USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 818 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 111 SER OG : rot 37:sc= 0.835 USER MOD Set 1.2: A 116 ASN : amide:sc= -0.0809 X(o=0.75,f=0.61) USER MOD Set 2.1: A 70 SER OG : rot -44:sc= 0.218 USER MOD Set 2.2: A 96 THR OG1 : rot -123:sc= 2.72 USER MOD Set 3.1: A 83 GLN : amide:sc= -2.04! C(o=-4.3!,f=-9.6!) USER MOD Set 3.2: A 94 THR OG1 : rot -140:sc= -2.27! USER MOD Set 4.1: A 63 ASN : amide:sc= 0 X(o=-0.14,f=-0.63) USER MOD Set 4.2: A 67 LYS NZ :NH3+ -151:sc= -0.138 (180deg=-1.41) USER MOD Set 5.1: A 53 LYS NZ :NH3+ -158:sc= -2.11! (180deg=-5.42!) USER MOD Set 5.2: A 54 ASN : amide:sc= 0.543 K(o=-3.1,f=-14!) USER MOD Set 5.3: A 64 SER OG : rot 136:sc= -1.57! USER MOD Set 6.1: A 33 GLN : amide:sc= -0.46 K(o=-0.46,f=-5.2!) USER MOD Set 6.2: A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.871 X(o=-0.87,f=-1.2) USER MOD Single : A 9 ASN : amide:sc= -0.06 K(o=-0.06,f=-1.4!) USER MOD Single : A 12 LYS NZ :NH3+ 151:sc= -0.501 (180deg=-1.59!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.32 K(o=-1.3,f=0) USER MOD Single : A 17 SER OG : rot -79:sc= 1.21 USER MOD Single : A 19 HIS : no HD1:sc= -0.648 X(o=-0.65,f=-0.64) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 28 SER OG : rot 79:sc= 1.25 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.4!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.535 USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.035) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -152:sc= -3.85 (180deg=-6.14!) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0768 USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0608) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -156:sc= -0.0673 (180deg=-0.447) USER MOD Single : A 72 ASN : amide:sc= -0.0458 K(o=-0.046,f=-0.72) USER MOD Single : A 73 SER OG : rot 80:sc= -0.156 USER MOD Single : A 74 SER OG : rot -55:sc= 0.412 USER MOD Single : A 75 THR OG1 : rot -159:sc= 0.00971 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -40:sc= -0.299 USER MOD Single : A 82 HIS : no HE2:sc= -1.66 K(o=-1.7,f=-3.2) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.304 K(o=-0.3,f=-4!) USER MOD Single : A 89 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.54) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 91:sc= -0.772 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0125 K(o=-0.012,f=-1) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 90:sc= -2.03! USER MOD Single : A 107 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.214 X(o=0.21,f=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= 0.159 K(o=0.16,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 6 -20.233 -7.407 -6.667 1.00 1.47 N ATOM 2 CA HIS A 6 -19.847 -6.284 -7.561 1.00 1.07 C ATOM 3 C HIS A 6 -18.477 -5.737 -7.175 1.00 0.90 C ATOM 4 O HIS A 6 -17.522 -5.827 -7.949 1.00 0.88 O ATOM 5 CB HIS A 6 -20.882 -5.154 -7.502 1.00 1.31 C ATOM 6 CG HIS A 6 -22.176 -5.471 -8.182 1.00 1.89 C ATOM 7 ND1 HIS A 6 -23.353 -5.688 -7.499 1.00 2.36 N ATOM 8 CD2 HIS A 6 -22.479 -5.586 -9.495 1.00 2.83 C ATOM 9 CE1 HIS A 6 -24.322 -5.925 -8.364 1.00 3.15 C ATOM 10 NE2 HIS A 6 -23.820 -5.867 -9.582 1.00 3.43 N ATOM 0 HA HIS A 6 -19.806 -6.672 -8.579 1.00 1.07 H new ATOM 0 HB2 HIS A 6 -21.083 -4.914 -6.458 1.00 1.31 H new ATOM 0 HB3 HIS A 6 -20.454 -4.261 -7.958 1.00 1.31 H new ATOM 0 HD2 HIS A 6 -21.793 -5.477 -10.322 1.00 2.83 H new ATOM 0 HE1 HIS A 6 -25.353 -6.132 -8.116 1.00 3.15 H new ATOM 0 HE2 HIS A 6 -24.342 -6.008 -10.447 1.00 3.43 H new ATOM 21 N GLN A 7 -18.381 -5.182 -5.969 1.00 0.86 N ATOM 22 CA GLN A 7 -17.125 -4.625 -5.472 1.00 0.74 C ATOM 23 C GLN A 7 -16.042 -5.678 -5.404 1.00 0.69 C ATOM 24 O GLN A 7 -14.863 -5.363 -5.439 1.00 0.64 O ATOM 25 CB GLN A 7 -17.318 -4.027 -4.089 1.00 0.85 C ATOM 26 CG GLN A 7 -16.025 -3.704 -3.347 1.00 0.75 C ATOM 27 CD GLN A 7 -16.301 -2.936 -2.076 1.00 1.15 C ATOM 28 OE1 GLN A 7 -16.296 -1.706 -2.072 1.00 1.96 O ATOM 29 NE2 GLN A 7 -16.579 -3.650 -1.000 1.00 1.70 N ATOM 0 H GLN A 7 -19.161 -5.106 -5.316 1.00 0.86 H new ATOM 0 HA GLN A 7 -16.818 -3.848 -6.171 1.00 0.74 H new ATOM 0 HB2 GLN A 7 -17.905 -3.113 -4.182 1.00 0.85 H new ATOM 0 HB3 GLN A 7 -17.903 -4.722 -3.486 1.00 0.85 H new ATOM 0 HG2 GLN A 7 -15.499 -4.628 -3.109 1.00 0.75 H new ATOM 0 HG3 GLN A 7 -15.369 -3.120 -3.992 1.00 0.75 H new ATOM 0 HE21 GLN A 7 -16.572 -4.669 -1.048 1.00 1.70 H new ATOM 0 HE22 GLN A 7 -16.801 -3.182 -0.121 1.00 1.70 H new ATOM 38 N ASP A 8 -16.439 -6.928 -5.302 1.00 0.78 N ATOM 39 CA ASP A 8 -15.480 -8.008 -5.217 1.00 0.84 C ATOM 40 C ASP A 8 -14.576 -8.023 -6.442 1.00 0.77 C ATOM 41 O ASP A 8 -13.424 -8.443 -6.368 1.00 0.84 O ATOM 42 CB ASP A 8 -16.187 -9.347 -5.047 1.00 1.01 C ATOM 43 CG ASP A 8 -17.075 -9.704 -6.223 1.00 1.83 C ATOM 44 OD1 ASP A 8 -16.783 -10.707 -6.914 1.00 1.78 O ATOM 45 OD2 ASP A 8 -18.066 -8.982 -6.466 1.00 2.81 O ATOM 0 H ASP A 8 -17.416 -7.221 -5.276 1.00 0.78 H new ATOM 0 HA ASP A 8 -14.857 -7.842 -4.338 1.00 0.84 H new ATOM 0 HB2 ASP A 8 -15.441 -10.130 -4.912 1.00 1.01 H new ATOM 0 HB3 ASP A 8 -16.790 -9.320 -4.139 1.00 1.01 H new ATOM 50 N ASN A 9 -15.097 -7.556 -7.563 1.00 0.72 N ATOM 51 CA ASN A 9 -14.280 -7.357 -8.749 1.00 0.70 C ATOM 52 C ASN A 9 -13.647 -5.980 -8.725 1.00 0.55 C ATOM 53 O ASN A 9 -12.499 -5.797 -9.129 1.00 0.53 O ATOM 54 CB ASN A 9 -15.109 -7.501 -10.019 1.00 0.80 C ATOM 55 CG ASN A 9 -15.421 -8.946 -10.355 1.00 1.28 C ATOM 56 OD1 ASN A 9 -14.660 -9.852 -10.017 1.00 2.04 O ATOM 57 ND2 ASN A 9 -16.533 -9.174 -11.033 1.00 1.78 N ATOM 0 H ASN A 9 -16.080 -7.308 -7.678 1.00 0.72 H new ATOM 0 HA ASN A 9 -13.503 -8.121 -8.747 1.00 0.70 H new ATOM 0 HB2 ASN A 9 -16.042 -6.950 -9.903 1.00 0.80 H new ATOM 0 HB3 ASN A 9 -14.572 -7.047 -10.852 1.00 0.80 H new ATOM 0 HD21 ASN A 9 -16.785 -10.127 -11.294 1.00 1.78 H new ATOM 0 HD22 ASN A 9 -17.139 -8.396 -11.295 1.00 1.78 H new ATOM 64 N ALA A 10 -14.407 -5.014 -8.230 1.00 0.51 N ATOM 65 CA ALA A 10 -13.969 -3.628 -8.220 1.00 0.45 C ATOM 66 C ALA A 10 -12.747 -3.448 -7.367 1.00 0.38 C ATOM 67 O ALA A 10 -11.768 -2.886 -7.814 1.00 0.35 O ATOM 68 CB ALA A 10 -15.045 -2.713 -7.696 1.00 0.49 C ATOM 0 H ALA A 10 -15.332 -5.166 -7.829 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.740 -3.371 -9.254 1.00 0.45 H new ATOM 0 HB1 ALA A 10 -14.683 -1.685 -7.703 1.00 0.49 H new ATOM 0 HB2 ALA A 10 -15.929 -2.791 -8.329 1.00 0.49 H new ATOM 0 HB3 ALA A 10 -15.303 -3.001 -6.677 1.00 0.49 H new ATOM 74 N ARG A 11 -12.829 -3.930 -6.135 1.00 0.41 N ATOM 75 CA ARG A 11 -11.758 -3.778 -5.165 1.00 0.44 C ATOM 76 C ARG A 11 -10.451 -4.212 -5.780 1.00 0.35 C ATOM 77 O ARG A 11 -9.450 -3.512 -5.691 1.00 0.41 O ATOM 78 CB ARG A 11 -12.037 -4.612 -3.924 1.00 0.54 C ATOM 79 CG ARG A 11 -12.153 -6.097 -4.223 1.00 1.44 C ATOM 80 CD ARG A 11 -12.778 -6.852 -3.085 1.00 1.95 C ATOM 81 NE ARG A 11 -12.688 -8.300 -3.290 1.00 2.91 N ATOM 82 CZ ARG A 11 -13.188 -9.210 -2.453 1.00 3.53 C ATOM 83 NH1 ARG A 11 -13.804 -8.828 -1.344 1.00 3.46 N ATOM 84 NH2 ARG A 11 -13.065 -10.502 -2.723 1.00 4.41 N ATOM 0 H ARG A 11 -13.640 -4.437 -5.781 1.00 0.41 H new ATOM 0 HA ARG A 11 -11.698 -2.729 -4.876 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -11.238 -4.454 -3.199 1.00 0.54 H new ATOM 0 HB3 ARG A 11 -12.961 -4.267 -3.461 1.00 0.54 H new ATOM 0 HG2 ARG A 11 -12.749 -6.240 -5.124 1.00 1.44 H new ATOM 0 HG3 ARG A 11 -11.163 -6.504 -4.428 1.00 1.44 H new ATOM 0 HD2 ARG A 11 -12.282 -6.584 -2.152 1.00 1.95 H new ATOM 0 HD3 ARG A 11 -13.824 -6.562 -2.985 1.00 1.95 H new ATOM 0 HE ARG A 11 -12.212 -8.634 -4.128 1.00 2.91 H new ATOM 0 HH11 ARG A 11 -13.897 -7.835 -1.128 1.00 3.46 H new ATOM 0 HH12 ARG A 11 -14.185 -9.526 -0.706 1.00 3.46 H new ATOM 0 HH21 ARG A 11 -12.587 -10.802 -3.573 1.00 4.41 H new ATOM 0 HH22 ARG A 11 -13.448 -11.196 -2.081 1.00 4.41 H new ATOM 98 N LYS A 12 -10.485 -5.374 -6.410 1.00 0.28 N ATOM 99 CA LYS A 12 -9.363 -5.850 -7.182 1.00 0.27 C ATOM 100 C LYS A 12 -8.844 -4.745 -8.078 1.00 0.23 C ATOM 101 O LYS A 12 -7.723 -4.309 -7.918 1.00 0.37 O ATOM 102 CB LYS A 12 -9.744 -7.057 -8.035 1.00 0.37 C ATOM 103 CG LYS A 12 -8.630 -7.479 -8.981 1.00 0.49 C ATOM 104 CD LYS A 12 -8.727 -8.932 -9.389 1.00 0.94 C ATOM 105 CE LYS A 12 -8.036 -9.826 -8.373 1.00 0.88 C ATOM 106 NZ LYS A 12 -8.888 -10.109 -7.189 1.00 1.56 N ATOM 0 H LYS A 12 -11.286 -6.005 -6.398 1.00 0.28 H new ATOM 0 HA LYS A 12 -8.585 -6.156 -6.482 1.00 0.27 H new ATOM 0 HB2 LYS A 12 -9.998 -7.893 -7.383 1.00 0.37 H new ATOM 0 HB3 LYS A 12 -10.637 -6.821 -8.613 1.00 0.37 H new ATOM 0 HG2 LYS A 12 -8.660 -6.853 -9.873 1.00 0.49 H new ATOM 0 HG3 LYS A 12 -7.667 -7.304 -8.502 1.00 0.49 H new ATOM 0 HD2 LYS A 12 -9.774 -9.220 -9.480 1.00 0.94 H new ATOM 0 HD3 LYS A 12 -8.272 -9.070 -10.370 1.00 0.94 H new ATOM 0 HE2 LYS A 12 -7.760 -10.766 -8.850 1.00 0.88 H new ATOM 0 HE3 LYS A 12 -7.111 -9.351 -8.046 1.00 0.88 H new ATOM 0 HZ1 LYS A 12 -8.636 -11.037 -6.794 1.00 1.56 H new ATOM 0 HZ2 LYS A 12 -8.737 -9.374 -6.469 1.00 1.56 H new ATOM 0 HZ3 LYS A 12 -9.888 -10.114 -7.474 1.00 1.56 H new ATOM 120 N SER A 13 -9.694 -4.249 -8.959 1.00 0.21 N ATOM 121 CA SER A 13 -9.266 -3.322 -9.993 1.00 0.24 C ATOM 122 C SER A 13 -8.929 -1.944 -9.420 1.00 0.24 C ATOM 123 O SER A 13 -7.861 -1.390 -9.695 1.00 0.28 O ATOM 124 CB SER A 13 -10.367 -3.210 -11.043 1.00 0.30 C ATOM 125 OG SER A 13 -10.607 -4.461 -11.663 1.00 0.90 O ATOM 0 H SER A 13 -10.689 -4.473 -8.979 1.00 0.21 H new ATOM 0 HA SER A 13 -8.354 -3.707 -10.449 1.00 0.24 H new ATOM 0 HB2 SER A 13 -11.284 -2.850 -10.577 1.00 0.30 H new ATOM 0 HB3 SER A 13 -10.083 -2.475 -11.796 1.00 0.30 H new ATOM 0 HG SER A 13 -11.318 -4.364 -12.331 1.00 0.90 H new ATOM 131 N ARG A 14 -9.835 -1.410 -8.610 1.00 0.25 N