.470 1.246 1.00 3.27 H new ATOM 0 HG SER A 45 -5.926 5.313 1.829 1.00 3.82 H new ATOM 666 N ILE A 46 -7.314 0.883 2.299 1.00 3.06 N ATOM 667 CA ILE A 46 -8.294 -0.201 2.295 1.00 2.90 C ATOM 668 C ILE A 46 -7.634 -1.510 1.836 1.00 3.39 C ATOM 669 O ILE A 46 -6.704 -1.483 1.044 1.00 3.76 O ATOM 670 CB ILE A 46 -9.485 0.157 1.325 1.00 2.48 C ATOM 671 CG1 ILE A 46 -10.186 1.460 1.763 1.00 2.40 C ATOM 672 CG2 ILE A 46 -10.501 -0.986 1.225 1.00 2.38 C ATOM 673 CD1 ILE A 46 -11.334 1.896 0.860 1.00 2.53 C ATOM 0 H ILE A 46 -6.741 0.930 1.456 1.00 3.06 H new ATOM 0 HA ILE A 46 -8.677 -0.331 3.307 1.00 2.90 H new ATOM 0 HB ILE A 46 -9.055 0.309 0.335 1.00 2.48 H new ATOM 0 HG12 ILE A 46 -10.567 1.330 2.776 1.00 2.40 H new ATOM 0 HG13 ILE A 46 -9.447 2.260 1.801 1.00 2.40 H new ATOM 0 HG21 ILE A 46 -11.305 -0.700 0.547 1.00 2.38 H new ATOM 0 HG22 ILE A 46 -10.007 -1.880 0.844 1.00 2.38 H new ATOM 0 HG23 ILE A 46 -10.914 -1.193 2.212 1.00 2.38 H new ATOM 0 HD11 ILE A 46 -11.768 2.820 1.243 1.00 2.53 H new ATOM 0 HD12 ILE A 46 -10.959 2.063 -0.150 1.00 2.53 H new ATOM 0 HD13 ILE A 46 -12.097 1.118 0.840 1.00 2.53 H new ATOM 685 N GLN A 47 -8.106 -2.634 2.347 1.00 3.62 N ATOM 686 CA GLN A 47 -7.614 -3.963 1.968 1.00 4.26 C ATOM 687 C GLN A 47 -8.687 -4.711 1.171 1.00 4.05 C ATOM 688 O GLN A 47 -9.868 -4.572 1.440 1.00 3.59 O ATOM 689 CB GLN A 47 -7.248 -4.764 3.234 1.00 4.89 C ATOM 690 CG GLN A 47 -6.850 -6.231 2.989 1.00 5.73 C ATOM 691 CD GLN A 47 -6.577 -6.982 4.286 1.00 6.34 C ATOM 692 OE1 GLN A 47 -6.133 -6.407 5.275 1.00 6.66 O ATOM 693 NE2 GLN A 47 -6.848 -8.264 4.296 1.00 6.79 N ATOM 0 H GLN A 47 -8.850 -2.658 3.045 1.00 3.62 H new ATOM 0 HA GLN A 47 -6.726 -3.850 1.346 1.00 4.26 H new ATOM 0 HB2 GLN A 47 -6.423 -4.260 3.738 1.00 4.89 H new ATOM 0 HB3 GLN A 47 -8.098 -4.744 3.916 1.00 4.89 H new ATOM 0 HG2 GLN A 47 -7.647 -6.734 2.441 1.00 5.73 H new ATOM 0 HG3 GLN A 47 -5.961 -6.263 2.359 1.00 5.73 H new ATOM 0 HE21 GLN A 47 -7.216 -8.714 3.458 1.00 6.79 H new ATOM 0 HE22 GLN A 47 -6.691 -8.812 5.142 1.00 6.79 H new ATOM 702 N CYS A 48 -8.254 -5.481 0.190 1.00 4.51 N ATOM 703 CA CYS A 48 -9.144 -6.286 -0.640 1.00 4.51 C ATOM 704 C CYS A 48 -9.494 -7.603 0.043 1.00 4.78 C ATOM 705 O CYS A 48 -8.603 -8.345 0.493 1.00 5.43 O ATOM 706 CB CYS A 48 -8.489 -6.560 -1.978 1.00 5.18 C ATOM 707 SG CYS A 48 -9.533 -7.405 -3.179 1.00 5.33 S ATOM 0 H CYS A 48 -7.269 -5.569 -0.059 1.00 4.51 H new ATOM 0 HA CYS A 48 -10.067 -5.726 -0.792 1.00 4.51 H new ATOM 0 HB2 CYS A 48 -8.162 -5.612 -2.406 1.00 5.18 H new ATOM 0 HB3 CYS A 48 -7.594 -7.160 -1.811 1.00 5.18 H new ATOM 0 HG CYS A 48 -8.789 -7.936 -4.103 1.00 5.33 H new ATOM 713 N LYS A 49 -10.797 -7.868 0.075 1.00 4.37 N ATOM 714 CA LYS A 49 -11.466 -9.035 0.674 1.00 4.60 C ATOM 715 C LYS A 49 -10.851 -10.329 0.158 1.00 5.45 C ATOM 716 O LYS A 49 -10.715 -11.294 0.907 1.00 5.91 O ATOM 717 CB LYS A 49 -12.956 -8.940 0.240 1.00 4.03 C ATOM 718 CG LYS A 49 -14.041 -9.514 1.185 1.00 4.13 C ATOM 719 CD LYS A 49 -14.541 -10.958 0.907 1.00 4.80 C ATOM 720 CE LYS A 49 -13.490 -12.003 1.016 1.00 5.08 C ATOM 721 NZ LYS A 49 -14.018 -13.383 0.832 1.00 5.64 N ATOM 0 H LYS A 49 -11.470 -7.228 -0.347 1.00 4.37 H new ATOM 0 HA LYS A 49 -11.360 -9.039 1.759 1.00 4.60 H new ATOM 0 HB2 LYS A 49 -13.186 -7.888 0.073 1.00 4.03 H new ATOM 0 HB3 LYS A 49 -13.054 -9.444 -0.721 1.00 4.03 H new ATOM 0 HG2 LYS A 49 -13.652 -9.483 2.203 1.00 4.13 H new ATOM 0 HG3 LYS A 49 -14.903 -8.847 1.152 1.00 4.13 H new ATOM 0 HD2 LYS A 49 -15.343 -11.193 1.606 1.00 4.80 H new ATOM 0 HD3 LYS A 49 -14.970 -10.994 -0.094 1.00 4.80 H new ATOM 0 HE2 LYS A 49 -12.718 -11.813 0.270 1.00 5.08 H new ATOM 0 HE3 LYS A 49 -13.013 -11.930 1.993 1.00 5.08 H new ATOM 0 HZ1 LYS A 49 -13.239 -14.067 0.919 1.00 5.64 H new ATOM 0 HZ2 LYS A 49 -14.735 -13.580 1.559 1.00 5.64 H new ATOM 0 HZ3 LYS A 49 -14.449 -13.467 -0.111 1.00 5.64 H new ATOM 735 N VAL A 50 -10.440 -10.326 -1.114 1.00 5.76 N ATOM 736 CA VAL A 50 -9.939 -11.534 -1.785 1.00 6.62 C ATOM 737 C VAL A 50 -8.734 -12.148 -1.076 1.00 7.31 C ATOM 738 O VAL A 50 -8.473 -13.326 -1.230 1.00 7.94 O ATOM 739 CB VAL A 50 -9.579 -11.282 -3.271 1.00 6.99 C ATOM 740 CG1 VAL A 50 -10.728 -10.613 -3.995 1.00 6.73 C ATOM 741 CG2 VAL A 50 -8.282 -10.485 -3.432 1.00 7.56 C ATOM 0 H VAL A 50 -10.444 -9.495 -1.705 1.00 5.76 H new ATOM 0 HA VAL A 50 -10.766 -12.242 -1.739 1.00 6.62 H new ATOM 0 HB VAL A 50 -9.404 -12.256 -3.728 1.00 6.99 H new ATOM 0 HG11 VAL A 50 -10.454 -10.445 -5.037 1.00 6.73 H new ATOM 0 HG12 VAL A 50 -11.609 -11.254 -3.950 