USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 639 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 96 THR OG1 : rot 93:sc= 0.613 USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.555 USER MOD Set 2.1: A 81 MET CE :methyl 164:sc= -0.0974 (180deg=-0.544) USER MOD Set 2.2: A 83 TYR OH : rot -81:sc= 0.54 USER MOD Set 3.1: A 4 MET CE :methyl 156:sc= -0.196 (180deg=-0.855) USER MOD Set 3.2: A 6 TYR OH : rot 123:sc= -0.0663 USER MOD Single : A 3 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.9!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0.725 K(o=0.73,f=-0.097) USER MOD Single : A 13 LYS NZ :NH3+ -113:sc= -0.441 (180deg=-1.8!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.059 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -159:sc= -1.6! USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= -0.0205 (180deg=-0.177) USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0.264 (180deg=0.261) USER MOD Single : A 35 GLN : amide:sc= -0.428 K(o=-0.43,f=-1.2) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.025 X(o=-0.025,f=-0.32) USER MOD Single : A 40 ASN : amide:sc= 0.0876 X(o=0.088,f=-0.36) USER MOD Single : A 47 THR OG1 : rot 141:sc= -1.67! USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00985 USER MOD Single : A 52 THR OG1 : rot -66:sc= 0.28 USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= 1.1 (180deg=0.998) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 55 TYR OH : rot -112:sc= 1.01 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -116:sc= 1.35 (180deg=-0.354) USER MOD Single : A 84 THR OG1 : rot 162:sc= -0.876 USER MOD Single : A 85 SER OG : rot -45:sc= 0.499 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0846 X(o=-0.085,f=-0.0075) USER MOD Single : A 95 ASN : amide:sc= -0.162 K(o=-0.16,f=-3.2!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 3 -37.651 5.598 -1.448 1.00 0.62 N ATOM 22 CA HIS A 3 -36.322 5.288 -0.935 1.00 0.44 C ATOM 23 C HIS A 3 -35.286 5.466 -2.041 1.00 0.40 C ATOM 24 O HIS A 3 -35.634 5.472 -3.222 1.00 0.53 O ATOM 25 CB HIS A 3 -36.253 3.841 -0.398 1.00 0.55 C ATOM 26 CG HIS A 3 -36.436 2.779 -1.448 1.00 1.04 C ATOM 27 ND1 HIS A 3 -35.438 2.402 -2.330 1.00 1.55 N ATOM 28 CD2 HIS A 3 -37.506 2.010 -1.753 1.00 1.91 C ATOM 29 CE1 HIS A 3 -35.893 1.455 -3.131 1.00 2.22 C ATOM 30 NE2 HIS A 3 -37.143 1.195 -2.803 1.00 2.50 N ATOM 0 HA HIS A 3 -36.110 5.972 -0.113 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -35.289 3.692 0.088 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -37.018 3.714 0.368 1.00 0.55 H new ATOM 0 HD2 HIS A 3 -38.468 2.031 -1.263 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -35.335 0.975 -3.921 1.00 2.22 H new ATOM 0 HE2 HIS A 3 -37.743 0.504 -3.253 1.00 2.50 H new ATOM 39 N MET A 4 -34.017 5.546 -1.667 1.00 0.38 N ATOM 40 CA MET A 4 -32.942 5.646 -2.648 1.00 0.41 C ATOM 41 C MET A 4 -32.173 4.332 -2.667 1.00 0.37 C ATOM 42 O MET A 4 -31.977 3.711 -1.620 1.00 0.43 O ATOM 43 CB MET A 4 -31.992 6.818 -2.333 1.00 0.54 C ATOM 44 CG MET A 4 -32.683 8.172 -2.258 1.00 1.29 C ATOM 45 SD MET A 4 -31.526 9.533 -1.996 1.00 1.92 S ATOM 46 CE MET A 4 -30.517 9.405 -3.469 1.00 2.06 C ATOM 0 H MET A 4 -33.706 5.544 -0.696 1.00 0.38 H new ATOM 0 HA MET A 4 -33.378 5.840 -3.628 1.00 0.41 H new ATOM 0 HB2 MET A 4 -31.493 6.623 -1.384 1.00 0.54 H new ATOM 0 HB3 MET A 4 -31.216 6.859 -3.098 1.00 0.54 H new ATOM 0 HG2 MET A 4 -33.237 8.344 -3.181 1.00 1.29 H new ATOM 0 HG3 MET A 4 -33.411 8.159 -1.447 1.00 1.29 H new ATOM 0 HE1 MET A 4 -30.060 10.371 -3.682 1.00 2.06 H new ATOM 0 HE2 MET A 4 -29.736 8.661 -3.311 1.00 2.06 H new ATOM 0 HE3 MET A 4 -31.140 9.104 -4.312 1.00 2.06 H new ATOM 56 N GLN A 5 -31.863 3.840 -3.852 1.00 0.34 N ATOM 57 CA GLN A 5 -31.119 2.603 -3.982 1.00 0.33 C ATOM 58 C GLN A 5 -29.630 2.899 -4.067 1.00 0.29 C ATOM 59 O GLN A 5 -29.176 3.563 -5.000 1.00 0.49 O ATOM 60 CB GLN A 5 -31.561 1.828 -5.224 1.00 0.44 C ATOM 61 CG GLN A 5 -30.807 0.520 -5.422 1.00 0.53 C ATOM 62 CD GLN A 5 -31.086 -0.119 -6.772 1.00 1.07 C ATOM 63 OE1 GLN A 5 -30.395 0.151 -7.755 1.00 1.90 O ATOM 64 NE2 GLN A 5 -32.091 -0.975 -6.826 1.00 1.53 N ATOM 0 H GLN A 5 -32.115 4.279 -4.738 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.319 1.991 -3.102 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.628 1.616 -5.150 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.421 2.456 -6.104 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.737 0.704 -5.326 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -31.083 -0.177 -4.631 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -32.639 -1.171 -5.989 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -32.319 -1.440 -7.705 1.00 1.53 H new ATOM 73 N TYR A 6 -28.879 2.438 -3.082 1.00 0.20 N ATOM 74 CA TYR A 6 -27.440 2.637 -3.087 1.00 0.21 C ATOM 75 C TYR A 6 -26.749 1.343 -3.479 1.00 0.23 C ATOM 76 O TYR A 6 -27.325 0.258 -3.346 1.00 0.30 O ATOM 77 CB TYR A 6 -26.914 3.150 -1.725 1.00 0.28 C ATOM 78 CG TYR A 6 -27.257 4.601 -1.457 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.413 5.623 -1.876 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.430 4.950 -0.790 1.00 0.78 C ATOM 81 CE1 TYR A 6 -26.727 6.948 -1.641 1.00 0.82 C ATOM 82 CE2 TYR A 6 -28.746 6.274 -0.552 1.00 0.83 C ATOM 83 CZ TYR A 6 -27.882 7.264 -0.953 1.00 0.43 C ATOM 84 OH TYR A 6 -28.208 8.585 -0.744 1.00 0.53 O ATOM 0 H TYR A 6 -29.237 1.928 -2.275 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.210 3.409 -3.821 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.328 2.533 -0.928 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -25.831 3.028 -1.692 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.497 5.378 -2.393 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -29.102 4.174 -0.454 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -26.073 7.732 -1.993 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -29.669 6.530 -0.053 1.00 0.83 H new ATOM 0 HH TYR A 6 -29.096 8.766 -1.118 1.00 0.53 H new ATOM 94 N LYS A 7 -25.515 1.456 -3.932 1.00 0.26 N ATOM 95 CA LYS A 7 -24.771 0.294 -4.406 1.00 0.30 C ATOM 96 C LYS A 7 -23.332 0.356 -3.912 1.00 0.23 C ATOM 97 O LYS A 7 -22.722 1.423 -3.907 1.00 0.31 O ATOM 98 CB LYS A 7 -24.845 0.195 -5.956 1.00 0.50 C ATOM 99 CG LYS A 7 -23.907 -0.826 -6.591 1.00 0.98 C ATOM 100 CD LYS A 7 -24.164 -0.946 -8.085 1.00 1.30 C ATOM 101 CE LYS A 7 -25.569 -1.468 -8.356 1.00 1.94 C ATOM 102 NZ LYS A 7 -25.784 -1.774 -9.791 1.00 2.57 N ATOM 0 H LYS A 7 -25.003 2.337 -3.984 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.224 -0.610 -4.000 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -25.868 -0.051 -6.239 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -24.625 1.176 -6.377 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -22.872 -0.531 -6.419 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -24.045 -1.797 -6.115 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -24.036 0.027 -8.559 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -23.430 -1.617 -8.531 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -25.741 -2.367 -7.764 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -26.299 -0.727 -8.030 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -26.753 -2.126 -9.930 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -25.645 -0.911 -10.355 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -25.105 -2.500 -10.097 1.00 2.57 H new ATOM 116 N LEU A 8 -22.827 -0.768 -3.419 1.00 0.22 N ATOM 117 CA LEU A 8 -21.466 -0.831 -2.891 1.00 0.20 C ATOM 118 C LEU A 8 -20.635 -1.846 -3.663 1.00 0.17 C ATOM 119 O LEU A 8 -21.136 -2.908 -4.040 1.00 0.25 O ATOM 120 CB LEU A 8 -21.475 -1.232 -1.407 1.00 0.28 C ATOM 121 CG LEU A 8 -20.156 -1.062 -0.653 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.822 0.407 -0.417 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.243 -1.797 0.665 1.00 0.33 C ATOM 0 H LEU A 8 -23.338 -1.650 -3.373 1.00 0.22 H new ATOM 0 HA LEU A 8 -21.027 0.161 -3.000 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.239 -0.644 -0.898 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -21.778 -2.277 -1.336 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.355 -1.480 -1.262 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -18.877 0.483 0.122 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.736 0.919 -1.375 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.614 0.870 0.172 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.306 -1.681 1.209 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -21.060 -1.386 1.258 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.426 -2.855 0.480 1.00 0.33 H new ATOM 135 N ILE A 9 -19.367 -1.520 -3.884 1.00 0.15 N ATOM 136 CA ILE A 9 -18.439 -2.436 -4.528 1.00 0.14 C ATOM 137 C ILE A 9 -17.288 -2.707 -3.581 1.00 0.13 C ATOM 138 O ILE A 9 -16.620 -1.770 -3.136 1.00 0.17 O ATOM 139 CB ILE A 9 -17.867 -1.857 -5.852 1.00 0.20 C ATOM 140 CG1 ILE A 9 -18.983 -1.390 -6.794 1.00 0.26 C ATOM 141 CG2 ILE A 9 -17.015 -2.892 -6.557 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.495 -0.492 -7.921 1.00 0.62 C ATOM 0 H ILE A 9 -18.958 -0.622 -3.624 1.00 0.15 H new ATOM 0 HA ILE A 9 -18.982 -3.350 -4.768 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.254 -0.994 -5.590 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.473 -2.264 -7.224 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -19.735 -0.855 -6.215 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.622 -2.471 -7.482 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.187 -3.183 -5.911 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.622 -3.768 -6.786 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.339 -0.201 -8.546 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.031 0.400 -7.500 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -17.765 -1.030 -8.525 1.00 0.62 H new ATOM 154 N LEU A 10 -17.089 -3.971 -3.229 1.00 0.12 N ATOM 155 CA LEU A 10 -15.998 -4.323 -2.336 1.00 0.13 C ATOM 156 C LEU A 10 -14.786 -4.718 -3.142 1.00 0.15 C ATOM 157 O LEU A 10 -14.722 -5.816 -3.694 1.00 0.25 O ATOM 158 CB LEU A 10 -16.343 -5.460 -1.353 1.00 0.14 C ATOM 159 CG LEU A 10 -17.552 -5.260 -0.424 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.678 -3.833 0.036 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.840 -5.729 -1.085 1.00 0.19 C ATOM 0 H LEU A 10 -17.659 -4.756 -3.543 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.798 -3.435 -1.736 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.513 -6.366 -1.935 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.467 -5.641 -0.730 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.379 -5.875 0.459 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.545 -3.737 0.690 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.779 -3.546 0.581 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.802 -3.181 -0.829 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.676 -5.574 -0.403 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -19.008 -5.160 -2.000 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.760 -6.789 -1.327 1.00 0.19 H new ATOM 173 N ASN A 11 -13.852 -3.794 -3.263 1.00 0.15 N ATOM 174 CA ASN A 11 -12.627 -4.065 -3.983 1.00 0.18 C ATOM 175 C ASN A 11 -11.558 -4.472 -2.980 1.00 0.20 C ATOM 176 O ASN A 11 -10.841 -3.629 -2.443 1.00 0.24 O ATOM 177 CB ASN A 11 -12.155 -2.828 -4.774 1.00 0.24 C ATOM 178 CG ASN A 11 -13.292 -1.995 -5.326 1.00 1.01 C ATOM 179 OD1 ASN A 11 -13.748 -2.206 -6.450 1.00 1.96 O ATOM 180 ND2 ASN A 11 -13.755 -1.040 -4.538 1.00 1.33 N ATOM 0 H ASN A 11 -13.919 -2.854 -2.873 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.807 -4.867 -4.699 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -11.540 -2.205 -4.125 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.520 -3.154 -5.598 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -14.519 -0.444 -4.855 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -13.348 -0.900 -3.613 1.00 1.33 H new ATOM 187 N GLY A 12 -11.513 -5.753 -2.675 1.00 0.21 N ATOM 188 CA GLY A 12 -10.535 -6.263 -1.739 1.00 0.26 C ATOM 189 C GLY A 12 -10.162 -7.682 -2.095 1.00 0.39 C ATOM 190 O GLY A 12 -11.037 -8.513 -2.286 1.00 0.91 O ATOM 0 H GLY A 12 -12.141 -6.458 -3.061 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.646 -5.632 -1.751 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -10.937 -6.228 -0.727 1.00 0.26 H new ATOM 194 N LYS A 13 -8.867 -7.959 -2.180 1.00 0.44 N ATOM 195 CA LYS A 13 -8.365 -9.273 -2.602 1.00 0.56 C ATOM 196 C LYS A 13 -9.012 -10.423 -1.821 1.00 0.66 C ATOM 197 O LYS A 13 -9.254 -11.494 -2.372 1.00 0.89 O ATOM 198 CB LYS A 13 -6.843 -9.324 -2.441 1.00 0.76 C ATOM 199 CG LYS A 13 -6.098 -8.277 -3.254 1.00 1.17 C ATOM 200 CD LYS A 13 -4.586 -8.374 -3.068 1.00 1.63 C ATOM 201 CE LYS A 13 -4.165 -8.166 -1.615 1.00 2.41 C ATOM 202 NZ LYS A 13 -4.167 -9.431 -0.823 1.00 3.26 N ATOM 0 H LYS A 13 -8.133 -7.286 -1.961 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.633 -9.403 -3.651 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -6.595 -9.195 -1.387 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -6.490 -10.313 -2.732 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -6.341 -8.398 -4.310 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.436 -7.283 -2.961 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -4.243 -9.352 -3.407 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -4.097 -7.629 -3.696 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -3.167 -7.729 -1.590 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -4.838 -7.449 -1.146 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -4.914 -9.387 -0.100 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -4.345 -10.237 -1.456 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -3.244 -9.552 -0.360 1.00 3.26 H new ATOM 216 N THR A 14 -9.334 -10.175 -0.562 1.00 0.76 N ATOM 217 CA THR A 14 -9.904 -11.207 0.305 1.00 1.06 C ATOM 218 C THR A 14 -11.424 -11.337 0.128 1.00 0.93 C ATOM 219 O THR A 14 -12.001 -12.384 0.428 1.00 1.20 O ATOM 220 CB THR A 14 -9.583 -10.892 1.781 1.00 1.44 C ATOM 221 OG1 THR A 14 -8.210 -10.484 1.890 1.00 1.93 O ATOM 222 CG2 THR A 14 -9.834 -12.109 2.667 1.00 1.86 C ATOM 0 H THR A 14 -9.212 -9.268 -0.112 1.00 0.76 H new ATOM 0 HA THR A 14 -9.452 -12.157 0.018 1.00 1.06 H new ATOM 0 HB THR A 14 -10.237 -10.088 2.118 1.00 1.44 H new ATOM 0 HG1 THR A 14 -8.002 -10.281 2.826 1.00 1.93 H new ATOM 0 HG21 THR A 14 -9.600 -11.860 3.702 1.00 1.86 H new ATOM 0 HG22 THR A 14 -10.881 -12.404 2.592 1.00 1.86 H new ATOM 0 HG23 THR A 14 -9.201 -12.934 2.340 1.00 1.86 H new ATOM 230 N LEU A 15 -12.061 -10.309 -0.421 1.00 0.64 N ATOM 231 CA LEU A 15 -13.503 -10.306 -0.587 1.00 0.66 C ATOM 232 C LEU A 15 -13.884 -9.335 -1.705 1.00 0.49 C ATOM 233 O LEU A 15 -13.799 -8.119 -1.543 1.00 0.55 O ATOM 234 CB LEU A 15 -14.170 -9.929 0.753 1.00 0.92 C ATOM 235 CG LEU A 15 -15.698 -10.009 0.806 1.00 1.07 C ATOM 236 CD1 LEU A 15 -16.321 -8.724 0.297 1.00 1.80 C ATOM 237 CD2 LEU A 15 -16.192 -11.199 0.008 1.00 1.35 C ATOM 0 H LEU A 15 -11.596 -9.466 -0.759 1.00 0.64 H new ATOM 0 HA LEU A 15 -13.856 -11.297 -0.871 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -13.768 -10.581 1.529 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -13.873 -8.911 1.006 1.00 0.92 H new ATOM 0 HG LEU A 15 -16.000 -10.142 1.845 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -17.407 -8.803 0.344 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -15.991 -7.890 0.916 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -16.013 -8.554 -0.735 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -17.280 -11.242 0.055 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -15.878 -11.096 -1.031 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -15.774 -12.115 0.425 1.00 1.35 H new ATOM 249 N LYS A 16 -14.233 -9.888 -2.858 1.00 0.42 N ATOM 250 CA LYS A 16 -14.588 -9.089 -4.021 1.00 0.37 C ATOM 251 C LYS A 16 -16.015 -9.381 -4.456 1.00 0.43 C ATOM 252 O LYS A 16 -16.379 -10.534 -4.704 1.00 0.58 O ATOM 253 CB LYS A 16 -13.629 -9.392 -5.171 1.00 0.45 C ATOM 254 CG LYS A 16 -12.186 -9.017 -4.874 1.00 0.43 C ATOM 255 CD LYS A 16 -11.206 -9.990 -5.482 1.00 1.03 C ATOM 256 CE LYS A 16 -11.560 -11.438 -5.155 1.00 1.81 C ATOM 257 NZ LYS A 16 -10.607 -12.401 -5.768 1.00 2.49 N ATOM 0 H LYS A 16 -14.278 -10.895 -3.013 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.513 -8.035 -3.752 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.679 -10.456 -5.404 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -13.960 -8.855 -6.060 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -11.987 -8.016 -5.257 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -12.037 -8.981 -3.795 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -11.187 -9.857 -6.564 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -10.203 -9.771 -5.116 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -11.566 -11.574 -4.073 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -12.569 -11.652 -5.508 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -10.886 -13.372 -5.520 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -10.619 -12.291 -6.802 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -9.648 -12.215 -5.412 1.00 2.49 H new ATOM 271 N GLY A 17 -16.816 -8.333 -4.537 1.00 0.33 N ATOM 272 CA GLY A 17 -18.205 -8.479 -4.915 1.00 0.39 C ATOM 273 C GLY A 17 -18.940 -7.157 -4.875 1.00 0.26 C ATOM 274 O GLY A 17 -18.328 -6.103 -4.664 1.00 0.23 O ATOM 0 H GLY A 17 -16.526 -7.374 -4.346 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.266 -8.899 -5.919 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.692 -9.186 -4.244 1.00 0.39 H new ATOM 278 N GLU A 18 -20.252 -7.211 -5.034 1.00 0.28 N ATOM 279 CA GLU A 18 -21.085 -6.018 -4.990 1.00 0.23 C ATOM 280 C GLU A 18 -22.333 -6.278 -4.163 1.00 0.29 C ATOM 281 O GLU A 18 -22.678 -7.430 -3.891 1.00 0.49 O ATOM 282 CB GLU A 18 -21.494 -5.578 -6.398 1.00 0.46 C ATOM 283 CG GLU A 18 -20.380 -4.938 -7.214 1.00 0.70 C ATOM 284 CD GLU A 18 -20.825 -4.592 -8.623 1.00 1.17 C ATOM 285 OE1 GLU A 18 -21.668 -3.683 -8.781 1.00 1.69 O ATOM 286 OE2 GLU A 18 -20.331 -5.219 -9.580 1.00 1.69 O ATOM 0 H GLU A 18 -20.768 -8.076 -5.196 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.500 -5.221 -4.530 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -21.870 -6.446 -6.940 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -22.319 -4.870 -6.317 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -20.038 -4.034 -6.711 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -19.530 -5.618 -7.261 1.00 0.70 H new ATOM 293 N THR A 19 -23.004 -5.213 -3.760 1.00 0.22 N ATOM 294 CA THR A 19 -24.229 -5.337 -2.996 1.00 0.32 C ATOM 295 C THR A 19 -25.027 -4.035 -3.055 1.00 0.29 C ATOM 296 O THR A 19 -24.502 -2.990 -3.442 1.00 0.31 O ATOM 297 CB THR A 19 -23.948 -5.734 -1.524 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.183 -6.007 -0.848 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.191 -4.628 -0.783 1.00 0.45 C ATOM 0 H THR A 19 -22.719 -4.252 -3.950 1.00 0.22 H new ATOM 0 HA THR A 19 -24.820 -6.135 -3.445 1.00 0.32 H new ATOM 0 HB THR A 19 -23.326 -6.629 -1.530 1.00 0.44 H new ATOM 0 HG1 THR A 19 -24.999 -6.259 0.081 1.00 0.58 H new ATOM 0 HG21 THR A 19 -23.010 -4.938 0.246 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.238 -4.444 -1.280 1.00 0.45 H new ATOM 0 HG23 THR A 19 -23.785 -3.714 -0.788 1.00 0.45 H new ATOM 307 N THR A 20 -26.296 -4.106 -2.687 1.00 0.27 N ATOM 308 CA THR A 20 -27.176 -2.949 -2.742 1.00 0.24 C ATOM 309 C THR A 20 -27.991 -2.840 -1.463 1.00 0.25 C ATOM 310 O THR A 20 -28.115 -3.815 -0.719 1.00 0.31 O ATOM 311 CB THR A 20 -28.146 -3.069 -3.935 1.00 0.30 C ATOM 312 OG1 THR A 20 -28.766 -4.359 -3.903 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.436 -2.880 -5.277 1.00 0.32 C ATOM 0 H THR A 20 -26.742 -4.957 -2.345 1.00 0.27 H new ATOM 0 HA THR A 20 -26.555 -2.061 -2.859 1.00 0.24 H new ATOM 0 HB THR A 20 -28.891 -2.279 -3.843 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.386 -4.443 -4.657 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.159 -2.973 -6.087 1.00 0.32 H new ATOM 0 HG22 THR A 20 -26.979 -1.891 -5.311 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.664 -3.641 -5.390 1.00 0.32 H new ATOM 321 N THR A 21 -28.536 -1.661 -1.209 1.00 0.23 N ATOM 322 CA THR A 21 -29.399 -1.457 -0.060 1.00 0.26 C ATOM 323 C THR A 21 -30.291 -0.238 -0.291 1.00 0.25 C ATOM 324 O THR A 21 -29.885 0.719 -0.964 1.00 0.26 O ATOM 325 CB THR A 21 -28.597 -1.290 1.261 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.477 -1.474 2.379 1.00 0.38 O ATOM 327 CG2 THR A 21 -27.954 0.101 1.370 1.00 0.28 C ATOM 0 H THR A 21 -28.395 -0.831 -1.785 1.00 0.23 H new ATOM 0 HA THR A 21 -30.014 -2.350 0.049 1.00 0.26 H new ATOM 0 HB THR A 21 -27.804 -2.037 1.261 1.00 0.31 H new ATOM 0 HG1 THR A 21 -28.973 -1.371 3.213 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.403 0.175 2.308 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.270 0.252 0.535 1.00 0.28 H new ATOM 0 HG23 THR A 21 -28.732 0.864 1.345 1.00 0.28 H new ATOM 335 N GLU A 22 -31.527 -0.308 0.185 1.00 0.31 N ATOM 336 CA GLU A 22 -32.457 0.795 0.048 1.00 0.36 C ATOM 337 C GLU A 22 -32.416 1.653 1.312 1.00 0.36 C ATOM 338 O GLU A 22 -32.621 1.144 2.416 1.00 0.58 O ATOM 339 CB GLU A 22 -33.897 0.282 -0.192 1.00 0.51 C ATOM 340 CG GLU A 22 -34.044 -0.877 -1.193 1.00 1.16 C ATOM 341 CD GLU A 22 -33.883 -2.239 -0.547 1.00 1.77 C ATOM 342 OE1 GLU A 22 -32.733 -2.667 -0.312 1.00 2.26 O ATOM 343 OE2 GLU A 22 -34.909 -2.898 -0.293 1.00 2.24 O ATOM 0 H GLU A 22 -31.906 -1.121 0.670 1.00 0.31 H new ATOM 0 HA GLU A 22 -32.162 1.393 -0.814 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.312 -0.036 0.764 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -34.505 1.117 -0.542 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -35.024 -0.819 -1.667 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -33.301 -0.765 -1.983 1.00 1.16 H new ATOM 350 N ALA A 23 -32.099 2.934 1.155 1.00 0.26 N ATOM 351 CA ALA A 23 -32.042 3.855 2.288 1.00 0.28 C ATOM 352 C ALA A 23 -32.554 5.228 1.865 1.00 0.31 C ATOM 353 O ALA A 23 -32.619 5.519 0.674 1.00 0.38 O ATOM 354 CB ALA A 23 -30.618 3.950 2.830 1.00 0.32 C ATOM 0 H ALA A 23 -31.877 3.359 0.255 1.00 0.26 H new ATOM 0 HA ALA A 23 -32.680 3.475 3.086 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -30.595 4.640 3.673 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -30.287 2.965 3.158 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.954 4.313 2.046 1.00 0.32 H new ATOM 360 N VAL A 24 -32.969 6.050 2.821 1.00 0.35 N ATOM 361 CA VAL A 24 -33.474 7.380 2.494 1.00 0.45 C ATOM 362 C VAL A 24 -32.466 8.480 2.826 1.00 0.49 C ATOM 363 O VAL A 24 -32.750 9.660 2.627 1.00 0.74 O ATOM 364 CB VAL A 24 -34.805 7.676 3.217 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.911 6.768 2.698 1.00 1.05 C ATOM 366 CG2 VAL A 24 -34.645 7.518 4.722 1.00 1.09 C ATOM 0 H VAL A 24 -32.967 5.825 3.816 1.00 0.35 H new ATOM 0 HA VAL A 24 -33.643 7.380 1.417 1.00 0.45 H new ATOM 0 HB VAL A 24 -35.084 8.709 3.009 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.841 6.992 3.220 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -36.046 6.933 1.629 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -35.639 5.727 2.872 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -35.594 7.731 5.213 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -34.339 6.497 4.950 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -33.886 8.213 5.082 1.00 1.09 H new ATOM 376 N ASP A 25 -31.285 8.096 3.294 1.00 0.39 N ATOM 377 CA ASP A 25 -30.264 9.074 3.645 1.00 0.45 C ATOM 378 C ASP A 25 -28.924 8.661 3.049 1.00 0.39 C ATOM 379 O ASP A 25 -28.590 7.473 3.047 1.00 0.35 O ATOM 380 CB ASP A 25 -30.084 9.189 5.166 1.00 0.54 C ATOM 381 CG ASP A 25 -31.383 9.254 5.943 1.00 1.25 C ATOM 382 OD1 ASP A 25 -31.950 10.354 6.074 1.00 1.51 O ATOM 383 OD2 ASP A 25 -31.815 8.198 6.457 1.00 2.13 O ATOM 0 H ASP A 25 -31.012 7.124 3.438 1.00 0.39 H new ATOM 0 HA ASP A 25 -30.592 10.035 3.248 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -29.506 8.334 5.518 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -29.498 10.082 5.385 1.00 0.54 H new ATOM 388 N ALA A 26 -28.121 9.632 2.618 1.00 0.44 N ATOM 389 CA ALA A 26 -26.802 9.332 2.068 1.00 0.46 C ATOM 390 C ALA A 26 -25.859 8.880 3.176 1.00 0.38 C ATOM 391 O ALA A 26 -25.062 7.957 2.995 1.00 0.37 O ATOM 392 CB ALA A 26 -26.228 10.548 1.346 1.00 0.59 C ATOM 0 H ALA A 26 -28.358 10.624 2.639 1.00 0.44 H new ATOM 0 HA ALA A 26 -26.907 8.523 1.345 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -25.245 10.302 0.944 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -26.892 10.834 0.530 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -26.136 11.378 2.047 1.00 0.59 H new ATOM 398 N ALA A 27 -26.006 9.498 4.344 1.00 0.39 N ATOM 399 CA ALA A 27 -25.167 9.192 5.493 1.00 0.38 C ATOM 400 C ALA A 27 -25.522 7.835 6.096 1.00 0.31 C ATOM 401 O ALA A 27 -24.643 7.088 6.522 1.00 0.32 O ATOM 402 CB ALA A 27 -25.292 10.290 6.536 1.00 0.48 C ATOM 0 H ALA A 27 -26.705 10.220 4.518 1.00 0.39 H new ATOM 0 HA ALA A 27 -24.132 9.141 5.154 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.661 10.052 7.392 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.976 11.240 6.104 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -26.330 10.367 6.861 1.00 0.48 H new ATOM 408 N THR A 28 -26.808 7.511 6.109 1.00 0.31 N ATOM 409 CA THR A 28 -27.265 6.244 6.670 1.00 0.30 C ATOM 410 C THR A 28 -26.768 5.055 5.845 1.00 0.24 C ATOM 411 O THR A 28 -26.390 4.023 6.398 1.00 0.28 O ATOM 412 CB THR A 28 -28.806 6.201 6.781 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.274 7.405 7.402 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.256 5.004 7.607 1.00 0.45 C ATOM 0 H THR A 28 -27.551 8.104 5.740 1.00 0.31 H new ATOM 0 HA THR A 28 -26.843 6.169 7.672 1.00 0.30 H new ATOM 0 HB THR A 28 -29.222 6.110 5.778 1.00 0.36 H new ATOM 0 HG1 THR A 28 -30.169 7.255 7.773 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.344 4.995 7.671 1.00 0.45 H new ATOM 0 HG22 THR A 28 -28.913 4.085 7.132 1.00 0.45 H new ATOM 0 HG23 THR A 28 -28.834 5.074 8.609 1.00 0.45 H new ATOM 422 N ALA A 29 -26.662 5.241 4.532 1.00 0.21 N ATOM 423 CA ALA A 29 -26.205 4.172 3.653 1.00 0.22 C ATOM 424 C ALA A 29 -24.730 3.910 3.893 1.00 0.21 C ATOM 425 O ALA A 29 -24.275 2.768 3.892 1.00 0.25 O ATOM 426 CB ALA A 29 -26.454 4.534 2.196 1.00 0.28 C ATOM 0 H ALA A 29 -26.885 6.116 4.057 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.767 3.265 3.876 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -26.106 3.724 1.555 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.521 4.690 2.037 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.913 5.448 1.951 1.00 0.28 H new ATOM 432 N GLU A 30 -24.014 4.990 4.159 1.00 0.19 N ATOM 433 CA GLU A 30 -22.590 4.932 4.444 1.00 0.20 C ATOM 434 C GLU A 30 -22.345 4.117 5.714 1.00 0.20 C ATOM 435 O GLU A 30 -21.666 3.092 5.692 1.00 0.23 O ATOM 436 CB GLU A 30 -22.064 6.355 4.633 1.00 0.24 C ATOM 437 CG GLU A 30 -20.572 6.504 4.416 1.00 0.35 C ATOM 438 CD GLU A 30 -20.083 7.888 4.782 1.00 0.50 C ATOM 439 OE1 GLU A 30 -19.538 8.056 5.892 1.00 1.14 O ATOM 440 OE2 GLU A 30 -20.260 8.820 3.968 1.00 1.29 O ATOM 0 H GLU A 30 -24.404 5.932 4.183 1.00 0.19 H new ATOM 0 HA GLU A 30 -22.070 4.453 3.614 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.587 7.017 3.943 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -22.307 6.688 5.642 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -20.043 5.762 5.014 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -20.335 6.300 3.372 1.00 0.35 H new ATOM 447 N LYS A 31 -22.971 4.553 6.800 1.00 0.20 N ATOM 448 CA LYS A 31 -22.823 3.917 8.109 1.00 0.24 C ATOM 449 C LYS A 31 -23.196 2.429 8.090 1.00 0.22 C ATOM 450 O LYS A 31 -22.468 1.598 8.636 1.00 0.26 O ATOM 451 CB LYS A 31 -23.672 4.646 9.151 1.00 0.29 C ATOM 452 CG LYS A 31 -23.356 6.126 9.265 1.00 0.39 C ATOM 453 CD LYS A 31 -21.875 6.364 9.510 1.00 1.10 C ATOM 454 CE LYS A 31 -21.553 7.845 9.591 1.00 1.86 C ATOM 455 NZ LYS A 31 -22.239 8.490 10.740 1.00 2.42 N ATOM 0 H LYS A 31 -23.597 5.358 6.801 1.00 0.20 H new ATOM 0 HA LYS A 31 -21.768 3.985 8.374 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -24.725 4.526 8.897 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -23.523 4.175 10.123 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -23.661 6.635 8.351 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -23.935 6.561 10.080 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -21.576 5.875 10.437 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -21.295 5.908 8.707 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -20.476 7.979 9.687 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -21.854 8.335 8.665 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -21.846 9.441 10.890 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -23.257 8.564 10.540 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -22.095 7.917 11.596 1.00 2.42 H new ATOM 469 N VAL A 32 -24.302 2.088 7.433 1.00 0.20 N ATOM 470 CA VAL A 32 -24.760 0.702 7.394 1.00 0.22 C ATOM 471 C VAL A 32 -23.802 -0.165 6.579 1.00 0.18 C ATOM 472 O VAL A 32 -23.416 -1.255 7.007 1.00 0.20 O ATOM 473 CB VAL A 32 -26.184 0.586 6.808 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.598 -0.874 6.676 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.182 1.336 7.679 1.00 0.29 C ATOM 0 H VAL A 32 -24.893 2.746 6.925 1.00 0.20 H new ATOM 0 HA VAL A 32 -24.782 0.346 8.424 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.178 1.035 5.815 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.604 -0.931 6.261 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -25.903 -1.391 6.014 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -26.583 -1.347 7.658 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.180 1.243 7.251 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.178 0.914 8.684 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -26.904 2.389 7.727 1.00 0.29 H new ATOM 485 N PHE A 33 -23.383 0.347 5.429 1.00 0.16 N ATOM 486 CA PHE A 33 -22.478 -0.391 4.548 1.00 0.15 C ATOM 487 C PHE A 33 -21.074 -0.509 5.138 1.00 0.15 C ATOM 488 O PHE A 33 -20.331 -1.422 4.783 1.00 0.17 O ATOM 489 CB PHE A 33 -22.397 0.254 3.158 1.00 0.17 C ATOM 490 CG PHE A 33 -23.332 -0.333 2.140 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.798 0.443 1.095 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.732 -1.654 2.220 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.647 -0.085 0.143 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.583 -2.191 1.273 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.040 -1.405 0.233 1.00 0.29 C ATOM 0 H PHE A 33 -23.653 1.268 5.082 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.896 -1.393 4.450 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.608 1.319 3.254 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.376 0.163 2.789 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.494 1.477 1.022 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.376 -2.272 3.031 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -25.002 0.532 -0.669 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -24.890 -3.224 1.346 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.704 -1.823 -0.509 1.00 0.29 H new ATOM 505 N LYS A 34 -20.719 0.375 6.066 1.00 0.16 N ATOM 506 CA LYS A 34 -19.405 0.313 6.681 1.00 0.20 C ATOM 507 C LYS A 34 -19.375 -0.815 7.697 1.00 0.20 C ATOM 508 O LYS A 34 -18.366 -1.502 7.845 1.00 0.22 O ATOM 509 CB LYS A 34 -19.040 1.660 7.338 1.00 0.29 C ATOM 510 CG LYS A 34 -18.648 2.771 6.355 1.00 0.43 C ATOM 511 CD LYS A 34 -17.939 3.938 7.045 1.00 0.38 C ATOM 512 CE LYS A 34 -16.667 3.486 7.756 1.00 0.46 C ATOM 513 NZ LYS A 34 -15.729 2.780 6.841 1.00 1.09 N ATOM 0 H LYS A 34 -21.316 1.131 6.402 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.661 0.114 5.910 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -19.889 2.001 7.930 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.213 1.498 8.030 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -17.996 2.358 5.585 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -19.542 3.139 5.852 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -17.692 4.701 6.307 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -18.614 4.399 7.766 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -16.167 4.353 8.187 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.930 2.826 8.583 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -14.845 2.567 7.346 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -16.164 1.893 6.515 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -15.522 3.386 6.021 1.00 1.09 H new ATOM 527 N GLN A 35 -20.503 -1.033 8.362 1.00 0.21 N ATOM 528 CA GLN A 35 -20.631 -2.151 9.281 1.00 0.24 C ATOM 529 C GLN A 35 -20.760 -3.439 8.475 1.00 0.21 C ATOM 530 O GLN A 35 -20.297 -4.498 8.890 1.00 0.24 O ATOM 531 CB GLN A 35 -21.830 -1.977 10.222 1.00 0.32 C ATOM 532 CG GLN A 35 -21.918 -3.069 11.281 1.00 0.43 C ATOM 533 CD GLN A 35 -20.637 -3.199 12.088 1.00 1.28 C ATOM 534 OE1 GLN A 35 -19.926 -2.218 12.309 1.00 2.20 O ATOM 535 NE2 GLN A 35 -20.324 -4.413 12.515 1.00 1.82 N ATOM 0 H GLN A 35 -21.337 -0.452 8.281 1.00 0.21 H new ATOM 0 HA GLN A 35 -19.740 -2.195 9.908 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -21.762 -1.006 10.713 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -22.748 -1.973 9.635 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -22.748 -2.852 11.954 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -22.139 -4.021 10.799 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -20.940 -5.200 12.311 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -19.467 -4.561 13.048 1.00 1.82 H new ATOM 544 N TYR A 36 -21.356 -3.320 7.293 1.00 0.19 N ATOM 545 CA TYR A 36 -21.469 -4.439 6.372 1.00 0.18 C ATOM 546 C TYR A 36 -20.077 -4.873 5.923 1.00 0.17 C ATOM 547 O TYR A 36 -19.726 -6.054 5.981 1.00 0.19 O ATOM 548 CB TYR A 36 -22.308 -4.035 5.156 1.00 0.19 C ATOM 549 CG TYR A 36 -22.188 -4.995 3.998 1.00 0.21 C ATOM 550 CD1 TYR A 36 -21.325 -4.750 2.939 1.00 1.21 C ATOM 551 CD2 TYR A 36 -22.952 -6.149 3.970 1.00 1.11 C ATOM 552 CE1 TYR A 36 -21.234 -5.634 1.879 1.00 1.24 C ATOM 553 CE2 TYR A 36 -22.872 -7.037 2.923 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.921 -6.748 1.860 1.00 0.34 C ATOM 555 OH TYR A 36 -21.923 -7.663 0.824 1.00 0.42 O ATOM 0 H TYR A 36 -21.770 -2.453 6.951 1.00 0.19 H new ATOM 0 HA TYR A 36 -21.960 -5.271 6.877 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.354 -3.965 5.453 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -22.003 -3.041 4.828 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -20.717 -3.858 2.943 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -23.626 -6.356 4.788 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -20.583 -5.400 1.050 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -23.494 -7.919 2.891 1.00 1.12 H new ATOM 0 HH TYR A 36 -22.514 -8.411 1.050 1.00 0.42 H new ATOM 565 N ALA A 37 -19.292 -3.898 5.481 1.00 0.15 N ATOM 566 CA ALA A 37 -17.930 -4.146 5.040 1.00 0.16 C ATOM 567 C ALA A 37 -17.077 -4.622 6.216 1.00 0.18 C ATOM 568 O ALA A 37 -16.158 -5.425 6.047 1.00 0.22 O ATOM 569 CB ALA A 37 -17.345 -2.882 4.423 1.00 0.17 C ATOM 0 H ALA A 37 -19.581 -2.922 5.419 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.935 -4.929 4.281 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.324 -3.076 4.095 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -17.950 -2.581 3.568 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.342 -2.083 5.164 1.00 0.17 H new ATOM 575 N ASN A 38 -17.428 -4.141 7.412 1.00 0.20 N ATOM 576 CA ASN A 38 -16.732 -4.520 8.652 1.00 0.26 C ATOM 577 C ASN A 38 -16.821 -6.024 8.870 1.00 0.28 C ATOM 578 O ASN A 38 -15.837 -6.666 9.233 1.00 0.36 O ATOM 579 CB ASN A 38 -17.342 -3.785 9.872 1.00 0.31 C ATOM 580 CG ASN A 38 -16.745 -4.223 11.215 1.00 0.44 C ATOM 581 OD1 ASN A 38 -17.142 -5.251 11.768 1.00 1.03 O ATOM 582 ND2 ASN A 38 -15.844 -3.428 11.790 1.00 1.39 N ATOM 0 H ASN A 38 -18.195 -3.483 7.551 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.686 -4.230 8.553 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -17.193 -2.712 9.751 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -18.418 -3.958 9.889 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -15.467 -3.665 12.708 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -15.531 -2.583 11.312 1.00 1.39 H new ATOM 589 N ASP A 39 -17.990 -6.586 8.590 1.00 0.30 N ATOM 590 CA ASP A 39 -18.218 -8.019 8.769 1.00 0.38 C ATOM 591 C ASP A 39 -17.388 -8.839 7.782 1.00 0.33 C ATOM 592 O ASP A 39 -17.067 -9.998 8.039 1.00 0.41 O ATOM 593 CB ASP A 39 -19.708 -8.341 8.605 1.00 0.53 C ATOM 594 CG ASP A 39 -20.020 -9.821 8.767 1.00 1.14 C ATOM 595 OD1 ASP A 39 -19.777 -10.372 9.866 1.00 1.78 O ATOM 596 OD2 ASP A 39 -20.524 -10.435 7.804 1.00 1.77 O ATOM 0 H ASP A 39 -18.798 -6.073 8.237 1.00 0.30 H new ATOM 0 HA ASP A 39 -17.904 -8.288 9.777 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -20.279 -7.773 9.339 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -20.038 -8.012 7.620 1.00 0.53 H new ATOM 601 N ASN A 40 -16.974 -8.203 6.693 1.00 0.28 N ATOM 602 CA ASN A 40 -16.175 -8.878 5.677 1.00 0.34 C ATOM 603 C ASN A 40 -14.704 -8.496 5.811 1.00 0.32 C ATOM 604 O ASN A 40 -13.867 -8.921 5.019 1.00 0.46 O ATOM 605 CB ASN A 40 -16.688 -8.548 4.264 1.00 0.42 C ATOM 606 CG ASN A 40 -17.996 -9.255 3.939 1.00 0.92 C ATOM 607 OD1 ASN A 40 -17.990 -10.392 3.469 1.00 1.78 O ATOM 608 ND2 ASN A 40 -19.125 -8.590 4.154 1.00 0.78 N ATOM 0 H ASN A 40 -17.177 -7.224 6.491 1.00 0.28 H new ATOM 0 HA ASN A 40 -16.271 -9.953 5.832 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -16.829 -7.471 4.175 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -15.933 -8.833 3.531 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -20.022 -9.021 3.928 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -19.096 -7.648 4.545 1.00 0.78 H new ATOM 615 N GLY A 41 -14.402 -7.686 6.824 1.00 0.25 N ATOM 616 CA GLY A 41 -13.032 -7.262 7.068 1.00 0.33 C ATOM 617 C GLY A 41 -12.506 -6.308 6.009 1.00 0.28 C ATOM 618 O GLY A 41 -11.296 -6.190 5.824 1.00 0.37 O ATOM 0 H GLY A 41 -15.086 -7.314 7.483 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -12.976 -6.779 8.044 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.388 -8.140 7.109 1.00 0.33 H new ATOM 622 N VAL A 42 -13.407 -5.620 5.320 1.00 0.23 N ATOM 623 CA VAL A 42 -13.015 -4.691 4.283 1.00 0.26 C ATOM 624 C VAL A 42 -13.253 -3.260 4.732 1.00 0.36 C ATOM 625 O VAL A 42 -14.375 -2.876 5.066 1.00 0.46 O ATOM 626 CB VAL A 42 -13.788 -4.965 2.982 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.362 -3.987 1.904 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.556 -6.399 2.537 1.00 0.29 C ATOM 0 H VAL A 42 -14.414 -5.692 5.465 1.00 0.23 H new ATOM 0 HA VAL A 42 -11.951 -4.830 4.092 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.854 -4.827 3.162 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -13.916 -4.191 0.988 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -13.569 -2.969 2.234 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -12.294 -4.097 1.714 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.106 -6.587 1.615 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.492 -6.559 2.364 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -13.904 -7.081 3.313 1.00 0.29 H new ATOM 638 N ASP A 43 -12.182 -2.494 4.792 1.00 0.42 N ATOM 639 CA ASP A 43 -12.264 -1.090 5.176 1.00 0.55 C ATOM 640 C ASP A 43 -11.144 -0.315 4.490 1.00 0.47 C ATOM 641 O ASP A 43 -10.001 -0.311 4.953 1.00 0.68 O ATOM 642 CB ASP A 43 -12.172 -0.913 6.701 1.00 0.80 C ATOM 643 CG ASP A 43 -12.438 0.521 7.131 1.00 1.29 C ATOM 644 OD1 ASP A 43 -13.597 0.983 7.000 1.00 1.86 O ATOM 645 OD2 ASP A 43 -11.501 1.188 7.620 1.00 1.80 O ATOM 0 H ASP A 43 -11.238 -2.818 4.580 1.00 0.42 H new ATOM 0 HA ASP A 43 -13.232 -0.703 4.859 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -12.890 -1.575 