ATOM 132 CA ARG A 14 -9.684 -0.076 -8.045 1.00 0.30 C ATOM 133 C ARG A 14 -8.436 0.016 -7.187 1.00 0.24 C ATOM 134 O ARG A 14 -7.768 1.051 -7.154 1.00 0.30 O ATOM 135 CB ARG A 14 -10.920 0.315 -7.219 1.00 0.37 C ATOM 136 CG ARG A 14 -11.198 -0.615 -6.051 1.00 0.36 C ATOM 137 CD ARG A 14 -11.034 0.054 -4.694 1.00 0.52 C ATOM 138 NE ARG A 14 -11.500 1.445 -4.675 1.00 1.14 N ATOM 139 CZ ARG A 14 -12.036 2.036 -3.609 1.00 1.41 C ATOM 140 NH1 ARG A 14 -12.262 1.343 -2.499 1.00 1.66 N ATOM 141 NH2 ARG A 14 -12.361 3.321 -3.654 1.00 2.05 N ATOM 0 H ARG A 14 -10.691 -1.887 -8.328 1.00 0.25 H new ATOM 0 HA ARG A 14 -9.585 0.622 -8.876 1.00 0.30 H new ATOM 0 HB2 ARG A 14 -10.786 1.328 -6.840 1.00 0.37 H new ATOM 0 HB3 ARG A 14 -11.792 0.332 -7.873 1.00 0.37 H new ATOM 0 HG2 ARG A 14 -12.214 -1.001 -6.137 1.00 0.36 H new ATOM 0 HG3 ARG A 14 -10.526 -1.471 -6.110 1.00 0.36 H new ATOM 0 HD2 ARG A 14 -11.584 -0.517 -3.946 1.00 0.52 H new ATOM 0 HD3 ARG A 14 -9.983 0.026 -4.407 1.00 0.52 H new ATOM 0 HE ARG A 14 -11.408 1.993 -5.531 1.00 1.14 H new ATOM 0 HH11 ARG A 14 -12.025 0.352 -2.459 1.00 1.66 H new ATOM 0 HH12 ARG A 14 -12.673 1.802 -1.686 1.00 1.66 H new ATOM 0 HH21 ARG A 14 -12.200 3.858 -4.506 1.00 2.05 H new ATOM 0 HH22 ARG A 14 -12.772 3.772 -2.836 1.00 2.05 H new ATOM 155 N ILE A 15 -8.110 -1.063 -6.495 1.00 0.17 N ATOM 156 CA ILE A 15 -6.931 -1.075 -5.684 1.00 0.15 C ATOM 157 C ILE A 15 -5.729 -1.390 -6.541 1.00 0.13 C ATOM 158 O ILE A 15 -4.739 -0.691 -6.476 1.00 0.13 O ATOM 159 CB ILE A 15 -7.020 -2.109 -4.569 1.00 0.19 C ATOM 160 CG1 ILE A 15 -8.205 -1.797 -3.652 1.00 0.26 C ATOM 161 CG2 ILE A 15 -5.722 -2.109 -3.781 1.00 0.21 C ATOM 162 CD1 ILE A 15 -8.514 -2.888 -2.657 1.00 0.34 C ATOM 0 H ILE A 15 -8.648 -1.929 -6.486 1.00 0.17 H new ATOM 0 HA ILE A 15 -6.834 -0.088 -5.232 1.00 0.15 H new ATOM 0 HB ILE A 15 -7.176 -3.097 -5.001 1.00 0.19 H new ATOM 0 HG12 ILE A 15 -7.999 -0.873 -3.111 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -9.088 -1.617 -4.265 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -5.782 -2.848 -2.982 1.00 0.21 H new ATOM 0 HG22 ILE A 15 -4.894 -2.358 -4.444 1.00 0.21 H new ATOM 0 HG23 ILE A 15 -5.558 -1.121 -3.350 1.00 0.21 H new ATOM 0 HD11 ILE A 15 -9.366 -2.591 -2.045 1.00 0.34 H new ATOM 0 HD12 ILE A 15 -8.753 -3.809 -3.189 1.00 0.34 H new ATOM 0 HD13 ILE A 15 -7.647 -3.053 -2.017 1.00 0.34 H new ATOM 174 N GLN A 16 -5.847 -2.448 -7.343 1.00 0.15 N ATOM 175 CA GLN A 16 -4.790 -2.898 -8.246 1.00 0.20 C ATOM 176 C GLN A 16 -4.168 -1.742 -9.006 1.00 0.21 C ATOM 177 O GLN A 16 -2.941 -1.626 -9.070 1.00 0.24 O ATOM 178 CB GLN A 16 -5.375 -3.876 -9.242 1.00 0.25 C ATOM 179 CG GLN A 16 -4.832 -5.287 -9.134 1.00 0.40 C ATOM 180 CD GLN A 16 -5.284 -6.172 -10.280 1.00 1.08 C ATOM 181 OE1 GLN A 16 -4.600 -7.124 -10.658 1.00 1.85 O ATOM 182 NE2 GLN A 16 -6.437 -5.862 -10.848 1.00 1.71 N ATOM 0 H GLN A 16 -6.689 -3.022 -7.384 1.00 0.15 H new ATOM 0 HA GLN A 16 -4.012 -3.369 -7.645 1.00 0.20 H new ATOM 0 HB2 GLN A 16 -6.457 -3.906 -9.110 1.00 0.25 H new ATOM 0 HB3 GLN A 16 -5.187 -3.505 -10.249 1.00 0.25 H new ATOM 0 HG2 GLN A 16 -3.743 -5.253 -9.113 1.00 0.40 H new ATOM 0 HG3 GLN A 16 -5.156 -5.726 -8.190 1.00 0.40 H new ATOM 0 HE21 GLN A 16 -6.976 -5.066 -10.507 1.00 1.71 H new ATOM 0 HE22 GLN A 16 -6.788 -6.419 -11.627 1.00 1.71 H new ATOM 191 N SER A 17 -5.031 -0.895 -9.563 1.00 0.23 N ATOM 192 CA SER A 17 -4.603 0.263 -10.328 1.00 0.28 C ATOM 193 C SER A 17 -3.557 1.054 -9.561 1.00 0.25 C ATOM 194 O SER A 17 -2.456 1.304 -10.055 1.00 0.34 O ATOM 195 CB SER A 17 -5.818 1.145 -10.639 1.00 0.33 C ATOM 196 OG SER A 17 -5.447 2.326 -11.331 1.00 1.04 O ATOM 0 H SER A 17 -6.044 -0.996 -9.494 1.00 0.23 H new ATOM 0 HA SER A 17 -4.154 -0.074 -11.262 1.00 0.28 H new ATOM 0 HB2 SER A 17 -6.533 0.581 -11.239 1.00 0.33 H new ATOM 0 HB3 SER A 17 -6.322 1.411 -9.710 1.00 0.33 H new ATOM 0 HG SER A 17 -5.088 2.979 -10.695 1.00 1.04 H new ATOM 202 N GLU A 18 -3.897 1.419 -8.339 1.00 0.19 N ATOM 203 CA GLU A 18 -3.023 2.237 -7.529 1.00 0.20 C ATOM 204 C GLU A 18 -2.027 1.374 -6.761 1.00 0.16 C ATOM 205 O GLU A 18 -0.970 1.841 -6.376 1.00 0.17 O ATOM 206 CB GLU A 18 -3.842 3.088 -6.581 1.00 0.28 C ATOM 207 CG GLU A 18 -5.131 3.597 -7.192 1.00 0.37 C ATOM 208 CD GLU A 18 -4.936 4.518 -8.382 1.00 1.43 C ATOM 209 OE1 GLU A 18 -4.464 4.038 -9.427 1.00 2.36 O ATOM 210 OE2 GLU A 18 -5.250 5.724 -8.288 1.00 1.76 O ATOM 0 H GLU A 18 -4.774 1.160 -7.888 1.00 0.19 H new ATOM 0 HA GLU A 18 -2.454 2.895 -8.186 1.00 0.20 H new ATOM 0 HB2 GLU A 18 -4.076 2.505 -5.691 1.00 0.28 H new ATOM 0 HB3 GLU A 18 -3.242 3.938 -6.256 1.00 0.28 H new ATOM 0 HG2 GLU A 18 -5.734 2.744 -7.503 1.00 0.37 H new ATOM 0 HG3 GLU A 18 -5.698 4.127 -6.426 1.00 0.37 H new ATOM 217 N HIS A 19 -2.385 0.113 -6.534 1.00 0.15 N ATOM 218 CA HIS A 19 -1.504 -0.853 -5.889 1.00 0.14 C ATOM 219 C HIS A 19 -0.147 -0.810 -6.555 1.00 0.13 C ATOM 220 O HIS A 19 0.844 -0.601 -5.880 1.00 0.13 O ATOM 221 CB HIS A 19 -2.141 -2.269 -5.918 1.00 0.15 C ATOM 222 CG HIS A 19 -1.185 -3.419 -6.079 1.00 0.21 C ATOM 223 ND1 HIS A 19 -0.287 -3.819 -5.109 1.00 0.26 N ATOM 224 CD2 HIS A 19 -1.014 -4.269 -7.115 1.00 0.29 C ATOM 225 CE1 HIS A 19 0.394 -4.862 -5.551 1.00 0.35 C ATOM 226 NE2 HIS A 19 -0.030 -5.152 -6.762 1.00 0.36 N ATOM 0 H HIS A 19 -3.295 -0.267 -6.793 1.00 0.15 H new ATOM 0 HA HIS A 19 -1.368 -0.596 -4.839 1.00 0.14 H new ATOM 0 HB2 HIS A 19 -2.699 -2.413 -4.993 1.00 0.15 H new ATOM 0 HB3 HIS A 19 -2.862 -2.305 -6.735 1.00 0.15 H new ATOM 0 HD2 HIS A 19 -1.555 -4.254 -8.050 1.00 0.29 H new ATOM 0 HE1 HIS A 19 1.167 -5.387 -5.010 1.00 0.35 H new ATOM 0 HE2 HIS A 19 0.319 -5.913 -7.345 1.00 0.36 H new ATOM 235 N ARG A 20 -0.127 -0.928 -7.877 1.00 0.14 N ATOM 236 CA ARG A 20 1.113 -0.842 -8.643 1.00 0.14 C ATOM 237 C ARG A 20 1.856 0.454 -8.315 1.00 0.12 C ATOM 238 O ARG A 20 3.076 0.452 -8.136 1.00 0.15 O ATOM 239 CB ARG A 20 0.798 -0.914 -10.141 1.00 0.19 C ATOM 240 CG ARG A 20 0.071 -2.190 -10.542 1.00 0.25 C ATOM 241 CD ARG A 20 0.991 -3.171 -11.256 1.00 0.90 C ATOM 242 NE ARG A 20 2.253 -3.377 -10.543 1.00 2.11 N ATOM 243 CZ ARG A 20 2.685 -4.557 -10.097 1.00 2.93 C ATOM 244 NH1 ARG A 20 1.925 -5.640 -10.214 1.00 2.80 N ATOM 245 NH2 ARG A 20 3.877 -4.646 -9.520 1.00 4.14 N ATOM 0 H ARG A 20 -0.960 -1.084 -8.445 1.00 0.14 H new ATOM 0 HA ARG A 20 1.756 -1.680 -8.374 1.00 0.14 H new ATOM 0 HB2 ARG A 20 0.189 -0.054 -10.419 1.00 0.19 H new ATOM 0 HB3 ARG A 20 1.728 -0.841 -10.705 1.00 0.19 H new ATOM 0 HG2 ARG A 20 -0.345 -2.665 -9.653 1.00 0.25 H new ATOM 0 HG3 ARG A 20 -0.767 -1.940 -11.192 1.00 0.25 H new ATOM 0 HD2 ARG A 20 0.480 -4.127 -11.368 1.00 0.90 H new ATOM 0 HD3 ARG A 20 1.201 -2.802 -12.260 1.00 0.90 H new ATOM 0 HE ARG A 20 2.842 -2.562 -10.376 1.00 2.11 H new ATOM 0 HH11 ARG A 20 1.004 -5.572 -10.647 1.00 2.80 H new ATOM 0 HH12 ARG A 20 2.262 -6.539 -9.870 1.00 2.80 H new ATOM 0 HH21 ARG A 20 4.458 -3.814 -9.419 1.00 4.14 H new ATOM 0 HH22 ARG A 20 4.212 -5.546 -9.177 1.00 4.14 H new ATOM 259 N GLU A 21 1.102 1.543 -8.207 1.00 0.14 N ATOM 260 CA GLU A 21 1.650 2.850 -7.858 1.00 0.14 C ATOM 261 C GLU A 21 2.324 2.816 -6.487 1.00 0.11 C ATOM 262 O GLU A 21 3.476 3.221 -6.349 1.00 0.13 O ATOM 263 CB GLU A 21 0.528 3.897 -7.841 1.00 0.20 C ATOM 264 CG GLU A 21 -0.388 3.854 -9.052 1.00 0.33 C ATOM 265 CD GLU A 21 0.334 4.146 -10.353 1.00 0.52 C ATOM 266 OE1 GLU A 21 1.330 4.896 -10.325 1.00 0.98 O ATOM 267 OE2 GLU A 21 -0.082 3.622 -11.406 1.00 0.82 O ATOM 0 H GLU A 21 0.093 1.545 -8.359 1.00 0.14 H new ATOM 0 HA GLU A 21 2.396 3.114 -8.608 1.00 0.14 H new ATOM 0 HB2 GLU A 21 -0.072 3.755 -6.942 1.00 0.20 H new ATOM 0 HB3 GLU A 21 0.974 4.889 -7.773 1.00 0.20 H new ATOM 0 HG2 GLU A 21 -0.853 2.870 -9.114 1.00 0.33 H new ATOM 0 HG3 GLU A 21 -1.192 4.578 -8.919 1.00 0.33 H new ATOM 274 N LEU A 22 1.602 2.330 -5.478 1.00 0.10 N ATOM 275 CA LEU A 22 2.111 2.324 -4.107 1.00 0.09 C ATOM 276 C LEU A 22 3.412 1.549 -3.991 1.00 0.09 C ATOM 277 O LEU A 22 4.319 1.953 -3.271 1.00 0.12 O ATOM 278 CB LEU A 22 1.094 1.746 -3.112 1.00 0.10 C ATOM 279 CG LEU A 22 -0.024 2.690 -2.677 1.00 0.15 C ATOM 280 CD1 LEU A 22 0.517 4.098 -2.500 1.00 0.18 C ATOM 281 CD2 LEU A 22 -1.166 2.673 -3.664 1.00 0.22 C ATOM 0 H LEU A 22 0.667 1.937 -5.583 1.00 0.10 H new ATOM 0 HA LEU A 22 2.293 3.369 -3.855 1.00 0.09 H new ATOM 0 HB2 LEU A 22 0.642 0.860 -3.558 1.00 0.10 H new ATOM 0 HB3 LEU A 22 1.632 1.417 -2.223 1.00 0.10 H new ATOM 0 HG LEU A 22 -0.411 2.343 -1.719 1.00 0.15 H new ATOM 0 HD11 LEU A 22 -0.290 4.762 -2.190 1.00 0.18 H new ATOM 0 HD12 LEU A 22 1.297 4.095 -1.739 1.00 0.18 H new ATOM 0 HD13 LEU A 22 0.933 4.449 -3.444 1.00 0.18 H new ATOM 0 HD21 LEU A 22 -1.947 3.355 -3.328 1.00 0.22 H new ATOM 0 HD22 LEU A 22 -0.805 2.989 -4.643 1.00 0.22 H new ATOM 0 HD23 LEU A 22 -1.571 1.663 -3.735 1.00 0.22 H new ATOM 293 N VAL A 23 3.514 0.433 -4.689 1.00 0.08 N ATOM 294 CA VAL A 23 4.714 -0.366 -4.599 1.00 0.09 C ATOM 295 C VAL A 23 5.820 0.228 -5.458 1.00 0.11 C ATOM 296 O VAL A 23 6.997 0.138 -5.110 1.00 0.12 O ATOM 297 CB VAL A 23 4.470 -1.845 -4.942 1.00 0.11 C ATOM 298 CG1 VAL A 23 3.017 -2.132 -5.278 1.00 0.13 C ATOM 299 CG2 VAL A 23 5.371 -2.294 -6.061 1.00 0.12 C ATOM 0 H VAL A 23 2.794 0.067 -5.312 1.00 0.08 H new ATOM 0 HA VAL A 23 5.035 -0.344 -3.558 1.00 0.09 H new ATOM 0 HB VAL A 23 4.711 -2.418 -4.047 1.00 0.11 H new ATOM 0 HG11 VAL A 23 2.900 -3.190 -5.512 1.00 0.13 H new ATOM 0 HG12 VAL A 23 2.389 -1.878 -4.424 1.00 0.13 H new ATOM 0 HG13 VAL A 23 2.718 -1.534 -6.139 1.00 0.13 H new ATOM 0 HG21 VAL A 23 5.179 -3.343 -6.284 1.00 0.12 H new ATOM 0 HG22 VAL A 23 5.176 -1.692 -6.949 1.00 0.12 H new ATOM 0 HG23 VAL A 23 6.412 -2.172 -5.761 1.00 0.12 H new ATOM 309 N SER A 24 5.439 