1.00 6.73 H new ATOM 0 HG13 VAL A 50 -10.950 -9.657 -3.520 1.00 6.73 H new ATOM 0 HG21 VAL A 50 -8.076 -10.336 -4.492 1.00 7.56 H new ATOM 0 HG22 VAL A 50 -8.387 -9.516 -2.943 1.00 7.56 H new ATOM 0 HG23 VAL A 50 -7.458 -11.034 -2.976 1.00 7.56 H new ATOM 751 N CYS A 51 -8.013 -11.328 -0.306 1.00 7.22 N ATOM 752 CA CYS A 51 -6.857 -11.772 0.433 1.00 7.91 C ATOM 753 C CYS A 51 -6.360 -10.666 1.368 1.00 7.66 C ATOM 754 O CYS A 51 -6.786 -10.585 2.519 1.00 7.62 O ATOM 755 CB CYS A 51 -5.730 -12.249 -0.510 1.00 8.65 C ATOM 756 SG CYS A 51 -4.236 -12.839 0.301 1.00 9.28 S ATOM 0 H CYS A 51 -8.226 -10.338 -0.186 1.00 7.22 H new ATOM 0 HA CYS A 51 -7.156 -12.627 1.040 1.00 7.91 H new ATOM 0 HB2 CYS A 51 -6.121 -13.049 -1.139 1.00 8.65 H new ATOM 0 HB3 CYS A 51 -5.462 -11.426 -1.172 1.00 8.65 H new ATOM 0 HG CYS A 51 -3.373 -13.211 -0.597 1.00 9.28 H new ATOM 762 N MET A 52 -5.507 -9.768 0.846 1.00 7.53 N ATOM 763 CA MET A 52 -4.944 -8.699 1.671 1.00 7.36 C ATOM 764 C MET A 52 -4.324 -7.610 0.779 1.00 7.19 C ATOM 765 O MET A 52 -3.272 -7.024 1.072 1.00 7.51 O ATOM 766 CB MET A 52 -3.903 -9.296 2.656 1.00 8.14 C ATOM 767 CG MET A 52 -3.372 -8.294 3.685 1.00 8.25 C ATOM 768 SD MET A 52 -2.266 -9.006 4.918 1.00 9.18 S ATOM 769 CE MET A 52 -0.945 -9.656 3.889 1.00 9.44 C ATOM 0 H MET A 52 -5.200 -9.764 -0.127 1.00 7.53 H new ATOM 0 HA MET A 52 -5.735 -8.231 2.256 1.00 7.36 H new ATOM 0 HB2 MET A 52 -4.356 -10.136 3.183 1.00 8.14 H new ATOM 0 HB3 MET A 52 -3.064 -9.693 2.085 1.00 8.14 H new ATOM 0 HG2 MET A 52 -2.845 -7.497 3.160 1.00 8.25 H new ATOM 0 HG3 MET A 52 -4.218 -7.834 4.196 1.00 8.25 H new ATOM 0 HE1 MET A 52 -0.097 -9.931 4.516 1.00 9.44 H new ATOM 0 HE2 MET A 52 -1.301 -10.536 3.353 1.00 9.44 H new ATOM 0 HE3 MET A 52 -0.634 -8.896 3.172 1.00 9.44 H new ATOM 779 N GLN A 53 -5.012 -7.306 -0.307 1.00 6.77 N ATOM 780 CA GLN A 53 -4.505 -6.318 -1.276 1.00 6.78 C ATOM 781 C GLN A 53 -4.946 -4.956 -0.831 1.00 5.99 C ATOM 782 O GLN A 53 -5.412 -4.827 0.273 1.00 5.51 O ATOM 783 CB GLN A 53 -5.000 -6.637 -2.676 1.00 7.00 C ATOM 784 CG GLN A 53 -4.763 -8.086 -3.034 1.00 7.73 C ATOM 785 CD GLN A 53 -3.303 -8.508 -2.837 1.00 8.54 C ATOM 786 OE1 GLN A 53 -2.490 -8.393 -3.723 1.00 9.11 O ATOM 787 NE2 GLN A 53 -2.989 -9.003 -1.648 1.00 8.65 N ATOM 0 H GLN A 53 -5.914 -7.717 -0.549 1.00 6.77 H new ATOM 0 HA GLN A 53 -3.416 -6.350 -1.313 1.00 6.78 H new ATOM 0 HB2 GLN A 53 -6.065 -6.414 -2.746 1.00 7.00 H new ATOM 0 HB3 GLN A 53 -4.492 -5.996 -3.397 1.00 7.00 H new ATOM 0 HG2 GLN A 53 -5.406 -8.718 -2.422 1.00 7.73 H new ATOM 0 HG3 GLN A 53 -5.049 -8.252 -4.073 1.00 7.73 H new ATOM 0 HE21 GLN A 53 -3.704 -9.085 -0.925 1.00 8.65 H new ATOM 0 HE22 GLN A 53 -2.033 -9.302 -1.456 1.00 8.65 H new ATOM 796 N THR A 54 -4.826 -3.945 -1.649 1.00 5.92 N ATOM 797 CA THR A 54 -5.182 -2.651 -1.157 1.00 5.23 C ATOM 798 C THR A 54 -5.830 -1.771 -2.216 1.00 5.04 C ATOM 799 O THR A 54 -5.635 -1.960 -3.422 1.00 5.63 O ATOM 800 CB THR A 54 -3.949 -1.942 -0.499 1.00 5.45 C ATOM 801 OG1 THR A 54 -4.308 -0.714 0.118 1.00 4.93 O ATOM 802 CG2 THR A 54 -2.888 -1.652 -1.514 1.00 5.93 C ATOM 0 H THR A 54 -4.500 -3.989 -2.614 1.00 5.92 H new ATOM 0 HA THR A 54 -5.939 -2.807 -0.388 1.00 5.23 H new ATOM 0 HB THR A 54 -3.573 -2.632 0.256 1.00 5.45 H new ATOM 0 HG1 THR A 54 -5.054 -0.864 0.735 1.00 4.93 H new ATOM 0 HG21 THR A 54 -2.045 -1.160 -1.029 1.00 5.93 H new ATOM 0 HG22 THR A 54 -2.552 -2.585 -1.966 1.00 5.93 H new ATOM 0 HG23 THR A 54 -3.293 -0.999 -2.287 1.00 5.93 H new ATOM 810 N PHE A 55 -6.614 -0.847 -1.731 1.00 4.34 N ATOM 811 CA PHE A 55 -7.278 0.158 -2.509 1.00 4.27 C ATOM 812 C PHE A 55 -6.988 1.481 -1.824 1.00 3.93 C ATOM 813 O PHE A 55 -6.580 1.484 -0.658 1.00 3.54 O ATOM 814 CB PHE A 55 -8.799 -0.093 -2.573 1.00 3.91 C ATOM 815 CG PHE A 55 -9.182 -1.358 -3.281 1.00 4.29 C ATOM 816 CD1 PHE A 55 -9.292 -1.373 -4.667 1.00 4.83 C ATOM 817 CD2 PHE A 55 -9.438 -2.534 -2.574 1.00 4.24 C ATOM 818 CE1 PHE A 55 -9.643 -2.523 -5.330 1.00 5.27 C ATOM 819 CE2 PHE A 55 -9.777 -3.682 -3.245 1.00 4.63 C ATOM 820 CZ PHE A 55 -9.890 -3.675 -4.622 1.00 5.13 C ATOM 0 H PHE A 55 -6.815 -0.773 -0.734 1.00 4.34 H new ATOM 0 HA PHE A 55 -6.920 0.149 -3.538 1.00 4.27 H new ATOM 0 HB2 PHE A 55 -9.194 -0.124 -1.558 1.00 3.91 H new ATOM 0 HB3 PHE A 55 -9.275 0.750 -3.075 1.00 3.91 H new ATOM 0 HD1 PHE A 55 -9.099 -0.470 -5.228 1.00 4.83 H new ATOM 0 HD2 PHE A 55 -9.369 -2.540 -1.496 1.00 4.24 H new ATOM 0 HE1 PHE A 55 -9.725 -2.522 -6.407 1.00 5.27 H new ATOM 0 HE2 PHE A 55 -9.956 -4.594 -2.695 1.00 4.63 H new ATOM 0 