USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 807 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 82 THR OG1 : rot -129:sc= 1.09 USER MOD Set 1.2: A 108 LYS NZ :NH3+ 159:sc= 1.13 (180deg=-0.304) USER MOD Set 2.1: A 72 HIS : no HE2:sc= -3.44! C(o=-6.4!,f=-13!) USER MOD Set 2.2: A 74 HIS : no HE2:sc= -2.91 K(o=-6.4,f=-9.1) USER MOD Set 3.1: A 28 SER OG : rot 54:sc= 1.24 USER MOD Set 3.2: A 31 THR OG1 : rot -84:sc= -0.914 USER MOD Set 3.3: A 89 TYR OH : rot 109:sc= 0.086 USER MOD Set 4.1: A 7 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0067) USER MOD Set 4.2: A 10 ASN : amide:sc= -3.56! C(o=-3.6!,f=-4.6!) USER MOD Single : A 3 HIS : no HE2:sc= -6.87! C(o=-6.9!,f=-8.1!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00648 USER MOD Single : A 9 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-9.3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.73! C(o=-2.7!,f=-3.2!) USER MOD Single : A 29 ASN : amide:sc= -4.16! C(o=-4.2!,f=-4.3!) USER MOD Single : A 32 THR OG1 : rot -19:sc= 0.206 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 27:sc= -0.211 USER MOD Single : A 47 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.87) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 176:sc= -0.254 (180deg=-0.283) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0372 USER MOD Single : A 55 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.7) USER MOD Single : A 56 LYS NZ :NH3+ 136:sc= -0.931! (180deg=-4.13!) USER MOD Single : A 57 TYR OH : rot -36:sc= 0.241 USER MOD Single : A 62 SER OG : rot -71:sc= 1.05 USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= 1.29 (180deg=1.15) USER MOD Single : A 70 THR OG1 : rot -81:sc= 0.355 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.83 USER MOD Single : A 78 LYS NZ :NH3+ 169:sc=-0.00856 (180deg=-0.125) USER MOD Single : A 83 HIS : no HE2:sc= -8.24! C(o=-8.2!,f=-13!) USER MOD Single : A 86 ASN : amide:sc= -1.21 K(o=-1.2,f=-4.3!) USER MOD Single : A 88 THR OG1 : rot 88:sc= 0.879 USER MOD Single : A 90 MET CE :methyl -164:sc= -0.97 (180deg=-1.68) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 100 SER OG : rot -140:sc= 0.0655 USER MOD Single : A 104 THR OG1 : rot -13:sc= 0.843 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc=-0.00113 X(o=-0.0011,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -6.133 -10.180 5.233 1.00 0.59 N ATOM 2 CA HIS A 3 -5.200 -9.253 5.846 1.00 0.46 C ATOM 3 C HIS A 3 -5.261 -7.917 5.117 1.00 0.43 C ATOM 4 O HIS A 3 -5.428 -7.877 3.898 1.00 0.47 O ATOM 5 CB HIS A 3 -3.769 -9.809 5.804 1.00 0.45 C ATOM 6 CG HIS A 3 -2.719 -8.766 6.040 1.00 0.42 C ATOM 7 ND1 HIS A 3 -2.599 -8.062 7.221 1.00 0.47 N ATOM 8 CD2 HIS A 3 -1.756 -8.286 5.218 1.00 0.45 C ATOM 9 CE1 HIS A 3 -1.613 -7.194 7.114 1.00 0.52 C ATOM 10 NE2 HIS A 3 -1.085 -7.308 5.910 1.00 0.51 N ATOM 0 HA HIS A 3 -5.480 -9.114 6.890 1.00 0.46 H new ATOM 0 HB2 HIS A 3 -3.669 -10.592 6.556 1.00 0.45 H new ATOM 0 HB3 HIS A 3 -3.596 -10.275 4.834 1.00 0.45 H new ATOM 0 HD1 HIS A 3 -3.182 -8.193 8.047 1.00 0.47 H new ATOM 0 HD2 HIS A 3 -1.554 -8.611 4.208 1.00 0.45 H new ATOM 0 HE1 HIS A 3 -1.292 -6.506 7.882 1.00 0.52 H new ATOM 19 N LYS A 4 -5.113 -6.839 5.862 1.00 0.40 N ATOM 20 CA LYS A 4 -5.099 -5.509 5.283 1.00 0.39 C ATOM 21 C LYS A 4 -4.117 -4.610 6.027 1.00 0.35 C ATOM 22 O LYS A 4 -3.980 -4.707 7.248 1.00 0.43 O ATOM 23 CB LYS A 4 -6.506 -4.903 5.296 1.00 0.54 C ATOM 24 CG LYS A 4 -7.180 -4.873 6.664 1.00 0.90 C ATOM 25 CD LYS A 4 -8.005 -6.131 6.912 1.00 1.13 C ATOM 26 CE LYS A 4 -8.770 -6.058 8.225 1.00 1.92 C ATOM 27 NZ LYS A 4 -7.876 -6.189 9.407 1.00 2.36 N ATOM 0 H LYS A 4 -5.000 -6.858 6.876 1.00 0.40 H new ATOM 0 HA LYS A 4 -4.770 -5.588 4.247 1.00 0.39 H new ATOM 0 HB2 LYS A 4 -6.451 -3.884 4.912 1.00 0.54 H new ATOM 0 HB3 LYS A 4 -7.136 -5.469 4.609 1.00 0.54 H new ATOM 0 HG2 LYS A 4 -6.422 -4.775 7.441 1.00 0.90 H new ATOM 0 HG3 LYS A 4 -7.823 -3.996 6.734 1.00 0.90 H new ATOM 0 HD2 LYS A 4 -8.707 -6.273 6.090 1.00 1.13 H new ATOM 0 HD3 LYS A 4 -7.347 -7.000 6.923 1.00 1.13 H new ATOM 0 HE2 LYS A 4 -9.304 -5.109 8.280 1.00 1.92 H new ATOM 0 HE3 LYS A 4 -9.520 -6.848 8.250 1.00 1.92 H new ATOM 0 HZ1 LYS A 4 -8.442 -6.133 10.278 1.00 2.36 H new ATOM 0 HZ2 LYS A 4 -7.385 -7.105 9.371 1.00 2.36 H new ATOM 0 HZ3 LYS A 4 -7.176 -5.420 9.399 1.00 2.36 H new ATOM 41 N VAL A 5 -3.404 -3.766 5.290 1.00 0.31 N ATOM 42 CA VAL A 5 -2.493 -2.813 5.907 1.00 0.33 C ATOM 43 C VAL A 5 -3.049 -1.398 5.859 1.00 0.27 C ATOM 44 O VAL A 5 -3.579 -0.961 4.849 1.00 0.29 O ATOM 45 CB VAL A 5 -1.070 -2.856 5.281 1.00 0.42 C ATOM 46 CG1 VAL A 5 -0.403 -1.489 5.314 1.00 0.44 C ATOM 47 CG2 VAL A 5 -0.212 -3.858 6.025 1.00 0.49 C ATOM 0 H VAL A 5 -3.439 -3.723 4.272 1.00 0.31 H new ATOM 0 HA VAL A 5 -2.400 -3.114 6.950 1.00 0.33 H new ATOM 0 HB VAL A 5 -1.172 -3.157 4.238 1.00 0.42 H new ATOM 0 HG11 VAL A 5 0.589 -1.558 4.868 1.00 0.44 H new ATOM 0 HG12 VAL A 5 -1.005 -0.777 4.750 1.00 0.44 H new ATOM 0 HG13 VAL A 5 -0.314 -1.152 6.347 1.00 0.44 H new ATOM 0 HG21 VAL A 5 0.784 -3.884 5.582 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -0.136 -3.565 7.072 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -0.665 -4.847 5.957 1.00 0.49 H new ATOM 57 N THR A 6 -2.957 -0.721 6.988 1.00 0.41 N ATOM 58 CA THR A 6 -3.256 0.696 7.084 1.00 0.33 C ATOM 59 C THR A 6 -1.982 1.488 7.413 1.00 0.37 C ATOM 60 O THR A 6 -0.959 0.886 7.743 1.00 0.51 O ATOM 61 CB THR A 6 -4.351 0.943 8.130 1.00 0.36 C ATOM 62 OG1 THR A 6 -4.237 -0.020 9.189 1.00 0.51 O ATOM 63 CG2 THR A 6 -5.728 0.849 7.486 1.00 0.36 C ATOM 0 H THR A 6 -2.670 -1.142 7.872 1.00 0.41 H new ATOM 0 HA THR A 6 -3.630 1.044 6.121 1.00 0.33 H new ATOM 0 HB THR A 6 -4.227 1.945 8.542 1.00 0.36 H new ATOM 0 HG1 THR A 6 -4.937 0.142 9.855 1.00 0.51 H new ATOM 0 HG21 THR A 6 -6.495 1.026 8.240 1.00 0.36 H new ATOM 0 HG22 THR A 6 -5.813 1.598 6.698 1.00 0.36 H new ATOM 0 HG23 THR A 6 -5.863 -0.144 7.058 1.00 0.36 H new ATOM 71 N LYS A 7 -2.059 2.819 7.297 1.00 0.30 N ATOM 72 CA LYS A 7 -0.894 3.727 7.388 1.00 0.28 C ATOM 73 C LYS A 7 0.158 3.344 8.446 1.00 0.27 C ATOM 74 O LYS A 7 1.347 3.399 8.154 1.00 0.32 O ATOM 75 CB LYS A 7 -1.370 5.165 7.639 1.00 0.27 C ATOM 76 CG LYS A 7 -0.257 6.210 7.602 1.00 0.28 C ATOM 77 CD LYS A 7 0.595 6.072 6.349 1.00 0.42 C ATOM 78 CE LYS A 7 1.488 7.288 6.126 1.00 0.35 C ATOM 79 NZ LYS A 7 2.424 7.531 7.256 1.00 0.83 N ATOM 0 H LYS A 7 -2.939 3.308 7.135 1.00 0.30 H new ATOM 0 HA LYS A 7 -0.389 3.636 6.426 1.00 0.28 H new ATOM 0 HB2 LYS A 7 -2.120 5.423 6.891 1.00 0.27 H new ATOM 0 HB3 LYS A 7 -1.861 5.208 8.611 1.00 0.27 H new ATOM 0 HG2 LYS A 7 -0.692 7.209 7.639 1.00 0.28 H new ATOM 0 HG3 LYS A 7 0.373 6.104 8.485 1.00 0.28 H new ATOM 0 HD2 LYS A 7 1.214 5.178 6.428 1.00 0.42 H new ATOM 0 HD3 LYS A 7 -0.053 5.935 5.483 1.00 0.42 H new ATOM 0 HE2 LYS A 7 2.061 7.149 5.209 1.00 0.35 H new ATOM 0 HE3 LYS A 7 0.864 8.170 5.981 1.00 0.35 H new ATOM 0 HZ1 LYS A 7 3.040 8.337 7.029 1.00 0.83 H new ATOM 0 HZ2 LYS A 7 1.881 7.742 8.117 1.00 0.83 H new ATOM 0 HZ3 LYS A 7 3.006 6.684 7.413 1.00 0.83 H new ATOM 93 N ALA A 8 -0.257 2.974 9.661 1.00 0.25 N ATOM 94 CA ALA A 8 0.699 2.660 10.737 1.00 0.26 C ATOM 95 C ALA A 8 1.695 1.579 10.313 1.00 0.23 C ATOM 96 O ALA A 8 2.865 1.573 10.730 1.00 0.24 O ATOM 97 CB ALA A 8 -0.034 2.222 11.993 1.00 0.33 C ATOM 0 H ALA A 8 -1.238 2.884 9.927 1.00 0.25 H new ATOM 0 HA ALA A 8 1.259 3.571 10.947 1.00 0.26 H new ATOM 0 HB1 ALA A 8 0.690 1.995 12.776 1.00 0.33 H new ATOM 0 HB2 ALA A 8 -0.692 3.024 12.329 1.00 0.33 H new ATOM 0 HB3 ALA A 8 -0.626 1.333 11.777 1.00 0.33 H new ATOM 103 N HIS A 9 1.240 0.689 9.447 1.00 0.23 N ATOM 104 CA HIS A 9 2.078 -0.389 8.950 1.00 0.23 C ATOM 105 C HIS A 9 3.224 0.148 8.102 1.00 0.23 C ATOM 106 O HIS A 9 4.048 -0.628 7.621 1.00 0.25 O ATOM 107 CB HIS A 9 1.285 -1.390 8.131 1.00 0.28 C ATOM 108 CG HIS A 9 0.238 -2.148 8.884 1.00 0.89 C ATOM 109 ND1 HIS A 9 -1.075 -1.758 8.904 1.00 0.97 N ATOM 110 CD2 HIS A 9 0.286 -3.337 9.531 1.00 1.63 C ATOM 111 CE1 HIS A 9 -1.799 -2.677 9.514 1.00 1.69 C ATOM 112 NE2 HIS A 9 -0.998 -3.641 9.908 1.00 2.12 N ATOM 0 H HIS A 9 0.291 0.692 9.072 1.00 0.23 H new ATOM 0 HA HIS A 9 2.482 -0.894 9.827 1.00 0.23 H new ATOM 0 HB2 HIS A 9 0.805 -0.861 7.307 1.00 0.28 H new ATOM 0 HB3 HIS A 9 1.980 -2.104 7.689 1.00 0.28 H new ATOM 0 HD2 HIS A 9 1.168 -3.933 9.715 1.00 1.63 H new ATOM 0 HE1 HIS A 9 -2.868 -2.643 9.664 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -1.284 -4.480 10.413 1.00 2.12 H new ATOM 121 N ASN A 10 3.258 1.477 7.909 1.00 0.22 N ATOM 122 CA ASN A 10 4.388 2.163 7.268 1.00 0.24 C ATOM 123 C ASN A 10 5.700 1.702 7.929 1.00 0.24 C ATOM 124 O ASN A 10 6.783 1.844 7.366 1.00 0.26 O ATOM 125 CB ASN A 10 4.204 3.704 7.382 1.00 0.31 C ATOM 126 CG ASN A 10 5.104 4.547 6.483 1.00 0.56 C ATOM 127 OD1 ASN A 10 4.707 5.633 6.060 1.00 1.41 O ATOM 128 ND2 ASN A 10 6.305 4.091 6.201 1.00 0.96 N ATOM 0 H ASN A 10 2.504 2.103 8.193 1.00 0.22 H new ATOM 0 HA ASN A 10 4.428 1.910 6.208 1.00 0.24 H new ATOM 0 HB2 ASN A 10 3.166 3.945 7.154 1.00 0.31 H new ATOM 0 HB3 ASN A 10 4.379 3.997 8.417 1.00 0.31 H new ATOM 0 HD21 ASN A 10 6.935 4.641 5.617 1.00 0.96 H new ATOM 0 HD22 ASN A 10 6.606 3.187 6.566 1.00 0.96 H new ATOM 135 N GLY A 11 5.578 1.107 9.114 1.00 0.25 N ATOM 136 CA GLY A 11 6.731 0.553 9.797 1.00 0.26 C ATOM 137 C GLY A 11 6.384 -0.723 10.545 1.00 0.25 C ATOM 138 O GLY A 11 6.695 -0.860 11.728 1.00 0.30 O ATOM 0 H GLY A 11 4.695 1.000 9.614 1.00 0.25 H new ATOM 0 HA2 GLY A 11 7.518 0.347 9.072 1.00 0.26 H new ATOM 0 HA3 GLY A 11 7.127 1.289 10.497 1.00 0.26 H new ATOM 142 N ALA A 12 5.729 -1.656 9.861 1.00 0.24 N ATOM 143 CA ALA A 12 5.216 -2.861 10.511 1.00 0.27 C ATOM 144 C ALA A 12 5.967 -4.129 10.107 1.00 0.28 C ATOM 145 O ALA A 12 6.610 -4.188 9.059 1.00 0.31 O ATOM 146 CB ALA A 12 3.747 -3.028 10.183 1.00 0.32 C ATOM 0 H ALA A 12 5.540 -1.603 8.860 1.00 0.24 H new ATOM 0 HA ALA A 12 5.364 -2.727 11.583 1.00 0.27 H new ATOM 0 HB1 ALA A 12 3.366 -3.927 10.668 1.00 0.32 H new ATOM 0 HB2 ALA A 12 3.193 -2.160 10.541 1.00 0.32 H new ATOM 0 HB3 ALA A 12 3.623 -3.118 9.104 1.00 0.32 H new ATOM 152 N THR A 13 5.870 -5.141 10.965 1.00 0.39 N ATOM 153 CA THR A 13 6.378 -6.482 10.682 1.00 0.44 C ATOM 154 C THR A 13 5.509 -7.526 11.394 1.00 0.56 C ATOM 155 O THR A 13 5.556 -7.657 12.619 1.00 0.95 O ATOM 156 CB THR A 13 7.846 -6.648 11.125 1.00 0.71 C ATOM 157 OG1 THR A 13 8.666 -5.666 10.474 1.00 0.89 O ATOM 158 CG2 THR A 13 8.360 -8.040 10.789 1.00 0.74 C ATOM 0 H THR A 13 5.434 -5.054 11.883 1.00 0.39 H new ATOM 0 HA THR A 13 6.335 -6.629 9.603 1.00 0.44 H new ATOM 0 HB THR A 13 7.894 -6.510 12.205 1.00 0.71 H new ATOM 0 HG1 THR A 13 9.597 -5.775 10.760 1.00 0.89 H new ATOM 0 HG21 THR A 13 9.397 -8.132 11.111 1.00 0.74 H new ATOM 0 HG22 THR A 13 7.753 -8.786 11.302 1.00 0.74 H new ATOM 0 HG23 THR A 13 8.299 -8.200 9.713 1.00 0.74 H new ATOM 166 N LEU A 14 4.711 -8.254 10.619 1.00 0.39 N ATOM 167 CA LEU A 14 3.729 -9.182 11.168 1.00 0.70 C ATOM 168 C LEU A 14 3.413 -10.318 10.187 1.00 0.35 C ATOM 169 O LEU A 14 3.797 -10.265 9.019 1.00 0.88 O ATOM 170 CB LEU A 14 2.463 -8.407 11.557 1.00 1.51 C ATOM 171 CG LEU A 14 1.924 -7.429 10.504 1.00 2.04 C ATOM 172 CD1 LEU A 14 1.307 -8.172 9.338 1.00 2.43 C ATOM 173 CD2 LEU A 14 0.914 -6.484 11.132 1.00 3.00 C ATOM 0 H LEU A 14 4.726 -8.218 9.600 1.00 0.39 H new ATOM 0 HA LEU A 14 4.147 -9.650 12.059 1.00 0.70 H new ATOM 0 HB2 LEU A 14 1.678 -9.126 11.792 1.00 1.51 H new ATOM 0 HB3 LEU A 14 