0.855 -6.565 1.00 0.12 N ATOM 310 CA SER A 24 6.376 1.647 -7.345 1.00 0.15 C ATOM 311 C SER A 24 6.970 2.721 -6.443 1.00 0.13 C ATOM 312 O SER A 24 8.130 3.118 -6.580 1.00 0.15 O ATOM 313 CB SER A 24 5.660 2.290 -8.535 1.00 0.19 C ATOM 314 OG SER A 24 6.562 3.001 -9.364 1.00 0.74 O ATOM 0 H SER A 24 4.491 0.829 -6.940 1.00 0.12 H new ATOM 0 HA SER A 24 7.171 1.009 -7.731 1.00 0.15 H new ATOM 0 HB2 SER A 24 5.159 1.518 -9.119 1.00 0.19 H new ATOM 0 HB3 SER A 24 4.887 2.967 -8.172 1.00 0.19 H new ATOM 0 HG SER A 24 6.073 3.398 -10.115 1.00 0.74 H new ATOM 320 N ALA A 25 6.160 3.150 -5.485 1.00 0.10 N ATOM 321 CA ALA A 25 6.580 4.141 -4.511 1.00 0.09 C ATOM 322 C ALA A 25 7.427 3.498 -3.433 1.00 0.08 C ATOM 323 O ALA A 25 8.355 4.117 -2.931 1.00 0.08 O ATOM 324 CB ALA A 25 5.385 4.816 -3.881 1.00 0.12 C ATOM 0 H ALA A 25 5.202 2.823 -5.363 1.00 0.10 H new ATOM 0 HA ALA A 25 7.173 4.892 -5.032 1.00 0.09 H new ATOM 0 HB1 ALA A 25 5.725 5.554 -3.155 1.00 0.12 H new ATOM 0 HB2 ALA A 25 4.797 5.311 -4.654 1.00 0.12 H new ATOM 0 HB3 ALA A 25 4.769 4.070 -3.379 1.00 0.12 H new ATOM 330 N ILE A 26 7.102 2.259 -3.062 1.00 0.08 N ATOM 331 CA ILE A 26 7.913 1.534 -2.107 1.00 0.08 C ATOM 332 C ILE A 26 9.322 1.381 -2.644 1.00 0.09 C ATOM 333 O ILE A 26 10.294 1.671 -1.956 1.00 0.12 O ATOM 334 CB ILE A 26 7.312 0.148 -1.746 1.00 0.11 C ATOM 335 CG1 ILE A 26 6.546 0.256 -0.443 1.00 0.18 C ATOM 336 CG2 ILE A 26 8.384 -0.923 -1.613 1.00 0.15 C ATOM 337 CD1 ILE A 26 6.121 -1.081 0.096 1.00 0.20 C ATOM 0 H ILE A 26 6.290 1.748 -3.409 1.00 0.08 H new ATOM 0 HA ILE A 26 7.934 2.115 -1.185 1.00 0.08 H new ATOM 0 HB ILE A 26 6.647 -0.147 -2.558 1.00 0.11 H new ATOM 0 HG12 ILE A 26 7.167 0.760 0.297 1.00 0.18 H new ATOM 0 HG13 ILE A 26 5.664 0.878 -0.596 1.00 0.18 H new ATOM 0 HG21 ILE A 26 7.918 -1.875 -1.360 1.00 0.15 H new ATOM 0 HG22 ILE A 26 8.920 -1.021 -2.557 1.00 0.15 H new ATOM 0 HG23 ILE A 26 9.084 -0.641 -0.826 1.00 0.15 H new ATOM 0 HD11 ILE A 26 5.577 -0.941 1.030 1.00 0.20 H new ATOM 0 HD12 ILE A 26 5.476 -1.577 -0.629 1.00 0.20 H new ATOM 0 HD13 ILE A 26 7.002 -1.696 0.278 1.00 0.20 H new ATOM 349 N GLN A 27 9.413 0.966 -3.897 1.00 0.09 N ATOM 350 CA GLN A 27 10.693 0.801 -4.560 1.00 0.11 C ATOM 351 C GLN A 27 11.441 2.134 -4.606 1.00 0.13 C ATOM 352 O GLN A 27 12.670 2.182 -4.543 1.00 0.17 O ATOM 353 CB GLN A 27 10.464 0.247 -5.965 1.00 0.11 C ATOM 354 CG GLN A 27 9.727 -1.079 -5.963 1.00 0.13 C ATOM 355 CD GLN A 27 9.530 -1.648 -7.355 1.00 0.19 C ATOM 356 OE1 GLN A 27 8.525 -1.380 -8.016 1.00 0.99 O ATOM 357 NE2 GLN A 27 10.487 -2.434 -7.811 1.00 1.25 N ATOM 0 H GLN A 27 8.607 0.736 -4.478 1.00 0.09 H new ATOM 0 HA GLN A 27 11.308 0.095 -4.002 1.00 0.11 H new ATOM 0 HB2 GLN A 27 9.896 0.972 -6.548 1.00 0.11 H new ATOM 0 HB3 GLN A 27 11.426 0.122 -6.462 1.00 0.11 H new ATOM 0 HG2 GLN A 27 10.282 -1.796 -5.358 1.00 0.13 H new ATOM 0 HG3 GLN A 27 8.754 -0.947 -5.489 1.00 0.13 H new ATOM 0 HE21 GLN A 27 11.304 -2.632 -7.233 1.00 1.25 H new ATOM 0 HE22 GLN A 27 10.410 -2.844 -8.742 1.00 1.25 H new ATOM 366 N SER A 28 10.676 3.213 -4.689 1.00 0.13 N ATOM 367 CA SER A 28 11.215 4.561 -4.675 1.00 0.16 C ATOM 368 C SER A 28 11.680 4.956 -3.263 1.00 0.18 C ATOM 369 O SER A 28 12.836 5.332 -3.067 1.00 0.22 O ATOM 370 CB SER A 28 10.138 5.517 -5.182 1.00 0.16 C ATOM 371 OG SER A 28 9.825 5.265 -6.542 1.00 0.68 O ATOM 0 H SER A 28 9.660 3.176 -4.768 1.00 0.13 H new ATOM 0 HA SER A 28 12.088 4.612 -5.325 1.00 0.16 H new ATOM 0 HB2 SER A 28 9.239 5.411 -4.574 1.00 0.16 H new ATOM 0 HB3 SER A 28 10.480 6.546 -5.070 1.00 0.16 H new ATOM 0 HG SER A 28 9.231 4.488 -6.602 1.00 0.68 H new ATOM 377 N TYR A 29 10.765 4.863 -2.295 1.00 0.16 N ATOM 378 CA TYR A 29 11.049 5.136 -0.883 1.00 0.19 C ATOM 379 C TYR A 29 12.263 4.342 -0.419 1.00 0.24 C ATOM 380 O TYR A 29 13.230 4.900 0.092 1.00 0.28 O ATOM 381 CB TYR A 29 9.818 4.741 -0.052 1.00 0.15 C ATOM 382 CG TYR A 29 9.855 5.069 1.439 1.00 0.17 C ATOM 383 CD1 TYR A 29 8.682 4.996 2.180 1.00 0.17 C ATOM 384 CD2 TYR A 29 11.027 5.416 2.113 1.00 0.24 C ATOM 385 CE1 TYR A 29 8.664 5.257 3.536 1.00 0.22 C ATOM 386 CE2 TYR A 29 11.012 5.682 3.469 1.00 0.27 C ATOM 387 CZ TYR A 29 9.831 5.598 4.176 1.00 0.22 C ATOM 388 OH TYR A 29 9.819 5.857 5.527 1.00 0.32 O ATOM 0 H TYR A 29 9.797 4.594 -2.470 1.00 0.16 H new ATOM 0 HA TYR A 29 11.266 6.196 -0.753 1.00 0.19 H new ATOM 0 HB2 TYR A 29 8.946 5.230 -0.485 1.00 0.15 H new ATOM 0 HB3 TYR A 29 9.667 3.667 -0.159 1.00 0.15 H new ATOM 0 HD1 TYR A 29 7.761 4.728 1.683 1.00 0.17 H new ATOM 0 HD2 TYR A 29 11.957 5.477 1.568 1.00 0.24 H new ATOM 0 HE1 TYR A 29 7.739 5.193 4.090 1.00 0.22 H new ATOM 0 HE2 TYR A 29 11.926 5.956 3.975 1.00 0.27 H new ATOM 0 HH TYR A 29 10.725 6.082 5.825 1.00 0.32 H new ATOM 398 N ILE A 30 12.198 3.039 -0.612 1.00 0.25 N ATOM 399 CA ILE A 30 13.235 2.135 -0.162 1.00 0.32 C ATOM 400 C ILE