HZ PHE A 55 -10.173 -4.577 -5.144 1.00 5.13 H new ATOM 830 N ILE A 56 -7.183 2.587 -2.507 1.00 4.24 N ATOM 831 CA ILE A 56 -6.868 3.885 -1.929 1.00 4.10 C ATOM 832 C ILE A 56 -8.109 4.388 -1.185 1.00 3.68 C ATOM 833 O ILE A 56 -9.246 4.050 -1.553 1.00 3.75 O ATOM 834 CB ILE A 56 -6.425 4.896 -3.064 1.00 4.78 C ATOM 835 CG1 ILE A 56 -5.380 5.961 -2.587 1.00 4.73 C ATOM 836 CG2 ILE A 56 -7.614 5.567 -3.768 1.00 5.23 C ATOM 837 CD1 ILE A 56 -5.820 6.946 -1.519 1.00 4.53 C ATOM 0 H ILE A 56 -7.555 2.620 -3.456 1.00 4.24 H new ATOM 0 HA ILE A 56 -6.036 3.801 -1.229 1.00 4.10 H new ATOM 0 HB ILE A 56 -5.919 4.271 -3.800 1.00 4.78 H new ATOM 0 HG12 ILE A 56 -4.505 5.429 -2.214 1.00 4.73 H new ATOM 0 HG13 ILE A 56 -5.059 6.531 -3.459 1.00 4.73 H new ATOM 0 HG21 ILE A 56 -7.245 6.248 -4.535 1.00 5.23 H new ATOM 0 HG22 ILE A 56 -8.241 4.804 -4.231 1.00 5.23 H new ATOM 0 HG23 ILE A 56 -8.201 6.125 -3.039 1.00 5.23 H new ATOM 0 HD11 ILE A 56 -4.997 7.622 -1.287 1.00 4.53 H new ATOM 0 HD12 ILE A 56 -6.671 7.521 -1.883 1.00 4.53 H new ATOM 0 HD13 ILE A 56 -6.108 6.402 -0.619 1.00 4.53 H new ATOM 849 N CYS A 57 -7.912 5.133 -0.135 1.00 3.44 N ATOM 850 CA CYS A 57 -9.015 5.661 0.607 1.00 3.38 C ATOM 851 C CYS A 57 -9.654 6.851 -0.110 1.00 3.93 C ATOM 852 O CYS A 57 -9.357 8.020 0.184 1.00 4.21 O ATOM 853 CB CYS A 57 -8.627 5.989 2.055 1.00 3.28 C ATOM 854 SG CYS A 57 -7.218 7.103 2.209 1.00 4.03 S ATOM 0 H CYS A 57 -6.993 5.388 0.226 1.00 3.44 H new ATOM 0 HA CYS A 57 -9.774 4.881 0.662 1.00 3.38 H new ATOM 0 HB2 CYS A 57 -9.485 6.436 2.557 1.00 3.28 H new ATOM 0 HB3 CYS A 57 -8.400 5.060 2.578 1.00 3.28 H new ATOM 0 HG CYS A 57 -7.386 8.126 1.424 1.00 4.03 H new ATOM 860 N THR A 58 -10.437 6.528 -1.126 1.00 4.31 N ATOM 861 CA THR A 58 -11.231 7.492 -1.871 1.00 5.03 C ATOM 862 C THR A 58 -12.235 8.208 -0.957 1.00 5.13 C ATOM 863 O THR A 58 -12.621 9.340 -1.207 1.00 5.79 O ATOM 864 CB THR A 58 -12.021 6.782 -2.997 1.00 5.61 C ATOM 865 OG1 THR A 58 -12.746 5.669 -2.451 1.00 6.01 O ATOM 866 CG2 THR A 58 -11.097 6.287 -4.102 1.00 5.89 C ATOM 0 H THR A 58 -10.541 5.571 -1.463 1.00 4.31 H new ATOM 0 HA THR A 58 -10.542 8.222 -2.295 1.00 5.03 H new ATOM 0 HB THR A 58 -12.712 7.506 -3.428 1.00 5.61 H new ATOM 0 HG1 THR A 58 -13.247 5.222 -3.165 1.00 6.01 H new ATOM 0 HG21 THR A 58 -11.686 5.794 -4.875 1.00 5.89 H new ATOM 0 HG22 THR A 58 -10.563 7.133 -4.536 1.00 5.89 H new ATOM 0 HG23 THR A 58 -10.379 5.580 -3.686 1.00 5.89 H new ATOM 874 N THR A 59 -12.628 7.549 0.103 1.00 4.66 N ATOM 875 CA THR A 59 -13.607 8.076 1.014 1.00 4.98 C ATOM 876 C THR A 59 -13.188 7.640 2.437 1.00 4.60 C ATOM 877 O THR A 59 -12.252 6.832 2.581 1.00 4.34 O ATOM 878 CB THR A 59 -15.028 7.531 0.626 1.00 5.47 C ATOM 879 OG1 THR A 59 -15.214 7.713 -0.789 1.00 6.19 O ATOM 880 CG2 THR A 59 -16.151 8.295 1.337 1.00 5.90 C ATOM 0 H THR A 59 -12.275 6.627 0.358 1.00 4.66 H new ATOM 0 HA THR A 59 -13.659 9.164 0.971 1.00 4.98 H new ATOM 0 HB THR A 59 -15.074 6.482 0.920 1.00 5.47 H new ATOM 0 HG1 THR A 59 -16.097 7.376 -1.049 1.00 6.19 H new ATOM 0 HG21 THR A 59 -17.116 7.884 1.039 1.00 5.90 H new ATOM 0 HG22 THR A 59 -16.032 8.196 2.416 1.00 5.90 H new ATOM 0 HG23 THR A 59 -16.105 9.349 1.062 1.00 5.90 H new ATOM 888 N SER A 60 -13.868 8.130 3.464 1.00 4.93 N ATOM 889 CA SER A 60 -13.492 7.890 4.848 1.00 5.08 C ATOM 890 C SER A 60 -13.871 6.463 5.339 1.00 4.91 C ATOM 891 O SER A 60 -13.914 6.220 6.540 1.00 5.44 O ATOM 892 CB SER A 60 -14.234 8.921 5.682 1.00 5.82 C ATOM 893 OG SER A 60 -14.122 10.206 5.078 1.00 6.47 O ATOM 0 H SER A 60 -14.701 8.709 3.358 1.00 4.93 H new ATOM 0 HA SER A 60 -12.409 7.970 4.944 1.00 5.08 H new ATOM 0 HB2 SER A 60 -15.284 8.642 5.771 1.00 5.82 H new ATOM 0 HB3 SER A 60 -13.824 8.947 6.692 1.00 5.82 H new ATOM 0 HG SER A 60 -14.604 10.865 5.620 1.00 6.47 H new ATOM 899 N GLU A 61 -14.118 5.531 4.390 1.00 4.39 N ATOM 900 CA GLU A 61 -14.579 4.124 4.651 1.00 4.24 C ATOM 901 C GLU A 61 -15.964 4.106 5.297 1.00 4.81 C ATOM 902 O GLU A 61 -16.908 3.590 4.731 1.00 4.86 O ATOM 903 CB GLU A 61 -13.616 3.320 5.538 1.00 4.06 C ATOM 904 CG GLU A 61 -14.060 1.857 5.715 1.00 4.21 C ATOM 905 CD GLU A 61 -13.373 1.121 6.847 1.00 4.27 C ATOM 906 OE1 GLU A 61 -12.191 0.792 6.727 1.00 4.60 O ATOM 907 OE2 GLU A 61 -14.053 0.862 7.880 1.00 4.34 O ATOM 0 H GLU A 61 -14.004 5.728 3.396 1.00 4.39 H new ATOM 0 HA GLU A 61 -14.611 3.649 3.671 1.00 4.24 H new ATOM 0 HB2 GLU A 61 -12.618 3.343 5.099 1.00 4.06 H new ATOM 0 HB3 GLU A 61 -13.545 3.796 6.516 1.00 4.06 H new ATOM 0 HG2 GLU A 61 -15.136 1.836 5.886 