2.668 -7.849 12.471 1.00 1.51 H new ATOM 0 HG LEU A 14 2.760 -6.843 10.122 1.00 2.04 H new ATOM 0 HD11 LEU A 14 0.933 -7.455 8.607 1.00 2.43 H new ATOM 0 HD12 LEU A 14 2.060 -8.807 8.872 1.00 2.43 H new ATOM 0 HD13 LEU A 14 0.483 -8.789 9.695 1.00 2.43 H new ATOM 0 HD21 LEU A 14 0.540 -5.796 10.374 1.00 3.00 H new ATOM 0 HD22 LEU A 14 0.084 -7.059 11.542 1.00 3.00 H new ATOM 0 HD23 LEU A 14 1.393 -5.918 11.931 1.00 3.00 H new ATOM 185 N THR A 15 2.722 -11.342 10.672 1.00 0.70 N ATOM 186 CA THR A 15 2.370 -12.494 9.849 1.00 0.74 C ATOM 187 C THR A 15 0.918 -12.403 9.391 1.00 0.82 C ATOM 188 O THR A 15 0.065 -11.881 10.109 1.00 1.21 O ATOM 189 CB THR A 15 2.548 -13.815 10.626 1.00 1.40 C ATOM 190 OG1 THR A 15 3.932 -14.032 10.938 1.00 1.55 O ATOM 191 CG2 THR A 15 2.001 -14.987 9.820 1.00 1.73 C ATOM 0 H THR A 15 2.393 -11.399 11.636 1.00 0.70 H new ATOM 0 HA THR A 15 3.038 -12.486 8.988 1.00 0.74 H new ATOM 0 HB THR A 15 1.988 -13.742 11.558 1.00 1.40 H new ATOM 0 HG1 THR A 15 4.028 -14.873 11.432 1.00 1.55 H new ATOM 0 HG21 THR A 15 2.135 -15.910 10.384 1.00 1.73 H new ATOM 0 HG22 THR A 15 0.940 -14.831 9.626 1.00 1.73 H new ATOM 0 HG23 THR A 15 2.536 -15.059 8.873 1.00 1.73 H new ATOM 199 N VAL A 16 0.640 -12.903 8.190 1.00 0.57 N ATOM 200 CA VAL A 16 -0.697 -12.841 7.634 1.00 0.64 C ATOM 201 C VAL A 16 -1.157 -14.204 7.135 1.00 0.59 C ATOM 202 O VAL A 16 -0.350 -15.112 6.929 1.00 0.59 O ATOM 203 CB VAL A 16 -0.763 -11.828 6.475 1.00 0.64 C ATOM 204 CG1 VAL A 16 -0.154 -10.512 6.915 1.00 0.78 C ATOM 205 CG2 VAL A 16 -0.061 -12.352 5.236 1.00 0.63 C ATOM 0 H VAL A 16 1.328 -13.355 7.587 1.00 0.57 H new ATOM 0 HA VAL A 16 -1.362 -12.518 8.435 1.00 0.64 H new ATOM 0 HB VAL A 16 -1.810 -11.673 6.214 1.00 0.64 H new ATOM 0 HG11 VAL A 16 -0.201 -9.797 6.094 1.00 0.78 H new ATOM 0 HG12 VAL A 16 -0.708 -10.122 7.769 1.00 0.78 H new ATOM 0 HG13 VAL A 16 0.886 -10.670 7.199 1.00 0.78 H new ATOM 0 HG21 VAL A 16 -0.128 -11.611 4.439 1.00 0.63 H new ATOM 0 HG22 VAL A 16 0.987 -12.545 5.466 1.00 0.63 H new ATOM 0 HG23 VAL A 16 -0.537 -13.277 4.912 1.00 0.63 H new ATOM 215 N ALA A 17 -2.460 -14.345 6.983 1.00 0.63 N ATOM 216 CA ALA A 17 -3.041 -15.505 6.344 1.00 0.60 C ATOM 217 C ALA A 17 -3.694 -15.064 5.042 1.00 0.55 C ATOM 218 O ALA A 17 -4.523 -14.156 5.044 1.00 0.76 O ATOM 219 CB ALA A 17 -4.064 -16.138 7.267 1.00 0.75 C ATOM 0 H ALA A 17 -3.144 -13.657 7.300 1.00 0.63 H new ATOM 0 HA ALA A 17 -2.270 -16.245 6.130 1.00 0.60 H new ATOM 0 HB1 ALA A 17 -4.500 -17.012 6.782 1.00 0.75 H new ATOM 0 HB2 ALA A 17 -3.579 -16.442 8.194 1.00 0.75 H new ATOM 0 HB3 ALA A 17 -4.850 -15.416 7.489 1.00 0.75 H new ATOM 225 N VAL A 18 -3.306 -15.665 3.933 1.00 0.54 N ATOM 226 CA VAL A 18 -3.845 -15.257 2.644 1.00 0.50 C ATOM 227 C VAL A 18 -4.905 -16.232 2.152 1.00 0.49 C ATOM 228 O VAL A 18 -5.419 -17.048 2.916 1.00 0.59 O ATOM 229 CB VAL A 18 -2.742 -15.113 1.578 1.00 0.58 C ATOM 230 CG1 VAL A 18 -1.690 -14.122 2.030 1.00 1.23 C ATOM 231 CG2 VAL A 18 -2.113 -16.456 1.250 1.00 1.12 C ATOM 0 H VAL A 18 -2.629 -16.427 3.895 1.00 0.54 H new ATOM 0 HA VAL A 18 -4.305 -14.281 2.797 1.00 0.50 H new ATOM 0 HB VAL A 18 -3.204 -14.733 0.667 1.00 0.58 H new ATOM 0 HG11 VAL A 18 -0.920 -14.034 1.264 1.00 1.23 H new ATOM 0 HG12 VAL A 18 -2.153 -13.149 2.192 1.00 1.23 H new ATOM 0 HG13 VAL A 18 -1.239 -14.469 2.960 1.00 1.23 H new ATOM 0 HG21 VAL A 18 -1.339 -16.320 0.495 1.00 1.12 H new ATOM 0 HG22 VAL A 18 -1.671 -16.880 2.151 1.00 1.12 H new ATOM 0 HG23 VAL A 18 -2.878 -17.132 0.868 1.00 1.12 H new ATOM 241 N GLY A 19 -5.242 -16.122 0.877 1.00 0.52 N ATOM 242 CA GLY A 19 -6.263 -16.971 0.301 1.00 0.55 C ATOM 243 C GLY A 19 -7.484 -16.174 -0.066 1.00 0.59 C ATOM 244 O GLY A 19 -7.980 -16.264 -1.185 1.00 0.71 O ATOM 0 H GLY A 19 -4.824 -15.456 0.227 1.00 0.52 H new ATOM 0 HA2 GLY A 19 -5.869 -17.469 -0.585 1.00 0.55 H new ATOM 0 HA3 GLY A 19 -6.534 -17.752 1.011 1.00 0.55 H new ATOM 248 N GLU A 20 -7.959 -15.388 0.882 1.00 0.57 N ATOM 249 CA GLU A 20 -9.037 -14.447 0.622 1.00 0.64 C ATOM 250 C GLU A 20 -8.486 -13.259 -0.147 1.00 0.50 C ATOM 251 O GLU A 20 -8.673 -13.126 -1.358 1.00 0.50 O ATOM 252 CB GLU A 20 -9.648 -13.952 1.936 1.00 0.76 C ATOM 253 CG GLU A 20 -10.074 -15.055 2.881 1.00 0.96 C ATOM 254 CD GLU A 20 -11.212 -15.877 2.337 1.00 1.55 C ATOM 255 OE1 GLU A 20 -12.369 -15.421 2.409 1.00 1.75 O ATOM 256 OE2 GLU A 20 -10.951 -16.981 1.818 1.00 2.35 O ATOM 0 H GLU A 20 -7.615 -15.381 1.842 1.00 0.57 H new ATOM 0 HA GLU A 20 -9.810 -14.950 0.040 1.00 0.64 H new ATOM 0 HB2 GLU A 20 -8.923 -13.316 2.443 1.00 0.76 H new ATOM 0 HB3 GLU A 20 -10.514 -13.330 1.709 1.00 0.76 H new ATOM 0 HG2 GLU A 20 -9.223 -15.706 3.080 1.00 0.96 H new ATOM 0 HG3 GLU A 20 -10.370 -14.617 3.834 1.00 0.96 H new ATOM 263 N LEU A 21 -7.786 -12.408 0.585 1.00 0.45 N ATOM 264 CA LEU A 21 -7.211 -11.195 0.043 1.00 0.32 C ATOM 265 C LEU A 21 -6.214 -10.625 1.034 1.00 0.38 C ATOM 266 O LEU A 21 -6.447 -10.669 2.245 1.00 0.64 O ATOM 267 CB LEU A 21 -8.315 -10.172 -0.238 1.00 0.39 C ATOM 268 CG LEU A 21 -7.842 -8.759 -0.595 1.00 0.44 C ATOM 269 CD1 LEU A 21 -7.045 -8.769 -1.888 1.00 0.56 C ATOM 270 CD2 LEU A 21 -9.030 -7.815 -0.708 1.00 0.71 C ATOM 0 H LEU A 21 -7.601 -12.544 1.579 1.00 0.45 H new ATOM 0 HA LEU A 21 -6.700 -11.423 -0.892 1.00 0.32 H new ATOM 0 HB2 LEU A 21 -8.931 -10.546 -1.056 1.00 0.39 H new ATOM 0 HB3 LEU A 21 -8.957 -10.108 0.641 1.00 0.39 H new ATOM 0 HG LEU A 21 -7.191 -8.403 0.204 1.00 0.44 H new ATOM 0 HD11 LEU A 21 -6.719 -7.756 -2.122 1.00 0.56 H new ATOM 0 HD12 LEU A 21 -6.173 -9.413 -1.773 1.00 0.56 H new ATOM 0 HD13 LEU A 21 -7.670 -9.146 -2.698 1.00 0.56 H new ATOM 0 HD21 LEU A 21 -8.678 -6.815 -0.962 1.00 0.71 H new ATOM 0 HD22 LEU A 21 -9.705 -8.171 -1.487 1.00 0.71 H new ATOM 0 HD23 LEU A 21 -9.560 -7.782 0.244 1.00 0.71 H new ATOM 282 N VAL A 22 -5.105 -10.117 0.532 1.00 0.27 N ATOM 283 CA VAL A 22 -4.157 -9.402 1.360 1.00 0.28 C ATOM 284 C VAL A 22 -3.939 -8.010 0.782 1.00 0.30 C ATOM 285 O VAL A 22 -3.284 -7.834 -0.241 1.00 0.37 O ATOM 286 CB VAL A 22 -2.826 -10.196 1.526 1.00 0.28 C ATOM 287 CG1 VAL A 22 -1.607 -9.279 1.621 1.00 0.40 C ATOM 288 CG2 VAL A 22 -2.921 -11.051 2.771 1.00 0.38 C ATOM 0 H VAL A 22 -4.839 -10.188 -0.450 1.00 0.27 H new ATOM 0 HA VAL A 22 -4.564 -9.296 2.366 1.00 0.28 H new ATOM 0 HB VAL A 22 -2.690 -10.816 0.640 1.00 0.28 H new ATOM 0 HG11 VAL A 22 -0.706 -9.882 1.736 1.00 0.40 H new ATOM 0 HG12 VAL A 22 -1.530 -8.681 0.713 1.00 0.40 H new ATOM 0 HG13 VAL A 22 -1.714 -8.619 2.482 1.00 0.40 H new ATOM 0 HG21 VAL A 22 -1.995 -11.612 2.899 1.00 0.38 H new ATOM 0 HG22 VAL A 22 -3.081 -10.412 3.640 1.00 0.38 H new ATOM 0 HG23 VAL A 22 -3.755 -11.745 2.673 1.00 0.38 H new ATOM 298 N GLU A 23 -4.527 -7.012 1.419 1.00 0.29 N ATOM 299 CA GLU A 23 -4.481 -5.673 0.864 1.00 0.36 C ATOM 300 C GLU A 23 -3.589 -4.763 1.680 1.00 0.27 C ATOM 301 O GLU A 23 -3.275 -5.032 2.839 1.00 0.37 O ATOM 302 CB GLU A 23 -5.878 -5.055 0.711 1.00 0.58 C ATOM 303 CG GLU A 23 -6.482 -4.481 1.984 1.00 0.96 C ATOM 304 CD GLU A 23 -7.618 -3.512 1.699 1.00 0.99 C ATOM 305 OE1 GLU A 23 -7.347 -2.390 1.201 1.00 1.06 O ATOM 306 OE2 GLU A 23 -8.788 -3.868 1.937 1.00 1.09 O ATOM 0 H GLU A 23 -5.031 -7.100 2.301 1.00 0.29 H new ATOM 0 HA GLU A 23 -4.054 -5.771 -0.134 1.00 0.36 H new ATOM 0 HB2 GLU A 23 -5.826 -4.262 -0.035 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -6.553 -5.817 0.321 1.00 0.58 H new ATOM 0 HG2 GLU A 23 -6.850 -5.295 2.608 1.00 0.96 H new ATOM 0 HG3 GLU A 23 -5.706 -3.970 2.553 1.00 0.96 H new ATOM 313 N ILE A 24 -3.179 -3.694 1.034 1.00 0.25 N ATOM 314 CA ILE A 24 -2.287 -2.713 1.602 1.00 0.24 C ATOM 315 C ILE A 24 -2.827 -1.327 1.289 1.00 0.29 C ATOM 316 O ILE A 24 -2.725 -0.863 0.161 1.00 0.54 O ATOM 317 CB ILE A 24 -0.880 -2.855 0.982 1.00 0.27 C ATOM 318 CG1 ILE A 24 -0.347 -4.284 1.150 1.00 0.26 C ATOM 319 CG2 ILE A 24 0.075 -1.846 1.589 1.00 0.32 C ATOM 320 CD1 ILE A 24 0.010 -4.634 2.579 1.00 0.27 C ATOM 0 H ILE A 24 -3.464 -3.480 0.078 1.00 0.25 H new ATOM 0 HA ILE A 24 -2.220 -2.863 2.679 1.00 0.24 H new ATOM 0 HB ILE A 24 -0.957 -2.651 -0.086 1.00 0.27 H new ATOM 0 HG12 ILE A 24 -1.097 -4.987 0.789 1.00 0.26 H new ATOM 0 HG13 ILE A 24 0.535 -4.410 0.523 1.00 0.26 H new ATOM 0 HG21 ILE A 24 1.061 -1.962 1.139 1.00 0.32 H new ATOM 0 HG22 ILE A 24 -0.293 -0.838 1.401 1.00 0.32 H new ATOM 0 HG23 ILE A 24 0.145 -2.012 2.664 1.00 0.32 H new ATOM 0 HD11 ILE A 24 0.379 -5.659 2.621 1.00 0.27 H new ATOM 0 HD12 ILE A 24 0.783 -3.954 2.938 1.00 0.27 H new ATOM 0 HD13 ILE A 24 -0.875 -4.541 3.208 1.00 0.27 H new ATOM 332 N GLN A 25 -3.418 -0.668 2.260 1.00 0.21 N ATOM 333 CA GLN A 25 -4.048 0.606 1.997 1.00 0.22 C ATOM 334 C GLN A 25 -3.290 1.750 2.627 1.00 0.20 C ATOM 335 O GLN A 25 -2.825 1.666 3.767 1.00 0.23 O ATOM 336 CB GLN A 25 -5.498 0.600 2.482 1.00 0.27 C ATOM 337 CG GLN A 25 -6.190 1.949 2.355 1.00 0.29 C ATOM 338 CD GLN A 25 -6.346 2.713 3.665 1.00 0.36 C ATOM 339 OE1 GLN A 25 -7.324 3.433 3.848 1.00 0.64 O ATOM 340 NE2 GLN A 25 -5.380 2.608 4.567 1.00 0.30 N ATOM 0 H GLN A 25 -3.476 -0.988 3.227 1.00 0.21 H new ATOM 0 HA GLN A 25 -4.036 0.756 0.918 1.00 0.22 H new ATOM 0 HB2 GLN A 25 -6.059 -0.141 1.913 1.00 0.27 H new ATOM 0 HB3 GLN A 25 -5.522 0.286 3.526 1.00 0.27 H new ATOM 0 HG2 GLN A 25 -5.626 2.566 1.656 1.00 0.29 H new ATOM 0 HG3 GLN A 25 -7.178 1.795 1.920 1.00 0.29 H new ATOM 0 HE21 GLN A 25 -4.579 2.002 4.388 1.00 0.30 H new ATOM 0 HE22 GLN A 25 -5.438 3.133 5.440 1.00 0.30 H new ATOM 349 N LEU A 26 -3.194 2.827 1.884 1.00 0.19 N ATOM 350 CA LEU A 26 -2.659 4.058 2.395 1.00 0.18 C ATOM 351 C LEU A 26 -3.741 5.116 2.361 1.00 0.22 C ATOM 352 O LEU A 26 -4.519 5.182 1.422 1.00 0.31 O ATOM 353 CB LEU A 26 -1.443 4.521 1.591 1.00 0.22 C ATOM 354 CG LEU A 26 -0.103 3.927 2.024 1.00 0.28 C ATOM 355 CD1 LEU A 26 0.141 4.171 3.501 1.00 0.77 C ATOM 356 CD2 LEU A 26 -0.035 2.445 1.711 1.00 0.85 C ATOM 0 H LEU A 26 -3.486 2.870 0.908 1.00 0.19 H new ATOM 0 HA LEU A 26 -2.327 3.894 3.420 1.00 0.18 H new ATOM 0 HB2 LEU A 26 -1.608 4.275 0.542 1.00 0.22 H new ATOM 0 HB3 LEU A 26 -1.378 5.607 1.657 1.00 0.22 H new ATOM 0 HG LEU A 26 0.682 4.428 1.458 1.00 0.28 H new ATOM 0 HD11 LEU A 26 1.100 3.740 3.787 1.00 0.77 H new ATOM 0 HD12 LEU A 26 0.153 5.243 3.696 1.00 0.77 H new ATOM 0 HD13 LEU A 26 -0.654 3.705 4.083 1.00 0.77 H new ATOM 0 HD21 LEU A 26 0.929 2.050 2.030 1.00 0.85 H new ATOM 0 HD22 LEU A 26 -0.833 1.924 2.240 1.00 0.85 H new ATOM 0 HD23 LEU A 26 -0.152 2.294 0.638 1.00 0.85 H new ATOM 368 N PRO A 27 -3.816 5.945 3.389 1.00 0.21 N ATOM 369 CA PRO A 27 -4.815 7.012 3.477 1.00 0.25 C ATOM 370 C PRO A 27 -4.431 8.217 2.639 1.00 0.26 C ATOM 371 O PRO A 27 -5.066 9.267 2.729 1.00 0.35 O ATOM 372 CB PRO A 27 -4.779 7.381 4.948 1.00 0.27 C ATOM 373 CG PRO A 27 -3.368 7.123 5.338 1.00 0.25 C ATOM 374 CD PRO A 27 -2.935 5.917 4.565 1.00 0.22 C ATOM 0 HA PRO A 27 -5.793 6.697 3.113 1.00 0.25 H new ATOM 0 HB2 PRO A 27 -5.055 8.424 5.107 1.00 0.27 H new ATOM 0 HB3 PRO A 27 -5.473 6.775 5.531 1.00 0.27 H new ATOM 0 HG2 PRO A 27 -2.737 7.981 5.106 1.00 0.25 H new ATOM 0 HG3 PRO A 27 -3.286 6.948 6.411 1.00 0.25 H new ATOM 0 HD2 PRO A 27 -1.884 5.974 4.283 1.00 0.22 H new ATOM 0 HD3 PRO A 27 -3.061 5.001 5.142 1.00 0.22 H new ATOM 382 N SER A 28 -3.383 8.048 1.840 1.00 0.22 N ATOM 383 CA SER A 28 -2.782 9.126 1.070 1.00 0.25 C ATOM 384 C SER A 28 -2.150 10.148 1.999 1.00 0.25 C ATOM 385 O SER A 28 -0.930 10.285 2.036 1.00 0.31 O ATOM 386 CB SER A 28 -3.804 9.798 0.145 1.00 0.35 C ATOM 