A 30 14.565 2.419 -0.845 1.00 0.38 C ATOM 401 O ILE A 30 15.611 2.403 -0.203 1.00 0.44 O ATOM 402 CB ILE A 30 12.801 0.684 -0.403 1.00 0.30 C ATOM 403 CG1 ILE A 30 11.563 0.399 0.452 1.00 0.28 C ATOM 404 CG2 ILE A 30 13.933 -0.282 -0.104 1.00 0.40 C ATOM 405 CD1 ILE A 30 11.058 -1.016 0.370 1.00 0.29 C ATOM 0 H ILE A 30 11.422 2.578 -1.087 1.00 0.25 H new ATOM 0 HA ILE A 30 13.381 2.292 0.907 1.00 0.32 H new ATOM 0 HB ILE A 30 12.547 0.542 -1.453 1.00 0.30 H new ATOM 0 HG12 ILE A 30 11.795 0.628 1.492 1.00 0.28 H new ATOM 0 HG13 ILE A 30 10.764 1.074 0.147 1.00 0.28 H new ATOM 0 HG21 ILE A 30 13.597 -1.303 -0.284 1.00 0.40 H new ATOM 0 HG22 ILE A 30 14.781 -0.060 -0.752 1.00 0.40 H new ATOM 0 HG23 ILE A 30 14.235 -0.177 0.938 1.00 0.40 H new ATOM 0 HD11 ILE A 30 10.180 -1.127 1.007 1.00 0.29 H new ATOM 0 HD12 ILE A 30 10.790 -1.248 -0.661 1.00 0.29 H new ATOM 0 HD13 ILE A 30 11.837 -1.700 0.705 1.00 0.29 H new ATOM 417 N GLY A 31 14.515 2.724 -2.134 1.00 0.38 N ATOM 418 CA GLY A 31 15.728 3.039 -2.860 1.00 0.47 C ATOM 419 C GLY A 31 16.295 4.378 -2.438 1.00 0.50 C ATOM 420 O GLY A 31 17.456 4.690 -2.699 1.00 0.57 O ATOM 0 H GLY A 31 13.659 2.759 -2.688 1.00 0.38 H new ATOM 0 HA2 GLY A 31 16.469 2.258 -2.688 1.00 0.47 H new ATOM 0 HA3 GLY A 31 15.520 3.052 -3.930 1.00 0.47 H new ATOM 424 N ALA A 32 15.457 5.166 -1.781 1.00 0.48 N ATOM 425 CA ALA A 32 15.851 6.463 -1.265 1.00 0.51 C ATOM 426 C ALA A 32 16.391 6.343 0.146 1.00 0.54 C ATOM 427 O ALA A 32 17.200 7.163 0.579 1.00 0.60 O ATOM 428 CB ALA A 32 14.665 7.404 -1.265 1.00 0.46 C ATOM 0 H ALA A 32 14.485 4.922 -1.592 1.00 0.48 H new ATOM 0 HA ALA A 32 16.635 6.858 -1.911 1.00 0.51 H new ATOM 0 HB1 ALA A 32 14.971 8.375 -0.876 1.00 0.46 H new ATOM 0 HB2 ALA A 32 14.294 7.522 -2.283 1.00 0.46 H new ATOM 0 HB3 ALA A 32 13.875 6.994 -0.636 1.00 0.46 H new ATOM 434 N GLN A 33 15.934 5.322 0.862 1.00 0.50 N ATOM 435 CA GLN A 33 16.301 5.145 2.248 1.00 0.53 C ATOM 436 C GLN A 33 17.803 5.000 2.418 1.00 0.65 C ATOM 437 O GLN A 33 18.517 4.605 1.493 1.00 0.70 O ATOM 438 CB GLN A 33 15.635 3.919 2.834 1.00 0.50 C ATOM 439 CG GLN A 33 14.157 4.101 3.093 1.00 0.42 C ATOM 440 CD GLN A 33 13.837 4.316 4.564 1.00 0.44 C ATOM 441 OE1 GLN A 33 12.791 3.898 5.055 1.00 1.04 O ATOM 442 NE2 GLN A 33 14.720 4.990 5.274 1.00 1.19 N ATOM 0 H GLN A 33 15.307 4.605 0.497 1.00 0.50 H new ATOM 0 HA GLN A 33 15.964 6.039 2.773 1.00 0.53 H new ATOM 0 HB2 GLN A 33 15.776 3.079 2.154 1.00 0.50 H new ATOM 0 HB3 GLN A 33 16.130 3.658 3.769 1.00 0.50 H new ATOM 0 HG2 GLN A 33 13.795 4.954 2.519 1.00 0.42 H new ATOM 0 HG3 GLN A 33 13.619 3.224 2.734 1.00 0.42 H new ATOM 0 HE21 GLN A 33 15.579 5.323 4.836 1.00 1.19 H new ATOM 0 HE22 GLN A 33 14.544 5.178 6.261 1.00 1.19 H new ATOM 451 N ASP A 34 18.264 5.305 3.616 1.00 0.72 N ATOM 452 CA ASP A 34 19.649 5.075 3.985 1.00 0.85 C ATOM 453 C ASP A 34 19.913 3.588 4.016 1.00 0.88 C ATOM 454 O ASP A 34 21.006 3.114 3.718 1.00 0.99 O ATOM 455 CB ASP A 34 19.920 5.685 5.346 1.00 0.90 C ATOM 456 CG ASP A 34 21.400 5.764 5.667 1.00 1.06 C ATOM 457 OD1 ASP A 34 21.889 4.924 6.453 1.00 1.14 O ATOM 458 OD2 ASP A 34 22.080 6.668 5.140 1.00 1.22 O ATOM 0 H ASP A 34 17.695 5.716 4.356 1.00 0.72 H new ATOM 0 HA ASP A 34 20.310 5.541 3.254 1.00 0.85 H new ATOM 0 HB2 ASP A 34 19.490 6.686 5.383 1.00 0.90 H new ATOM 0 HB3 ASP A 34 19.417 5.094 6.111 1.00 0.90 H new ATOM 463 N ASP A 35 18.877 2.865 4.382 1.00 0.82 N ATOM 464 CA ASP A 35 18.873 1.425 4.329 1.00 0.89 C ATOM 465 C ASP A 35 17.757 0.930 3.433 1.00 0.80 C ATOM 466 O ASP A 35 16.616 0.802 3.853 1.00 0.77 O ATOM 467 CB ASP A 35 18.727 0.798 5.713 1.00 0.99 C ATOM 468 CG ASP A 35 17.884 1.614 6.683 1.00 1.60 C ATOM 469 OD1 ASP A 35 16.864 2.187 6.237 1.00 2.19 O ATOM 470 OD2 ASP A 35 18.204 1.668 7.890 1.00 1.95 O ATOM 0 H ASP A 35 18.006 3.268 4.728 1.00 0.82 H new ATOM 0 HA ASP A 35 19.837 1.121 3.920 1.00 0.89 H new ATOM 0 HB2 ASP A 35 18.282 -0.191 5.606 1.00 0.99 H new ATOM 0 HB3 ASP A 35 19.719 0.657 6.142 1.00 0.99 H new ATOM 475 N PRO A 36 18.077 0.651 2.173 1.00 0.79 N ATOM 476 CA PRO A 36 17.157 -0.008 1.251 1.00 0.72 C ATOM 477 C PRO A 36 17.105 -1.483 1.549 1.00 0.77 C ATOM 478 O PRO A 36 16.413 -2.259 0.901 1.00 0.77 O ATOM 479 CB PRO A 36 17.818 0.228 -0.092 1.00 0.73 C ATOM 480 CG PRO A 36 19.263 0.193 0.242 1.00 0.84 C ATOM 481 CD PRO A 36 19.359 0.962 1.523 1.00 0.85 C ATOM 0 HA PRO A 36 16.133 0.362 1.307 1.00 0.72 H new ATOM 0 HB2 PRO A 36 17.551 -0.543 -0.815 1.00 0.73 H new ATOM 0 HB3 PRO A 36 17.526 1.185 -0.524 1.00 0.73 H new ATOM 0 HG2 PRO A 36 19.620 -0.830 0.363 1.00 0.84 H new ATOM 0 HG3 PRO A 36 19.865 0.650 -0.543 1.00 0.84 H new ATOM 0 HD2 PRO A 36 20.209 0.642 2.126 1.00 0.85 H new ATOM 0 HD3 PRO A 36 19.477 2.031 1.347 1.00 0.85 H new ATOM 489 N THR A 37 17.892 -1.842 2.525 1.00 0.84 N ATOM 490 CA THR A 37 18.039 -3.204 2.951 