1.00 4.21 H new ATOM 0 HG3 GLU A 61 -13.875 1.320 4.785 1.00 4.21 H new ATOM 914 N VAL A 62 -16.067 4.679 6.474 1.00 5.34 N ATOM 915 CA VAL A 62 -17.285 4.720 7.247 1.00 6.05 C ATOM 916 C VAL A 62 -18.412 5.363 6.474 1.00 6.40 C ATOM 917 O VAL A 62 -19.506 4.921 6.543 1.00 6.81 O ATOM 918 CB VAL A 62 -17.062 5.409 8.609 1.00 6.66 C ATOM 919 CG1 VAL A 62 -18.340 5.481 9.406 1.00 7.23 C ATOM 920 CG2 VAL A 62 -16.020 4.635 9.388 1.00 7.09 C ATOM 0 H VAL A 62 -15.283 5.143 6.932 1.00 5.34 H new ATOM 0 HA VAL A 62 -17.581 3.690 7.448 1.00 6.05 H new ATOM 0 HB VAL A 62 -16.722 6.429 8.430 1.00 6.66 H new ATOM 0 HG11 VAL A 62 -18.147 5.972 10.360 1.00 7.23 H new ATOM 0 HG12 VAL A 62 -19.085 6.050 8.849 1.00 7.23 H new ATOM 0 HG13 VAL A 62 -18.714 4.473 9.586 1.00 7.23 H new ATOM 0 HG21 VAL A 62 -15.856 5.115 10.353 1.00 7.09 H new ATOM 0 HG22 VAL A 62 -16.367 3.614 9.545 1.00 7.09 H new ATOM 0 HG23 VAL A 62 -15.085 4.618 8.828 1.00 7.09 H new ATOM 930 N LYS A 63 -18.109 6.372 5.683 1.00 6.35 N ATOM 931 CA LYS A 63 -19.122 7.014 4.867 1.00 6.86 C ATOM 932 C LYS A 63 -19.632 6.105 3.759 1.00 6.61 C ATOM 933 O LYS A 63 -20.795 6.183 3.323 1.00 7.11 O ATOM 934 CB LYS A 63 -18.655 8.404 4.416 1.00 7.01 C ATOM 935 CG LYS A 63 -19.177 9.497 5.348 1.00 7.83 C ATOM 936 CD LYS A 63 -18.800 9.179 6.783 1.00 8.08 C ATOM 937 CE LYS A 63 -19.533 10.090 7.800 1.00 8.93 C ATOM 938 NZ LYS A 63 -21.022 9.957 7.742 1.00 9.36 N ATOM 0 H LYS A 63 -17.173 6.765 5.587 1.00 6.35 H new ATOM 0 HA LYS A 63 -20.008 7.192 5.477 1.00 6.86 H new ATOM 0 HB2 LYS A 63 -17.566 8.434 4.392 1.00 7.01 H new ATOM 0 HB3 LYS A 63 -19.001 8.594 3.400 1.00 7.01 H new ATOM 0 HG2 LYS A 63 -18.761 10.462 5.059 1.00 7.83 H new ATOM 0 HG3 LYS A 63 -20.260 9.577 5.257 1.00 7.83 H new ATOM 0 HD2 LYS A 63 -19.037 8.137 6.996 1.00 8.08 H new ATOM 0 HD3 LYS A 63 -17.723 9.293 6.907 1.00 8.08 H new ATOM 0 HE2 LYS A 63 -19.192 9.848 8.807 1.00 8.93 H new ATOM 0 HE3 LYS A 63 -19.260 11.128 7.611 1.00 8.93 H new ATOM 0 HZ1 LYS A 63 -21.452 10.539 8.489 1.00 9.36 H new ATOM 0 HZ2 LYS A 63 -21.363 10.278 6.814 1.00 9.36 H new ATOM 0 HZ3 LYS A 63 -21.287 8.961 7.883 1.00 9.36 H new ATOM 952 N CYS A 64 -18.807 5.211 3.386 1.00 5.90 N ATOM 953 CA CYS A 64 -19.172 4.200 2.417 1.00 5.63 C ATOM 954 C CYS A 64 -20.017 3.168 3.147 1.00 5.60 C ATOM 955 O CYS A 64 -21.012 2.678 2.633 1.00 5.71 O ATOM 956 CB CYS A 64 -17.921 3.541 1.849 1.00 4.97 C ATOM 957 SG CYS A 64 -16.716 4.690 1.152 1.00 4.95 S ATOM 0 H CYS A 64 -17.850 5.139 3.731 1.00 5.90 H new ATOM 0 HA CYS A 64 -19.725 4.641 1.587 1.00 5.63 H new ATOM 0 HB2 CYS A 64 -17.439 2.965 2.639 1.00 4.97 H new ATOM 0 HB3 CYS A 64 -18.219 2.834 1.075 1.00 4.97 H new ATOM 0 HG CYS A 64 -15.809 4.961 2.043 1.00 4.95 H new ATOM 963 N ARG A 65 -19.603 2.899 4.387 1.00 5.62 N ATOM 964 CA ARG A 65 -20.264 1.964 5.281 1.00 5.84 C ATOM 965 C ARG A 65 -21.671 2.416 5.628 1.00 6.60 C ATOM 966 O ARG A 65 -22.576 1.589 5.699 1.00 6.69 O ATOM 967 CB ARG A 65 -19.414 1.718 6.532 1.00 5.99 C ATOM 968 CG ARG A 65 -18.124 1.030 6.235 1.00 5.98 C ATOM 969 CD ARG A 65 -17.219 0.993 7.453 1.00 6.32 C ATOM 970 NE ARG A 65 -17.841 0.455 8.662 1.00 6.70 N ATOM 971 CZ ARG A 65 -17.141 0.158 9.779 1.00 7.13 C ATOM 972 NH1 ARG A 65 -15.801 0.216 9.780 1.00 7.25 N ATOM 973 NH2 ARG A 65 -17.770 -0.226 10.878 1.00 7.69 N ATOM 0 H ARG A 65 -18.780 3.338 4.800 1.00 5.62 H new ATOM 0 HA ARG A 65 -20.365 1.013 4.758 1.00 5.84 H new ATOM 0 HB2 ARG A 65 -19.207 2.672 7.017 1.00 5.99 H new ATOM 0 HB3 ARG A 65 -19.985 1.117 7.240 1.00 5.99 H new ATOM 0 HG2 ARG A 65 -18.322 0.013 5.897 1.00 5.98 H new ATOM 0 HG3 ARG A 65 -17.616 1.544 5.419 1.00 5.98 H new ATOM 0 HD2 ARG A 65 -16.339 0.394 7.217 1.00 6.32 H new ATOM 0 HD3 ARG A 65 -16.870 2.005 7.660 1.00 6.32 H new ATOM 0 HE ARG A 65 -18.849 0.297 8.662 1.00 6.70 H new ATOM 0 HH11 ARG A 65 -15.302 0.486 8.933 1.00 7.25 H new ATOM 0 HH12 ARG A 65 -15.281 -0.010 10.628 1.00 7.25 H new ATOM 0 HH21 ARG A 65 -18.787 -0.299 10.884 1.00 7.69 H new ATOM 0 HH22 ARG A 65 -17.237 -0.449 11.719 1.00 7.69 H new ATOM 987 N GLU A 66 -21.846 3.728 5.814 1.00 7.20 N ATOM 988 CA GLU A 66 -23.169 4.332 6.081 1.00 8.03 C ATOM 989 C GLU A 66 -24.113 3.861 4.991 1.00 8.03 C ATOM 990 O GLU A 66 -25.164 3.246 5.243 1.00 8.42 O ATOM 991 CB GLU A 66 -23.095 5.864 5.939 1.00 8.67 C ATOM 992 CG GLU A 66 -21.972 6.572 6.678 1.00 8.45 C ATOM 993 CD GLU A 66 -22.146 6.741 8.162 1.00 9.17 C ATOM 994 OE1 GLU A 66 -21.901 5.807 8.918 1.00 9.78 O ATOM 995 OE2 GLU A 66 -22.480 7.869 8.582 1.00 9.24 O ATOM 0 