387 OG SER A 28 -3.152 10.584 -0.836 1.00 0.91 O ATOM 0 H SER A 28 -2.923 7.147 1.709 1.00 0.22 H new ATOM 0 HA SER A 28 -2.005 8.693 0.440 1.00 0.25 H new ATOM 0 HB2 SER A 28 -4.418 9.039 -0.340 1.00 0.35 H new ATOM 0 HB3 SER A 28 -4.476 10.424 0.732 1.00 0.35 H new ATOM 0 HG SER A 28 -2.492 10.035 -1.309 1.00 0.91 H new ATOM 393 N ASN A 29 -2.985 10.788 2.796 1.00 0.29 N ATOM 394 CA ASN A 29 -2.588 11.916 3.633 1.00 0.36 C ATOM 395 C ASN A 29 -2.085 13.025 2.722 1.00 0.42 C ATOM 396 O ASN A 29 -0.905 13.386 2.758 1.00 0.48 O ATOM 397 CB ASN A 29 -1.477 11.553 4.631 1.00 0.42 C ATOM 398 CG ASN A 29 -1.584 10.160 5.219 1.00 0.60 C ATOM 399 OD1 ASN A 29 -2.370 9.912 6.134 1.00 1.39 O ATOM 400 ND2 ASN A 29 -0.746 9.253 4.726 1.00 0.39 N ATOM 0 H ASN A 29 -3.970 10.540 2.885 1.00 0.29 H new ATOM 0 HA ASN A 29 -3.456 12.227 4.214 1.00 0.36 H new ATOM 0 HB2 ASN A 29 -0.513 11.649 4.131 1.00 0.42 H new ATOM 0 HB3 ASN A 29 -1.487 12.278 5.445 1.00 0.42 H new ATOM 0 HD21 ASN A 29 -0.737 8.307 5.107 1.00 0.39 H new ATOM 0 HD22 ASN A 29 -0.112 9.504 3.967 1.00 0.39 H new ATOM 407 N PRO A 30 -2.991 13.578 1.899 1.00 0.55 N ATOM 408 CA PRO A 30 -2.644 14.422 0.748 1.00 0.66 C ATOM 409 C PRO A 30 -1.646 15.516 1.077 1.00 0.72 C ATOM 410 O PRO A 30 -1.934 16.450 1.827 1.00 0.82 O ATOM 411 CB PRO A 30 -3.988 14.998 0.332 1.00 0.83 C ATOM 412 CG PRO A 30 -4.936 13.925 0.710 1.00 0.82 C ATOM 413 CD PRO A 30 -4.452 13.445 2.039 1.00 0.75 C ATOM 0 HA PRO A 30 -2.145 13.854 -0.037 1.00 0.66 H new ATOM 0 HB2 PRO A 30 -4.206 15.932 0.851 1.00 0.83 H new ATOM 0 HB3 PRO A 30 -4.023 15.211 -0.736 1.00 0.83 H new ATOM 0 HG2 PRO A 30 -5.957 14.302 0.772 1.00 0.82 H new ATOM 0 HG3 PRO A 30 -4.938 13.120 -0.025 1.00 0.82 H new ATOM 0 HD2 PRO A 30 -4.840 14.051 2.858 1.00 0.75 H new ATOM 0 HD3 PRO A 30 -4.751 12.415 2.235 1.00 0.75 H new ATOM 421 N THR A 31 -0.472 15.366 0.500 1.00 0.73 N ATOM 422 CA THR A 31 0.651 16.236 0.769 1.00 0.84 C ATOM 423 C THR A 31 0.568 17.543 -0.015 1.00 1.10 C ATOM 424 O THR A 31 0.268 18.600 0.539 1.00 1.83 O ATOM 425 CB THR A 31 1.955 15.508 0.402 1.00 0.96 C ATOM 426 OG1 THR A 31 1.866 15.025 -0.952 1.00 1.60 O ATOM 427 CG2 THR A 31 2.194 14.330 1.325 1.00 0.81 C ATOM 0 H THR A 31 -0.270 14.629 -0.175 1.00 0.73 H new ATOM 0 HA THR A 31 0.632 16.484 1.830 1.00 0.84 H new ATOM 0 HB THR A 31 2.782 16.211 0.504 1.00 0.96 H new ATOM 0 HG1 THR A 31 1.403 14.161 -0.961 1.00 1.60 H new ATOM 0 HG21 THR A 31 3.122 13.831 1.046 1.00 0.81 H new ATOM 0 HG22 THR A 31 2.267 14.683 2.354 1.00 0.81 H new ATOM 0 HG23 THR A 31 1.365 13.628 1.241 1.00 0.81 H new ATOM 435 N THR A 32 0.834 17.449 -1.308 1.00 1.19 N ATOM 436 CA THR A 32 0.913 18.610 -2.179 1.00 1.43 C ATOM 437 C THR A 32 1.016 18.173 -3.639 1.00 1.47 C ATOM 438 O THR A 32 0.868 18.983 -4.554 1.00 2.05 O ATOM 439 CB THR A 32 2.133 19.492 -1.818 1.00 1.62 C ATOM 440 OG1 THR A 32 2.230 20.604 -2.719 1.00 2.36 O ATOM 441 CG2 THR A 32 3.425 18.680 -1.853 1.00 1.32 C ATOM 0 H THR A 32 1.002 16.563 -1.784 1.00 1.19 H new ATOM 0 HA THR A 32 0.004 19.195 -2.039 1.00 1.43 H new ATOM 0 HB THR A 32 1.989 19.866 -0.805 1.00 1.62 H new ATOM 0 HG1 THR A 32 1.713 20.415 -3.529 1.00 2.36 H new ATOM 0 HG21 THR A 32 4.266 19.324 -1.596 1.00 1.32 H new ATOM 0 HG22 THR A 32 3.361 17.862 -1.135 1.00 1.32 H new ATOM 0 HG23 THR A 32 3.572 18.273 -2.854 1.00 1.32 H new ATOM 449 N GLY A 33 1.278 16.888 -3.846 1.00 1.30 N ATOM 450 CA GLY A 33 1.413 16.358 -5.187 1.00 1.26 C ATOM 451 C GLY A 33 1.794 14.899 -5.166 1.00 1.01 C ATOM 452 O GLY A 33 1.420 14.140 -6.055 1.00 1.27 O ATOM 0 H GLY A 33 1.400 16.200 -3.102 1.00 1.30 H new ATOM 0 HA2 GLY A 33 0.473 16.483 -5.725 1.00 1.26 H new ATOM 0 HA3 GLY A 33 2.169 16.925 -5.730 1.00 1.26 H new ATOM 456 N PHE A 34 2.586 14.527 -4.164 1.00 0.86 N ATOM 457 CA PHE A 34 2.917 13.131 -3.913 1.00 0.88 C ATOM 458 C PHE A 34 1.658 12.271 -3.818 1.00 0.79 C ATOM 459 O PHE A 34 0.653 12.691 -3.242 1.00 1.11 O ATOM 460 CB PHE A 34 3.709 12.999 -2.609 1.00 1.25 C ATOM 461 CG PHE A 34 4.889 13.921 -2.510 1.00 1.50 C ATOM 462 CD1 PHE A 34 6.013 13.707 -3.289 1.00 1.69 C ATOM 463 CD2 PHE A 34 4.874 15.004 -1.651 1.00 1.95 C ATOM 464 CE1 PHE A 34 7.098 14.550 -3.210 1.00 1.94 C ATOM 465 CE2 PHE A 34 5.958 15.853 -1.566 1.00 2.22 C ATOM 466 CZ PHE A 34 7.067 15.626 -2.312 1.00 2.08 C ATOM 0 H PHE A 34 3.013 15.181 -3.508 1.00 0.86 H new ATOM 0 HA PHE A 34 3.521 12.782 -4.751 1.00 0.88 H new ATOM 0 HB2 PHE A 34 3.040 13.191 -1.770 1.00 1.25 H new ATOM 0 HB3 PHE A 34 4.056 11.971 -2.511 1.00 1.25 H new ATOM 0 HD1 PHE A 34 6.039 12.867 -3.968 1.00 1.69 H new ATOM 0 HD2 PHE A 34 4.003 15.188 -1.039 1.00 1.95 H new ATOM 0 HE1 PHE A 34 7.964 14.384 -3.833 1.00 1.94 H new ATOM 0 HE2 PHE A 34 5.923 16.703 -0.901 1.00 2.22 H new ATOM 0 HZ PHE A 34 7.926 16.274 -2.215 1.00 2.08 H new ATOM 476 N ALA A 35 1.733 11.082 -4.397 1.00 0.44 N ATOM 477 CA ALA A 35 0.699 10.068 -4.261 1.00 0.37 C ATOM 478 C ALA A 35 1.369 8.712 -4.052 1.00 0.30 C ATOM 479 O ALA A 35 2.507 8.511 -4.497 1.00 0.30 O ATOM 480 CB ALA A 35 -0.190 10.044 -5.497 1.00 0.44 C ATOM 0 H ALA A 35 2.519 10.792 -4.979 1.00 0.44 H new ATOM 0 HA ALA A 35 0.067 10.299 -3.403 1.00 0.37 H new ATOM 0 HB1 ALA A 35 -0.958 9.280 -5.378 1.00 0.44 H new ATOM 0 HB2 ALA A 35 -0.664 11.018 -5.624 1.00 0.44 H new ATOM 0 HB3 ALA A 35 0.414 9.818 -6.375 1.00 0.44 H new ATOM 486 N TRP A 36 0.699 7.797 -3.355 1.00 0.26 N ATOM 487 CA TRP A 36 1.322 6.523 -3.004 1.00 0.21 C ATOM 488 C TRP A 36 1.295 5.547 -4.178 1.00 0.27 C ATOM 489 O TRP A 36 0.241 5.045 -4.569 1.00 0.43 O ATOM 490 CB TRP A 36 0.655 5.846 -1.800 1.00 0.20 C ATOM 491 CG TRP A 36 0.744 6.573 -0.488 1.00 0.18 C ATOM 492 CD1 TRP A 36 -0.186 7.408 0.062 1.00 0.22 C ATOM 493 CD2 TRP A 36 1.803 6.472 0.470 1.00 0.15 C ATOM 494 NE1 TRP A 36 0.228 7.823 1.302 1.00 0.21 N ATOM 495 CE2 TRP A 36 1.445 7.268 1.574 1.00 0.17 C ATOM 496 CE3 TRP A 36 3.021 5.791 0.500 1.00 0.13 C ATOM 497 CZ2 TRP A 36 2.249 7.389 2.697 1.00 0.16 C ATOM 498 CZ3 TRP A 36 3.825 5.917 1.614 1.00 0.13 C ATOM 499 CH2 TRP A 36 3.437 6.711 2.704 1.00 0.14 C ATOM 0 H TRP A 36 -0.260 7.910 -3.026 1.00 0.26 H new ATOM 0 HA TRP A 36 2.351 6.767 -2.741 1.00 0.21 H new ATOM 0 HB2 TRP A 36 -0.398 5.693 -2.035 1.00 0.20 H new ATOM 0 HB3 TRP A 36 1.100 4.859 -1.674 1.00 0.20 H new ATOM 0 HD1 TRP A 36 -1.112 7.699 -0.411 1.00 0.22 H new ATOM 0 HE1 TRP A 36 -0.290 8.446 1.921 1.00 0.21 H new ATOM 0 HE3 TRP A 36 3.328 5.177 -0.333 1.00 0.13 H new ATOM 0 HZ2 TRP A 36 1.948 7.997 3.537 1.00 0.16 H new ATOM 0 HZ3 TRP A 36 4.770 5.395 1.648 1.00 0.13 H new ATOM 0 HH2 TRP A 36 4.087 6.788 3.563 1.00 0.14 H new ATOM 510 N TYR A 37 2.462 5.292 -4.741 1.00 0.27 N ATOM 511 CA TYR A 37 2.639 4.217 -5.709 1.00 0.34 C ATOM 512 C TYR A 37 3.568 3.177 -5.106 1.00 0.39 C ATOM 513 O TYR A 37 4.025 3.361 -3.995 1.00 0.78 O ATOM 514 CB TYR A 37 3.236 4.750 -7.012 1.00 0.53 C ATOM 515 CG TYR A 37 2.250 5.472 -7.904 1.00 0.61 C ATOM 516 CD1 TYR A 37 1.372 4.778 -8.735 1.00 1.42 C ATOM 517 CD2 TYR A 37 2.184 6.857 -7.892 1.00 0.90 C ATOM 518 CE1 TYR A 37 0.464 5.455 -9.530 1.00 2.10 C ATOM 519 CE2 TYR A 37 1.277 7.537 -8.676 1.00 1.47 C ATOM 520 CZ TYR A 37 0.454 6.764 -9.590 1.00 2.04 C ATOM 521 OH TYR A 37 -0.491 7.516 -10.269 1.00 2.78 O ATOM 0 H TYR A 37 3.312 5.820 -4.544 1.00 0.27 H new ATOM 0 HA TYR A 37 1.670 3.775 -5.939 1.00 0.34 H new ATOM 0 HB2 TYR A 37 4.054 5.429 -6.771 1.00 0.53 H new ATOM 0 HB3 TYR A 37 3.667 3.917 -7.567 1.00 0.53 H new ATOM 0 HD1 TYR A 37 1.401 3.699 -8.759 1.00 1.42 H new ATOM 0 HD2 TYR A 37 2.856 7.414 -7.256 1.00 0.90 H new ATOM 0 HE1 TYR A 37 -0.251 4.893 -10.113 1.00 2.10 H new ATOM 0 HE2 TYR A 37 1.181 8.611 -8.613 1.00 1.47 H new ATOM 0 HH TYR A 37 -0.286 8.469 -10.166 1.00 2.78 H new ATOM 531 N PHE A 38 3.834 2.078 -5.794 1.00 0.26 N ATOM 532 CA PHE A 38 4.887 1.174 -5.348 1.00 0.25 C ATOM 533 C PHE A 38 6.237 1.832 -5.551 1.00 0.32 C ATOM 534 O PHE A 38 6.878 2.264 -4.599 1.00 0.38 O ATOM 535 CB PHE A 38 4.860 -0.139 -6.112 1.00 0.27 C ATOM 536 CG PHE A 38 4.672 -1.343 -5.235 1.00 0.26 C ATOM 537 CD1 PHE A 38 5.747 -1.907 -4.568 1.00 0.33 C ATOM 538 CD2 PHE A 38 3.417 -1.902 -5.068 1.00 0.33 C ATOM 539 CE1 PHE A 38 5.572 -3.008 -3.752 1.00 0.41 C ATOM 540 CE2 PHE A 38 3.236 -3.000 -4.252 1.00 0.41 C ATOM 541 CZ PHE A 38 4.314 -3.555 -3.593 1.00 0.43 C ATOM 0 H PHE A 38 3.349 1.793 -6.645 1.00 0.26 H new ATOM 0 HA PHE A 38 4.718 0.961 -4.292 1.00 0.25 H new ATOM 0 HB2 PHE A 38 4.055 -0.106 -6.846 1.00 0.27 H new ATOM 0 HB3 PHE A 38 5.792 -0.246 -6.666 1.00 0.27 H new ATOM 0 HD1 PHE A 38 6.732 -1.482 -4.687 1.00 0.33 H new ATOM 0 HD2 PHE A 38 2.569 -1.474 -5.582 1.00 0.33 H new ATOM 0 HE1 PHE A 38 6.418 -3.440 -3.239 1.00 0.41 H new ATOM 0 HE2 PHE A 38 2.251 -3.425 -4.129 1.00 0.41 H new ATOM 0 HZ PHE A 38 4.174 -4.415 -2.955 1.00 0.43 H new ATOM 551 N GLU A 39 6.660 1.900 -6.803 1.00 0.40 N ATOM 552 CA GLU A 39 7.877 2.614 -7.160 1.00 0.51 C ATOM 553 C GLU A 39 7.537 3.869 -7.945 1.00 0.51 C ATOM 554 O GLU A 39 8.381 4.735 -8.152 1.00 0.61 O ATOM 555 CB GLU A 39 8.811 1.728 -7.980 1.00 0.61 C ATOM 556 CG GLU A 39 9.277 0.485 -7.244 1.00 1.11 C ATOM 557 CD GLU A 39 10.333 -0.276 -8.015 1.00 1.75 C ATOM 558 OE1 GLU A 39 9.966 -1.145 -8.830 1.00 2.19 O ATOM 559 OE2 GLU A 39 11.533 -0.002 -7.804 1.00 2.39 O ATOM 0 H GLU A 39 6.178 1.469 -7.591 1.00 0.40 H new ATOM 0 HA GLU A 39 8.388 2.893 -6.238 1.00 0.51 H new ATOM 0 HB2 GLU A 39 8.301 1.427 -8.895 1.00 0.61 H new ATOM 0 HB3 GLU A 39 9.682 2.311 -8.277 1.00 0.61 H new ATOM 0 HG2 GLU A 39 9.676 0.770 -6.270 1.00 1.11 H new ATOM 0 HG3 GLU A 39 8.423 -0.167 -7.060 1.00 1.11 H new ATOM 566 N GLY A 40 6.284 3.964 -8.370 1.00 0.51 N ATOM 567 CA GLY A 40 5.854 5.110 -9.148 1.00 0.55 C ATOM 568 C GLY A 40 5.335 4.710 -10.511 1.00 0.56 C ATOM 569 O GLY A 40 6.102 4.294 -11.376 1.00 0.73 O ATOM 0 H GLY A 40 5.559 3.270 -8.191 1.00 0.51 H new ATOM 0 HA2 GLY A 40 5.073 5.644 -8.606 1.00 0.55 H new ATOM 0 HA3 GLY A 40 6.689 5.801 -9.267 1.00 0.55 H new ATOM 573 N GLY A 41 4.023 4.809 -10.690 1.00 0.55 N ATOM 574 CA GLY A 41 3.409 4.434 -11.955 1.00 0.70 C ATOM 575 C GLY A 41 3.242 2.934 -12.101 1.00 0.61 C ATOM 576 O GLY A 41 2.468 2.465 -12.937 1.00 0.70 O ATOM 0 H GLY A 41 3.370 5.143 -9.981 1.00 0.55 H new ATOM 0 HA2 GLY A 41 2.434 4.914 -12.038 1.00 0.70 H new ATOM 0 HA3 GLY A 41 4.020 4.809 -12.776 1.00 0.70 H new ATOM 580 N THR A 42 3.957 2.182 -11.279 1.00 0.53 N ATOM 581 CA THR A 42 3.938 0.729 -11.336 1.00 0.51 C ATOM 582 C THR A 42 3.667 0.159 -9.948 1.00 0.43 C ATOM 583 O THR A 42 4.124 0.718 -8.946 1.00 0.44 O ATOM 584 CB THR A 42 5.285 0.184 -11.854 1.00 0.67 C ATOM 585 OG1 THR A 42 5.737 0.974 -12.965 1.00 1.13 O ATOM 586 CG2 THR A 42 5.158 -1.271 -12.285 1.00 0.92 C ATOM 0 H THR A 42 4.566 2.561 -10.554 1.00 0.53 H new ATOM 0 HA THR A 42 3.147 0.425 -12.021 1.00 0.51 H new ATOM 0 HB THR A 42 6.009 0.243 -11.041 1.00 0.67 H new ATOM 0 HG1 THR A 42 6.593 0.624 -13.288 1.00 1.13 H new ATOM 0 HG21 THR A 42 6.122 -1.629 -12.646 1.00 0.92 H new ATOM 0 HG22 THR A 42 4.841 -1.876 -11.435 1.00 0.92 H new ATOM 0 HG23 THR A 42 4.420 -1.351 -13.083 1.00 0.92 H new ATOM 594 N LYS A 43 2.892 -0.917 -9.885 1.00 0.49 N ATOM 595 CA LYS A 43 2.601 -1.576 -8.622 1.00 0.46 C ATOM 596 C LYS A 43 2.623 -3.094 -8.820 1.00 0.55 C ATOM 597 O LYS A 43 2.204 -3.594 -9.865 1.00 0.75 O ATOM 598 CB LYS A 43 1.262 -1.080 -8.035 1.00 0.58 C ATOM 599 CG LYS A 43 0.042 -1.954 -8.323 1.00 1.15 C ATOM 600 CD LYS A 43 -0.338 -1.954 -9.799 