7.186 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -11.181 -1.214 7.041 1.00 0.80 H new ATOM 650 N GLY A 44 -11.475 0.327 3.383 1.00 0.43 N ATOM 651 CA GLY A 44 -10.491 1.050 2.618 1.00 0.37 C ATOM 652 C GLY A 44 -10.954 2.443 2.284 1.00 0.34 C ATOM 653 O GLY A 44 -11.917 2.933 2.870 1.00 0.38 O ATOM 0 H GLY A 44 -12.419 0.359 2.999 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.559 1.102 3.181 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -10.277 0.508 1.697 1.00 0.37 H new ATOM 657 N GLU A 45 -10.220 3.108 1.407 1.00 0.34 N ATOM 658 CA GLU A 45 -10.569 4.455 0.979 1.00 0.35 C ATOM 659 C GLU A 45 -12.003 4.486 0.451 1.00 0.29 C ATOM 660 O GLU A 45 -12.394 3.645 -0.362 1.00 0.43 O ATOM 661 CB GLU A 45 -9.591 4.925 -0.097 1.00 0.45 C ATOM 662 CG GLU A 45 -8.149 4.954 0.381 1.00 1.27 C ATOM 663 CD GLU A 45 -7.165 5.172 -0.746 1.00 2.01 C ATOM 664 OE1 GLU A 45 -6.583 4.176 -1.228 1.00 2.79 O ATOM 665 OE2 GLU A 45 -6.955 6.336 -1.143 1.00 2.57 O ATOM 0 H GLU A 45 -9.374 2.736 0.975 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.503 5.130 1.832 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -9.668 4.266 -0.962 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -9.878 5.923 -0.429 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -8.031 5.747 1.119 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -7.918 4.014 0.883 1.00 1.27 H new ATOM 672 N TRP A 46 -12.786 5.429 0.959 1.00 0.22 N ATOM 673 CA TRP A 46 -14.197 5.552 0.574 1.00 0.24 C ATOM 674 C TRP A 46 -14.397 6.656 -0.461 1.00 0.28 C ATOM 675 O TRP A 46 -14.139 7.830 -0.194 1.00 0.41 O ATOM 676 CB TRP A 46 -15.115 5.792 1.799 1.00 0.31 C ATOM 677 CG TRP A 46 -15.621 4.504 2.410 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.859 3.553 3.027 1.00 0.32 C ATOM 679 CD2 TRP A 46 -16.982 4.022 2.477 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.639 2.505 3.436 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.938 2.764 3.117 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.233 4.508 2.059 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -18.076 1.997 3.340 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.361 3.740 2.293 1.00 0.32 C ATOM 685 CH2 TRP A 46 -19.275 2.499 2.928 1.00 0.35 C ATOM 0 H TRP A 46 -12.474 6.122 1.639 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.482 4.601 0.125 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.567 6.357 2.553 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -15.965 6.404 1.497 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.791 3.619 3.172 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -15.302 1.664 3.905 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.313 5.464 1.564 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -18.012 1.034 3.824 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.326 4.108 1.978 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -20.175 1.926 3.096 1.00 0.35 H new ATOM 696 N THR A 47 -14.813 6.258 -1.655 1.00 0.29 N ATOM 697 CA THR A 47 -15.088 7.190 -2.741 1.00 0.35 C ATOM 698 C THR A 47 -16.572 7.131 -3.117 1.00 0.31 C ATOM 699 O THR A 47 -17.250 6.139 -2.823 1.00 0.28 O ATOM 700 CB THR A 47 -14.209 6.869 -3.976 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.276 5.471 -4.290 1.00 0.53 O ATOM 702 CG2 THR A 47 -12.761 7.267 -3.727 1.00 0.63 C ATOM 0 H THR A 47 -14.970 5.280 -1.899 1.00 0.29 H new ATOM 0 HA THR A 47 -14.846 8.198 -2.403 1.00 0.35 H new ATOM 0 HB THR A 47 -14.592 7.444 -4.819 1.00 0.43 H new ATOM 0 HG1 THR A 47 -14.299 5.355 -5.263 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.163 7.032 -4.607 1.00 0.63 H new ATOM 0 HG22 THR A 47 -12.707 8.337 -3.526 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.375 6.717 -2.869 1.00 0.63 H new ATOM 710 N TYR A 48 -17.077 8.168 -3.783 1.00 0.38 N ATOM 711 CA TYR A 48 -18.496 8.217 -4.141 1.00 0.37 C ATOM 712 C TYR A 48 -18.698 8.891 -5.499 1.00 0.42 C ATOM 713 O TYR A 48 -17.865 9.676 -5.944 1.00 0.51 O ATOM 714 CB TYR A 48 -19.315 8.931 -3.037 1.00 0.41 C ATOM 715 CG TYR A 48 -20.796 9.121 -3.355 1.00 0.44 C ATOM 716 CD1 TYR A 48 -21.726 8.091 -3.175 1.00 1.14 C ATOM 717 CD2 TYR A 48 -21.263 10.335 -3.855 1.00 1.15 C ATOM 718 CE1 TYR A 48 -23.059 8.276 -3.477 1.00 1.18 C ATOM 719 CE2 TYR A 48 -22.599 10.517 -4.154 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.508 9.453 -3.908 1.00 0.61 C ATOM 721 OH TYR A 48 -24.821 9.668 -4.263 1.00 0.70 O ATOM 0 H TYR A 48 -16.534 8.977 -4.083 1.00 0.38 H new ATOM 0 HA TYR A 48 -18.860 7.193 -4.223 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.227 8.359 -2.113 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -18.870 9.909 -2.850 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -21.395 7.136 -2.794 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -20.569 11.147 -4.011 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -23.749 7.453 -3.362 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -22.947 11.452 -4.568 1.00 1.18 H new ATOM 0 HH TYR A 48 -24.935 10.599 -4.549 1.00 0.70 H new ATOM 731 N ASP A 49 -19.824 8.576 -6.133 1.00 0.42 N ATOM 732 CA ASP A 49 -20.186 9.147 -7.448 1.00 0.51 C ATOM 733 C ASP A 49 -21.672 9.520 -7.409 1.00 0.53 C ATOM 734 O ASP A 49 -22.505 8.695 -7.036 1.00 0.55 O ATOM 735 CB ASP A 49 -19.888 8.158 -8.610 1.00 0.57 C ATOM 736 CG ASP A 49 -20.272 8.714 -9.963 1.00 1.22 C ATOM 737 OD1 ASP A 49 -21.457 8.604 -10.347 1.00 2.07 O ATOM 738 OD2 ASP A 49 -19.393 9.287 -10.636 1.00 1.52 O ATOM 0 H ASP A 49 -20.514 7.923 -5.762 1.00 0.42 H new ATOM 0 HA ASP A 49 -19.580 10.033 -7.638 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -18.826 7.914 -8.610 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -20.429 7.228 -8.437 1.00 0.57 H new ATOM 743 N ASP A 50 -22.009 10.753 -7.796 1.00 0.68 N ATOM 744 CA ASP A 50 -23.380 11.256 -7.638 1.00 0.76 C ATOM 745 C ASP A 50 -24.306 10.745 -8.735 1.00 0.73 C ATOM 746 O ASP A 50 -25.521 10.675 -8.534 1.00 0.84 O ATOM 747 CB ASP A 50 -23.381 12.812 -7.641 1.00 1.00 C ATOM 748 CG ASP A 50 -23.217 13.392 -9.034 1.00 1.56 C ATOM 749 OD1 ASP A 50 -22.068 13.511 -9.506 1.00 2.28 O ATOM 750 OD2 ASP A 50 -24.243 13.726 -9.666 1.00 2.15 O ATOM 0 H ASP A 50 -21.360 11.417 -8.217 1.00 0.68 H new ATOM 0 HA ASP A 50 -23.754 10.885 -6.684 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -24.315 13.172 -7.209 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -22.574 13.174 -7.003 1.00 1.00 H new ATOM 755 N ALA A 51 -23.750 10.372 -9.874 1.00 0.70 N ATOM 756 CA ALA A 51 -24.566 9.900 -10.987 1.00 0.78 C ATOM 757 C ALA A 51 -25.019 8.453 -10.783 1.00 0.75 C ATOM 758 O ALA A 51 -26.158 8.103 -11.090 1.00 0.91 O ATOM 759 CB ALA A 51 -23.811 10.048 -12.298 1.00 0.91 C ATOM 0 H ALA A 51 -22.746 10.385 -10.056 1.00 0.70 H new ATOM 0 HA ALA A 51 -25.462 10.519 -11.027 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -24.434 9.691 -13.119 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -23.564 11.097 -12.459 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -22.893 9.461 -12.258 1.00 0.91 H new ATOM 765 N THR A 52 -24.148 7.630 -10.217 1.00 0.63 N ATOM 766 CA THR A 52 -24.455 6.218 -10.028 1.00 0.65 C ATOM 767 C THR A 52 -24.951 5.904 -8.616 1.00 0.55 C ATOM 768 O THR A 52 -25.453 4.809 -8.369 1.00 0.62 O ATOM 769 CB THR A 52 -23.219 5.350 -10.334 1.00 0.74 C ATOM 770 OG1 THR A 52 -22.067 5.917 -9.693 1.00 1.06 O ATOM 771 CG2 THR A 52 -22.978 5.259 -11.835 1.00 1.19 C ATOM 0 H THR A 52 -23.227 7.913 -9.882 1.00 0.63 H new ATOM 0 HA THR A 52 -25.260 5.984 -10.724 1.00 0.65 H new ATOM 0 HB THR A 52 -23.397 4.344 -9.953 1.00 0.74 H new ATOM 0 HG1 THR A 52 -21.865 6.788 -10.095 1.00 1.06 H new ATOM 0 HG21 THR A 52 -22.100 4.641 -12.026 1.00 1.19 H new ATOM 0 HG22 THR A 52 -23.848 4.812 -12.317 1.00 1.19 H new ATOM 0 HG23 THR A 52 -22.813 6.258 -12.238 1.00 1.19 H new ATOM 779 N LYS A 53 -24.762 6.854 -7.691 1.00 0.47 N ATOM 780 CA LYS A 53 -25.155 6.682 -6.271 1.00 0.46 C ATOM 781 C LYS A 53 -24.363 5.544 -5.635 1.00 0.39 C ATOM 782 O LYS A 53 -24.683 5.066 -4.544 1.00 0.49 O ATOM 783 CB LYS A 53 -26.653 6.388 -6.134 1.00 0.59 C ATOM 784 CG LYS A 53 -27.545 7.392 -6.843 1.00 0.81 C ATOM 785 CD LYS A 53 -27.260 8.820 -6.407 1.00 0.87 C ATOM 786 CE LYS A 53 -28.154 9.810 -7.139 1.00 1.57 C ATOM 787 NZ LYS A 53 -27.705 11.214 -6.943 1.00 2.08 N ATOM 0 H LYS A 53 -24.337 7.759 -7.895 1.00 0.47 H new ATOM 0 HA LYS A 53 -24.935 7.618 -5.757 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -26.856 5.393 -6.531 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.914 6.369 -5.076 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -27.401 7.307 -7.920 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -28.589 7.154 -6.642 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -27.415 8.912 -5.332 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -26.214 9.060 -6.600 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -28.159 9.576 -8.204 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -29.179 9.704 -6.784 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -28.428 11.864 -7.311 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -27.561 11.394 -5.929 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -26.811 11.367 -7.452 1.00 2.08 H new ATOM 801 N THR A 54 -23.328 5.120 -6.331 1.00 0.34 N ATOM 802 CA THR A 54 -22.505 4.008 -5.893 1.00 0.31 C ATOM 803 C THR A 54 -21.412 4.449 -4.916 1.00 0.28 C ATOM 804 O THR A 54 -20.728 5.450 -5.137 1.00 0.35 O ATOM 805 CB THR A 54 -21.843 3.307 -7.105 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.855 2.912 -8.042 1.00 0.51 O ATOM 807 CG2 THR A 54 -21.035 2.080 -6.675 1.00 0.41 C ATOM 0 H THR A 54 -23.033 5.535 -7.215 1.00 0.34 H new ATOM 0 HA THR A 54 -23.168 3.313 -5.378 1.00 0.31 H new ATOM 0 HB THR A 54 -21.157 4.015 -7.570 1.00 0.38 H new ATOM 0 HG1 THR A 54 -22.436 2.470 -8.810 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.586 1.615 -7.552 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.250 2.386 -5.984 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.694 