1.00 0.90 C ATOM 491 C THR A 37 17.025 -3.535 4.028 1.00 0.89 C ATOM 492 O THR A 37 16.559 -4.670 4.145 1.00 0.91 O ATOM 493 CB THR A 37 19.465 -3.408 3.486 1.00 1.03 C ATOM 494 OG1 THR A 37 19.613 -2.728 4.739 1.00 1.07 O ATOM 495 CG2 THR A 37 20.479 -2.835 2.511 1.00 1.06 C ATOM 0 H THR A 37 18.460 -1.182 3.056 1.00 0.84 H new ATOM 0 HA THR A 37 17.865 -3.869 2.105 1.00 0.90 H new ATOM 0 HB THR A 37 19.636 -4.477 3.612 1.00 1.03 H new ATOM 0 HG1 THR A 37 20.523 -2.861 5.078 1.00 1.07 H new ATOM 0 HG21 THR A 37 21.485 -2.986 2.902 1.00 1.06 H new ATOM 0 HG22 THR A 37 20.384 -3.339 1.549 1.00 1.06 H new ATOM 0 HG23 THR A 37 20.296 -1.768 2.381 1.00 1.06 H new ATOM 503 N ASN A 38 16.674 -2.522 4.793 1.00 0.87 N ATOM 504 CA ASN A 38 15.712 -2.661 5.868 1.00 0.88 C ATOM 505 C ASN A 38 15.139 -1.296 6.242 1.00 0.80 C ATOM 506 O ASN A 38 15.382 -0.785 7.336 1.00 0.86 O ATOM 507 CB ASN A 38 16.404 -3.299 7.061 1.00 1.05 C ATOM 508 CG ASN A 38 15.438 -3.803 8.123 1.00 1.02 C ATOM 509 OD1 ASN A 38 14.344 -3.270 8.298 1.00 1.43 O ATOM 510 ND2 ASN A 38 15.835 -4.844 8.837 1.00 1.64 N ATOM 0 H ASN A 38 17.047 -1.579 4.687 1.00 0.87 H new ATOM 0 HA ASN A 38 14.885 -3.295 5.548 1.00 0.88 H new ATOM 0 HB2 ASN A 38 17.017 -4.131 6.714 1.00 1.05 H new ATOM 0 HB3 ASN A 38 17.080 -2.572 7.511 1.00 1.05 H new ATOM 0 HD21 ASN A 38 15.226 -5.229 9.559 1.00 1.64 H new ATOM 0 HD22 ASN A 38 16.750 -5.262 8.665 1.00 1.64 H new ATOM 517 N PRO A 39 14.411 -0.668 5.308 1.00 0.68 N ATOM 518 CA PRO A 39 13.760 0.626 5.542 1.00 0.61 C ATOM 519 C PRO A 39 12.678 0.585 6.620 1.00 0.63 C ATOM 520 O PRO A 39 12.361 -0.471 7.177 1.00 0.73 O ATOM 521 CB PRO A 39 13.146 0.980 4.189 1.00 0.53 C ATOM 522 CG PRO A 39 13.086 -0.295 3.437 1.00 0.54 C ATOM 523 CD PRO A 39 14.215 -1.134 3.928 1.00 0.64 C ATOM 0 HA PRO A 39 14.480 1.357 5.909 1.00 0.61 H new ATOM 0 HB2 PRO A 39 12.152 1.412 4.310 1.00 0.53 H new ATOM 0 HB3 PRO A 39 13.753 1.718 3.664 1.00 0.53 H new ATOM 0 HG2 PRO A 39 12.132 -0.796 3.600 1.00 0.54 H new ATOM 0 HG3 PRO A 39 13.174 -0.117 2.365 1.00 0.54 H new ATOM 0 HD2 PRO A 39 13.971 -2.196 3.893 1.00 0.64 H new ATOM 0 HD3 PRO A 39 15.112 -0.993 3.325 1.00 0.64 H new ATOM 531 N SER A 40 12.112 1.750 6.893 1.00 0.58 N ATOM 532 CA SER A 40 11.092 1.907 7.923 1.00 0.61 C ATOM 533 C SER A 40 9.751 1.337 7.473 1.00 0.53 C ATOM 534 O SER A 40 9.618 0.823 6.359 1.00 0.49 O ATOM 535 CB SER A 40 10.935 3.391 8.259 1.00 0.64 C ATOM 536 OG SER A 40 12.167 3.943 8.699 1.00 0.77 O ATOM 0 H SER A 40 12.346 2.616 6.407 1.00 0.58 H new ATOM 0 HA SER A 40 11.411 1.355 8.807 1.00 0.61 H new ATOM 0 HB2 SER A 40 10.582 3.932 7.381 1.00 0.64 H new ATOM 0 HB3 SER A 40 10.179 3.515 9.034 1.00 0.64 H new ATOM 0 HG SER A 40 12.044 4.893 8.907 1.00 0.77 H new ATOM 542 N GLU A 41 8.762 1.421 8.355 1.00 0.58 N ATOM 543 CA GLU A 41 7.412 1.060 8.008 1.00 0.55 C ATOM 544 C GLU A 41 6.874 2.063 7.020 1.00 0.51 C ATOM 545 O GLU A 41 6.866 3.269 7.268 1.00 0.72 O ATOM 546 CB GLU A 41 6.540 0.995 9.257 1.00 0.66 C ATOM 547 CG GLU A 41 5.063 1.122 8.968 1.00 0.66 C ATOM 548 CD GLU A 41 4.198 0.870 10.187 1.00 0.82 C ATOM 549 OE1 GLU A 41 3.671 -0.250 10.331 1.00 0.85 O ATOM 550 OE2 GLU A 41 4.042 1.795 11.011 1.00 0.99 O ATOM 0 H GLU A 41 8.881 1.738 9.317 1.00 0.58 H new ATOM 0 HA GLU A 41 7.402 0.071 7.550 1.00 0.55 H new ATOM 0 HB2 GLU A 41 6.722 0.050 9.769 1.00 0.66 H new ATOM 0 HB3 GLU A 41 6.838 1.790 9.940 1.00 0.66 H new ATOM 0 HG2 GLU A 41 4.858 2.121 8.584 1.00 0.66 H new ATOM 0 HG3 GLU A 41 4.790 0.417 8.183 1.00 0.66 H new ATOM 557 N ILE A 42 6.443 1.552 5.897 1.00 0.29 N ATOM 558 CA ILE A 42 6.058 2.371 4.794 1.00 0.21 C ATOM 559 C ILE A 42 4.552 2.554 4.748 1.00 0.22 C ATOM 560 O ILE A 42 3.795 1.594 4.891 1.00 0.27 O ATOM 561 CB ILE A 42 6.568 1.749 3.498 1.00 0.16 C ATOM 562 CG1 ILE A 42 8.087 1.879 3.449 1.00 0.17 C ATOM 563 CG2 ILE A 42 5.905 2.394 2.305 1.00 0.13 C ATOM 564 CD1 ILE A 42 8.673 1.644 2.088 1.00 0.15 C ATOM 0 H ILE A 42 6.351 0.550 5.728 1.00 0.29 H new ATOM 0 HA ILE A 42 6.503 3.358 4.917 1.00 0.21 H new ATOM 0 HB ILE A 42 6.312 0.690 3.467 1.00 0.16 H new ATOM 0 HG12 ILE A 42 8.368 2.876 3.788 1.00 0.17 H new ATOM 0 HG13 ILE A 42 8.526 1.169 4.150 1.00 0.17 H new ATOM 0 HG21 ILE A 42 6.281 1.938 1.389 1.00 0.13 H new ATOM 0 HG22 ILE A 42 4.826 2.250 2.366 1.00 0.13 H new ATOM 0 HG23 ILE A 42 6.128 3.461 2.297 1.00 0.13 H new ATOM 0 HD11 ILE A 42 9.756 1.754 2.134 1.00 0.15 H new ATOM 0 HD12 ILE A 42 8.425 0.637 1.754 1.00 0.15 H new ATOM 0 HD13 ILE A 42 8.264 2.370 1.386 1.00 0.15 H new ATOM 576 N THR A 43 4.123 3.793 4.572 1.00 0.19 N ATOM 577 CA THR A 43 2.712 4.088 4.461 1.00 0.19 C ATOM 578 C THR A 43 2.447 4.991 3.287 1.00 0.16 C ATOM 579 O THR A 43 3.372 5.561 2.717 1.00 0.15 O ATOM 580 CB THR A 43 2.147 4.733 5.740 1.00 0.21 C ATOM 581 OG1 THR A 43 2.857 5.938 6.043 1.00 0.21 O ATOM 582 