1.00 1.41 C ATOM 601 CE LYS A 43 -0.632 -0.554 -10.310 1.00 1.96 C ATOM 602 NZ LYS A 43 -0.836 -0.538 -11.782 1.00 2.52 N ATOM 0 H LYS A 43 2.454 -1.351 -10.697 1.00 0.49 H new ATOM 0 HA LYS A 43 3.371 -1.320 -7.894 1.00 0.46 H new ATOM 0 HB2 LYS A 43 1.373 -0.989 -6.954 1.00 0.58 H new ATOM 0 HB3 LYS A 43 1.067 -0.079 -8.421 1.00 0.58 H new ATOM 0 HG2 LYS A 43 0.247 -2.976 -8.004 1.00 1.15 H new ATOM 0 HG3 LYS A 43 -0.803 -1.599 -7.733 1.00 1.15 H new ATOM 0 HD2 LYS A 43 0.473 -2.390 -10.382 1.00 1.41 H new ATOM 0 HD3 LYS A 43 -1.214 -2.586 -9.948 1.00 1.41 H new ATOM 0 HE2 LYS A 43 -1.522 -0.165 -9.815 1.00 1.96 H new ATOM 0 HE3 LYS A 43 0.193 0.109 -10.050 1.00 1.96 H new ATOM 0 HZ1 LYS A 43 -1.034 0.434 -12.094 1.00 2.52 H new ATOM 0 HZ2 LYS A 43 0.022 -0.885 -12.255 1.00 2.52 H new ATOM 0 HZ3 LYS A 43 -1.639 -1.151 -12.028 1.00 2.52 H new ATOM 616 N GLU A 44 3.148 -3.820 -7.841 1.00 0.48 N ATOM 617 CA GLU A 44 3.356 -5.255 -7.997 1.00 0.60 C ATOM 618 C GLU A 44 2.957 -6.046 -6.751 1.00 0.49 C ATOM 619 O GLU A 44 2.771 -5.493 -5.669 1.00 0.54 O ATOM 620 CB GLU A 44 4.819 -5.526 -8.349 1.00 0.83 C ATOM 621 CG GLU A 44 5.807 -4.850 -7.413 1.00 0.92 C ATOM 622 CD GLU A 44 7.240 -5.020 -7.868 1.00 1.48 C ATOM 623 OE1 GLU A 44 7.675 -4.277 -8.774 1.00 2.30 O ATOM 624 OE2 GLU A 44 7.941 -5.894 -7.319 1.00 1.80 O ATOM 0 H GLU A 44 3.436 -3.443 -6.938 1.00 0.48 H new ATOM 0 HA GLU A 44 2.709 -5.593 -8.806 1.00 0.60 H new ATOM 0 HB2 GLU A 44 4.994 -6.602 -8.333 1.00 0.83 H new ATOM 0 HB3 GLU A 44 5.007 -5.188 -9.368 1.00 0.83 H new ATOM 0 HG2 GLU A 44 5.573 -3.787 -7.348 1.00 0.92 H new ATOM 0 HG3 GLU A 44 5.695 -5.263 -6.411 1.00 0.92 H new ATOM 631 N SER A 45 2.813 -7.348 -6.930 1.00 0.61 N ATOM 632 CA SER A 45 2.482 -8.261 -5.849 1.00 0.55 C ATOM 633 C SER A 45 3.380 -9.499 -5.949 1.00 0.80 C ATOM 634 O SER A 45 3.485 -10.099 -7.016 1.00 1.15 O ATOM 635 CB SER A 45 1.018 -8.679 -5.974 1.00 0.83 C ATOM 636 OG SER A 45 0.720 -9.101 -7.297 1.00 1.61 O ATOM 0 H SER A 45 2.923 -7.804 -7.835 1.00 0.61 H new ATOM 0 HA SER A 45 2.638 -7.772 -4.887 1.00 0.55 H new ATOM 0 HB2 SER A 45 0.806 -9.487 -5.274 1.00 0.83 H new ATOM 0 HB3 SER A 45 0.373 -7.844 -5.701 1.00 0.83 H new ATOM 0 HG SER A 45 1.535 -9.436 -7.725 1.00 1.61 H new ATOM 642 N PRO A 46 4.052 -9.878 -4.855 1.00 0.85 N ATOM 643 CA PRO A 46 4.874 -11.095 -4.812 1.00 1.17 C ATOM 644 C PRO A 46 4.046 -12.358 -5.048 1.00 1.12 C ATOM 645 O PRO A 46 2.865 -12.400 -4.698 1.00 1.88 O ATOM 646 CB PRO A 46 5.447 -11.103 -3.393 1.00 1.50 C ATOM 647 CG PRO A 46 5.296 -9.706 -2.897 1.00 1.39 C ATOM 648 CD PRO A 46 4.093 -9.138 -3.599 1.00 0.92 C ATOM 0 HA PRO A 46 5.636 -11.092 -5.592 1.00 1.17 H new ATOM 0 HB2 PRO A 46 4.910 -11.806 -2.756 1.00 1.50 H new ATOM 0 HB3 PRO A 46 6.493 -11.409 -3.394 1.00 1.50 H new ATOM 0 HG2 PRO A 46 5.159 -9.690 -1.816 1.00 1.39 H new ATOM 0 HG3 PRO A 46 6.187 -9.117 -3.114 1.00 1.39 H new ATOM 0 HD2 PRO A 46 3.183 -9.284 -3.017 1.00 0.92 H new ATOM 0 HD3 PRO A 46 4.195 -8.066 -3.768 1.00 0.92 H new ATOM 656 N ASN A 47 4.683 -13.382 -5.624 1.00 1.01 N ATOM 657 CA ASN A 47 4.018 -14.652 -5.935 1.00 1.08 C ATOM 658 C ASN A 47 2.958 -14.452 -7.013 1.00 0.97 C ATOM 659 O ASN A 47 1.866 -15.022 -6.950 1.00 1.25 O ATOM 660 CB ASN A 47 3.385 -15.276 -4.687 1.00 1.23 C ATOM 661 CG ASN A 47 4.409 -15.735 -3.663 1.00 1.53 C ATOM 662 OD1 ASN A 47 5.532 -16.105 -4.008 1.00 2.43 O ATOM 663 ND2 ASN A 47 4.021 -15.733 -2.398 1.00 1.23 N ATOM 0 H ASN A 47 5.668 -13.355 -5.887 1.00 1.01 H new ATOM 0 HA ASN A 47 4.779 -15.338 -6.307 1.00 1.08 H new ATOM 0 HB2 ASN A 47 2.718 -14.549 -4.224 1.00 1.23 H new ATOM 0 HB3 ASN A 47 2.772 -16.127 -4.985 1.00 1.23 H new ATOM 0 HD21 ASN A 47 4.661 -16.046 -1.668 1.00 1.23 H new ATOM 0 HD22 ASN A 47 3.082 -15.419 -2.153 1.00 1.23 H new ATOM 670 N GLU A 48 3.312 -13.672 -8.025 1.00 0.86 N ATOM 671 CA GLU A 48 2.378 -13.271 -9.069 1.00 0.93 C ATOM 672 C GLU A 48 2.356 -14.287 -10.217 1.00 0.93 C ATOM 673 O GLU A 48 2.105 -13.938 -11.371 1.00 1.53 O ATOM 674 CB GLU A 48 2.737 -11.867 -9.592 1.00 1.24 C ATOM 675 CG GLU A 48 4.032 -11.783 -10.405 1.00 1.89 C ATOM 676 CD GLU A 48 5.279 -12.124 -9.612 1.00 2.65 C ATOM 677 OE1 GLU A 48 5.600 -13.320 -9.483 1.00 2.99 O ATOM 678 OE2 GLU A 48 5.939 -11.198 -9.106 1.00 3.26 O ATOM 0 H GLU A 48 4.254 -13.299 -8.146 1.00 0.86 H new ATOM 0 HA GLU A 48 1.378 -13.240 -8.637 1.00 0.93 H new ATOM 0 HB2 GLU A 48 1.915 -11.507 -10.211 1.00 1.24 H new ATOM 0 HB3 GLU A 48 2.817 -11.190 -8.742 1.00 1.24 H new ATOM 0 HG2 GLU A 48 3.959 -12.459 -11.257 1.00 1.89 H new ATOM 0 HG3 GLU A 48 4.133 -10.774 -10.806 1.00 1.89 H new ATOM 685 N SER A 49 2.592 -15.549 -9.891 1.00 0.94 N ATOM 686 CA SER A 49 2.624 -16.608 -10.896 1.00 1.13 C ATOM 687 C SER A 49 1.232 -17.192 -11.130 1.00 1.05 C ATOM 688 O SER A 49 1.084 -18.228 -11.780 1.00 1.48 O ATOM 689 CB SER A 49 3.586 -17.712 -10.461 1.00 1.39 C ATOM 690 OG SER A 49 4.883 -17.189 -10.233 1.00 2.06 O ATOM 0 H SER A 49 2.765 -15.868 -8.938 1.00 0.94 H new ATOM 0 HA SER A 49 2.971 -16.174 -11.834 1.00 1.13 H new ATOM 0 HB2 SER A 49 3.215 -18.186 -9.552 1.00 1.39 H new ATOM 0 HB3 SER A 49 3.630 -18.485 -11.228 1.00 1.39 H new ATOM 0 HG SER A 49 5.483 -17.912 -9.954 1.00 2.06 H new ATOM 696 N MET A 50 0.218 -16.513 -10.608 1.00 0.77 N ATOM 697 CA MET A 50 -1.159 -16.991 -10.691 1.00 0.69 C ATOM 698 C MET A 50 -2.116 -15.959 -10.113 1.00 0.60 C ATOM 699 O MET A 50 -3.252 -15.813 -10.565 1.00 0.66 O ATOM 700 CB MET A 50 -1.315 -18.317 -9.946 1.00 0.68 C ATOM 701 CG MET A 50 -0.795 -18.289 -8.516 1.00 0.66 C ATOM 702 SD MET A 50 -0.918 -19.885 -7.693 1.00 1.25 S ATOM 703 CE MET A 50 -0.152 -19.511 -6.120 1.00 1.10 C ATOM 0 H MET A 50 0.323 -15.624 -10.119 1.00 0.77 H new ATOM 0 HA MET A 50 -1.400 -17.148 -11.742 1.00 0.69 H new ATOM 0 HB2 MET A 50 -2.370 -18.593 -9.933 1.00 0.68 H new ATOM 0 HB3 MET A 50 -0.789 -19.096 -10.498 1.00 0.68 H new ATOM 0 HG2 MET A 50 0.247 -17.968 -8.520 1.00 0.66 H new ATOM 0 HG3 MET A 50 -1.355 -17.548 -7.946 1.00 0.66 H new ATOM 0 HE1 MET A 50 -0.215 -20.382 -5.468 1.00 1.10 H new ATOM 0 HE2 MET A 50 0.895 -19.251 -6.278 1.00 1.10 H new ATOM 0 HE3 MET A 50 -0.668 -18.672 -5.654 1.00 1.10 H new ATOM 713 N PHE A 51 -1.633 -15.245 -9.111 1.00 0.52 N ATOM 714 CA PHE A 51 -2.428 -14.264 -8.398 1.00 0.44 C ATOM 715 C PHE A 51 -1.741 -12.901 -8.480 1.00 0.51 C ATOM 716 O PHE A 51 -0.560 -12.834 -8.810 1.00 0.74 O ATOM 717 CB PHE A 51 -2.632 -14.747 -6.958 1.00 0.37 C ATOM 718 CG PHE A 51 -3.838 -15.638 -6.802 1.00 0.38 C ATOM 719 CD1 PHE A 51 -3.881 -16.887 -7.407 1.00 0.60 C ATOM 720 CD2 PHE A 51 -4.920 -15.235 -6.037 1.00 0.40 C ATOM 721 CE1 PHE A 51 -4.980 -17.708 -7.253 1.00 0.73 C ATOM 722 CE2 PHE A 51 -6.020 -16.053 -5.881 1.00 0.49 C ATOM 723 CZ PHE A 51 -6.074 -17.267 -6.543 1.00 0.61 C ATOM 0 H PHE A 51 -0.676 -15.331 -8.769 1.00 0.52 H new ATOM 0 HA PHE A 51 -3.414 -14.150 -8.848 1.00 0.44 H new ATOM 0 HB2 PHE A 51 -1.743 -15.287 -6.632 1.00 0.37 H new ATOM 0 HB3 PHE A 51 -2.738 -13.883 -6.302 1.00 0.37 H new ATOM 0 HD1 PHE A 51 -3.045 -17.220 -8.005 1.00 0.60 H new ATOM 0 HD2 PHE A 51 -4.902 -14.268 -5.556 1.00 0.40 H new ATOM 0 HE1 PHE A 51 -4.982 -18.696 -7.689 1.00 0.73 H new ATOM 0 HE2 PHE A 51 -6.837 -15.747 -5.244 1.00 0.49 H new ATOM 0 HZ PHE A 51 -6.971 -17.867 -6.503 1.00 0.61 H new ATOM 733 N THR A 52 -2.460 -11.819 -8.199 1.00 0.47 N ATOM 734 CA THR A 52 -1.975 -10.492 -8.570 1.00 0.61 C ATOM 735 C THR A 52 -2.647 -9.380 -7.758 1.00 0.49 C ATOM 736 O THR A 52 -3.644 -9.604 -7.064 1.00 0.75 O ATOM 737 CB THR A 52 -2.185 -10.240 -10.083 1.00 1.10 C ATOM 738 OG1 THR A 52 -1.471 -9.067 -10.502 1.00 1.41 O ATOM 739 CG2 THR A 52 -3.663 -10.080 -10.414 1.00 1.46 C ATOM 0 H THR A 52 -3.363 -11.831 -7.725 1.00 0.47 H new ATOM 0 HA THR A 52 -0.909 -10.469 -8.343 1.00 0.61 H new ATOM 0 HB THR A 52 -1.799 -11.108 -10.618 1.00 1.10 H new ATOM 0 HG1 THR A 52 -1.613 -8.923 -11.461 1.00 1.41 H new ATOM 0 HG21 THR A 52 -3.779 -9.904 -11.483 1.00 1.46 H new ATOM 0 HG22 THR A 52 -4.199 -10.987 -10.135 1.00 1.46 H new ATOM 0 HG23 THR A 52 -4.070 -9.234 -9.861 1.00 1.46 H new ATOM 747 N VAL A 53 -2.082 -8.181 -7.860 1.00 0.46 N ATOM 748 CA VAL A 53 -2.525 -7.024 -7.094 1.00 0.44 C ATOM 749 C VAL A 53 -3.358 -6.064 -7.959 1.00 0.49 C ATOM 750 O VAL A 53 -3.045 -5.834 -9.127 1.00 0.76 O ATOM 751 CB VAL A 53 -1.304 -6.259 -6.524 1.00 0.67 C ATOM 752 CG1 VAL A 53 -0.365 -5.834 -7.641 1.00 1.00 C ATOM 753 CG2 VAL A 53 -1.735 -5.050 -5.706 1.00 1.31 C ATOM 0 H VAL A 53 -1.298 -7.985 -8.482 1.00 0.46 H new ATOM 0 HA VAL A 53 -3.148 -7.391 -6.278 1.00 0.44 H new ATOM 0 HB VAL A 53 -0.772 -6.940 -5.860 1.00 0.67 H new ATOM 0 HG11 VAL A 53 0.485 -5.299 -7.218 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -0.010 -6.716 -8.173 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -0.896 -5.182 -8.334 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.853 -4.537 -5.322 1.00 1.31 H new ATOM 0 HG22 VAL A 53 -2.305 -4.368 -6.337 1.00 1.31 H new ATOM 0 HG23 VAL A 53 -2.356 -5.377 -4.872 1.00 1.31 H new ATOM 763 N GLU A 54 -4.424 -5.529 -7.379 1.00 0.45 N ATOM 764 CA GLU A 54 -5.220 -4.481 -8.010 1.00 0.52 C ATOM 765 C GLU A 54 -5.054 -3.184 -7.225 1.00 0.46 C ATOM 766 O GLU A 54 -4.962 -3.200 -5.997 1.00 0.59 O ATOM 767 CB GLU A 54 -6.702 -4.871 -8.065 1.00 0.71 C ATOM 768 CG GLU A 54 -7.303 -5.157 -6.701 1.00 1.35 C ATOM 769 CD GLU A 54 -8.813 -5.161 -6.711 1.00 1.86 C ATOM 770 OE1 GLU A 54 -9.419 -4.069 -6.759 1.00 2.45 O ATOM 771 OE2 GLU A 54 -9.401 -6.260 -6.695 1.00 2.18 O ATOM 0 H GLU A 54 -4.762 -5.808 -6.458 1.00 0.45 H new ATOM 0 HA GLU A 54 -4.869 -4.344 -9.033 1.00 0.52 H new ATOM 0 HB2 GLU A 54 -7.264 -4.067 -8.540 1.00 0.71 H new ATOM 0 HB3 GLU A 54 -6.814 -5.753 -8.695 1.00 0.71 H new ATOM 0 HG2 GLU A 54 -6.945 -6.124 -6.348 1.00 1.35 H new ATOM 0 HG3 GLU A 54 -6.952 -4.408 -5.991 1.00 1.35 H new ATOM 778 N ASN A 55 -5.013 -2.065 -7.923 1.00 0.49 N ATOM 779 CA ASN A 55 -4.787 -0.782 -7.270 1.00 0.46 C ATOM 780 C ASN A 55 -6.038 0.089 -7.316 1.00 0.46 C ATOM 781 O ASN A 55 -6.949 -0.162 -8.103 1.00 0.65 O ATOM 782 CB ASN A 55 -3.622 -0.043 -7.926 1.00 0.62 C ATOM 783 CG ASN A 55 -3.952 0.471 -9.316 1.00 1.21 C ATOM 784 OD1 ASN A 55 -3.823 -0.252 -10.304 1.00 1.84 O ATOM 785 ND2 ASN A 55 -4.366 1.726 -9.402 1.00 1.93 N ATOM 0 H ASN A 55 -5.132 -2.014 -8.935 1.00 0.49 H new ATOM 0 HA ASN A 55 -4.542 -0.982 -6.227 1.00 0.46 H new ATOM 0 HB2 ASN A 55 -3.330 0.796 -7.295 1.00 0.62 H new ATOM 0 HB3 ASN A 55 -2.763 -0.711 -7.986 1.00 0.62 H new ATOM 0 HD21 ASN A 55 -4.592 2.127 -10.312 1.00 1.93 H new ATOM 0 HD22 ASN A 55 -4.459 2.291 -8.558 1.00 1.93 H new ATOM 792 N LYS A 56 -6.080 1.090 -6.442 1.00 0.42 N ATOM 793 CA LYS A 56 -7.115 2.121 -6.469 1.00 0.43 C ATOM 794 C LYS A 56 -6.671 3.288 -5.597 1.00 0.46 C ATOM 795 O LYS A 56 -6.563 3.155 -4.379 1.00 0.53 O ATOM 796 CB LYS A 56 -8.485 1.590 -6.002 1.00 0.55 C ATOM 797 CG LYS A 56 -8.520 1.059 -4.576 1.00 1.03 C ATOM 798 CD LYS A 56 -8.005 -0.369 -4.477 1.00 0.62 C ATOM 799 CE LYS A 56 -9.000 -1.385 -5.017 1.00 1.26 C ATOM 800 NZ LYS A 56 -9.130 -1.356 -6.505 1.00 1.42 N ATOM 0 H LYS A 56 -5.397 1.210 -5.694 1.00 0.42 H new ATOM 0 HA LYS A 56 -7.243 2.448 -7.501 1.00 0.43 H new ATOM 0 HB2 LYS A 56 -9.218 2.392 -6.093 1.00 0.55 H new ATOM 0 HB3 LYS A 56 -8.798 0.794 -6.677 1.00 0.55 H new ATOM 0 HG2 LYS A 56 -7.919 1.705 -3.936 1.00 1.03 H new ATOM 0 HG3 LYS A 56 -9.542 1.101 -4.200 1.00 1.03 H new ATOM 0 HD2 LYS A 56 -7.069 -0.453 -5.029 