1.365 -6.182 1.00 0.41 H new ATOM 815 N TYR A 55 -21.292 3.719 -3.816 1.00 0.21 N ATOM 816 CA TYR A 55 -20.206 3.923 -2.868 1.00 0.21 C ATOM 817 C TYR A 55 -19.115 2.917 -3.192 1.00 0.21 C ATOM 818 O TYR A 55 -19.390 1.730 -3.375 1.00 0.24 O ATOM 819 CB TYR A 55 -20.664 3.743 -1.406 1.00 0.24 C ATOM 820 CG TYR A 55 -21.355 4.949 -0.795 1.00 0.30 C ATOM 821 CD1 TYR A 55 -20.635 5.879 -0.053 1.00 1.14 C ATOM 822 CD2 TYR A 55 -22.720 5.157 -0.953 1.00 1.06 C ATOM 823 CE1 TYR A 55 -21.255 6.974 0.517 1.00 1.19 C ATOM 824 CE2 TYR A 55 -23.345 6.252 -0.385 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.608 7.157 0.346 1.00 0.56 C ATOM 826 OH TYR A 55 -23.230 8.245 0.916 1.00 0.70 O ATOM 0 H TYR A 55 -21.939 2.974 -3.557 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.844 4.947 -2.961 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.342 2.891 -1.356 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -19.795 3.494 -0.797 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -19.572 5.743 0.080 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -23.302 4.452 -1.529 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -20.680 7.683 1.094 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -24.407 6.397 -0.514 1.00 1.12 H new ATOM 0 HH TYR A 55 -23.835 7.942 1.625 1.00 0.70 H new ATOM 836 N THR A 56 -17.889 3.381 -3.297 1.00 0.24 N ATOM 837 CA THR A 56 -16.803 2.506 -3.677 1.00 0.29 C ATOM 838 C THR A 56 -15.750 2.421 -2.565 1.00 0.25 C ATOM 839 O THR A 56 -15.079 3.405 -2.254 1.00 0.28 O ATOM 840 CB THR A 56 -16.176 2.995 -5.000 1.00 0.38 C ATOM 841 OG1 THR A 56 -17.217 3.221 -5.959 1.00 0.96 O ATOM 842 CG2 THR A 56 -15.192 1.977 -5.564 1.00 0.74 C ATOM 0 H THR A 56 -17.621 4.350 -3.126 1.00 0.24 H new ATOM 0 HA THR A 56 -17.199 1.502 -3.829 1.00 0.29 H new ATOM 0 HB THR A 56 -15.633 3.918 -4.797 1.00 0.38 H new ATOM 0 HG1 THR A 56 -16.824 3.533 -6.801 1.00 0.96 H new ATOM 0 HG21 THR A 56 -14.771 2.356 -6.495 1.00 0.74 H new ATOM 0 HG22 THR A 56 -14.390 1.809 -4.845 1.00 0.74 H new ATOM 0 HG23 THR A 56 -15.710 1.037 -5.756 1.00 0.74 H new ATOM 850 N VAL A 57 -15.645 1.251 -1.936 1.00 0.24 N ATOM 851 CA VAL A 57 -14.652 1.047 -0.878 1.00 0.23 C ATOM 852 C VAL A 57 -13.473 0.264 -1.450 1.00 0.24 C ATOM 853 O VAL A 57 -13.601 -0.901 -1.839 1.00 0.30 O ATOM 854 CB VAL A 57 -15.217 0.346 0.408 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.754 -1.056 0.135 1.00 0.28 C ATOM 856 CG2 VAL A 57 -14.141 0.284 1.483 1.00 0.27 C ATOM 0 H VAL A 57 -16.227 0.438 -2.136 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.333 2.034 -0.544 1.00 0.23 H new ATOM 0 HB VAL A 57 -16.058 0.949 0.751 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -16.130 -1.488 1.062 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.562 -1.000 -0.594 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.953 -1.682 -0.258 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.542 -0.204 2.371 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -13.288 -0.283 1.111 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.822 1.295 1.737 1.00 0.27 H new ATOM 866 N THR A 58 -12.341 0.932 -1.573 1.00 0.26 N ATOM 867 CA THR A 58 -11.184 0.336 -2.224 1.00 0.30 C ATOM 868 C THR A 58 -10.066 0.020 -1.240 1.00 0.32 C ATOM 869 O THR A 58 -9.588 0.898 -0.519 1.00 0.36 O ATOM 870 CB THR A 58 -10.648 1.280 -3.310 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.747 1.860 -4.024 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.748 0.536 -4.286 1.00 0.52 C ATOM 0 H THR A 58 -12.196 1.883 -1.233 1.00 0.26 H new ATOM 0 HA THR A 58 -11.515 -0.603 -2.668 1.00 0.30 H new ATOM 0 HB THR A 58 -10.062 2.061 -2.827 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.405 2.464 -4.716 1.00 0.41 H new ATOM 0 HG21 THR A 58 -9.383 1.229 -5.044 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.902 0.108 -3.747 1.00 0.52 H new ATOM 0 HG23 THR A 58 -10.314 -0.262 -4.766 1.00 0.52 H new ATOM 880 N GLU A 59 -9.668 -1.244 -1.210 1.00 0.35 N ATOM 881 CA GLU A 59 -8.544 -1.675 -0.375 1.00 0.42 C ATOM 882 C GLU A 59 -7.240 -1.155 -0.984 1.00 0.53 C ATOM 883 O GLU A 59 -7.173 -0.922 -2.195 1.00 0.75 O ATOM 884 CB GLU A 59 -8.483 -3.206 -0.237 1.00 0.44 C ATOM 885 CG GLU A 59 -9.574 -3.803 0.642 1.00 0.78 C ATOM 886 CD GLU A 59 -9.399 -3.436 2.101 1.00 1.79 C ATOM 887 OE1 GLU A 59 -8.487 -3.983 2.748 1.00 2.34 O ATOM 888 OE2 GLU A 59 -10.183 -2.608 2.607 1.00 2.56 O ATOM 0 H GLU A 59 -10.102 -1.991 -1.751 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.686 -1.264 0.625 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -8.549 -3.651 -1.230 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -7.512 -3.483 0.172 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -10.547 -3.455 0.296 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -9.568 -4.888 0.539 1.00 0.78 H new ATOM 1067 N LEU A 75 25.704 -6.999 11.950 1.00 21.47 N ATOM 1068 CA LEU A 75 26.212 -6.497 13.218 1.00 21.98 C ATOM 1069 C LEU A 75 27.576 -5.835 13.036 1.00 22.04 C ATOM 1070 O LEU A 75 28.471 -6.415 12.418 1.00 21.90 O ATOM 1071 CB LEU A 75 26.322 -7.616 14.267 1.00 22.62 C ATOM 1072 CG LEU A 75 24.999 -8.132 14.858 1.00 22.85 C ATOM 1073 CD1 LEU A 75 24.187 -6.988 15.437 1.00 22.94 C ATOM 1074 CD2 LEU A 75 24.182 -8.892 13.824 1.00 22.46 C ATOM 0 HA LEU A 75 25.498 -5.755 13.576 1.00 21.98 H new ATOM 0 HB2 LEU A 75 26.845 -8.458 13.814 1.00 22.62 H new ATOM 0 HB3 LEU A 75 26.945 -7.256 15.086 1.00 22.62 H new ATOM 0 HG LEU A 75 25.248 -8.826 15.661 1.00 22.85 H new ATOM 0 HD11 LEU A 75 23.255 -7.375 15.850 1.00 22.94 H new ATOM 0 HD12 LEU A 75 24.758 -6.500 16.226 1.00 22.94 H new ATOM 0 HD13 LEU A 75 23.963 -6.266 14.651 1.00 22.94 H new ATOM 0 HD21 LEU A 75 23.255 -9.241 14.278 1.00 22.46 H new ATOM 0 HD22 LEU A 75 23.951 -8.233 12.987 1.00 22.46 H new ATOM 0 HD23 LEU A 75 24.755 -9.747 13.465 1.00 22.46 H new ATOM 1086 N PRO A 76 27.737 -4.581 13.500 1.00 22.33 N ATOM 1087 CA PRO A 76 29.031 -3.887 13.448 1.00 22.55 C ATOM 1088 C PRO A 76 30.069 -4.585 14.328 1.00 23.16 C ATOM 1089 O PRO A 76 29.711 -5.295 15.272 1.00 23.54 O ATOM 1090 CB PRO A 76 28.717 -2.481 14.006 1.00 22.90 C ATOM 1091 CG PRO A 76 27.244 -2.331 13.831 1.00 22.69 C ATOM 1092 CD PRO A 76 26.682 -3.720 14.062 1.00 22.58 C ATOM 0 HA PRO A 76 29.450 -3.868 12.442 1.00 22.55 H new ATOM 0 HB2 PRO A 76 29.003 -2.397 15.055 1.00 22.90 H new ATOM 0 HB3 PRO A 76 29.262 -1.708 13.464 1.00 22.90 H new ATOM 0 HG2 PRO A 76 26.832 -1.615 14.542 1.00 22.69 H new ATOM 0 HG3 PRO A 76 26.999 -1.966 12.833 1.00 22.69 H new ATOM 0 HD2 PRO A 76 26.514 -3.920 15.120 1.00 22.58 H new ATOM 0 HD3 PRO A 76 25.728 -3.862 13.555 1.00 22.58 H new ATOM 1100 N PRO A 77 31.361 -4.426 14.008 1.00 23.33 N ATOM 1101 CA PRO A 77 32.452 -5.030 14.780 1.00 24.01 C ATOM 1102 C PRO A 77 32.321 -4.765 16.274 1.00 24.77 C ATOM 1103 O PRO A 77 32.311 -3.616 16.714 1.00 25.03 O ATOM 1104 CB PRO A 77 33.687 -4.334 14.212 1.00 24.14 C ATOM 1105 CG PRO A 77 33.314 -4.120 12.797 1.00 23.57 C ATOM 1106 CD PRO A 77 31.875 -3.672 12.850 1.00 23.01 C ATOM 0 HA PRO A 77 32.474 -6.116 14.694 1.00 24.01 H new ATOM 0 HB2 PRO A 77 33.894 -3.394 14.723 1.00 24.14 H new ATOM 0 HB3 PRO A 77 34.580 -4.952 14.307 1.00 24.14 H new ATOM 0 HG2 PRO A 77 33.947 -3.366 12.329 1.00 23.57 H new ATOM 0 HG3 PRO A 77 33.424 -5.035 12.215 1.00 23.57 H new ATOM 0 HD2 PRO A 77 31.788 -2.595 12.993 1.00 23.01 H new ATOM 0 HD3 PRO A 77 31.338 -3.916 11.933 1.00 23.01 H new ATOM 1114 N GLY A 78 32.202 -5.834 17.038 1.00 25.21 N ATOM 1115 CA GLY A 78 32.035 -5.708 18.474 1.00 26.01 C ATOM 1116 C GLY A 78 30.600 -5.914 18.934 1.00 25.92 C ATOM 1117 O GLY A 78 30.377 -6.313 20.075 1.00 26.59 O ATOM 0 H GLY A 78 32.218 -6.793 16.692 1.00 25.21 H new ATOM 0 HA2 GLY A 78 32.677 -6.435 18.972 1.00 26.01 H new ATOM 0 HA3 GLY A 78 32.371 -4.719 18.786 1.00 26.01 H new ATOM 1121 N TRP A 79 29.623 -5.605 18.082 1.00 25.19 N ATOM 1122 CA TRP A 79 28.216 -5.813 18.450 1.00 25.16 C ATOM 1123 C TRP A 79 27.816 -7.265 18.200 1.00 24.97 C ATOM 1124 O TRP A 79 27.998 -7.774 17.090 1.00 24.43 O ATOM 1125 CB TRP A 79 27.278 -4.894 17.657 1.00 24.58 C ATOM 1126 CG TRP A 79 27.310 -3.464 18.110 1.00 24.92 C ATOM 1127 CD1 TRP A 79 28.205 -2.499 17.742 1.00 24.92 C ATOM 1128 CD2 TRP A 79 26.405 -2.834 19.035 1.00 25.44 C ATOM 1129 NE1 TRP A 79 27.911 -1.313 18.372 1.00 25.41 N ATOM 1130 CE2 TRP A 79 26.818 -1.496 19.175 1.00 25.73 C ATOM 1131 CE3 TRP A 79 25.285 -3.269 19.761 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 26.158 -0.590 20.007 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 24.638 -2.368 20.589 1.00 26.34 C ATOM 1134 CH2 TRP A 79 25.075 -1.047 20.704 1.00 26.61 C ATOM 0 H TRP A 79 29.770 -5.217 17.150 1.00 25.19 H new ATOM 0 HA TRP A 79 28.120 -5.574 19.509 1.00 25.16 H new ATOM 0 HB2 TRP A 79 27.547 -4.938 16.602 1.00 24.58 H new ATOM 0 HB3 TRP A 79 26.258 -5.270 17.741 1.00 24.58 H new ATOM 0 HD1 TRP A 79 29.025 -2.647 17.055 1.00 24.92 H new ATOM 0 HE1 TRP A 79 28.424 -0.439 18.259 1.00 25.41 H new ATOM 0 HE3 TRP A 79 24.935 -4.287 19.675 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 26.491 0.434 20.096 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 23.779 -2.693 21.157 1.00 26.34 H new ATOM 0 HH2 TRP A 79 24.545 -0.371 21.359 1.00 26.61 H new ATOM 1145 N GLU A 80 27.282 -7.938 19.215 1.00 25.51 N ATOM 1146 CA GLU A 80 26.869 -9.322 19.069 1.00 25.50 C ATOM 1147 C GLU A 80 25.385 -9.478 19.364 1.00 25.52 C ATOM 1148 O GLU A 80 24.867 -8.901 20.322 1.00 25.91 O ATOM 1149 CB GLU A 80 27.670 -10.231 20.006 1.00 26.28 C ATOM 1150 CG GLU A 80 29.162 -10.209 19.744 1.00 26.33 C ATOM 1151 CD GLU A 80 29.883 -11.300 20.495 1.00 26.69 C ATOM 1152 OE1 GLU A 80 30.399 -12.226 19.839 1.00 26.95 O ATOM 1153 OE2 GLU A 80 29.906 -11.256 21.743 1.00 26.80 O ATOM 0 H GLU A 80 27.127 -7.545 20.143 1.00 25.51 H new ATOM 0 HA GLU A 80 27.061 -9.615 18.037 1.00 25.50 H new ATOM 0 HB2 GLU A 80 27.486 -9.928 21.037 1.00 26.28 H new ATOM 0 HB3 GLU A 80 27.307 -11.254 19.904 1.00 26.28 H new ATOM 0 HG2 GLU