H GLU A 66 -21.083 4.404 5.785 1.00 7.20 H new ATOM 0 HA GLU A 66 -23.493 4.053 7.084 1.00 8.03 H new ATOM 0 HB2 GLU A 66 -23.006 6.102 4.879 1.00 8.67 H new ATOM 0 HB3 GLU A 66 -24.042 6.282 6.281 1.00 8.67 H new ATOM 0 HG2 GLU A 66 -21.048 6.020 6.504 1.00 8.45 H new ATOM 0 HG3 GLU A 66 -21.842 7.560 6.235 1.00 8.45 H new ATOM 1002 N HIS A 67 -23.695 4.113 3.762 1.00 7.64 N ATOM 1003 CA HIS A 67 -24.506 3.791 2.620 1.00 7.74 C ATOM 1004 C HIS A 67 -24.482 2.281 2.322 1.00 7.19 C ATOM 1005 O HIS A 67 -25.346 1.766 1.613 1.00 7.42 O ATOM 1006 CB HIS A 67 -24.088 4.636 1.394 1.00 7.65 C ATOM 1007 CG HIS A 67 -24.903 4.386 0.166 1.00 7.96 C ATOM 1008 ND1 HIS A 67 -26.026 5.115 -0.183 1.00 8.79 N ATOM 1009 CD2 HIS A 67 -24.747 3.468 -0.795 1.00 7.62 C ATOM 1010 CE1 HIS A 67 -26.515 4.639 -1.309 1.00 8.97 C ATOM 1011 NE2 HIS A 67 -25.748 3.640 -1.699 1.00 8.28 N ATOM 0 H HIS A 67 -22.796 4.540 3.538 1.00 7.64 H new ATOM 0 HA HIS A 67 -25.540 4.047 2.853 1.00 7.74 H new ATOM 0 HB2 HIS A 67 -24.160 5.692 1.654 1.00 7.65 H new ATOM 0 HB3 HIS A 67 -23.041 4.434 1.168 1.00 7.65 H new ATOM 0 HD2 HIS A 67 -23.966 2.724 -0.844 1.00 7.62 H new ATOM 0 HE1 HIS A 67 -27.392 5.003 -1.824 1.00 8.97 H new ATOM 0 HE2 HIS A 67 -25.884 3.085 -2.544 1.00 8.28 H new ATOM 1020 N ALA A 68 -23.525 1.581 2.865 1.00 6.53 N ATOM 1021 CA ALA A 68 -23.439 0.161 2.655 1.00 6.01 C ATOM 1022 C ALA A 68 -24.432 -0.543 3.520 1.00 6.43 C ATOM 1023 O ALA A 68 -25.082 -1.467 3.067 1.00 6.43 O ATOM 1024 CB ALA A 68 -22.061 -0.364 2.911 1.00 5.28 C ATOM 0 H ALA A 68 -22.792 1.971 3.458 1.00 6.53 H new ATOM 0 HA ALA A 68 -23.668 -0.032 1.607 1.00 6.01 H new ATOM 0 HB1 ALA A 68 -22.044 -1.440 2.740 1.00 5.28 H new ATOM 0 HB2 ALA A 68 -21.356 0.122 2.237 1.00 5.28 H new ATOM 0 HB3 ALA A 68 -21.778 -0.156 3.943 1.00 5.28 H new ATOM 1030 N GLU A 69 -24.588 -0.085 4.766 1.00 6.88 N ATOM 1031 CA GLU A 69 -25.578 -0.671 5.659 1.00 7.44 C ATOM 1032 C GLU A 69 -26.991 -0.331 5.162 1.00 8.10 C ATOM 1033 O GLU A 69 -27.974 -0.957 5.537 1.00 8.50 O ATOM 1034 CB GLU A 69 -25.367 -0.225 7.112 1.00 7.93 C ATOM 1035 CG GLU A 69 -24.002 -0.604 7.658 1.00 7.64 C ATOM 1036 CD GLU A 69 -23.849 -0.306 9.134 1.00 7.66 C ATOM 1037 OE1 GLU A 69 -23.501 0.838 9.477 1.00 7.77 O ATOM 1038 OE2 GLU A 69 -24.102 -1.192 9.964 1.00 7.78 O ATOM 0 H GLU A 69 -24.047 0.679 5.170 1.00 6.88 H new ATOM 0 HA GLU A 69 -25.456 -1.754 5.647 1.00 7.44 H new ATOM 0 HB2 GLU A 69 -25.490 0.856 7.176 1.00 7.93 H new ATOM 0 HB3 GLU A 69 -26.139 -0.671 7.739 1.00 7.93 H new ATOM 0 HG2 GLU A 69 -23.832 -1.667 7.489 1.00 7.64 H new ATOM 0 HG3 GLU A 69 -23.233 -0.066 7.103 1.00 7.64 H new ATOM 1045 N ALA A 70 -27.044 0.670 4.292 1.00 8.29 N ATOM 1046 CA ALA A 70 -28.267 1.080 3.627 1.00 8.98 C ATOM 1047 C ALA A 70 -28.678 0.093 2.503 1.00 8.74 C ATOM 1048 O ALA A 70 -29.828 0.121 2.041 1.00 9.31 O ATOM 1049 CB ALA A 70 -28.075 2.464 3.029 1.00 9.41 C ATOM 0 H ALA A 70 -26.229 1.223 4.028 1.00 8.29 H new ATOM 0 HA ALA A 70 -29.062 1.089 4.372 1.00 8.98 H new ATOM 0 HB1 ALA A 70 -28.992 2.775 2.529 1.00 9.41 H new ATOM 0 HB2 ALA A 70 -27.836 3.173 3.822 1.00 9.41 H new ATOM 0 HB3 ALA A 70 -27.259 2.438 2.307 1.00 9.41 H new ATOM 1055 N LYS A 71 -27.736 -0.742 2.034 1.00 7.94 N ATOM 1056 CA LYS A 71 -28.014 -1.692 0.934 1.00 7.72 C ATOM 1057 C LYS A 71 -27.328 -3.053 1.160 1.00 7.00 C ATOM 1058 O LYS A 71 -27.929 -3.978 1.685 1.00 7.10 O ATOM 1059 CB LYS A 71 -27.576 -1.114 -0.445 1.00 7.70 C ATOM 1060 CG LYS A 71 -28.305 0.139 -0.862 1.00 8.55 C ATOM 1061 CD LYS A 71 -29.788 -0.141 -1.087 1.00 9.28 C ATOM 1062 CE LYS A 71 -30.549 1.124 -1.382 1.00 10.04 C ATOM 1063 NZ LYS A 71 -30.450 2.080 -0.260 1.00 10.32 N ATOM 0 H LYS A 71 -26.782 -0.782 2.393 1.00 7.94 H new ATOM 0 HA LYS A 71 -29.093 -1.845 0.928 1.00 7.72 H new ATOM 0 HB2 LYS A 71 -26.507 -0.903 -0.412 1.00 7.70 H new ATOM 0 HB3 LYS A 71 -27.727 -1.877 -1.208 1.00 7.70 H new ATOM 0 HG2 LYS A 71 -28.188 0.905 -0.095 1.00 8.55 H new ATOM 0 HG3 LYS A 71 -27.863 0.534 -1.777 1.00 8.55 H new ATOM 0 HD2 LYS A 71 -29.906 -0.840 -1.915 1.00 9.28 H new ATOM 0 HD3 LYS A 71 -30.207 -0.621 -0.203 1.00 9.28 H new ATOM 0 HE2 LYS A 71 -30.159 1.583 -2.290 1.00 10.04 H new ATOM 0 HE3 LYS A 71 -31.596 0.886 -1.570 1.00 10.04 H new ATOM 0 HZ1 LYS A 71 -31.350 2.591 -0.159 1.00 10.32 H new ATOM 0 HZ2 LYS A 71 -30.245 1.564 0.619 1.00 10.32 H new ATOM 0 HZ3 LYS A 71 -29.685 2.759 -0.449 1.00 10.32 H new ATOM 1077 N HIS A 72 -26.039 -3.127 0.772 1.00 6.33 N ATOM 1078 CA HIS A 72 -25.157 -4.344 0.877 1.00 5.62 C ATOM 1079 