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -7.783 -0.601 -3.435 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -8.693 -2.384 -4.706 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -9.977 -1.198 -4.571 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -9.137 -2.329 -6.872 1.00 1.42 H new ATOM 0 HZ2 LYS A 56 -10.017 -0.880 -6.767 1.00 1.42 H new ATOM 0 HZ3 LYS A 56 -8.326 -0.838 -6.914 1.00 1.42 H new ATOM 814 N TYR A 57 -6.384 4.418 -6.212 1.00 0.48 N ATOM 815 CA TYR A 57 -5.816 5.530 -5.469 1.00 0.56 C ATOM 816 C TYR A 57 -6.792 6.690 -5.349 1.00 0.57 C ATOM 817 O TYR A 57 -7.149 7.335 -6.340 1.00 0.71 O ATOM 818 CB TYR A 57 -4.531 6.018 -6.107 1.00 0.69 C ATOM 819 CG TYR A 57 -3.598 4.925 -6.580 1.00 0.54 C ATOM 820 CD1 TYR A 57 -3.281 3.867 -5.742 1.00 0.61 C ATOM 821 CD2 TYR A 57 -3.054 4.933 -7.865 1.00 0.91 C ATOM 822 CE1 TYR A 57 -2.444 2.853 -6.158 1.00 0.98 C ATOM 823 CE2 TYR A 57 -2.220 3.915 -8.286 1.00 1.19 C ATOM 824 CZ TYR A 57 -1.847 2.958 -7.472 1.00 1.19 C ATOM 825 OH TYR A 57 -1.095 1.855 -7.847 1.00 1.66 O ATOM 0 H TYR A 57 -6.531 4.592 -7.206 1.00 0.48 H new ATOM 0 HA TYR A 57 -5.599 5.155 -4.469 1.00 0.56 H new ATOM 0 HB2 TYR A 57 -4.783 6.653 -6.956 1.00 0.69 H new ATOM 0 HB3 TYR A 57 -4.000 6.643 -5.388 1.00 0.69 H new ATOM 0 HD1 TYR A 57 -3.697 3.836 -4.746 1.00 0.61 H new ATOM 0 HD2 TYR A 57 -3.288 5.744 -8.538 1.00 0.91 H new ATOM 0 HE1 TYR A 57 -2.240 2.005 -5.521 1.00 0.98 H new ATOM 0 HE2 TYR A 57 -1.868 3.908 -9.307 1.00 1.19 H new ATOM 0 HH TYR A 57 -0.630 1.494 -7.063 1.00 1.66 H new ATOM 835 N PHE A 58 -7.229 6.933 -4.128 1.00 0.52 N ATOM 836 CA PHE A 58 -8.040 8.090 -3.809 1.00 0.60 C ATOM 837 C PHE A 58 -7.256 9.021 -2.893 1.00 0.73 C ATOM 838 O PHE A 58 -6.998 8.684 -1.749 1.00 0.80 O ATOM 839 CB PHE A 58 -9.348 7.660 -3.147 1.00 0.67 C ATOM 840 CG PHE A 58 -10.251 6.887 -4.068 1.00 0.96 C ATOM 841 CD1 PHE A 58 -10.089 5.521 -4.229 1.00 1.56 C ATOM 842 CD2 PHE A 58 -11.265 7.525 -4.765 1.00 1.19 C ATOM 843 CE1 PHE A 58 -10.921 4.806 -5.069 1.00 2.14 C ATOM 844 CE2 PHE A 58 -12.099 6.815 -5.606 1.00 1.65 C ATOM 845 CZ PHE A 58 -11.909 5.461 -5.784 1.00 2.08 C ATOM 0 H PHE A 58 -7.031 6.332 -3.328 1.00 0.52 H new ATOM 0 HA PHE A 58 -8.287 8.620 -4.729 1.00 0.60 H new ATOM 0 HB2 PHE A 58 -9.122 7.049 -2.273 1.00 0.67 H new ATOM 0 HB3 PHE A 58 -9.875 8.545 -2.790 1.00 0.67 H new ATOM 0 HD1 PHE A 58 -9.304 5.009 -3.692 1.00 1.56 H new ATOM 0 HD2 PHE A 58 -11.404 8.590 -4.649 1.00 1.19 H new ATOM 0 HE1 PHE A 58 -10.801 3.737 -5.168 1.00 2.14 H new ATOM 0 HE2 PHE A 58 -12.900 7.320 -6.124 1.00 1.65 H new ATOM 0 HZ PHE A 58 -12.529 4.913 -6.479 1.00 2.08 H new ATOM 855 N PRO A 59 -6.817 10.185 -3.390 1.00 0.90 N ATOM 856 CA PRO A 59 -6.071 11.164 -2.604 1.00 1.17 C ATOM 857 C PRO A 59 -6.860 12.418 -2.154 1.00 1.32 C ATOM 858 O PRO A 59 -6.444 13.538 -2.444 1.00 1.92 O ATOM 859 CB PRO A 59 -4.980 11.578 -3.599 1.00 1.46 C ATOM 860 CG PRO A 59 -5.485 11.167 -4.959 1.00 1.30 C ATOM 861 CD PRO A 59 -6.872 10.607 -4.773 1.00 1.01 C ATOM 0 HA PRO A 59 -5.745 10.732 -1.658 1.00 1.17 H new ATOM 0 HB2 PRO A 59 -4.800 12.652 -3.557 1.00 1.46 H new ATOM 0 HB3 PRO A 59 -4.034 11.087 -3.369 1.00 1.46 H new ATOM 0 HG2 PRO A 59 -5.503 12.021 -5.636 1.00 1.30 H new ATOM 0 HG3 PRO A 59 -4.826 10.421 -5.404 1.00 1.30 H new ATOM 0 HD2 PRO A 59 -7.645 11.356 -4.945 1.00 1.01 H new ATOM 0 HD3 PRO A 59 -7.076 9.777 -5.450 1.00 1.01 H new ATOM 869 N PRO A 60 -8.006 12.271 -1.456 1.00 1.14 N ATOM 870 CA PRO A 60 -8.681 13.371 -0.795 1.00 1.27 C ATOM 871 C PRO A 60 -8.279 13.471 0.684 1.00 1.97 C ATOM 872 O PRO A 60 -7.604 12.597 1.219 1.00 2.64 O ATOM 873 CB PRO A 60 -10.155 13.012 -0.954 1.00 1.41 C ATOM 874 CG PRO A 60 -10.194 11.554 -1.266 1.00 1.85 C ATOM 875 CD PRO A 60 -8.775 11.055 -1.290 1.00 1.56 C ATOM 0 HA PRO A 60 -8.431 14.344 -1.217 1.00 1.27 H new ATOM 0 HB2 PRO A 60 -10.710 13.230 -0.042 1.00 1.41 H new ATOM 0 HB3 PRO A 60 -10.614 13.594 -1.753 1.00 1.41 H new ATOM 0 HG2 PRO A 60 -10.776 11.018 -0.516 1.00 1.85 H new ATOM 0 HG3 PRO A 60 -10.677 11.381 -2.228 1.00 1.85 H new ATOM 0 HD2 PRO A 60 -8.514 10.535 -0.368 1.00 1.56 H new ATOM 0 HD3 PRO A 60 -8.607 10.356 -2.109 1.00 1.56 H new ATOM 883 N ASP A 61 -8.713 14.538 1.332 1.00 2.53 N ATOM 884 CA ASP A 61 -8.211 14.919 2.660 1.00 3.55 C ATOM 885 C ASP A 61 -9.356 15.240 3.600 1.00 4.33 C ATOM 886 O ASP A 61 -9.690 14.455 4.484 1.00 4.81 O ATOM 887 CB ASP A 61 -7.322 16.154 2.537 1.00 4.18 C ATOM 888 CG ASP A 61 -6.809 16.660 3.873 1.00 5.17 C ATOM 889 OD1 ASP A 61 -5.774 16.142 4.341 1.00 5.80 O ATOM 890 OD2 ASP A 61 -7.441 17.557 4.465 1.00 5.51 O ATOM 0 H ASP A 61 -9.422 15.170 0.961 1.00 2.53 H new ATOM 0 HA ASP A 61 -7.644 14.079 3.061 1.00 3.55 H new ATOM 0 HB2 ASP A 61 -6.473 15.919 1.895 1.00 4.18 H new ATOM 0 HB3 ASP A 61 -7.883 16.949 2.046 1.00 4.18 H new ATOM 895 N SER A 62 -9.955 16.407 3.385 1.00 4.84 N ATOM 896 CA SER A 62 -11.120 16.832 4.137 1.00 5.85 C ATOM 897 C SER A 62 -11.700 18.138 3.585 1.00 6.45 C ATOM 898 O SER A 62 -12.916 18.320 3.563 1.00 6.95 O ATOM 899 CB SER A 62 -10.791 16.972 5.630 1.00 6.81 C ATOM 900 OG SER A 62 -9.657 17.803 5.836 1.00 7.43 O ATOM 0 H SER A 62 -9.644 17.080 2.685 1.00 4.84 H new ATOM 0 HA SER A 62 -11.880 16.058 4.026 1.00 5.85 H new ATOM 0 HB2 SER A 62 -11.650 17.389 6.156 1.00 6.81 H new ATOM 0 HB3 SER A 62 -10.604 15.987 6.057 1.00 6.81 H new ATOM 0 HG SER A 62 -8.850 17.336 5.533 1.00 7.43 H new ATOM 906 N LYS A 63 -10.835 19.026 3.113 1.00 6.69 N ATOM 907 CA LYS A 63 -11.274 20.331 2.620 1.00 7.56 C ATOM 908 C LYS A 63 -10.735 20.593 1.209 1.00 7.34 C ATOM 909 O LYS A 63 -11.494 20.603 0.244 1.00 8.03 O ATOM 910 CB LYS A 63 -10.890 21.464 3.609 1.00 8.44 C ATOM 911 CG LYS A 63 -9.392 21.740 3.804 1.00 8.39 C ATOM 912 CD LYS A 63 -8.635 20.544 4.361 1.00 7.90 C ATOM 913 CE LYS A 63 -7.248 20.926 4.851 1.00 8.47 C ATOM 914 NZ LYS A 63 -6.633 19.832 5.649 1.00 8.71 N ATOM 0 H LYS A 63 -9.828 18.870 3.060 1.00 6.69 H new ATOM 0 HA LYS A 63 -12.362 20.321 2.555 1.00 7.56 H new ATOM 0 HB2 LYS A 63 -11.363 22.385 3.269 1.00 8.44 H new ATOM 0 HB3 LYS A 63 -11.320 21.225 4.582 1.00 8.44 H new ATOM 0 HG2 LYS A 63 -8.954 22.027 2.848 1.00 8.39 H new ATOM 0 HG3 LYS A 63 -9.269 22.587 4.479 1.00 8.39 H new ATOM 0 HD2 LYS A 63 -9.202 20.107 5.183 1.00 7.90 H new ATOM 0 HD3 LYS A 63 -8.549 19.778 3.590 1.00 7.90 H new ATOM 0 HE2 LYS A 63 -6.611 21.159 3.998 1.00 8.47 H new ATOM 0 HE3 LYS A 63 -7.311 21.829 5.458 1.00 8.47 H new ATOM 0 HZ1 LYS A 63 -5.600 19.954 5.667 1.00 8.71 H new ATOM 0 HZ2 LYS A 63 -7.002 19.862 6.621 1.00 8.71 H new ATOM 0 HZ3 LYS A 63 -6.866 18.915 5.218 1.00 8.71 H new ATOM 928 N LEU A 64 -9.427 20.789 1.105 1.00 6.59 N ATOM 929 CA LEU A 64 -8.747 20.940 -0.175 1.00 6.64 C ATOM 930 C LEU A 64 -9.003 19.713 -1.019 1.00 5.83 C ATOM 931 O LEU A 64 -9.641 19.767 -2.068 1.00 6.33 O ATOM 932 CB LEU A 64 -7.258 21.035 0.068 1.00 6.54 C ATOM 933 CG LEU A 64 -6.809 22.155 1.011 1.00 7.43 C ATOM 934 CD1 LEU A 64 -5.315 22.060 1.278 1.00 7.88 C ATOM 935 CD2 LEU A 64 -7.160 23.518 0.431 1.00 8.10 C ATOM 0 H LEU A 64 -8.804 20.848 1.911 1.00 6.59 H new ATOM 0 HA LEU A 64 -9.113 21.834 -0.679 1.00 6.64 H new ATOM 0 HB2 LEU A 64 -6.913 20.084 0.473 1.00 6.54 H new ATOM 0 HB3 LEU A 64 -6.760 21.172 -0.892 1.00 6.54 H new ATOM 0 HG LEU A 64 -7.337 22.038 1.957 1.00 7.43 H new ATOM 0 HD11 LEU A 64 -5.014 22.864 1.950 1.00 7.88 H new ATOM 0 HD12 LEU A 64 -5.088 21.098 1.738 1.00 7.88 H new ATOM 0 HD13 LEU A 64 -4.771 22.150 0.338 1.00 7.88 H new ATOM 0 HD21 LEU A 64 -6.833 24.300 1.116 1.00 8.10 H new ATOM 0 HD22 LEU A 64 -6.660 23.644 -0.529 1.00 8.10 H new ATOM 0 HD23 LEU A 64 -8.239 23.587 0.291 1.00 8.10 H new ATOM 947 N LEU A 65 -8.474 18.604 -0.537 1.00 4.74 N ATOM 948 CA LEU A 65 -8.821 17.320 -1.046 1.00 4.07 C ATOM 949 C LEU A 65 -10.054 16.920 -0.288 1.00 3.22 C ATOM 950 O LEU A 65 -10.154 17.203 0.901 1.00 3.56 O ATOM 951 CB LEU A 65 -7.680 16.317 -0.864 1.00 4.05 C ATOM 952 CG LEU A 65 -6.415 16.552 -1.697 1.00 4.01 C ATOM 953 CD1 LEU A 65 -6.772 16.770 -3.159 1.00 4.35 C ATOM 954 CD2 LEU A 65 -5.603 17.715 -1.149 1.00 4.56 C ATOM 0 H LEU A 65 -7.791 18.584 0.220 1.00 4.74 H new ATOM 0 HA LEU A 65 -9.005 17.342 -2.120 1.00 4.07 H new ATOM 0 HB2 LEU A 65 -7.397 16.311 0.189 1.00 4.05 H new ATOM 0 HB3 LEU A 65 -8.061 15.323 -1.098 1.00 4.05 H new ATOM 0 HG LEU A 65 -5.793 15.659 -1.629 1.00 4.01 H new ATOM 0 HD11 LEU A 65 -5.862 16.935 -3.735 1.00 4.35 H new ATOM 0 HD12 LEU A 65 -7.289 15.890 -3.542 1.00 4.35 H new ATOM 0 HD13 LEU A 65 -7.421 17.641 -3.249 1.00 4.35 H new ATOM 0 HD21 LEU A 65 -4.712 17.857 -1.761 1.00 4.56 H new ATOM 0 HD22 LEU A 65 -6.207 18.622 -1.171 1.00 4.56 H new ATOM 0 HD23 LEU A 65 -5.307 17.500 -0.122 1.00 4.56 H new ATOM 966 N GLY A 66 -10.974 16.264 -0.935 1.00 2.53 N ATOM 967 CA GLY A 66 -12.327 16.314 -0.453 1.00 2.28 C ATOM 968 C GLY A 66 -12.691 15.206 0.510 1.00 2.48 C ATOM 969 O GLY A 66 -13.818 14.708 0.494 1.00 3.02 O ATOM 0 H GLY A 66 -10.822 15.703 -1.773 1.00 2.53 H new ATOM 0 HA2 GLY A 66 -12.489 17.273 0.039 1.00 2.28 H new ATOM 0 HA3 GLY A 66 -13.005 16.274 -1.306 1.00 2.28 H new ATOM 973 N ALA A 67 -11.737 14.855 1.361 1.00 2.66 N ATOM 974 CA ALA A 67 -11.874 13.765 2.340 1.00 3.24 C ATOM 975 C ALA A 67 -12.034 12.419 1.676 1.00 3.13 C ATOM 976 O ALA A 67 -12.706 12.284 0.653 1.00 3.73 O ATOM 977 CB ALA A 67 -13.030 13.980 3.293 1.00 4.02 C ATOM 0 H ALA A 67 -10.830 15.321 1.398 1.00 2.66 H new ATOM 0 HA ALA A 67 -10.944 13.776 2.909 1.00 3.24 H new ATOM 0 HB1 ALA A 67 -13.084 13.146 3.993 1.00 4.02 H new ATOM 0 HB2 ALA A 67 -12.879 14.908 3.845 1.00 4.02 H new ATOM 0 HB3 ALA A 67 -13.960 14.041 2.728 1.00 4.02 H new ATOM 983 N GLY A 68 -11.429 11.412 2.262 1.00 2.74 N ATOM 984 CA GLY A 68 -11.525 10.107 1.689 1.00 2.84 C ATOM 985 C GLY A 68 -10.186 9.570 1.273 1.00 2.21 C ATOM 986 O GLY A 68 -10.117 8.757 0.358 1.00 2.79 O ATOM 0 H GLY A 68 -10.878 11.476 3.118 1.00 2.74 H new ATOM 0 HA2 GLY A 68 -11.979 9.428 2.411 1.00 2.84 H new ATOM 0 HA3 GLY A 68 -12.186 10.140 0.823 1.00 2.84 H new ATOM 990 N GLY A 69 -9.113 10.046 1.904 1.00 1.49 N ATOM 991 CA GLY A 69 -7.787 9.611 1.524 1.00 1.05 C ATOM 992 C GLY A 69 -7.650 8.112 1.588 1.00 0.84 C ATOM 993 O GLY A 69 -7.621 7.534 2.673 1.00 1.12 O ATOM 0 H GLY A 69 -9.143 10.722 2.667 1.00 1.49 H new ATOM 0 HA2 GLY A 69 -7.568 9.953 0.512 1.00 1.05 H new ATOM 0 HA3 GLY A 69 -7.051 10.072 2.183 1.00 1.05 H new ATOM 997 N THR A 70 -7.574 7.484 0.422 1.00 0.52 N ATOM 998 CA THR A 70 -7.578 6.043 0.330 1.00 0.46 C ATOM 999 C THR A 70 -6.926 5.544 -0.948 1.00 0.39 C ATOM 1000 O THR A 70 -7.587 5.284 -1.949 1.00 0.44 O ATOM 1001 CB THR A 70 -9.000 5.485 0.424 1.00 0.58 C ATOM 1002 OG1 THR A 70 -9.925 6.311 -0.290 1.00 0.97 O ATOM 1003 CG2 THR A 70 -9.410 5.364 1.880 1.00 0.59 C ATOM 0 H THR A 70 -7.509 7.962 -0.477 1.00 0.52 H new ATOM 0 HA THR A 70 -6.991 5.683 1.175 1.00 0.46 H new ATOM 0 HB THR A 70 -9.014 4.496 -0.034 1.00 0.58 H new ATOM 0 HG1 THR A 70 -10.170 7.082 0.263 1.00 0.97 H new ATOM 0 HG21 THR A 70 -10.423 4.966 1.941 1.00 0.59 H new ATOM 0 HG22 THR A 70 -8.725 4.692 2.396 1.00 0.59 H new ATOM 0 HG23 THR A 70 -9.377 6.347 2.350 1.00 0.59 H new ATOM 1011 N GLU A 71 -5.630 5.382 -0.887 1.00 0.34 N ATOM 1012 CA GLU A 71 -4.881 4.804 -1.980 1.00 0.34 C ATOM 1013 C GLU A 71 -4.529 3.375 -1.602 1.00 0.31 C ATOM 1014 O GLU A 71 -3.649 3.134 -0.779 1.00 0.31 O ATOM 1015 CB GLU A 71 -3.617 5.626 -2.258 1.00 0.36 C ATOM 1016 CG GLU A 