A 80 29.344 -10.323 18.675 1.00 26.33 H new ATOM 0 HG3 GLU A 80 29.567 -9.240 20.035 1.00 26.33 H new ATOM 1160 N MET A 81 24.705 -10.253 18.533 1.00 25.18 N ATOM 1161 CA MET A 81 23.296 -10.538 18.737 1.00 25.27 C ATOM 1162 C MET A 81 23.156 -11.959 19.267 1.00 25.77 C ATOM 1163 O MET A 81 23.638 -12.902 18.643 1.00 25.60 O ATOM 1164 CB MET A 81 22.509 -10.381 17.434 1.00 24.50 C ATOM 1165 CG MET A 81 21.012 -10.623 17.603 1.00 24.68 C ATOM 1166 SD MET A 81 20.074 -10.327 16.088 1.00 24.52 S ATOM 1167 CE MET A 81 20.832 -11.517 14.985 1.00 24.27 C ATOM 0 H MET A 81 25.109 -10.697 17.708 1.00 25.18 H new ATOM 0 HA MET A 81 22.889 -9.829 19.457 1.00 25.27 H new ATOM 0 HB2 MET A 81 22.666 -9.376 17.041 1.00 24.50 H new ATOM 0 HB3 MET A 81 22.902 -11.078 16.694 1.00 24.50 H new ATOM 0 HG2 MET A 81 20.850 -11.650 17.929 1.00 24.68 H new ATOM 0 HG3 MET A 81 20.631 -9.974 18.392 1.00 24.68 H new ATOM 0 HE1 MET A 81 20.194 -11.663 14.113 1.00 24.27 H new ATOM 0 HE2 MET A 81 21.806 -11.147 14.664 1.00 24.27 H new ATOM 0 HE3 MET A 81 20.958 -12.466 15.505 1.00 24.27 H new ATOM 1177 N LYS A 82 22.497 -12.116 20.412 1.00 26.46 N ATOM 1178 CA LYS A 82 22.368 -13.431 21.040 1.00 27.08 C ATOM 1179 C LYS A 82 20.977 -13.565 21.655 1.00 27.55 C ATOM 1180 O LYS A 82 20.325 -12.564 21.948 1.00 27.58 O ATOM 1181 CB LYS A 82 23.488 -13.661 22.085 1.00 27.79 C ATOM 1182 CG LYS A 82 24.887 -13.657 21.474 1.00 27.45 C ATOM 1183 CD LYS A 82 25.979 -13.549 22.526 1.00 28.23 C ATOM 1184 CE LYS A 82 27.364 -13.670 21.895 1.00 28.14 C ATOM 1185 NZ LYS A 82 28.468 -13.341 22.839 1.00 28.22 N ATOM 0 H LYS A 82 22.047 -11.356 20.922 1.00 26.46 H new ATOM 0 HA LYS A 82 22.485 -14.206 20.282 1.00 27.08 H new ATOM 0 HB2 LYS A 82 23.429 -12.885 22.848 1.00 27.79 H new ATOM 0 HB3 LYS A 82 23.319 -14.614 22.586 1.00 27.79 H new ATOM 0 HG2 LYS A 82 25.031 -14.571 20.897 1.00 27.45 H new ATOM 0 HG3 LYS A 82 24.974 -12.823 20.777 1.00 27.45 H new ATOM 0 HD2 LYS A 82 25.895 -12.594 23.045 1.00 28.23 H new ATOM 0 HD3 LYS A 82 25.847 -14.331 23.273 1.00 28.23 H new ATOM 0 HE2 LYS A 82 27.501 -14.686 21.526 1.00 28.14 H new ATOM 0 HE3 LYS A 82 27.422 -13.007 21.032 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 28.974 -12.497 22.501 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 28.073 -13.153 23.783 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 29.129 -14.142 22.893 1.00 28.22 H new ATOM 1199 N TYR A 83 20.486 -14.792 21.776 1.00 27.96 N ATOM 1200 CA TYR A 83 19.126 -15.021 22.264 1.00 28.50 C ATOM 1201 C TYR A 83 19.122 -15.830 23.554 1.00 29.50 C ATOM 1202 O TYR A 83 20.099 -16.507 23.883 1.00 29.77 O ATOM 1203 CB TYR A 83 18.297 -15.760 21.192 1.00 28.32 C ATOM 1204 CG TYR A 83 18.188 -15.014 19.884 1.00 27.47 C ATOM 1205 CD1 TYR A 83 19.083 -15.253 18.853 1.00 27.19 C ATOM 1206 CD2 TYR A 83 17.196 -14.068 19.684 1.00 27.03 C ATOM 1207 CE1 TYR A 83 18.996 -14.569 17.657 1.00 26.48 C ATOM 1208 CE2 TYR A 83 17.099 -13.380 18.490 1.00 26.32 C ATOM 1209 CZ TYR A 83 18.001 -13.631 17.481 1.00 26.04 C ATOM 1210 OH TYR A 83 17.910 -12.939 16.295 1.00 25.39 O ATOM 0 H TYR A 83 21.003 -15.641 21.545 1.00 27.96 H new ATOM 0 HA TYR A 83 18.681 -14.047 22.470 1.00 28.50 H new ATOM 0 HB2 TYR A 83 18.747 -16.735 21.007 1.00 28.32 H new ATOM 0 HB3 TYR A 83 17.295 -15.940 21.581 1.00 28.32 H new ATOM 0 HD1 TYR A 83 19.863 -15.988 18.988 1.00 27.19 H new ATOM 0 HD2 TYR A 83 16.488 -13.865 20.474 1.00 27.03 H new ATOM 0 HE1 TYR A 83 19.703 -14.767 16.865 1.00 26.48 H new ATOM 0 HE2 TYR A 83 16.318 -12.648 18.349 1.00 26.32 H new ATOM 0 HH TYR A 83 18.555 -12.201 16.296 1.00 25.39 H new ATOM 1220 N THR A 84 18.029 -15.733 24.297 1.00 30.09 N ATOM 1221 CA THR A 84 17.865 -16.501 25.517 1.00 31.09 C ATOM 1222 C THR A 84 17.066 -17.764 25.190 1.00 31.47 C ATOM 1223 O THR A 84 16.492 -17.869 24.102 1.00 30.98 O ATOM 1224 CB THR A 84 17.146 -15.683 26.623 1.00 31.69 C ATOM 1225 OG1 THR A 84 15.744 -15.592 26.339 1.00 31.75 O ATOM 1226 CG2 THR A 84 17.725 -14.277 26.733 1.00 31.35 C ATOM 0 H THR A 84 17.240 -15.126 24.073 1.00 30.09 H new ATOM 0 HA THR A 84 18.850 -16.762 25.903 1.00 31.09 H new ATOM 0 HB THR A 84 17.299 -16.201 27.570 1.00 31.69 H new ATOM 0 HG1 THR A 84 15.261 -15.340 27.154 1.00 31.75 H new ATOM 0 HG21 THR A 84 17.201 -13.728 27.516 1.00 31.35 H new ATOM 0 HG22 THR A 84 18.785 -14.338 26.980 1.00 31.35 H new ATOM 0 HG23 THR A 84 17.603 -13.758 25.782 1.00 31.35 H new ATOM 1234 N SER A 85 16.976 -18.693 26.134 1.00 32.40 N ATOM 1235 CA SER A 85 16.270 -19.954 25.909 1.00 32.91 C ATOM 1236 C SER A 85 14.744 -19.767 25.981 1.00 33.07 C ATOM 1237 O SER A 85 13.985 -20.734 26.013 1.00 33.44 O ATOM 1238 CB SER A 85 16.725 -20.986 26.931 1.00 33.91 C ATOM 1239 OG SER A 85 16.230 -22.286 26.635 1.00 34.32 O ATOM 0 H SER A 85 17.383 -18.599 27.065 1.00 32.40 H new ATOM 0 HA SER A 85 16.511 -20.306 24.906 1.00 32.91 H new ATOM 0 HB2 SER A 85 17.814 -21.011 26.960 1.00 33.91 H new ATOM 0 HB3 SER A 85 16.387 -20.687 27.923 1.00 33.91 H new ATOM 0 HG SER A 85 15.280 -22.229 26.401 1.00 34.32 H new ATOM 1245 N GLU A 86 14.300 -18.519 25.934 1.00 32.82 N ATOM 1246 CA GLU A 86 12.872 -18.207 26.029 1.00 33.03 C ATOM 1247 C GLU A 86 12.417 -17.453 24.788 1.00 32.13 C ATOM 1248 O GLU A 86 11.262 -17.047 24.682 1.00 32.23 O ATOM 1249 CB GLU A 86 12.611 -17.355 27.278 1.00 33.61 C ATOM 1250 CG GLU A 86 13.117 -17.998 28.553 1.00 34.45 C ATOM 1251 CD GLU A 86 13.115 -17.042 29.726 1.00 34.93 C ATOM 1252 OE1 GLU A 86 14.177 -16.463 30.034 1.00 34.87 O ATOM 1253 OE2 GLU A 86 12.041 -16.859 30.342 1.00 35.43 O ATOM 0 H GLU A 86 14.904 -17.703 25.831 1.00 32.82 H new ATOM 0 HA GLU A 86 12.310 -19.138 26.103 1.00 33.03 H new ATOM 0 HB2 GLU A 86 13.089 -16.383 27.154 1.00 33.61 H new ATOM 0 HB3 GLU A 86 11.540 -17.174 27.370 1.00 33.61 H new ATOM 0 HG2 GLU A 86 12.496 -18.862 28.791 1.00 34.45 H new ATOM 0 HG3 GLU A 86 14.130 -18.368 28.392 1.00 34.45 H new ATOM 1260 N GLY A 87 13.337 -17.271 23.851 1.00 31.30 N ATOM 1261 CA GLY A 87 13.027 -16.531 22.644 1.00 30.42 C ATOM 1262 C GLY A 87 13.148 -15.033 22.841 1.00 30.02 C ATOM 1263 O GLY A 87 12.594 -14.250 22.065 1.00 29.44 O ATOM 0 H GLY A 87 14.293 -17.623 23.905 1.00 31.30 H new ATOM 0 HA2 GLY A 87 13.698 -16.846 21.845 1.00 30.42 H new ATOM 0 HA3 GLY A 87 12.014 -16.772 22.323 1.00 30.42 H new ATOM 1267 N VAL A 88 13.877 -14.631 23.878 1.00 30.40 N ATOM 1268 CA VAL A 88 14.077 -13.221 24.170 1.00 30.17 C ATOM 1269 C VAL A 88 15.383 -12.749 23.541 1.00 29.38 C ATOM 1270 O VAL A 88 16.359 -13.500 23.479 1.00 29.40 O ATOM 1271 CB VAL A 88 14.084 -12.948 25.693 1.00 31.05 C ATOM 1272 CG1 VAL A 88 14.329 -11.477 25.997 1.00 30.89 C ATOM 1273 CG2 VAL A 88 12.773 -13.391 26.313 1.00 31.86 C ATOM 0 H VAL A 88 14.339 -15.266 24.530 1.00 30.40 H new ATOM 0 HA VAL A 88 13.243 -12.664 23.743 1.00 30.17 H new ATOM 0 HB VAL A 88 14.902 -13.523 26.127 1.00 31.05 H new ATOM 0 HG11 VAL A 88 14.327 -11.323 27.076 1.00 30.89 H new ATOM 0 HG12 VAL A 88 15.294 -11.177 25.589 1.00 30.89 H new ATOM 0 HG13 VAL A 88 13.541 -10.876 25.543 1.00 30.89 H new ATOM 0 HG21 VAL A 88 12.792 -13.193 27.385 1.00 31.86 H new ATOM 0 HG22 VAL A 88 11.950 -12.840 25.857 1.00 31.86 H new ATOM 0 HG23 VAL A 88 12.633 -14.459 26.144 1.00 31.86 H new ATOM 1283 N ARG A 89 15.378 -11.521 23.051 1.00 28.74 N ATOM 1284 CA ARG A 89 16.523 -10.953 22.358 1.00 27.99 C ATOM 1285 C ARG A 89 17.347 -10.066 23.287 1.00 28.23 C ATOM 1286 O ARG A 89 16.794 -9.234 23.997 1.00 28.54 O ATOM 1287 CB ARG A 89 16.022 -10.101 21.190 1.00 27.21 C ATOM 1288 CG ARG A 89 16.839 -10.219 19.918 1.00 26.48 C ATOM 1289 CD ARG A 89 16.329 -9.252 18.864 1.00 25.83 C ATOM 1290 NE ARG A 89 16.691 -9.673 17.512 1.00 25.29 N ATOM 1291 CZ ARG A 89 16.106 -9.202 16.418 1.00 24.70 C ATOM 1292 NH1 ARG A 89 15.213 -8.220 16.510 1.00 24.55 N ATOM 1293 NH2 ARG A 89 16.433 -9.697 15.228 1.00 24.34 N ATOM 0 H ARG A 89 14.580 -10.889 23.122 1.00 28.74 H new ATOM 0 HA ARG A 89 17.152 -11.771 22.006 1.00 27.99 H new ATOM 0 HB2 ARG A 89 14.992 -10.381 20.970 1.00 27.21 H new ATOM 0 HB3 ARG A 89 16.009 -9.056 21.501 1.00 27.21 H new ATOM 0 HG2 ARG A 89 17.888 -10.012 20.132 1.00 26.48 H new ATOM 0 HG3 ARG A 89 16.786 -11.240 19.539 1.00 26.48 H new ATOM 0 HD2 ARG A 89 15.245 -9.172 18.940 1.00 25.83 H new ATOM 0 HD3 ARG A 89 16.736 -8.259 19.056 1.00 25.83 H new ATOM 0 HE ARG A 89 17.432 -10.365 17.404 1.00 25.29 H new ATOM 0 HH11 ARG A 89 14.978 -7.829 17.422 1.00 24.55 H new ATOM 0 HH12 ARG A 89 14.764 -7.859 15.669 1.00 24.55 H new ATOM 0 HH21 ARG A 89 17.132 -10.437 15.158 1.00 24.34 H new ATOM 0 HH22 ARG A 89 15.985 -9.337 14.385 1.00 24.34 H new ATOM 1307 N TYR A 90 18.657 -10.264 23.312 1.00 28.18 N ATOM 1308 CA TYR A 90 19.531 -9.368 24.051 1.00 28.46 C ATOM 1309 C TYR A 90 20.792 -9.108 23.226 1.00 27.80 C ATOM 1310 O TYR A 90 21.179 -9.942 22.407 1.00 27.31 O ATOM 1311 CB TYR A 90 19.876 -9.906 25.450 1.00 29.43 C ATOM 1312 CG TYR A 90 20.795 -11.110 25.509 1.00 29.57 C ATOM 1313 CD1 TYR A 90 22.141 -10.978 25.826 1.00 29.65 C ATOM 1314 CD2 TYR A 90 20.319 -12.375 25.191 1.00 29.70 C ATOM 1315 CE1 TYR A 90 22.986 -12.074 25.831 1.00 29.86 C ATOM 1316 CE2 TYR A 90 21.152 -13.476 25.201 1.00 29.91 C ATOM 1317 CZ TYR A 90 22.480 -13.317 25.713 1.00 30.05 C ATOM 1318 OH TYR A 90 23.319 -14.421 25.514 1.00 30.27 O ATOM 0 H TYR A 90 19.133 -11.029 22.834 1.00 28.18 H new ATOM 0 HA TYR A 90 19.003 -8.429 24.214 1.00 28.46 H new ATOM 0 HB2 TYR A 90 20.335 -9.099 26.021 1.00 29.43 H new ATOM 0 HB3 TYR A 90 18.945 -10.164 25.955 1.00 29.43 H new ATOM 0 HD1 TYR A 90 22.535 -10.003 26.073 1.00 29.65 H new ATOM 0 HD2 TYR A 90 19.278 -12.500 24.931 1.00 29.70 H new ATOM 0 HE1 TYR A 90 24.052 -11.933 25.930 1.00 29.86 H new ATOM 0 HE2 TYR A 90 20.811 -14.432 24.832 1.00 29.91 H new ATOM 0 HH TYR A 90 22.778 -15.236 25.453 1.00 30.27 H new ATOM 1328 N PHE A 91 21.412 -7.951 23.402 1.00 27.84 N ATOM 1329 CA PHE A 91 22.591 -7.616 22.624 1.00 27.29 C ATOM 1330 C PHE A 91 23.810 -7.522 23.522 1.00 27.91 C ATOM 1331 O PHE A 91 23.709 -7.150 24.695 1.00 28.69 O ATOM 1332 CB PHE A 91 22.393 -6.316 21.834 1.00 26.81 C ATOM 1333 CG PHE A 91 21.613 -6.500 20.555 1.00 26.08 C ATOM 1334 CD1 PHE A 91 20.275 -6.877 20.571 1.00 25.34 C ATOM 1335 CD2 PHE A 91 22.231 -6.305 19.329 1.00 26.22 C ATOM 1336 CE1 PHE A 91 19.578 -7.054 19.390 1.00 24.76 C ATOM 1337 CE2 PHE A 91 21.536 -6.476 18.146 1.00 25.66 C ATOM 1338 CZ PHE A 91 20.207 -6.852 18.177 1.00 24.89 C ATOM 0 H PHE A 91 21.121 -7.236 24.069 1.00 27.84 H new ATOM 0 HA PHE A 91 22.753 -8.416 21.902 1.00 27.29 H new ATOM 0 HB2 PHE A 91 21.876 -5.593 22.464 1.00 26.81 H new ATOM 0 HB3 PHE A 91 23.369 -5.892 21.597 1.00 26.81 H new ATOM 0 HD1 PHE A 91 19.775 -7.033 21.515 1.00 25.34 H new ATOM 0 HD2 PHE A 91 23.271 -6.015 19.298 1.00 26.22 H new ATOM 0 HE1 PHE A 91 18.540 -7.351 19.416 1.00 24.76 H new ATOM 0 HE2 PHE A 91 22.031 -6.316 17.200 1.00 25.66 H new ATOM 0 HZ PHE A 91 19.661 -6.988 17.255 1.00 24.89 H new ATOM 1348 N VAL A 92 24.950 -7.907 22.984 1.00 27.61 N ATOM 1349 CA VAL A 92 26.182 -7.935 23.745 1.00 28.23 C ATOM 1350 C VAL A 92 27.195 -6.940 23.184 1.00 27.94 C ATOM 1351 O VAL A 92 27.663 -7.094 22.051 1.00 27.26 O ATOM 1352 CB VAL A 92 26.797 -9.354 23.722 1.00 28.37 C ATOM 1353 CG1 VAL A 92 28.054 -9.434 24.575 1.00 29.13 C ATOM 1354 CG2 VAL A 92 25.779 -10.389 24.174 1.00 28.67 C ATOM 0 H VAL A 92 25.048 -8.207 22.014 1.00 27.61 H new ATOM 0 HA VAL A 92 25.944 -7.656 24.772 1.00 28.23 H new ATOM 0 HB VAL A 92 27.081 -9.571 22.692 1.00 28.37 H new ATOM 0 HG11 VAL A 92 28.458 -10.446 24.534 1.00 29.13 H new ATOM 0 HG12 VAL A 92 28.796 -8.732 24.196 1.00 29.13 H new ATOM 0 HG13 VAL A 92 27.810 -9.182 25.607 1.00 29.13 H new ATOM 0 HG21 VAL A 92 26.232 -11.380 24.150 1.00 28.67 H new ATOM 0 HG22 VAL A 92 25.456 -10.162 25.190 1.00 28.67 H new ATOM 0 HG23 VAL A 92 24.918 -10.368 23.506 1.00 28.67 H new ATOM 1364 N ASP A 93 27.464 -5.877 23.936 1.00 28.50 N ATOM 1365 CA ASP A 93 28.524 -4.934 23.558 1.00 28.42 C ATOM 1366 C ASP A 93 29.858 -5.609 23.864 1.00 28.86 C ATOM 1367 O ASP A 93 30.380 -5.477 24.967 1.00 29.70 O ATOM 1368 CB ASP A 93 28.429 -3.604 24.345 1.00 29.01 C ATOM 1369 CG ASP A 93 27.824 -2.468 23.538 1.00 28.68 C ATOM 1370 OD1 ASP A 93 26.636 -2.141 23.752 1.00 28.33 O ATOM 1371 OD2 ASP A 93 28.551 -1.873 22.716 1.00 28.82 O ATOM 0 H ASP A 93 26.973 -5.644 24.800 1.00 28.50 H new ATOM 0 HA ASP A 93 28.425 -4.687 22.501 1.00 28.42 H new ATOM 0 HB2 ASP A 93 27.829 -3.763 25.241 1.00 29.01 H new ATOM 0 HB3 ASP A 93 29.426 -3.314 24.676 1.00 29.01 H new ATOM 1376 N HIS A 94 30.388 -6.388 22.920 1.00 28.36 N ATOM 1377 CA HIS A 94 31.587 -7.183 23.180 1.00 28.81 C ATOM 1378 C HIS A 94 32.842 -6.312 23.196 1.00 29.31 C ATOM 1379 O HIS A 94 33.941 -6.796 23.461 1.00 29.90 O ATOM 1380 CB HIS A 94 31.724 -8.299 22.138 1.00 28.18 C ATOM 1381 CG HIS A 94 32.613 -9.422 22.572 1.00 28.49 C ATOM 1382 ND1 HIS A 94 33.535 -10.015 21.745 1.00 28.32 N ATOM 1383 CD2 HIS A 94 32.704 -10.070 23.756 1.00 29.05 C ATOM 1384 CE1 HIS A 94 34.159 -10.974 22.399 1.00 28.75 C ATOM 1385 NE2 HIS A 94 33.672 -11.031 23.624 1.00 29.20 N ATOM 0 H HIS A 94 30.010 -6.485 21.978 1.00 28.36 H new ATOM 0 HA HIS A 94 31.481 -7.633 24.167 1.00 28.81 H new ATOM 0 HB2 HIS A 94 30.735 -8.697 21.913 1.00 28.18 H new ATOM 0 HB3 HIS A 94 32.115 -7.875 21.213 1.00 28.18 H new ATOM 0 HD2 HIS A 94 32.121 -9.867 24.642 1.00 29.05 H new ATOM 0 HE1 HIS A 94 34.938 -11.607 22.000 1.00 28.75 H new ATOM 0 HE2 HIS A 94 33.967 -11.682 24.352 1.00 29.20 H new ATOM 1394 N ASN A 95 32.670 -5.026 22.935 1.00 29.17 N ATOM 1395 CA ASN A 95 33.791 -4.092 22.974 1.00 29.71 C ATOM 1396 C ASN A 95 34.153 -3.777 24.426 1.00 30.73 C ATOM 1397 O ASN A 95 35.329 -3.737 24.784 1.00 31.42 O ATOM 1398 CB ASN A 95 33.463 -2.804 22.199 1.00 29.28 C ATOM 1399 CG ASN A 95 32.194 -2.133 22.683 1.00 29.19 C ATOM 1400 OD1 ASN A 95 32.221 -1.301 23.584 1.00 29.80 O ATOM 1401 ND2 ASN A 95 31.076 -2.491 22.077 1.00 28.49 N ATOM 0 H ASN A 95 31.773 -4.604 22.695 1.00 29.17 H new ATOM 0 HA ASN A 95 34.650 -4.557 22.490 1.00 29.71 H new ATOM 0 HB2 ASN A 95 34.296 -2.107 22.293 1.00 29.28 H new ATOM 0 HB3 ASN A 95 33.363 -3.039 21.139 1.00 29.28 H new ATOM 0 HD21 ASN A 95 30.189 -2.071 22.354 1.00 28.49 H new ATOM 0 HD22 ASN A 95 31.100 -3.187 21.332 1.00 28.49 H new ATOM 1408 N THR A 96 33.134 -3.576 25.257 1.00 30.87 N ATOM 1409 CA THR A 96 33.339 -3.334 26.682 1.00 31.86 C ATOM 1410 C THR A 96 32.981 -4.579 27.483 1.00 32.23 C ATOM 1411 O THR A 96 33.327 -4.700 28.659 1.00 33.14 O ATOM 1412 CB THR A 96 32.485 -2.147 27.184 1.00 31.96 C ATOM 1413 OG1 THR A 96 31.138 -2.271 26.708 1.00 31.19 O ATOM 1414 CG2 THR A 96 33.068 -0.818 26.726 1.00 32.02 C ATOM 0 H THR A 96 32.156 -3.576 24.967 1.00 30.87 H new ATOM 0 HA THR A 96 34.392 -3.090 26.824 1.00 31.86 H new ATOM 0 HB THR A 96 32.489 -2.169 28.274 1.00 31.96 H new ATOM 0 HG1 THR A 96 30.596 -2.736 27.379 1.00 31.19 H new ATOM 0 HG21 THR A 96 32.446 -0.002 27.094 1.00 32.02 H new ATOM 0 HG22 THR A 96 34.079 -0.710 27.119 1.00 32.02 H new ATOM 0 HG23 THR A 96 33.097 -0.789 25.637 1.00 32.02 H new ATOM 1422 N ARG A 97 32.307 -5.506 26.805 1.00 31.56 N ATOM 1423 CA ARG A 97 31.820 -6.750 27.403 1.00 31.87 C ATOM 1424 C ARG A 97 30.749 -6.473 28.438 1.00 32.27 C ATOM 1425 O ARG A 97 30.949 -6.632 29.643 1.00 33.03 O ATOM 1426 CB ARG A 97 32.958 -7.583 27.975 1.00 32.70 C ATOM 1427 CG ARG A 97 33.821 -8.188 26.889 1.00 32.43 C ATOM 1428 CD ARG A 97 34.848 -9.151 27.451 1.00 33.36 C ATOM 1429 NE ARG A 97 34.231 -10.298 28.112 1.00 33.97 N ATOM 1430 CZ ARG A 97 34.736 -10.889 29.190 1.00 34.73 C ATOM 1431 NH1 ARG A 97 35.862 -10.444 29.725 1.00 35.00 N ATOM 1432 NH2 ARG A 97 34.115 -11.926 29.731 1.00 35.29 N ATOM 0 H ARG A 97 32.081 -5.415 25.815 1.00 31.56 H new ATOM 0 HA ARG A 97 31.364 -7.342 26.609 1.00 31.87 H new ATOM 0 HB2 ARG A 97 33.574 -6.959 28.622 1.00 32.70 H new ATOM 0 HB3 ARG A 97 32.548 -8.379 28.597 1.00 32.70 H new ATOM 0 HG2 ARG A 97 33.188 -8.711 26.172 1.00 32.43 H new ATOM 0 HG3 ARG A 97 34.330 -7.392 26.345 1.00 32.43 H new ATOM 0 HD2 ARG A 97 35.492 -9.503 26.645 1.00 33.36 H new ATOM 0 HD3 ARG A 97 35.485 -8.625 28.162 1.00 33.36 H new ATOM 0 HE ARG A 97 33.363 -10.667 27.724 1.00 33.97 H new ATOM 0 HH11 ARG A 97 36.343 -9.646 29.310 1.00 35.00 H new ATOM 0 HH12 ARG A 97 36.248 -10.899 30.552 1.00 35.00 H new ATOM 0 HH21 ARG A 97 33.248 -12.272 29.320 1.00 35.29 H new ATOM 0 HH22 ARG A 97 34.504 -12.379 30.558 1.00 35.29 H new ATOM 1446 N THR A 98 29.617 -6.038 27.925 1.00 31.75 N ATOM 1447 CA THR A 98 28.445 -5.721 28.727 1.00 32.09 C ATOM 1448 C THR A 98 27.183 -6.151 27.979 1.00 31.35 C ATOM 1449 O THR A 98 27.208 -6.281 26.754 1.00 30.48 O ATOM 1450 CB THR A 98 28.380 -4.209 29.042 1.00 32.35 C ATOM 1451 OG1 THR A 98 28.833 -3.448 27.908 1.00 32.15 O ATOM 1452 CG2 THR A 98 29.230 -3.861 30.262 1.00 32.59 C ATOM 0 H THR A 98 29.479 -5.891 26.925 1.00 31.75 H new ATOM 0 HA THR A 98 28.515 -6.261 29.671 1.00 32.09 H new ATOM 0 HB THR A 98 27.342 -3.958 29.261 1.00 32.35 H new ATOM 0 HG1 THR A 98 28.787 -2.492 28.116 1.00 32.15 H new ATOM 0 HG21 THR A 98 29.164 -2.791 30.458 1.00 32.59 H new ATOM 0 HG22 THR A 98 28.865 -4.412 31.129 1.00 32.59 H new ATOM 0 HG23 THR A 98 30.269 -4.131 30.071 1.00 32.59 H new ATOM 1460 N THR A 99 26.095 -6.398 28.698 1.00 31.74 N ATOM 1461 CA THR A 99 24.858 -6.844 28.056 1.00 31.18 C ATOM 1462 C THR A 99 23.810 -5.726 28.055 1.00 31.15 C ATOM 1463 O THR A 99 23.705 -4.977 29.025 1.00 31.92 O ATOM 1464 CB THR A 99 24.286 -8.093 28.777 1.00 31.73 C ATOM 1465 OG1 THR A 99 24.328 -7.882 30.199 1.00 32.77 O ATOM 1466 CG2 THR A 99 25.086 -9.361 28.430 1.00 31.59 C ATOM 0 H THR A 99 26.040 -6.300 29.712 1.00 31.74 H new ATOM 0 HA THR A 99 25.095 -7.106 27.025 1.00 31.18 H new ATOM 0 HB THR A 99 23.258 -8.236 28.443 1.00 31.73 H new ATOM 0 HG1 THR A 99 23.966 -8.669 30.657 1.00 32.77 H new ATOM 0 HG21 THR A 99 24.657 -10.216 28.953 1.00 31.59 H new ATOM 0 HG22 THR A 99 25.044 -9.535 27.355 1.00 31.59 H new ATOM 0 HG23 THR A 99 26.124 -9.232 28.737 1.00 31.59 H new ATOM 1474 N THR A 100 23.030 -5.621 26.978 1.00 30.32 N ATOM 1475 CA THR A 100 22.019 -4.582 26.866 1.00 30.31 C ATOM 1476 C THR A 100 20.846 -5.060 26.004 1.00 29.79 C ATOM 1477 O THR A 100 20.979 -6.013 25.242 1.00 29.19 O ATOM 1478 CB THR A 100 22.618 -3.285 26.270 1.00 29.94 C ATOM 1479 OG1 THR A 100 21.655 -2.223 26.311 1.00 30.23 O ATOM 1480 CG2 THR A 100 23.085 -3.498 24.830 1.00 28.90 C ATOM 0 H THR A 100 23.083 -6.246 26.173 1.00 30.32 H new ATOM 0 HA THR A 100 21.654 -4.364 27.870 1.00 30.31 H new ATOM 0 HB THR A 100 23.482 -3.013 26.876 1.00 29.94 H new ATOM 0 HG1 THR A 100 22.049 -1.409 25.932 1.00 30.23 H new ATOM 0 HG21 THR A 100 23.500 -2.568 24.441 1.00 28.90 H new ATOM 0 HG22 THR A 100 23.849 -4.275 24.807 1.00 28.90 H new ATOM 0 HG23 THR A 100 22.239 -3.803 24.214 1.00 28.90 H new ATOM 1488 N PHE A 101 19.690 -4.430 26.159 1.00 30.11 N ATOM 1489 CA PHE A 101 18.515 -4.787 25.379 1.00 29.74 C ATOM 1490 C PHE A 101 18.206 -3.692 24.364 1.00 29.28 C ATOM 1491 O PHE A 101 17.801 -2.588 24.737 1.00 29.75 O ATOM 1492 CB PHE A 101 17.310 -5.018 26.296 1.00 30.55 C ATOM 1493 CG PHE A 101 17.358 -6.325 27.034 1.00 30.86 C ATOM 1494 CD1 PHE A 101 16.651 -7.427 26.583 1.00 30.67 C ATOM 1495 CD2 PHE A 101 18.125 -6.449 28.179 1.00 31.41 C ATOM 1496 CE1 PHE A 101 16.704 -8.627 27.264 1.00 31.03 C ATOM 1497 CE2 PHE A 101 18.181 -7.645 28.868 1.00 31.76 C ATOM 1498 CZ PHE A 101 17.423 -8.750 28.390 1.00 31.57 C ATOM 0 H PHE A 101 19.541 -3.667 26.820 1.00 30.11 H new ATOM 0 HA PHE A 101 18.722 -5.714 24.844 1.00 29.74 H new ATOM 0 HB2 PHE A 101 17.253 -4.204 27.019 1.00 30.55 H new ATOM 0 HB3 PHE A 101 16.398 -4.980 25.700 1.00 30.55 H new ATOM 0 HD1 PHE A 101 16.051 -7.347 25.688 1.00 30.67 H new ATOM 0 HD2 PHE A 101 18.687 -5.600 28.539 1.00 31.41 H new ATOM 0 HE1 PHE A 101 16.159 -9.479 26.885 1.00 31.03 H new ATOM 0 HE2 PHE A 101 18.790 -7.740 29.755 1.00 31.76 H new ATOM 0 HZ PHE A 101 17.426 -9.684 28.932 1.00 31.57 H new