C HIS A 72 -25.836 -5.689 0.422 1.00 5.65 C ATOM 1080 O HIS A 72 -25.620 -6.727 1.062 1.00 5.60 O ATOM 1081 CB HIS A 72 -24.555 -4.495 2.316 1.00 5.47 C ATOM 1082 CG HIS A 72 -25.551 -4.829 3.432 1.00 6.14 C ATOM 1083 ND1 HIS A 72 -25.863 -6.120 3.799 1.00 6.44 N ATOM 1084 CD2 HIS A 72 -26.282 -4.033 4.254 1.00 6.81 C ATOM 1085 CE1 HIS A 72 -26.732 -6.100 4.786 1.00 7.21 C ATOM 1086 NE2 HIS A 72 -27.004 -4.848 5.080 1.00 7.47 N ATOM 0 H HIS A 72 -25.554 -2.328 0.363 1.00 6.33 H new ATOM 0 HA HIS A 72 -24.352 -4.162 0.165 1.00 5.62 H new ATOM 0 HB2 HIS A 72 -23.795 -5.276 2.290 1.00 5.47 H new ATOM 0 HB3 HIS A 72 -24.048 -3.565 2.575 1.00 5.47 H new ATOM 0 HD1 HIS A 72 -25.479 -6.962 3.371 1.00 6.44 H new ATOM 0 HD2 HIS A 72 -26.291 -2.953 4.255 1.00 6.81 H new ATOM 0 HE1 HIS A 72 -27.152 -6.967 5.274 1.00 7.21 H new ATOM 1095 N PRO A 73 -26.594 -5.726 -0.716 1.00 5.90 N ATOM 1096 CA PRO A 73 -27.291 -6.943 -1.130 1.00 6.06 C ATOM 1097 C PRO A 73 -26.328 -7.998 -1.642 1.00 5.49 C ATOM 1098 O PRO A 73 -26.319 -9.138 -1.181 1.00 5.49 O ATOM 1099 CB PRO A 73 -28.246 -6.475 -2.247 1.00 6.60 C ATOM 1100 CG PRO A 73 -28.171 -4.983 -2.232 1.00 6.81 C ATOM 1101 CD PRO A 73 -26.825 -4.644 -1.676 1.00 6.21 C ATOM 0 HA PRO A 73 -27.816 -7.413 -0.299 1.00 6.06 H new ATOM 0 HB2 PRO A 73 -27.944 -6.874 -3.215 1.00 6.60 H new ATOM 0 HB3 PRO A 73 -29.264 -6.819 -2.064 1.00 6.60 H new ATOM 0 HG2 PRO A 73 -28.292 -4.576 -3.236 1.00 6.81 H new ATOM 0 HG3 PRO A 73 -28.965 -4.558 -1.618 1.00 6.81 H new ATOM 0 HD2 PRO A 73 -26.060 -4.621 -2.452 1.00 6.21 H new ATOM 0 HD3 PRO A 73 -26.820 -3.666 -1.194 1.00 6.21 H new ATOM 1109 N LYS A 74 -25.516 -7.598 -2.562 1.00 5.12 N ATOM 1110 CA LYS A 74 -24.576 -8.447 -3.168 1.00 4.75 C ATOM 1111 C LYS A 74 -23.444 -7.589 -3.681 1.00 4.46 C ATOM 1112 O LYS A 74 -23.671 -6.629 -4.417 1.00 4.75 O ATOM 1113 CB LYS A 74 -25.241 -9.189 -4.342 1.00 5.23 C ATOM 1114 CG LYS A 74 -24.292 -10.039 -5.177 1.00 5.74 C ATOM 1115 CD LYS A 74 -23.758 -11.280 -4.437 1.00 6.36 C ATOM 1116 CE LYS A 74 -24.865 -12.315 -4.173 1.00 6.91 C ATOM 1117 NZ LYS A 74 -24.343 -13.556 -3.549 1.00 7.32 N ATOM 0 H LYS A 74 -25.496 -6.641 -2.916 1.00 5.12 H new ATOM 0 HA LYS A 74 -24.202 -9.182 -2.455 1.00 4.75 H new ATOM 0 HB2 LYS A 74 -26.030 -9.830 -3.949 1.00 5.23 H new ATOM 0 HB3 LYS A 74 -25.719 -8.457 -4.993 1.00 5.23 H new ATOM 0 HG2 LYS A 74 -24.807 -10.360 -6.082 1.00 5.74 H new ATOM 0 HG3 LYS A 74 -23.449 -9.424 -5.492 1.00 5.74 H new ATOM 0 HD2 LYS A 74 -22.965 -11.740 -5.026 1.00 6.36 H new ATOM 0 HD3 LYS A 74 -23.314 -10.974 -3.489 1.00 6.36 H new ATOM 0 HE2 LYS A 74 -25.622 -11.876 -3.523 1.00 6.91 H new ATOM 0 HE3 LYS A 74 -25.358 -12.564 -5.113 1.00 6.91 H new ATOM 0 HZ1 LYS A 74 -25.127 -14.221 -3.391 1.00 7.32 H new ATOM 0 HZ2 LYS A 74 -23.640 -13.992 -4.179 1.00 7.32 H new ATOM 0 HZ3 LYS A 74 -23.896 -13.325 -2.639 1.00 7.32 H new ATOM 1131 N ALA A 75 -22.274 -7.869 -3.227 1.00 4.19 N ATOM 1132 CA ALA A 75 -21.099 -7.243 -3.782 1.00 4.02 C ATOM 1133 C ALA A 75 -20.613 -8.106 -4.946 1.00 4.43 C ATOM 1134 O ALA A 75 -20.339 -9.283 -4.767 1.00 4.52 O ATOM 1135 CB ALA A 75 -20.020 -7.060 -2.724 1.00 3.36 C ATOM 0 H ALA A 75 -22.092 -8.528 -2.470 1.00 4.19 H new ATOM 0 HA ALA A 75 -21.340 -6.244 -4.144 1.00 4.02 H new ATOM 0 HB1 ALA A 75 -19.147 -6.586 -3.173 1.00 3.36 H new ATOM 0 HB2 ALA A 75 -20.402 -6.431 -1.920 1.00 3.36 H new ATOM 0 HB3 ALA A 75 -19.737 -8.032 -2.320 1.00 3.36 H new ATOM 1141 N ASP A 76 -20.554 -7.526 -6.124 1.00 5.01 N ATOM 1142 CA ASP A 76 -20.260 -8.277 -7.353 1.00 5.63 C ATOM 1143 C ASP A 76 -18.791 -8.185 -7.729 1.00 5.81 C ATOM 1144 O ASP A 76 -17.973 -8.971 -7.284 1.00 5.63 O ATOM 1145 CB ASP A 76 -21.109 -7.739 -8.504 1.00 6.39 C ATOM 1146 CG ASP A 76 -22.589 -7.778 -8.217 1.00 6.62 C ATOM 1147 OD1 ASP A 76 -23.094 -6.827 -7.568 1.00 6.82 O ATOM 1148 OD2 ASP A 76 -23.254 -8.735 -8.617 1.00 6.80 O ATOM 0 H ASP A 76 -20.705 -6.528 -6.271 1.00 5.01 H new ATOM 0 HA ASP A 76 -20.500 -9.324 -7.166 1.00 5.63 H new ATOM 0 HB2 ASP A 76 -20.813 -6.712 -8.716 1.00 6.39 H new ATOM 0 HB3 ASP A 76 -20.904 -8.322 -9.402 1.00 6.39 H new ATOM 1153 N VAL A 77 -18.451 -7.184 -8.532 1.00 6.30 N ATOM 1154 CA VAL A 77 -17.067 -6.947 -8.910 1.00 6.58 C ATOM 1155 C VAL A 77 -16.420 -6.078 -7.853 1.00 5.93 C ATOM 1156 O VAL A 77 -15.211 -5.913 -7.795 1.00 6.00 O ATOM 1157 CB VAL A 77 -16.941 -6.289 -10.314 1.00 7.48 C ATOM 1158 CG1 VAL A 77 -17.519 -7.209 -11.389 1.00 8.15 C ATOM 1159 CG2 VAL A 77 -17.641 -4.939 -10.346 1.00 7.55 C ATOM 0 H VAL A 77 -19.117 -6.524 -8.933 1.00 6.30 H new ATOM 0 HA VAL A 77 -16.556 -7.908 -8.974 1.00 6.58 H new ATOM 0 HB VAL A 77 -15.882 -6.131 -10.519 1.00 7.48 H new ATOM 0 HG11 VAL A 77 -17.423 -6.733 -12.365 1.00 8.15 H new ATOM 0 HG12 VAL A 77 -16.975 -8.154 -11.390 1.00 8.15 H new ATOM 0 HG13 VAL A 77 -18.572 -7.397 -11.179 1.00 8.15 H new ATOM 0 HG21 VAL A 77 -17.539 -4.499 -11.338 1.00 7.55 H new ATOM 0 HG22 VAL A 77 -18.698 -5.072 -10.115 1.00 7.55 H new ATOM 0 HG23 VAL A 77 -17.189 -4.277 -9.607 1.00 7.55 H new ATOM 1169 N VAL A 78 -17.277 -5.539 -7.003 1.00 5.38 N ATOM 1170 CA VAL A 78 -16.887 -4.727 -5.871 1.00 4.74 C ATOM 1171 C VAL A 78 -16.841 -5.601 -4.630 1.00 4.00 C ATOM 1172 O VAL A 78 -16.724 -5.112 -3.519 1.00 3.42 O ATOM 1173 CB VAL A 78 -17.881 -3.557 -5.640 1.00 4.78 C ATOM 1174 CG1 VAL A 78 -17.974 -2.669 -6.876 1.00 5.65 C ATOM 1175 CG2 VAL A 78 -19.254 -4.088 -5.262 1.00 4.70 C ATOM 0 H VAL A 78 -18.287 -5.659 -7.086 1.00 5.38 H new ATOM 0 HA VAL A 78 -15.906 -4.299 -6.076 1.00 4.74 H new ATOM 0 HB VAL A 78 -17.505 -2.952 -4.815 1.00 4.78 H new ATOM 0 HG11 VAL A 78 -18.677 -1.857 -6.689 1.00 5.65 H new ATOM 0 HG12 VAL A 78 -16.991 -2.254 -7.101 1.00 5.65 H new ATOM 0 HG13 VAL A 78 -18.321 -3.260 -7.724 1.00 5.65 H new ATOM 0 HG21 VAL A 78 -19.936 -3.253 -5.104 1.00 4.70 H new ATOM 0 HG22 VAL A 78 -19.633 -4.720 -6.065 1.00 4.70 H new ATOM 0 HG23 VAL A 78 -19.178 -4.673 -4.345 1.00 4.70 H new ATOM 1185 N ALA A 79 -16.902 -6.919 -4.844 1.00 4.18 N ATOM 1186 CA ALA A 79 -16.815 -7.916 -3.751 1.00 3.76 C ATOM 1187 C ALA A 79 -15.442 -7.874 -3.081 1.00 3.69 C ATOM 1188 O ALA A 79 -15.179 -8.583 -2.115 1.00 3.56 O ATOM 1189 CB ALA A 79 -17.112 -9.310 -4.273 1.00 4.24 C ATOM 0 H ALA A 79 -17.012 -7.332 -5.770 1.00 4.18 H new ATOM 0 HA ALA A 79 -17.565 -7.662 -3.002 1.00 3.76 H new ATOM 0 HB1 ALA A 79 -17.043 -10.027 -3.455 1.00 4.24 H new ATOM 0 HB2 ALA A 79 -18.117 -9.335 -4.693 1.00 4.24 H new ATOM 0 HB3 ALA A 79 -16.389 -9.571 -5.046 1.00 4.24 H new ATOM 1195 N CYS A 80 -14.588 -7.042 -3.620 1.00 4.00 N ATOM 1196 CA CYS A 80 -13.290 -6.785 -3.088 1.00 4.07 C ATOM 1197 C CYS A 80 -13.413 -5.980 -1.794 1.00 3.33 C ATOM 1198 O CYS A 80 -12.561 -6.061 -0.921 1.00 3.38 O ATOM 1199 CB CYS A 80 -12.476 -6.056 -4.128 1.00 4.73 C ATOM 1200 SG CYS A 80 -13.279 -4.549 -4.751 1.00 5.60 S ATOM 0 H CYS A 80 -14.791 -6.512 -4.468 1.00 4.00 H new ATOM 0 HA CYS A 80 -12.783 -7.718 -2.845 1.00 4.07 H new ATOM 0 HB2 CYS A 80 -11.508 -5.793 -3.702 1.00 4.73 H new ATOM 0 HB3 CYS A 80 -12.284 -6.728 -4.964 1.00 4.73 H new ATOM 0 HG CYS A 80 -12.381 -3.630 -4.952 1.00 5.60 H new ATOM 1206 N PHE A 81 -14.469 -5.197 -1.693 1.00 2.86 N ATOM 1207 CA PHE A 81 -14.790 -4.526 -0.460 1.00 2.27 C ATOM 1208 C PHE A 81 -16.287 -4.234 -0.482 1.00 2.17 C ATOM 1209 O PHE A 81 -16.731 -3.217 -1.015 1.00 2.52 O ATOM 1210 CB PHE A 81 -13.946 -3.244 -0.228 1.00 2.41 C ATOM 1211 CG PHE A 81 -13.918 -2.789 1.224 1.00 3.01 C ATOM 1212 CD1 PHE A 81 -13.245 -3.538 2.166 1.00 3.67 C ATOM 1213 CD2 PHE A 81 -14.561 -1.637 1.639 1.00 3.50 C ATOM 1214 CE1 PHE A 81 -13.202 -3.144 3.492 1.00 4.68 C ATOM 1215 CE2 PHE A 81 -14.530 -1.238 2.961 1.00 4.57 C ATOM 1216 CZ PHE A 81 -13.853 -1.993 3.889 1.00 5.13 C ATOM 0 H PHE A 81 -15.119 -5.013 -2.457 1.00 2.86 H new ATOM 0 HA PHE A 81 -14.539 -5.170 0.383 1.00 2.27 H new ATOM 0 HB2 PHE A 81 -12.925 -3.426 -0.563 1.00 2.41 H new ATOM 0 HB3 PHE A 81 -14.346 -2.439 -0.845 1.00 2.41 H new ATOM 0 HD1 PHE A 81 -12.744 -4.446 1.864 1.00 3.67 H new ATOM 0 HD2 PHE A 81 -15.097 -1.039 0.917 1.00 3.50 H new ATOM 0 HE1 PHE A 81 -12.660 -3.736 4.215 1.00 4.68 H new ATOM 0 HE2 PHE A 81 -15.037 -0.334 3.265 1.00 4.57 H new ATOM 0 HZ PHE A 81 -13.830 -1.687 4.925 1.00 5.13 H new ATOM 1226 N PRO A 82 -17.100 -5.170 0.083 1.00 2.09 N ATOM 1227 CA PRO A 82 -18.599 -5.137 0.028 1.00 2.39 C ATOM 1228 C PRO A 82 -19.238 -3.934 0.735 1.00 2.74 C ATOM 1229 O PRO A 82 -20.455 -3.860 0.882 1.00 3.27 O ATOM 1230 CB PRO A 82 -19.014 -6.450 0.720 1.00 2.47 C ATOM 1231 CG PRO A 82 -17.774 -7.303 0.752 1.00 2.41 C ATOM 1232 CD PRO A 82 -16.614 -6.358 0.809 1.00 2.19 C ATOM 0 HA PRO A 82 -18.940 -5.039 -1.003 1.00 2.39 H new ATOM 0 HB2 PRO A 82 -19.386 -6.261 1.727 1.00 2.47 H new ATOM 0 HB3 PRO A 82 -19.816 -6.945 0.172 1.00 2.47 H new ATOM 0 HG2 PRO A 82 -17.779 -7.964 1.618 1.00 2.41 H new ATOM 0 HG3 PRO A 82 -17.716 -7.937 -0.133 1.00 2.41 H new ATOM 0 HD2 PRO A 82 -16.343 -6.117 1.837 1.00 2.19 H new ATOM 0 HD3 PRO A 82 -15.728 -6.782 0.337 1.00 2.19 H new ATOM 1240 N HIS A 83 -18.444 -3.008 