71 -3.907 7.079 -2.611 1.00 0.47 C ATOM 1017 CD GLU A 71 -2.663 7.850 -3.007 1.00 0.49 C ATOM 1018 OE1 GLU A 71 -2.288 7.805 -4.192 1.00 0.81 O ATOM 1019 OE2 GLU A 71 -2.068 8.512 -2.131 1.00 0.53 O ATOM 0 H GLU A 71 -5.062 5.645 -0.082 1.00 0.34 H new ATOM 0 HA GLU A 71 -5.477 4.809 -2.893 1.00 0.34 H new ATOM 0 HB2 GLU A 71 -2.972 5.595 -1.380 1.00 0.36 H new ATOM 0 HB3 GLU A 71 -3.065 5.164 -3.076 1.00 0.36 H new ATOM 0 HG2 GLU A 71 -4.625 7.112 -3.430 1.00 0.47 H new ATOM 0 HG3 GLU A 71 -4.375 7.569 -1.757 1.00 0.47 H new ATOM 1026 N HIS A 72 -5.245 2.426 -2.178 1.00 0.31 N ATOM 1027 CA HIS A 72 -5.118 1.040 -1.768 1.00 0.32 C ATOM 1028 C HIS A 72 -4.337 0.223 -2.776 1.00 0.29 C ATOM 1029 O HIS A 72 -4.379 0.471 -3.985 1.00 0.36 O ATOM 1030 CB HIS A 72 -6.462 0.347 -1.631 1.00 0.40 C ATOM 1031 CG HIS A 72 -7.436 0.904 -0.648 1.00 0.38 C ATOM 1032 ND1 HIS A 72 -8.048 0.108 0.288 1.00 0.42 N ATOM 1033 CD2 HIS A 72 -8.020 2.117 -0.552 1.00 0.46 C ATOM 1034 CE1 HIS A 72 -8.981 0.797 0.898 1.00 0.49 C ATOM 1035 NE2 HIS A 72 -8.988 2.025 0.417 1.00 0.53 N ATOM 0 H HIS A 72 -5.917 2.589 -2.928 1.00 0.31 H new ATOM 0 HA HIS A 72 -4.606 1.086 -0.807 1.00 0.32 H new ATOM 0 HB2 HIS A 72 -6.939 0.346 -2.611 1.00 0.40 H new ATOM 0 HB3 HIS A 72 -6.276 -0.694 -1.365 1.00 0.40 H new ATOM 0 HD1 HIS A 72 -7.814 -0.866 0.479 1.00 0.42 H new ATOM 0 HD2 HIS A 72 -7.772 2.995 -1.129 1.00 0.46 H new ATOM 0 HE1 HIS A 72 -9.637 0.421 1.669 1.00 0.49 H new ATOM 1044 N PHE A 73 -3.680 -0.784 -2.250 1.00 0.25 N ATOM 1045 CA PHE A 73 -3.004 -1.796 -3.027 1.00 0.25 C ATOM 1046 C PHE A 73 -3.519 -3.162 -2.601 1.00 0.25 C ATOM 1047 O PHE A 73 -3.169 -3.657 -1.542 1.00 0.30 O ATOM 1048 CB PHE A 73 -1.505 -1.696 -2.776 1.00 0.30 C ATOM 1049 CG PHE A 73 -0.878 -0.483 -3.403 1.00 0.43 C ATOM 1050 CD1 PHE A 73 -1.121 0.780 -2.886 1.00 0.75 C ATOM 1051 CD2 PHE A 73 -0.052 -0.605 -4.505 1.00 0.59 C ATOM 1052 CE1 PHE A 73 -0.548 1.898 -3.458 1.00 1.10 C ATOM 1053 CE2 PHE A 73 0.523 0.511 -5.082 1.00 0.88 C ATOM 1054 CZ PHE A 73 0.277 1.764 -4.555 1.00 1.13 C ATOM 0 H PHE A 73 -3.599 -0.926 -1.243 1.00 0.25 H new ATOM 0 HA PHE A 73 -3.196 -1.654 -4.090 1.00 0.25 H new ATOM 0 HB2 PHE A 73 -1.324 -1.676 -1.701 1.00 0.30 H new ATOM 0 HB3 PHE A 73 -1.018 -2.590 -3.165 1.00 0.30 H new ATOM 0 HD1 PHE A 73 -1.766 0.890 -2.026 1.00 0.75 H new ATOM 0 HD2 PHE A 73 0.146 -1.583 -4.919 1.00 0.59 H new ATOM 0 HE1 PHE A 73 -0.746 2.877 -3.047 1.00 1.10 H new ATOM 0 HE2 PHE A 73 1.164 0.404 -5.944 1.00 0.88 H new ATOM 0 HZ PHE A 73 0.730 2.637 -5.001 1.00 1.13 H new ATOM 1064 N HIS A 74 -4.357 -3.767 -3.415 1.00 0.25 N ATOM 1065 CA HIS A 74 -4.998 -5.019 -3.039 1.00 0.30 C ATOM 1066 C HIS A 74 -4.321 -6.181 -3.734 1.00 0.31 C ATOM 1067 O HIS A 74 -4.557 -6.411 -4.914 1.00 0.50 O ATOM 1068 CB HIS A 74 -6.475 -5.021 -3.441 1.00 0.38 C ATOM 1069 CG HIS A 74 -7.379 -4.153 -2.621 1.00 0.37 C ATOM 1070 ND1 HIS A 74 -8.742 -4.323 -2.609 1.00 0.42 N ATOM 1071 CD2 HIS A 74 -7.129 -3.111 -1.790 1.00 0.40 C ATOM 1072 CE1 HIS A 74 -9.291 -3.432 -1.813 1.00 0.47 C ATOM 1073 NE2 HIS A 74 -8.338 -2.683 -1.295 1.00 0.45 N ATOM 0 H HIS A 74 -4.613 -3.418 -4.339 1.00 0.25 H new ATOM 0 HA HIS A 74 -4.913 -5.119 -1.957 1.00 0.30 H new ATOM 0 HB2 HIS A 74 -6.548 -4.707 -4.482 1.00 0.38 H new ATOM 0 HB3 HIS A 74 -6.844 -6.046 -3.391 1.00 0.38 H new ATOM 0 HD1 HIS A 74 -9.251 -5.032 -3.137 1.00 0.42 H new ATOM 0 HD2 HIS A 74 -6.160 -2.694 -1.560 1.00 0.40 H new ATOM 0 HE1 HIS A 74 -10.348 -3.331 -1.616 1.00 0.47 H new ATOM 1082 N VAL A 75 -3.515 -6.936 -3.013 1.00 0.25 N ATOM 1083 CA VAL A 75 -2.846 -8.063 -3.618 1.00 0.26 C ATOM 1084 C VAL A 75 -3.562 -9.346 -3.229 1.00 0.25 C ATOM 1085 O VAL A 75 -3.637 -9.738 -2.061 1.00 0.27 O ATOM 1086 CB VAL A 75 -1.315 -8.124 -3.298 1.00 0.33 C ATOM 1087 CG1 VAL A 75 -0.944 -7.243 -2.119 1.00 0.71 C ATOM 1088 CG2 VAL A 75 -0.843 -9.552 -3.063 1.00 0.87 C ATOM 0 H VAL A 75 -3.312 -6.791 -2.024 1.00 0.25 H new ATOM 0 HA VAL A 75 -2.900 -7.937 -4.699 1.00 0.26 H new ATOM 0 HB VAL A 75 -0.802 -7.738 -4.179 1.00 0.33 H new ATOM 0 HG11 VAL A 75 0.127 -7.316 -1.933 1.00 0.71 H new ATOM 0 HG12 VAL A 75 -1.203 -6.208 -2.342 1.00 0.71 H new ATOM 0 HG13 VAL A 75 -1.489 -7.571 -1.234 1.00 0.71 H new ATOM 0 HG21 VAL A 75 0.225 -9.551 -2.844 1.00 0.87 H new ATOM 0 HG22 VAL A 75 -1.386 -9.981 -2.220 1.00 0.87 H new ATOM 0 HG23 VAL A 75 -1.030 -10.148 -3.956 1.00 0.87 H new ATOM 1098 N THR A 76 -4.126 -9.972 -4.231 1.00 0.28 N ATOM 1099 CA THR A 76 -4.865 -11.188 -4.049 1.00 0.32 C ATOM 1100 C THR A 76 -3.983 -12.333 -4.470 1.00 0.34 C ATOM 1101 O THR A 76 -3.726 -12.515 -5.656 1.00 0.39 O ATOM 1102 CB THR A 76 -6.152 -11.190 -4.898 1.00 0.40 C ATOM 1103 OG1 THR A 76 -6.900 -9.995 -4.649 1.00 0.46 O ATOM 1104 CG2 THR A 76 -7.016 -12.403 -4.583 1.00 0.45 C ATOM 0 H THR A 76 -4.083 -9.649 -5.197 1.00 0.28 H new ATOM 0 HA THR A 76 -5.156 -11.282 -3.003 1.00 0.32 H new ATOM 0 HB THR A 76 -5.864 -11.234 -5.948 1.00 0.40 H new ATOM 0 HG1 THR A 76 -7.716 -10.001 -5.192 1.00 0.46 H new ATOM 0 HG21 THR A 76 -7.917 -12.378 -5.197 1.00 0.45 H new ATOM 0 HG22 THR A 76 -6.457 -13.314 -4.797 1.00 0.45 H new ATOM 0 HG23 THR A 76 -7.294 -12.388 -3.529 1.00 0.45 H new ATOM 1112 N VAL A 77 -3.469 -13.043 -3.481 1.00 0.36 N ATOM 1113 CA VAL A 77 -2.578 -14.168 -3.707 1.00 0.41 C ATOM 1114 C VAL A 77 -2.751 -15.200 -2.603 1.00 0.45 C ATOM 1115 O VAL A 77 -3.101 -14.853 -1.473 1.00 0.60 O ATOM 1116 CB VAL A 77 -1.093 -13.705 -3.751 1.00 0.53 C ATOM 1117 CG1 VAL A 77 -0.720 -12.937 -2.488 1.00 0.90 C ATOM 1118 CG2 VAL A 77 -0.151 -14.889 -3.942 1.00 1.04 C ATOM 0 H VAL A 77 -3.658 -12.855 -2.496 1.00 0.36 H new ATOM 0 HA VAL A 77 -2.834 -14.612 -4.669 1.00 0.41 H new ATOM 0 HB VAL A 77 -0.985 -13.038 -4.607 1.00 0.53 H new ATOM 0 HG11 VAL A 77 0.323 -12.626 -2.546 1.00 0.90 H new ATOM 0 HG12 VAL A 77 -1.357 -12.057 -2.396 1.00 0.90 H new ATOM 0 HG13 VAL A 77 -0.859 -13.578 -1.618 1.00 0.90 H new ATOM 0 HG21 VAL A 77 0.879 -14.534 -3.969 1.00 1.04 H new ATOM 0 HG22 VAL A 77 -0.272 -15.588 -3.114 1.00 1.04 H new ATOM 0 HG23 VAL A 77 -0.385 -15.393 -4.880 1.00 1.04 H new ATOM 1128 N LYS A 78 -2.561 -16.467 -2.939 1.00 0.39 N ATOM 1129 CA LYS A 78 -2.378 -17.476 -1.922 1.00 0.41 C ATOM 1130 C LYS A 78 -1.150 -18.315 -2.274 1.00 0.40 C ATOM 1131 O LYS A 78 -1.167 -19.139 -3.187 1.00 0.42 O ATOM 1132 CB LYS A 78 -3.652 -18.323 -1.695 1.00 0.48 C ATOM 1133 CG LYS A 78 -3.896 -19.480 -2.659 1.00 0.77 C ATOM 1134 CD LYS A 78 -4.206 -19.018 -4.072 1.00 0.61 C ATOM 1135 CE LYS A 78 -4.495 -20.203 -4.985 1.00 1.29 C ATOM 1136 NZ LYS A 78 -5.771 -20.886 -4.634 1.00 1.54 N ATOM 0 H LYS A 78 -2.531 -16.812 -3.898 1.00 0.39 H new ATOM 0 HA LYS A 78 -2.199 -16.991 -0.962 1.00 0.41 H new ATOM 0 HB2 LYS A 78 -3.614 -18.727 -0.683 1.00 0.48 H new ATOM 0 HB3 LYS A 78 -4.514 -17.657 -1.740 1.00 0.48 H new ATOM 0 HG2 LYS A 78 -3.016 -20.122 -2.677 1.00 0.77 H new ATOM 0 HG3 LYS A 78 -4.724 -20.085 -2.290 1.00 0.77 H new ATOM 0 HD2 LYS A 78 -5.065 -18.347 -4.058 1.00 0.61 H new ATOM 0 HD3 LYS A 78 -3.363 -18.449 -4.465 1.00 0.61 H new ATOM 0 HE2 LYS A 78 -4.541 -19.860 -6.019 1.00 1.29 H new ATOM 0 HE3 LYS A 78 -3.674 -20.917 -4.922 1.00 1.29 H new ATOM 0 HZ1 LYS A 78 -6.022 -21.561 -5.385 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 -5.656 -21.396 -3.735 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 -6.528 -20.179 -4.537 1.00 1.54 H new ATOM 1150 N ALA A 79 -0.058 -18.037 -1.580 1.00 0.39 N ATOM 1151 CA ALA A 79 1.210 -18.704 -1.835 1.00 0.40 C ATOM 1152 C ALA A 79 2.175 -18.443 -0.692 1.00 0.43 C ATOM 1153 O ALA A 79 1.999 -17.490 0.061 1.00 0.67 O ATOM 1154 CB ALA A 79 1.805 -18.235 -3.155 1.00 0.46 C ATOM 0 H ALA A 79 -0.024 -17.348 -0.829 1.00 0.39 H new ATOM 0 HA ALA A 79 1.033 -19.777 -1.904 1.00 0.40 H new ATOM 0 HB1 ALA A 79 2.753 -18.745 -3.328 1.00 0.46 H new ATOM 0 HB2 ALA A 79 1.115 -18.465 -3.967 1.00 0.46 H new ATOM 0 HB3 ALA A 79 1.974 -17.159 -3.116 1.00 0.46 H new ATOM 1160 N ALA A 80 3.202 -19.274 -0.580 1.00 0.34 N ATOM 1161 CA ALA A 80 4.133 -19.186 0.533 1.00 0.33 C ATOM 1162 C ALA A 80 5.298 -18.258 0.204 1.00 0.34 C ATOM 1163 O ALA A 80 6.269 -18.662 -0.434 1.00 0.44 O ATOM 1164 CB ALA A 80 4.640 -20.573 0.907 1.00 0.37 C ATOM 0 H ALA A 80 3.410 -20.017 -1.247 1.00 0.34 H new ATOM 0 HA ALA A 80 3.603 -18.765 1.387 1.00 0.33 H new ATOM 0 HB1 ALA A 80 5.336 -20.493 1.742 1.00 0.37 H new ATOM 0 HB2 ALA A 80 3.798 -21.202 1.196 1.00 0.37 H new ATOM 0 HB3 ALA A 80 5.149 -21.017 0.051 1.00 0.37 H new ATOM 1170 N GLY A 81 5.182 -17.009 0.627 1.00 0.28 N ATOM 1171 CA GLY A 81 6.250 -16.046 0.437 1.00 0.29 C ATOM 1172 C GLY A 81 6.113 -14.880 1.387 1.00 0.25 C ATOM 1173 O GLY A 81 5.064 -14.693 1.993 1.00 0.26 O ATOM 0 H GLY A 81 4.359 -16.641 1.104 1.00 0.28 H new ATOM 0 HA2 GLY A 81 7.213 -16.533 0.592 1.00 0.29 H new ATOM 0 HA3 GLY A 81 6.237 -15.684 -0.591 1.00 0.29 H new ATOM 1177 N THR A 82 7.149 -14.085 1.525 1.00 0.26 N ATOM 1178 CA THR A 82 7.087 -12.962 2.438 1.00 0.25 C ATOM 1179 C THR A 82 6.869 -11.675 1.659 1.00 0.25 C ATOM 1180 O THR A 82 7.544 -11.413 0.664 1.00 0.30 O ATOM 1181 CB THR A 82 8.358 -12.858 3.295 1.00 0.32 C ATOM 1182 OG1 THR A 82 8.750 -14.168 3.731 1.00 0.40 O ATOM 1183 CG2 THR A 82 8.110 -11.976 4.510 1.00 0.36 C ATOM 0 H THR A 82 8.033 -14.190 1.026 1.00 0.26 H new ATOM 0 HA THR A 82 6.247 -13.123 3.114 1.00 0.25 H new ATOM 0 HB THR A 82 9.151 -12.415 2.693 1.00 0.32 H new ATOM 0 HG1 THR A 82 8.892 -14.161 4.701 1.00 0.40 H new ATOM 0 HG21 THR A 82 9.020 -11.913 5.106 1.00 0.36 H new ATOM 0 HG22 THR A 82 7.822 -10.977 4.182 1.00 0.36 H new ATOM 0 HG23 THR A 82 7.310 -12.405 5.114 1.00 0.36 H new ATOM 1191 N HIS A 83 5.913 -10.885 2.113 1.00 0.24 N ATOM 1192 CA HIS A 83 5.490 -9.701 1.396 1.00 0.25 C ATOM 1193 C HIS A 83 6.048 -8.456 2.070 1.00 0.24 C ATOM 1194 O HIS A 83 5.545 -8.024 3.106 1.00 0.24 O ATOM 1195 CB HIS A 83 3.956 -9.620 1.384 1.00 0.27 C ATOM 1196 CG HIS A 83 3.379 -8.780 0.277 1.00 0.31 C ATOM 1197 ND1 HIS A 83 3.936 -7.590 -0.150 1.00 0.40 N ATOM 1198 CD2 HIS A 83 2.262 -8.955 -0.470 1.00 0.37 C ATOM 1199 CE1 HIS A 83 3.183 -7.070 -1.107 1.00 0.40 C ATOM 1200 NE2 HIS A 83 2.165 -7.879 -1.321 1.00 0.39 N ATOM 0 H HIS A 83 5.411 -11.047 2.986 1.00 0.24 H new ATOM 0 HA HIS A 83 5.863 -9.759 0.374 1.00 0.25 H new ATOM 0 HB2 HIS A 83 3.553 -10.630 1.303 1.00 0.27 H new ATOM 0 HB3 HIS A 83 3.620 -9.218 2.340 1.00 0.27 H new ATOM 0 HD1 HIS A 83 4.794 -7.176 0.215 1.00 0.40 H new ATOM 0 HD2 HIS A 83 1.575 -9.786 -0.408 1.00 0.37 H new ATOM 0 HE1 HIS A 83 3.371 -6.141 -1.624 1.00 0.40 H new ATOM 1209 N ALA A 84 7.066 -7.869 1.473 1.00 0.25 N ATOM 1210 CA ALA A 84 7.596 -6.610 1.958 1.00 0.25 C ATOM 1211 C ALA A 84 7.081 -5.503 1.067 1.00 0.25 C ATOM 1212 O ALA A 84 7.453 -5.402 -0.101 1.00 0.35 O ATOM 1213 CB ALA A 84 9.115 -6.628 1.973 1.00 0.31 C ATOM 0 H ALA A 84 7.542 -8.243 0.652 1.00 0.25 H new ATOM 0 HA ALA A 84 7.267 -6.444 2.984 1.00 0.25 H new ATOM 0 HB1 ALA A 84 9.487 -5.672 2.341 1.00 0.31 H new ATOM 0 HB2 ALA A 84 9.463 -7.428 2.626 1.00 0.31 H new ATOM 0 HB3 ALA A 84 9.487 -6.797 0.962 1.00 0.31 H new ATOM 1219 N VAL A 85 6.195 -4.693 1.605 1.00 0.22 N ATOM 1220 CA VAL A 85 5.481 -3.731 0.795 1.00 0.23 C ATOM 1221 C VAL A 85 6.027 -2.338 0.994 1.00 0.22 C ATOM 1222 O VAL A 85 5.752 -1.694 2.000 1.00 0.25 O ATOM 1223 CB VAL A 85 3.987 -3.706 1.127 1.00 0.26 C ATOM 1224 CG1 VAL A 85 3.209 -3.167 -0.059 1.00 0.50 C ATOM 1225 CG2 VAL A 85 3.498 -5.081 1.547 1.00 0.59 C ATOM 0 H VAL A 85 5.953 -4.681 2.596 1.00 0.22 H new ATOM 0 HA VAL A 85 5.618 -4.043 -0.240 1.00 0.23 H new ATOM 0 HB VAL A 85 3.821 -3.041 1.974 1.00 0.26 H new ATOM 0 HG11 VAL A 85 2.146 -3.150 0.180 1.00 0.50 H new ATOM 0 HG12 VAL A 85 3.546 -2.155 -0.286 1.00 0.50 H new ATOM 0 HG13 VAL A 85 3.376 -3.807 -0.925 1.00 0.50 H new ATOM 0 HG21 VAL A 85 2.434 -5.034 1.777 1.00 0.59 H new ATOM 0 HG22 VAL A 85 3.663 -5.789 0.735 1.00 0.59 H new ATOM 0 HG23 VAL A 85 4.046 -5.408 2.431 1.00 0.59 H new ATOM 1235 N ASN A 86 6.782 -1.880 0.020 1.00 0.22 N ATOM 1236 CA ASN A 86 7.388 -0.564 0.064 1.00 0.22 C ATOM 1237 C ASN A 86 6.785 0.324 -1.007 1.00 0.20 C ATOM 1238 O ASN A 86 7.104 0.217 -2.190 1.00 0.24 O ATOM 1239 CB ASN A 86 8.909 -0.680 -0.089 1.00 0.28 C ATOM 1240 CG ASN A 86 9.319 -1.722 -1.115 1.00 0.85 C ATOM 1241 OD1 ASN A 86 9.681 -1.401 -2.246 1.00 1.53 O ATOM 1242 ND2 ASN A 86 9.215 -2.988 -0.737 1.00 0.94 N ATOM 0 H ASN A 86 6.994 -2.408 -0.826 1.00 0.22 H new ATOM 0 HA ASN A 86 7.184 -0.104 1.031 1.00 0.22 H new ATOM 0 HB2 ASN A 86 9.315 0.289 -0.379 1.00 0.28 H new ATOM 0 HB3 ASN A 86 9.348 -0.934 0.876 1.00 0.28 H new ATOM 0 HD21 ASN A 86 9.439 -3.736 -1.393 1.00 0.94 H new ATOM 0 HD22 ASN A 86 8.911 -3.214 0.210 1.00 0.94 H new ATOM 1249 N LEU A 87 5.910 1.206 -0.565 1.00 0.18 N ATOM 1250 CA LEU A 87 5.160 2.071 -1.454 1.00 0.19 C ATOM 1251 C LEU A 87 5.703 3.488 -1.386 1.00 0.18 C ATOM 1252 O LEU A 87 5.833 4.054 -0.310 1.00 0.18 O ATOM 1253 CB LEU A 87 3.682 2.038 -1.070 1.00 0.20 C ATOM 1254 CG LEU A 87 3.012 0.674 -1.246 1.00 0.21 C ATOM 1255 CD1 LEU A 87 1.621 0.678 -0.648 1.00 0.24 C ATOM 1256 CD2 LEU A 87 2.946 0.311 -2.707 1.00 0.22 C ATOM 0 H LEU A 87 5.699 1.343 0.423 1.00 0.18 H new ATOM 0 HA LEU A 87 5.265 1.716 -2.479 1.00 0.19 H new ATOM 0 HB2 LEU A 87 3.583 2.346 -0.029 1.00 0.20 H new ATOM 0 HB3 LEU A 87 3.147 2.772 -1.672 1.00 0.20 H new ATOM 0 HG LEU A 87 3.610 -0.071 -0.722 1.00 0.21 H new ATOM 0 HD11 LEU A 87 1.163 -0.302 -0.785 1.00 0.24 H new ATOM 0 HD12 LEU A 87 1.683 0.904 0.416 1.00 0.24 H new ATOM 0 HD13 LEU A 87 1.014 1.435 -1.145 1.00 0.24 H new ATOM 0 HD21 LEU A 87 2.467 -0.662 -2.819 1.00 0.22 H new ATOM 0 HD22 LEU A 87 2.368 1.064 -3.243 1.00 0.22 H new ATOM 0 HD23 LEU A 87 3.955 0.268 -3.117 1.00 0.22 H new ATOM 1268 N THR A 88 5.977 4.061 -2.536 1.00 0.21 N ATOM 1269 CA THR A 88 6.656 5.334 -2.616 1.00 0.21 C ATOM 1270 C THR A 88 5.664 6.459 -2.890 1.00 0.21 C ATOM 1271 O THR A 88 4.977 6.479 -3.913 1.00 0.29 O ATOM 1272 CB THR A 88 7.724 5.307 -3.722 1.00 0.25 C ATOM 1273 OG1 THR A 88 8.456 4.085 -3.654 1.00 0.29 O ATOM 1274 CG2 THR A 88 8.690 6.467 -3.569 1.00 0.29 C ATOM 0 H THR A 88 5.736 3.658 -3.441 1.00 0.21 H new ATOM 0 HA THR A 88 7.140 5.517 -1.657 1.00 0.21 H new ATOM 0 HB THR A 88 7.219 5.390 -4.684 1.00 0.25 H new ATOM 0 HG1 THR A 88 7.997 3.399 -4.182 1.00 0.29 H new ATOM 0 HG21 THR A 88 9.436 6.426 -4.363 1.00 0.29 H new ATOM 0 HG22 THR A 88 8.143 7.407 -3.633 1.00 0.29 H new ATOM 0 HG23 THR A 88 9.186 6.402 -2.601 1.00 0.29 H new ATOM 1282 N TYR A 89 5.610 7.382 -1.952 1.00 0.24 N ATOM 1283 CA TYR A 89 4.690 8.501 -1.985 1.00 0.27 C ATOM 1284 C TYR A 89 5.324 9.660 -2.758 1.00 0.27 C ATOM 1285 O TYR A 89 5.907 10.565 -2.161 1.00 0.30 O ATOM 1286 CB TYR A 89 4.385 8.905 -0.535 1.00 0.37 C ATOM 1287 CG TYR A 89 3.170 9.771 -0.351 1.00 0.45 C ATOM 1288 CD1 TYR A 89 2.173 9.811 -1.299 1.00 0.68 C ATOM 1289 CD2 TYR A 89 3.020 10.542 0.788 1.00 1.00 C ATOM 1290 CE1 TYR A 89 1.059 10.604 -1.134 1.00 0.69 C ATOM 1291 CE2 TYR A 89 1.908 11.333 0.963 1.00 1.11 C ATOM 1292 CZ TYR A 89 0.929 11.361 -0.006 1.00 0.68 C ATOM 1293 OH TYR A 89 -0.176 12.169 0.146 1.00 0.80 O ATOM 0 H TYR A 89 6.215 7.376 -1.131 1.00 0.24 H new ATOM 0 HA TYR A 89 3.762 8.230 -2.489 1.00 0.27 H new ATOM 0 HB2 TYR A 89 4.258 7.999 0.058 1.00 0.37 H new ATOM 0 HB3 TYR A 89 5.250 9.431 -0.132 1.00 0.37 H new ATOM 0 HD1 TYR A 89 2.266 9.208 -2.190 1.00 0.68 H new ATOM 0 HD2 TYR A 89 3.786 10.523 1.549 1.00 1.00 H new ATOM 0 HE1 TYR A 89 0.292 10.627 -1.894 1.00 0.69 H new ATOM 0 HE2 TYR A 89 1.803 11.930 1.857 1.00 1.11 H new ATOM 0 HH TYR A 89 -0.762 11.795 0.837 1.00 0.80 H new ATOM 1303 N MET A 90 5.215 9.622 -4.085 1.00 0.29 N ATOM 1304 CA MET A 90 5.929 10.572 -4.943 1.00 0.34 C ATOM 1305 C MET A 90 4.981 11.436 -5.732 1.00 0.38 C ATOM 1306 O MET A 90 3.837 11.070 -5.954 1.00 0.47 O ATOM 1307 CB MET A 90 6.792 9.860 -5.971 1.00 0.37 C ATOM 1308 CG MET A 90 7.913 9.032 -5.407 1.00 0.36 C ATOM 1309 SD MET A 90 8.981 8.403 -6.715 1.00 0.65 S ATOM 1310 CE MET A 90 7.751 7.872 -7.914 1.00 0.54 C ATOM 0 H MET A 90 4.641 8.947 -4.590 1.00 0.29 H new ATOM 0 HA MET A 90 6.535 11.172 -4.264 1.00 0.34 H new ATOM 0 HB2 MET A 90 6.153 9.214 -6.573 1.00 0.37 H new ATOM 0 HB3 MET A 90 7.216 10.605 -6.644 1.00 0.37 H new ATOM 0 HG2 MET A 90 8.500 9.634 -4.713 1.00 0.36 H new ATOM 0 HG3 MET A 90 7.502 8.199 -4.837 1.00 0.36 H new ATOM 0 HE1 MET A 90 8.217 7.211 -8.645 1.00 0.54 H new ATOM 0 HE2 MET A 90 6.950 7.339 -7.402 1.00 0.54 H new ATOM 0 HE3 MET A 90 7.340 8.743 -8.423 1.00 0.54 H new ATOM 1320 N ARG A 91 5.483 12.580 -6.171 1.00 0.40 N ATOM 1321 CA ARG A 91 4.797 13.375 -7.172 1.00 0.49 C ATOM 1322 C ARG A 91 4.872 12.633 -8.501 1.00 0.58 C ATOM 1323 O ARG A 91 5.923 12.592 -9.120 1.00 0.65 O ATOM 1324 CB ARG A 91 5.450 14.757 -7.301 1.00 0.55 C ATOM 1325 CG ARG A 91 4.625 15.887 -6.709 1.00 0.67 C ATOM 1326 CD ARG A 91 5.344 17.228 -6.806 1.00 0.79 C ATOM 1327 NE ARG A 91 6.534 17.301 -5.950 1.00 1.37 N ATOM 1328 CZ ARG A 91 7.641 17.981 -6.267 1.00 1.71 C ATOM 1329 NH1 ARG A 91 7.719 18.618 -7.430 1.00 1.74 N ATOM 1330 NH2 ARG A 91 8.664 18.037 -5.416 1.00 2.59 N ATOM 0 H ARG A 91 6.365 12.977 -5.848 1.00 0.40 H new ATOM 0 HA ARG A 91 3.757 13.522 -6.880 1.00 0.49 H new ATOM 0 HB2 ARG A 91 6.423 14.735 -6.810 1.00 0.55 H new ATOM 0 HB3 ARG A 91 5.630 14.966 -8.356 1.00 0.55 H new ATOM 0 HG2 ARG A 91 3.669 15.949 -7.229 1.00 0.67 H new ATOM 0 HG3 ARG A 91 4.406 15.667 -5.664 1.00 0.67 H new ATOM 0 HD2 ARG A 91 5.636 17.404 -7.841 1.00 0.79 H new ATOM 0 HD3 ARG A 91 4.654 18.025 -6.529 1.00 0.79 H new ATOM 0 HE ARG A 91 6.516 16.803 -5.060 1.00 1.37 H new ATOM 0 HH11 ARG A 91 6.935 18.588 -8.081 1.00 1.74 H new ATOM 0 HH12 ARG A 91 8.563 19.137 -7.672 1.00 1.74 H new ATOM 0 HH21 ARG A 91 8.606 17.560 -4.517 1.00 2.59 H new ATOM 0 HH22 ARG A 91 9.506 18.557 -5.664 1.00 2.59 H new ATOM 1344 N PRO A 92 3.763 12.034 -8.946 1.00 0.67 N ATOM 1345 CA PRO A 92 3.738 11.131 -10.109 1.00 0.81 C ATOM 1346 C PRO A 92 4.403 11.698 -11.372 1.00 0.91 C ATOM 1347 O PRO A 92 4.886 10.943 -12.213 1.00 1.04 O ATOM 1348 CB PRO A 92 2.242 10.899 -10.361 1.00 0.92 C ATOM 1349 CG PRO A 92 1.527 11.896 -9.507 1.00 0.88 C ATOM 1350 CD PRO A 92 2.429 12.168 -8.348 1.00 0.72 C ATOM 0 HA PRO A 92 4.309 10.227 -9.895 1.00 0.81 H new ATOM 0 HB2 PRO A 92 1.996 11.038 -11.414 1.00 0.92 H new ATOM 0 HB3 PRO A 92 1.954 9.881 -10.098 1.00 0.92 H new ATOM 0 HG2 PRO A 92 1.321 12.810 -10.064 1.00 0.88 H new ATOM 0 HG3 PRO A 92 0.567 11.504 -9.171 1.00 0.88 H new ATOM 0 HD2 PRO A 92 2.268 13.163 -7.933 1.00 0.72 H new ATOM 0 HD3 PRO A 92 2.274 11.456 -7.537 1.00 0.72 H new ATOM 1358 N TRP A 93 4.429 13.020 -11.505 1.00 0.90 N ATOM 1359 CA TRP A 93 5.003 13.652 -12.691 1.00 1.03 C ATOM 1360 C TRP A 93 6.484 13.991 -12.506 1.00 1.03 C ATOM 1361 O TRP A 93 7.142 14.440 -13.442 1.00 1.17 O ATOM 1362 CB TRP A 93 4.211 14.908 -13.075 1.00 1.08 C ATOM 1363 CG TRP A 93 4.034 15.894 -11.959 1.00 0.98 C ATOM 1364 CD1 TRP A 93 4.826 16.971 -11.671 1.00 1.01 C ATOM 1365 CD2 TRP A 93 2.984 15.898 -10.985 1.00 0.93 C ATOM 1366 NE1 TRP A 93 4.335 17.634 -10.572 1.00 0.98 N ATOM 1367 CE2 TRP A 93 3.204 17.000 -10.137 1.00 0.94 C ATOM 1368 CE3 TRP A 93 1.878 15.079 -10.752 1.00 0.93 C ATOM 1369 CZ2 TRP A 93 2.361 17.296 -9.072 1.00 0.98 C ATOM 1370 CZ3 TRP A 93 1.044 15.372 -9.694 1.00 0.96 C ATOM 1371 CH2 TRP A 93 1.287 16.475 -8.865 1.00 0.99 C ATOM 0 H TRP A 93 4.062 13.672 -10.812 1.00 0.90 H new ATOM 0 HA TRP A 93 4.933 12.928 -13.503 1.00 1.03 H new ATOM 0 HB2 TRP A 93 4.717 15.403 -13.904 1.00 1.08 H new ATOM 0 HB3 TRP A 93 3.228 14.606 -13.436 1.00 1.08 H new ATOM 0 HD1 TRP A 93 5.707 17.258 -12.225 1.00 1.01 H new ATOM 0 HE1 TRP A 93 4.748 18.465 -10.149 1.00 0.98 H new ATOM 0 HE3 TRP A 93 1.679 14.230 -11.390 1.00 0.93 H new ATOM 0 HZ2 TRP A 93 2.548 18.145 -8.431 1.00 0.98 H new ATOM 0 HZ3 TRP A 93 0.189 14.741 -9.501 1.00 0.96 H new ATOM 0 HH2 TRP A 93 0.613 16.681 -8.047 1.00 0.99 H new ATOM 1382 N THR A 94 7.013 13.765 -11.309 1.00 0.91 N ATOM 1383 CA THR A 94 8.421 14.034 -11.041 1.00 0.95 C ATOM 1384 C THR A 94 8.893 13.298 -9.781 1.00 0.86 C ATOM 1385 O THR A 94 9.758 12.427 -9.863 1.00 1.07 O ATOM 1386 CB THR A 94 8.713 15.560 -10.947 1.00 0.98 C ATOM 1387 OG1 THR A 94 10.085 15.783 -10.602 1.00 1.09 O ATOM 1388 CG2 THR A 94 7.804 16.261 -9.942 1.00 0.85 C ATOM 0 H THR A 94 6.492 13.398 -10.513 1.00 0.91 H new ATOM 0 HA THR A 94 8.991 13.651 -11.887 1.00 0.95 H new ATOM 0 HB THR A 94 8.509 15.987 -11.929 1.00 0.98 H new ATOM 0 HG1 THR A 94 10.256 16.746 -10.548 1.00 1.09 H new ATOM 0 HG21 THR A 94 8.046 17.323 -9.912 1.00 0.85 H new ATOM 0 HG22 THR A 94 6.764 16.134 -10.242 1.00 0.85 H new ATOM 0 HG23 THR A 94 7.952 15.827 -8.953 1.00 0.85 H new ATOM 1396 N GLY A 95 8.306 13.636 -8.631 1.00 0.64 N ATOM 1397 CA GLY A 95 8.628 12.964 -7.380 1.00 0.60 C ATOM 1398 C GLY A 95 10.112 12.950 -7.082 1.00 0.70 C ATOM 1399 O GLY A 95 10.733 11.887 -7.101 1.00 1.16 O ATOM 0 H GLY A 95 7.605 14.372 -8.545 1.00 0.64 H new ATOM 0 HA2 GLY A 95 8.103 13.459 -6.563 1.00 0.60 H new ATOM 0 HA3 GLY A 95 8.261 11.938 -7.420 1.00 0.60 H new ATOM 1403 N PRO A 96 10.709 14.122 -6.826 1.00 0.64 N ATOM 1404 CA PRO A 96 12.127 14.228 -6.489 1.00 0.90 C ATOM 1405 C PRO A 96 12.527 13.275 -5.374 1.00 0.98 C ATOM 1406 O PRO A 96 11.882 13.222 -4.323 1.00 1.17 O ATOM 1407 CB PRO A 96 12.271 15.666 -6.033 1.00 1.02 C ATOM 1408 CG PRO A 96 11.204 16.396 -6.758 1.00 1.20 C ATOM 1409 CD PRO A 96 10.053 15.439 -6.844 1.00 0.97 C ATOM 0 HA PRO A 96 12.768 13.967 -7.331 1.00 0.90 H new ATOM 0 HB2 PRO A 96 12.148 15.754 -4.953 1.00 1.02 H new ATOM 0 HB3 PRO A 96 13.257 16.062 -6.275 1.00 1.02 H new ATOM 0 HG2 PRO A 96 10.920 17.305 -6.228 1.00 1.20 H new ATOM 0 HG3 PRO A 96 11.539 16.697 -7.750 1.00 1.20 H new ATOM 0 HD2 PRO A 96 9.367 15.558 -6.006 1.00 0.97 H new ATOM 0 HD3 PRO A 96 9.473 15.588 -7.755 1.00 0.97 H new ATOM 1417 N SER A 97 13.578 12.510 -5.621 1.00 1.20 N ATOM 1418 CA SER A 97 14.074 11.555 -4.653 1.00 1.48 C ATOM 1419 C SER A 97 14.427 12.275 -3.355 1.00 1.31 C ATOM 1420 O SER A 97 14.960 13.385 -3.387 1.00 1.86 O ATOM 1421 CB SER A 97 15.297 10.825 -5.221 1.00 2.04 C ATOM 1422 OG SER A 97 15.652 9.704 -4.428 1.00 2.64 O ATOM 0 H SER A 97 14.106 12.536 -6.493 1.00 1.20 H new ATOM 0 HA SER A 97 13.301 10.816 -4.441 1.00 1.48 H new ATOM 0 HB2 SER A 97 15.086 10.499 -6.239 1.00 2.04 H new ATOM 0 HB3 SER A 97 16.140 11.514 -5.275 1.00 2.04 H new ATOM 0 HG SER A 97 16.434 9.261 -4.819 1.00 2.64 H new ATOM 1428 N HIS A 98 14.082 11.650 -2.229 1.00 1.20 N ATOM 1429 CA HIS A 98 14.344 12.196 -0.892 1.00 1.22 C ATOM 1430 C HIS A 98 13.335 13.290 -0.522 1.00 0.98 C ATOM 1431 O HIS A 98 13.313 13.752 0.615 1.00 1.07 O ATOM 1432 CB HIS A 98 15.781 12.731 -0.757 1.00 1.58 C ATOM 1433 CG HIS A 98 16.845 11.702 -0.997 1.00 2.34 C ATOM 1434 ND1 HIS A 98 17.602 11.657 -2.148 1.00 3.02 N ATOM 1435 CD2 HIS A 98 17.290 10.685 -0.221 1.00 