1.147 1.00 2.68 N ATOM 1241 CA HIS A 83 -18.969 -1.812 1.751 1.00 3.26 C ATOM 1242 C HIS A 83 -18.958 -0.672 0.744 1.00 3.66 C ATOM 1243 O HIS A 83 -19.243 0.462 1.086 1.00 4.25 O ATOM 1244 CB HIS A 83 -18.195 -1.421 3.039 1.00 3.25 C ATOM 1245 CG HIS A 83 -18.306 -2.400 4.148 1.00 3.45 C ATOM 1246 ND1 HIS A 83 -17.231 -3.087 4.689 1.00 3.86 N ATOM 1247 CD2 HIS A 83 -19.370 -2.782 4.831 1.00 3.77 C ATOM 1248 CE1 HIS A 83 -17.663 -3.865 5.674 1.00 4.24 C ATOM 1249 NE2 HIS A 83 -18.963 -3.695 5.777 1.00 4.19 N ATOM 0 H HIS A 83 -17.427 -3.046 1.081 1.00 2.68 H new ATOM 0 HA HIS A 83 -19.998 -2.013 2.049 1.00 3.26 H new ATOM 0 HB2 HIS A 83 -17.142 -1.293 2.789 1.00 3.25 H new ATOM 0 HB3 HIS A 83 -18.560 -0.455 3.387 1.00 3.25 H new ATOM 0 HD1 HIS A 83 -16.262 -3.008 4.380 1.00 3.86 H new ATOM 0 HD2 HIS A 83 -20.382 -2.438 4.675 1.00 3.77 H new ATOM 0 HE1 HIS A 83 -17.056 -4.520 6.282 1.00 4.24 H new ATOM 1258 N LEU A 84 -18.634 -0.990 -0.507 1.00 3.56 N ATOM 1259 CA LEU A 84 -18.557 0.021 -1.557 1.00 4.20 C ATOM 1260 C LEU A 84 -19.589 -0.249 -2.670 1.00 4.81 C ATOM 1261 O LEU A 84 -19.532 0.391 -3.719 1.00 5.47 O ATOM 1262 CB LEU A 84 -17.147 0.004 -2.172 1.00 4.05 C ATOM 1263 CG LEU A 84 -15.969 0.038 -1.184 1.00 3.39 C ATOM 1264 CD1 LEU A 84 -14.647 -0.021 -1.933 1.00 3.60 C ATOM 1265 CD2 LEU A 84 -16.023 1.248 -0.245 1.00 3.49 C ATOM 0 H LEU A 84 -18.421 -1.938 -0.817 1.00 3.56 H new ATOM 0 HA LEU A 84 -18.772 0.993 -1.112 1.00 4.20 H new ATOM 0 HB2 LEU A 84 -17.053 -0.892 -2.785 1.00 4.05 H new ATOM 0 HB3 LEU A 84 -17.056 0.859 -2.841 1.00 4.05 H new ATOM 0 HG LEU A 84 -16.052 -0.845 -0.551 1.00 3.39 H new ATOM 0 HD11 LEU A 84 -13.823 0.004 -1.220 1.00 3.60 H new ATOM 0 HD12 LEU A 84 -14.598 -0.943 -2.512 1.00 3.60 H new ATOM 0 HD13 LEU A 84 -14.571 0.834 -2.605 1.00 3.60 H new ATOM 0 HD21 LEU A 84 -15.168 1.222 0.431 1.00 3.49 H new ATOM 0 HD22 LEU A 84 -15.994 2.166 -0.832 1.00 3.49 H new ATOM 0 HD23 LEU A 84 -16.945 1.218 0.335 1.00 3.49 H new ATOM 1277 N LYS A 85 -20.522 -1.217 -2.448 1.00 4.68 N ATOM 1278 CA LYS A 85 -21.539 -1.559 -3.491 1.00 5.28 C ATOM 1279 C LYS A 85 -22.356 -0.355 -4.044 1.00 6.06 C ATOM 1280 O LYS A 85 -22.517 -0.262 -5.264 1.00 6.40 O ATOM 1281 CB LYS A 85 -22.467 -2.737 -3.082 1.00 5.04 C ATOM 1282 CG LYS A 85 -23.509 -3.146 -4.177 1.00 5.59 C ATOM 1283 CD LYS A 85 -22.831 -3.437 -5.532 1.00 6.41 C ATOM 1284 CE LYS A 85 -23.845 -3.682 -6.667 1.00 7.19 C ATOM 1285 NZ LYS A 85 -24.600 -4.945 -6.527 1.00 8.04 N ATOM 0 H LYS A 85 -20.594 -1.760 -1.587 1.00 4.68 H new ATOM 0 HA LYS A 85 -20.927 -1.897 -4.328 1.00 5.28 H new ATOM 0 HB2 LYS A 85 -21.851 -3.603 -2.842 1.00 5.04 H new ATOM 0 HB3 LYS A 85 -23.002 -2.464 -2.172 1.00 5.04 H new ATOM 0 HG2 LYS A 85 -24.056 -4.029 -3.847 1.00 5.59 H new ATOM 0 HG3 LYS A 85 -24.240 -2.347 -4.300 1.00 5.59 H new ATOM 0 HD2 LYS A 85 -22.189 -2.598 -5.799 1.00 6.41 H new ATOM 0 HD3 LYS A 85 -22.188 -4.311 -5.431 1.00 6.41 H new ATOM 0 HE2 LYS A 85 -24.549 -2.850 -6.699 1.00 7.19 H new ATOM 0 HE3 LYS A 85 -23.316 -3.689 -7.620 1.00 7.19 H new ATOM 0 HZ1 LYS A 85 -24.295 -5.615 -7.261 1.00 8.04 H new ATOM 0 HZ2 LYS A 85 -24.420 -5.355 -5.588 1.00 8.04 H new ATOM 0 HZ3 LYS A 85 -25.617 -4.755 -6.633 1.00 8.04 H new ATOM 1299 N LYS A 86 -22.871 0.526 -3.156 1.00 6.60 N ATOM 1300 CA LYS A 86 -23.648 1.707 -3.567 1.00 7.50 C ATOM 1301 C LYS A 86 -25.086 1.338 -3.979 1.00 8.13 C ATOM 1302 O LYS A 86 -25.309 0.933 -5.125 1.00 8.62 O ATOM 1303 CB LYS A 86 -22.923 2.553 -4.654 1.00 8.04 C ATOM 1304 CG LYS A 86 -23.717 3.755 -5.163 1.00 8.96 C ATOM 1305 CD LYS A 86 -22.936 4.520 -6.216 1.00 9.74 C ATOM 1306 CE LYS A 86 -23.753 5.653 -6.793 1.00 10.66 C ATOM 1307 NZ LYS A 86 -24.969 5.167 -7.491 1.00 11.10 N ATOM 1308 OXT LYS A 86 -25.992 1.496 -3.127 1.00 8.37 O ATOM 0 H LYS A 86 -22.759 0.436 -2.146 1.00 6.60 H new ATOM 0 HA LYS A 86 -23.725 2.346 -2.687 1.00 7.50 H new ATOM 0 HB2 LYS A 86 -21.975 2.907 -4.248 1.00 8.04 H new ATOM 0 HB3 LYS A 86 -22.686 1.907 -5.499 1.00 8.04 H new ATOM 0 HG2 LYS A 86 -24.665 3.417 -5.583 1.00 8.96 H new ATOM 0 HG3 LYS A 86 -23.955 4.417 -4.330 1.00 8.96 H new ATOM 0 HD2 LYS A 86 -22.021 4.916 -5.776 1.00 9.74 H new ATOM 0 HD3 LYS A 86 -22.638 3.841 -7.015 1.00 9.74 H new ATOM 0 HE2 LYS A 86 -24.043 6.334 -5.993 1.00 10.66 H new ATOM 0 HE3 LYS A 86 -23.139 6.223 -7.490 1.00 10.66 H new ATOM 0 HZ1 LYS A 86 -25.359 5.930 -8.080 1.00 11.10 H new ATOM 0 HZ2 LYS A 86 -24.723 4.356 -8.093 1.00 11.10 H new ATOM 0 HZ3 LYS A 86 -25.678 4.874 -6.789 1.00 11.10 H new TER 1322 LYS A 86