3.23 C ATOM 1436 CE1 HIS A 98 18.462 10.662 -2.071 1.00 3.95 C ATOM 1437 NE2 HIS A 98 18.298 10.054 -0.914 1.00 4.09 N ATOM 0 H HIS A 98 13.610 10.746 -2.216 1.00 1.20 H new ATOM 0 HA HIS A 98 14.227 11.368 -0.193 1.00 1.22 H new ATOM 0 HB2 HIS A 98 15.919 13.551 -1.461 1.00 1.58 H new ATOM 0 HB3 HIS A 98 15.910 13.145 0.243 1.00 1.58 H new ATOM 0 HD2 HIS A 98 16.922 10.419 0.759 1.00 3.23 H new ATOM 0 HE1 HIS A 98 19.181 10.390 -2.830 1.00 3.95 H new ATOM 0 HE2 HIS A 98 18.830 9.248 -0.586 1.00 4.09 H new ATOM 1446 N ASP A 99 12.502 13.705 -1.477 1.00 0.79 N ATOM 1447 CA ASP A 99 11.441 14.669 -1.188 1.00 0.79 C ATOM 1448 C ASP A 99 10.130 13.920 -1.007 1.00 0.77 C ATOM 1449 O ASP A 99 9.216 14.368 -0.312 1.00 1.35 O ATOM 1450 CB ASP A 99 11.322 15.704 -2.316 1.00 0.96 C ATOM 1451 CG ASP A 99 10.330 16.813 -2.004 1.00 1.18 C ATOM 1452 OD1 ASP A 99 10.342 17.326 -0.862 1.00 1.35 O ATOM 1453 OD2 ASP A 99 9.555 17.200 -2.909 1.00 1.67 O ATOM 0 H ASP A 99 12.540 13.393 -2.447 1.00 0.79 H new ATOM 0 HA ASP A 99 11.682 15.207 -0.271 1.00 0.79 H new ATOM 0 HB2 ASP A 99 12.302 16.143 -2.503 1.00 0.96 H new ATOM 0 HB3 ASP A 99 11.018 15.200 -3.233 1.00 0.96 H new ATOM 1458 N SER A 100 10.067 12.757 -1.632 1.00 0.51 N ATOM 1459 CA SER A 100 8.919 11.878 -1.542 1.00 0.45 C ATOM 1460 C SER A 100 8.962 11.054 -0.253 1.00 0.46 C ATOM 1461 O SER A 100 10.000 10.947 0.397 1.00 0.69 O ATOM 1462 CB SER A 100 8.922 10.960 -2.759 1.00 0.55 C ATOM 1463 OG SER A 100 10.226 10.457 -3.011 1.00 1.39 O ATOM 0 H SER A 100 10.818 12.395 -2.220 1.00 0.51 H new ATOM 0 HA SER A 100 8.005 12.471 -1.522 1.00 0.45 H new ATOM 0 HB2 SER A 100 8.233 10.131 -2.596 1.00 0.55 H new ATOM 0 HB3 SER A 100 8.563 11.505 -3.632 1.00 0.55 H new ATOM 0 HG SER A 100 10.391 10.445 -3.977 1.00 1.39 H new ATOM 1469 N GLU A 101 7.825 10.479 0.109 1.00 0.35 N ATOM 1470 CA GLU A 101 7.724 9.623 1.286 1.00 0.40 C ATOM 1471 C GLU A 101 7.688 8.160 0.829 1.00 0.40 C ATOM 1472 O GLU A 101 7.629 7.897 -0.371 1.00 0.68 O ATOM 1473 CB GLU A 101 6.456 10.003 2.072 1.00 0.46 C ATOM 1474 CG GLU A 101 6.198 9.184 3.328 1.00 0.62 C ATOM 1475 CD GLU A 101 7.296 9.311 4.362 1.00 1.06 C ATOM 1476 OE1 GLU A 101 7.259 10.272 5.159 1.00 1.19 O ATOM 1477 OE2 GLU A 101 8.217 8.466 4.367 1.00 1.91 O ATOM 0 H GLU A 101 6.949 10.591 -0.401 1.00 0.35 H new ATOM 0 HA GLU A 101 8.584 9.756 1.943 1.00 0.40 H new ATOM 0 HB2 GLU A 101 6.524 11.054 2.352 1.00 0.46 H new ATOM 0 HB3 GLU A 101 5.595 9.904 1.411 1.00 0.46 H new ATOM 0 HG2 GLU A 101 5.253 9.499 3.771 1.00 0.62 H new ATOM 0 HG3 GLU A 101 6.087 8.135 3.053 1.00 0.62 H new ATOM 1484 N ARG A 102 7.753 7.212 1.754 1.00 0.22 N ATOM 1485 CA ARG A 102 7.600 5.811 1.396 1.00 0.18 C ATOM 1486 C ARG A 102 7.128 4.993 2.591 1.00 0.17 C ATOM 1487 O ARG A 102 7.555 5.199 3.728 1.00 0.20 O ATOM 1488 CB ARG A 102 8.910 5.236 0.818 1.00 0.23 C ATOM 1489 CG ARG A 102 8.731 3.902 0.096 1.00 0.26 C ATOM 1490 CD ARG A 102 9.964 3.508 -0.705 1.00 0.36 C ATOM 1491 NE ARG A 102 9.663 2.480 -1.717 1.00 0.37 N ATOM 1492 CZ ARG A 102 10.569 1.968 -2.554 1.00 0.44 C ATOM 1493 NH1 ARG A 102 11.849 2.311 -2.451 1.00 0.62 N ATOM 1494 NH2 ARG A 102 10.192 1.101 -3.486 1.00 0.52 N ATOM 0 H ARG A 102 7.909 7.386 2.747 1.00 0.22 H new ATOM 0 HA ARG A 102 6.838 5.747 0.620 1.00 0.18 H new ATOM 0 HB2 ARG A 102 9.339 5.959 0.124 1.00 0.23 H new ATOM 0 HB3 ARG A 102 9.628 5.107 1.628 1.00 0.23 H new ATOM 0 HG2 ARG A 102 8.511 3.123 0.826 1.00 0.26 H new ATOM 0 HG3 ARG A 102 7.872 3.965 -0.572 1.00 0.26 H new ATOM 0 HD2 ARG A 102 10.374 4.391 -1.196 1.00 0.36 H new ATOM 0 HD3 ARG A 102 10.732 3.135 -0.027 1.00 0.36 H new ATOM 0 HE ARG A 102 8.704 2.139 -1.782 1.00 0.37 H new ATOM 0 HH11 ARG A 102 12.144 2.969 -1.730 1.00 0.62 H new ATOM 0 HH12 ARG A 102 12.536 1.916 -3.093 1.00 0.62 H new ATOM 0 HH21 ARG A 102 9.212 0.827 -3.562 1.00 0.52 H new ATOM 0 HH22 ARG A 102 10.882 0.709 -4.126 1.00 0.52 H new ATOM 1508 N PHE A 103 6.230 4.075 2.297 1.00 0.15 N ATOM 1509 CA PHE A 103 5.641 3.187 3.278 1.00 0.17 C ATOM 1510 C PHE A 103 6.270 1.815 3.144 1.00 0.18 C ATOM 1511 O PHE A 103 6.791 1.483 2.081 1.00 0.21 O ATOM 1512 CB PHE A 103 4.122 3.135 3.041 1.00 0.18 C ATOM 1513 CG PHE A 103 3.478 1.818 3.317 1.00 0.35 C ATOM 1514 CD1 PHE A 103 3.462 0.829 2.350 1.00 0.51 C ATOM 1515 CD2 PHE A 103 2.889 1.569 4.538 1.00 0.55 C ATOM 1516 CE1 PHE A 103 2.874 -0.385 2.601 1.00 0.75 C ATOM 1517 CE2 PHE A 103 2.298 0.357 4.794 1.00 0.78 C ATOM 1518 CZ PHE A 103 2.291 -0.621 3.824 1.00 0.86 C ATOM 0 H PHE A 103 5.882 3.922 1.350 1.00 0.15 H new ATOM 0 HA PHE A 103 5.823 3.546 4.291 1.00 0.17 H new ATOM 0 HB2 PHE A 103 3.647 3.891 3.666 1.00 0.18 H new ATOM 0 HB3 PHE A 103 3.923 3.408 2.005 1.00 0.18 H new ATOM 0 HD1 PHE A 103 3.917 1.014 1.388 1.00 0.51 H new ATOM 0 HD2 PHE A 103 2.893 2.334 5.300 1.00 0.55 H new ATOM 0 HE1 PHE A 103 2.869 -1.152 1.841 1.00 0.75 H new ATOM 0 HE2 PHE A 103 1.839 0.170 5.754 1.00 0.78 H new ATOM 0 HZ PHE A 103 1.827 -1.575 4.024 1.00 0.86 H new ATOM 1528 N THR A 104 6.237 1.018 4.204 1.00 0.17 N ATOM 1529 CA THR A 104 6.826 -0.304 4.156 1.00 0.19 C ATOM 1530 C THR A 104 6.268 -1.192 5.256 1.00 0.17 C ATOM 1531 O THR A 104 6.638 -1.058 6.423 1.00 0.18 O ATOM 1532 CB THR A 104 8.365 -0.259 4.288 1.00 0.24 C ATOM 1533 OG1 THR A 104 8.945 0.513 3.226 1.00 0.31 O ATOM 1534 CG2 THR A 104 8.947 -1.663 4.275 1.00 0.26 C ATOM 0 H THR A 104 5.812 1.265 5.098 1.00 0.17 H new ATOM 0 HA THR A 104 6.569 -0.718 3.181 1.00 0.19 H new ATOM 0 HB THR A 104 8.604 0.215 5.240 1.00 0.24 H new ATOM 0 HG1 THR A 104 8.272 0.672 2.532 1.00 0.31 H new ATOM 0 HG21 THR A 104 10.032 -1.608 4.369 1.00 0.26 H new ATOM 0 HG22 THR A 104 8.539 -2.234 5.109 1.00 0.26 H new ATOM 0 HG23 THR A 104 8.689 -2.155 3.338 1.00 0.26 H new ATOM 1542 N VAL A 105 5.373 -2.092 4.890 1.00 0.17 N ATOM 1543 CA VAL A 105 4.947 -3.116 5.817 1.00 0.17 C ATOM 1544 C VAL A 105 5.599 -4.442 5.473 1.00 0.21 C ATOM 1545 O VAL A 105 5.716 -4.812 4.301 1.00 0.25 O ATOM 1546 CB VAL A 105 3.416 -3.292 5.844 1.00 0.20 C ATOM 1547 CG1 VAL A 105 2.893 -3.718 4.490 1.00 0.79 C ATOM 1548 CG2 VAL A 105 3.010 -4.301 6.908 1.00 0.88 C ATOM 0 H VAL A 105 4.934 -2.133 3.970 1.00 0.17 H new ATOM 0 HA VAL A 105 5.260 -2.790 6.809 1.00 0.17 H new ATOM 0 HB VAL A 105 2.974 -2.327 6.092 1.00 0.20 H new ATOM 0 HG11 VAL A 105 1.810 -3.835 4.538 1.00 0.79 H new ATOM 0 HG12 VAL A 105 3.143 -2.960 3.748 1.00 0.79 H new ATOM 0 HG13 VAL A 105 3.348 -4.667 4.206 1.00 0.79 H new ATOM 0 HG21 VAL A 105 1.926 -4.411 6.911 1.00 0.88 H new ATOM 0 HG22 VAL A 105 3.472 -5.264 6.691 1.00 0.88 H new ATOM 0 HG23 VAL A 105 3.342 -3.952 7.886 1.00 0.88 H new ATOM 1558 N TYR A 106 6.044 -5.134 6.494 1.00 0.24 N ATOM 1559 CA TYR A 106 6.594 -6.458 6.336 1.00 0.28 C ATOM 1560 C TYR A 106 5.590 -7.474 6.832 1.00 0.27 C ATOM 1561 O TYR A 106 5.343 -7.584 8.032 1.00 0.36 O ATOM 1562 CB TYR A 106 7.903 -6.608 7.103 1.00 0.38 C ATOM 1563 CG TYR A 106 9.036 -5.773 6.565 1.00 0.43 C ATOM 1564 CD1 TYR A 106 9.790 -6.211 5.485 1.00 0.48 C ATOM 1565 CD2 TYR A 106 9.355 -4.549 7.137 1.00 0.49 C ATOM 1566 CE1 TYR A 106 10.830 -5.452 4.987 1.00 0.56 C ATOM 1567 CE2 TYR A 106 10.393 -3.784 6.646 1.00 0.57 C ATOM 1568 CZ TYR A 106 11.127 -4.241 5.570 1.00 0.58 C ATOM 1569 OH TYR A 106 12.159 -3.479 5.075 1.00 0.70 O ATOM 0 H TYR A 106 6.035 -4.796 7.456 1.00 0.24 H new ATOM 0 HA TYR A 106 6.804 -6.624 5.279 1.00 0.28 H new ATOM 0 HB2 TYR A 106 7.732 -6.340 8.146 1.00 0.38 H new ATOM 0 HB3 TYR A 106 8.201 -7.656 7.088 1.00 0.38 H new ATOM 0 HD1 TYR A 106 9.559 -7.161 5.027 1.00 0.48 H new ATOM 0 HD2 TYR A 106 8.782 -4.190 7.979 1.00 0.49 H new ATOM 0 HE1 TYR A 106 11.407 -5.806 4.145 1.00 0.56 H new ATOM 0 HE2 TYR A 106 10.630 -2.833 7.101 1.00 0.57 H new ATOM 0 HH TYR A 106 12.236 -2.654 5.598 1.00 0.70 H new ATOM 1579 N LEU A 107 4.991 -8.191 5.912 1.00 0.26 N ATOM 1580 CA LEU A 107 3.982 -9.166 6.257 1.00 0.29 C ATOM 1581 C LEU A 107 4.295 -10.483 5.568 1.00 0.31 C ATOM 1582 O LEU A 107 4.827 -10.498 4.464 1.00 0.45 O ATOM 1583 CB LEU A 107 2.601 -8.637 5.859 1.00 0.39 C ATOM 1584 CG LEU A 107 2.360 -8.495 4.355 1.00 1.33 C ATOM 1585 CD1 LEU A 107 1.560 -9.670 3.815 1.00 2.12 C ATOM 1586 CD2 LEU A 107 1.659 -7.188 4.053 1.00 2.02 C ATOM 0 H LEU A 107 5.185 -8.118 4.913 1.00 0.26 H new ATOM 0 HA LEU A 107 3.979 -9.339 7.333 1.00 0.29 H new ATOM 0 HB2 LEU A 107 1.843 -9.304 6.270 1.00 0.39 H new ATOM 0 HB3 LEU A 107 2.455 -7.663 6.326 1.00 0.39 H new ATOM 0 HG LEU A 107 3.329 -8.493 3.856 1.00 1.33 H new ATOM 0 HD11 LEU A 107 1.404 -9.542 2.744 1.00 2.12 H new ATOM 0 HD12 LEU A 107 2.107 -10.596 3.994 1.00 2.12 H new ATOM 0 HD13 LEU A 107 0.595 -9.716 4.319 1.00 2.12 H new ATOM 0 HD21 LEU A 107 1.495 -7.103 2.979 1.00 2.02 H new ATOM 0 HD22 LEU A 107 0.700 -7.162 4.570 1.00 2.02 H new ATOM 0 HD23 LEU A 107 2.277 -6.357 4.393 1.00 2.02 H new ATOM 1598 N LYS A 108 3.983 -11.585 6.213 1.00 0.25 N ATOM 1599 CA LYS A 108 4.310 -12.884 5.656 1.00 0.26 C ATOM 1600 C LYS A 108 3.076 -13.545 5.077 1.00 0.24 C ATOM 1601 O LYS A 108 2.186 -13.945 5.818 1.00 0.29 O ATOM 1602 CB LYS A 108 4.922 -13.774 6.726 1.00 0.32 C ATOM 1603 CG LYS A 108 5.464 -15.065 6.161 1.00 0.45 C ATOM 1604 CD LYS A 108 6.877 -15.331 6.654 1.00 0.76 C ATOM 1605 CE LYS A 108 7.464 -16.593 6.043 1.00 1.34 C ATOM 1606 NZ LYS A 108 7.525 -16.515 4.559 1.00 1.89 N ATOM 0 H LYS A 108 3.508 -11.612 7.115 1.00 0.25 H new ATOM 0 HA LYS A 108 5.034 -12.740 4.854 1.00 0.26 H new ATOM 0 HB2 LYS A 108 5.726 -13.234 7.227 1.00 0.32 H new ATOM 0 HB3 LYS A 108 4.169 -13.999 7.482 1.00 0.32 H new ATOM 0 HG2 LYS A 108 4.814 -15.892 6.448 1.00 0.45 H new ATOM 0 HG3 LYS A 108 5.459 -15.019 5.072 1.00 0.45 H new ATOM 0 HD2 LYS A 108 7.513 -14.480 6.409 1.00 0.76 H new ATOM 0 HD3 LYS A 108 6.871 -15.423 7.740 1.00 0.76 H new ATOM 0 HE2 LYS A 108 8.466 -16.756 6.439 1.00 1.34 H new ATOM 0 HE3 LYS A 108 6.862 -17.453 6.337 1.00 1.34 H new ATOM 0 HZ1 LYS A 108 8.227 -17.196 4.204 1.00 1.89 H new ATOM 0 HZ2 LYS A 108 6.591 -16.741 4.161 1.00 1.89 H new ATOM 0 HZ3 LYS A 108 7.800 -15.554 4.273 1.00 1.89 H new ATOM 1620 N ALA A 109 3.072 -13.735 3.763 1.00 0.24 N ATOM 1621 CA ALA A 109 1.867 -14.134 3.048 1.00 0.28 C ATOM 1622 C ALA A 109 1.893 -15.626 2.758 1.00 0.34 C ATOM 1623 O ALA A 109 2.903 -16.159 2.297 1.00 0.53 O ATOM 1624 CB ALA A 109 1.745 -13.336 1.748 1.00 0.37 C ATOM 0 H ALA A 109 3.893 -13.618 3.170 1.00 0.24 H new ATOM 0 HA ALA A 109 0.999 -13.923 3.672 1.00 0.28 H new ATOM 0 HB1 ALA A 109 0.842 -13.639 1.218 1.00 0.37 H new ATOM 0 HB2 ALA A 109 1.691 -12.272 1.978 1.00 0.37 H new ATOM 0 HB3 ALA A 109 2.615 -13.528 1.120 1.00 0.37 H new ATOM 1630 N ASN A 110 0.784 -16.294 3.055 1.00 0.41 N ATOM 1631 CA ASN A 110 0.689 -17.750 2.918 1.00 0.54 C ATOM 1632 C ASN A 110 -0.661 -18.241 3.427 1.00 0.95 C ATOM 1633 O ASN A 110 -1.282 -17.532 4.246 1.00 1.35 O ATOM 1634 CB ASN A 110 1.812 -18.460 3.687 1.00 0.56 C ATOM 1635 CG ASN A 110 1.682 -18.325 5.196 1.00 0.80 C ATOM 1636 OD1 ASN A 110 1.119 -19.191 5.863 1.00 1.58 O ATOM 1637 ND2 ASN A 110 2.199 -17.237 5.745 1.00 0.56 N ATOM 1638 OXT ASN A 110 -1.096 -19.332 3.008 1.00 1.78 O ATOM 0 H ASN A 110 -0.069 -15.850 3.395 1.00 0.41 H new ATOM 0 HA ASN A 110 0.791 -17.988 1.859 1.00 0.54 H new ATOM 0 HB2 ASN A 110 1.813 -19.517 3.422 1.00 0.56 H new ATOM 0 HB3 ASN A 110 2.773 -18.052 3.373 1.00 0.56 H new ATOM 0 HD21 ASN A 110 2.137 -17.096 6.753 1.00 0.56 H new ATOM 0 HD22 ASN A 110 2.659 -16.540 5.160 1.00 0.56 H new TER 1645 ASN A 110