CG2 THR A 43 2.244 3.769 6.910 1.00 0.22 C ATOM 0 H THR A 43 4.734 4.607 4.504 1.00 0.19 H new ATOM 0 HA THR A 43 2.205 3.134 4.312 1.00 0.19 H new ATOM 0 HB THR A 43 1.098 4.972 5.569 1.00 0.21 H new ATOM 0 HG1 THR A 43 2.487 6.340 6.857 1.00 0.21 H new ATOM 0 HG21 THR A 43 1.840 4.242 7.805 1.00 0.22 H new ATOM 0 HG22 THR A 43 1.674 2.867 6.687 1.00 0.22 H new ATOM 0 HG23 THR A 43 3.288 3.505 7.079 1.00 0.22 H new ATOM 590 N LEU A 44 1.190 5.128 2.938 1.00 0.16 N ATOM 591 CA LEU A 44 0.805 5.920 1.790 1.00 0.15 C ATOM 592 C LEU A 44 1.168 7.372 2.005 1.00 0.15 C ATOM 593 O LEU A 44 1.610 8.069 1.095 1.00 0.16 O ATOM 594 CB LEU A 44 -0.679 5.782 1.560 1.00 0.16 C ATOM 595 CG LEU A 44 -1.177 4.353 1.485 1.00 0.15 C ATOM 596 CD1 LEU A 44 -2.571 4.308 0.910 1.00 0.17 C ATOM 597 CD2 LEU A 44 -0.216 3.497 0.679 1.00 0.18 C ATOM 0 H LEU A 44 0.410 4.699 3.435 1.00 0.16 H new ATOM 0 HA LEU A 44 1.341 5.560 0.912 1.00 0.15 H new ATOM 0 HB2 LEU A 44 -1.207 6.295 2.364 1.00 0.16 H new ATOM 0 HB3 LEU A 44 -0.938 6.292 0.632 1.00 0.16 H new ATOM 0 HG LEU A 44 -1.221 3.944 2.494 1.00 0.15 H new ATOM 0 HD11 LEU A 44 -2.912 3.274 0.864 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -3.245 4.884 1.544 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -2.565 4.733 -0.094 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -0.589 2.474 0.635 1.00 0.18 H new ATOM 0 HD22 LEU A 44 -0.133 3.896 -0.332 1.00 0.18 H new ATOM 0 HD23 LEU A 44 0.765 3.505 1.154 1.00 0.18 H new ATOM 609 N ALA A 45 0.993 7.798 3.237 1.00 0.15 N ATOM 610 CA ALA A 45 1.310 9.151 3.637 1.00 0.15 C ATOM 611 C ALA A 45 2.814 9.416 3.505 1.00 0.15 C ATOM 612 O ALA A 45 3.238 10.545 3.261 1.00 0.18 O ATOM 613 CB ALA A 45 0.819 9.371 5.059 1.00 0.18 C ATOM 0 H ALA A 45 0.627 7.215 3.990 1.00 0.15 H new ATOM 0 HA ALA A 45 0.806 9.860 2.980 1.00 0.15 H new ATOM 0 HB1 ALA A 45 1.053 10.389 5.371 1.00 0.18 H new ATOM 0 HB2 ALA A 45 -0.259 9.218 5.099 1.00 0.18 H new ATOM 0 HB3 ALA A 45 1.311 8.664 5.727 1.00 0.18 H new ATOM 619 N LYS A 46 3.608 8.355 3.641 1.00 0.15 N ATOM 620 CA LYS A 46 5.052 8.424 3.479 1.00 0.15 C ATOM 621 C LYS A 46 5.445 8.282 2.021 1.00 0.13 C ATOM 622 O LYS A 46 6.443 8.838 1.573 1.00 0.13 O ATOM 623 CB LYS A 46 5.691 7.300 4.262 1.00 0.16 C ATOM 624 CG LYS A 46 5.549 7.436 5.755 1.00 0.20 C ATOM 625 CD LYS A 46 6.079 6.209 6.456 1.00 0.22 C ATOM 626 CE LYS A 46 5.707 6.216 7.916 1.00 0.30 C ATOM 627 NZ LYS A 46 6.300 7.375 8.641 1.00 0.36 N ATOM 0 H LYS A 46 3.263 7.422 3.867 1.00 0.15 H new ATOM 0 HA LYS A 46 5.393 9.393 3.843 1.00 0.15 H new ATOM 0 HB2 LYS A 46 5.247 6.355 3.950 1.00 0.16 H new ATOM 0 HB3 LYS A 46 6.751 7.253 4.011 1.00 0.16 H new ATOM 0 HG2 LYS A 46 6.089 8.318 6.098 1.00 0.20 H new ATOM 0 HG3 LYS A 46 4.500 7.584 6.013 1.00 0.20 H new ATOM 0 HD2 LYS A 46 5.680 5.313 5.980 1.00 0.22 H new ATOM 0 HD3 LYS A 46 7.163 6.168 6.354 1.00 0.22 H new ATOM 0 HE2 LYS A 46 4.622 6.245 8.013 1.00 0.30 H new ATOM 0 HE3 LYS A 46 6.043 5.289 8.380 1.00 0.30 H new ATOM 0 HZ1 LYS A 46 6.118 7.277 9.660 1.00 0.36 H new ATOM 0 HZ2 LYS A 46 7.326 7.401 8.473 1.00 0.36 H new ATOM 0 HZ3 LYS A 46 5.870 8.257 8.296 1.00 0.36 H new ATOM 641 N LEU A 47 4.658 7.507 1.297 1.00 0.13 N ATOM 642 CA LEU A 47 4.911 7.234 -0.099 1.00 0.11 C ATOM 643 C LEU A 47 4.547 8.424 -0.975 1.00 0.12 C ATOM 644 O LEU A 47 4.890 8.455 -2.152 1.00 0.14 O ATOM 645 CB LEU A 47 4.124 5.996 -0.520 1.00 0.09 C ATOM 646 CG LEU A 47 4.667 4.678 0.022 1.00 0.09 C ATOM 647 CD1 LEU A 47 3.803 3.516 -0.439 1.00 0.10 C ATOM 648 CD2 LEU A 47 6.115 4.481 -0.406 1.00 0.11 C ATOM 0 H LEU A 47 3.824 7.050 1.665 1.00 0.13 H new ATOM 0 HA LEU A 47 5.977 7.051 -0.231 1.00 0.11 H new ATOM 0 HB2 LEU A 47 3.091 6.110 -0.191 1.00 0.09 H new ATOM 0 HB3 LEU A 47 4.108 5.946 -1.609 1.00 0.09 H new ATOM 0 HG LEU A 47 4.637 4.713 1.111 1.00 0.09 H new ATOM 0 HD11 LEU A 47 4.205 2.584 -0.043 1.00 0.10 H new ATOM 0 HD12 LEU A 47 2.784 3.654 -0.077 1.00 0.10 H new ATOM 0 HD13 LEU A 47 3.799 3.475 -1.528 1.00 0.10 H new ATOM 0 HD21 LEU A 47 6.486 3.536 -0.010 1.00 0.11 H new ATOM 0 HD22 LEU A 47 6.174 4.467 -1.494 1.00 0.11 H new ATOM 0 HD23 LEU A 47 6.723 5.299 -0.020 1.00 0.11 H new ATOM 660 N ALA A 48 3.881 9.409 -0.376 1.00 0.12 N ATOM 661 CA ALA A 48 3.423 10.606 -1.086 1.00 0.14 C ATOM 662 C ALA A 48 4.489 11.207 -2.016 1.00 0.15 C ATOM 663 O ALA A 48 4.220 11.406 -3.201 1.00 0.19 O ATOM 664 CB ALA A 48 2.938 11.659 -0.099 1.00 0.16 C ATOM 0 H ALA A 48 3.643 9.402 0.616 1.00 0.12 H new ATOM 0 HA ALA A 48 2.596 10.287 -1.721 1.00 0.14 H new ATOM 0 HB1 ALA A 48 2.602 12.541 -0.644 1.00 0.16 H new ATOM 0 HB2 ALA A 48 2.111 11.256 0.485 1.00 0.16 H new ATOM 0 HB3 ALA A 48 3.754 11.935 0.569 1.00 0.16 H new ATOM 670 N PRO A 49 5.711 11.495 -1.515 1.00 0.15 N ATOM 671 CA PRO A 49 6.771 12.117 -2.320 1.00 0.19 C ATOM 672 C PRO A 49 7.271 11.210 -3.439 1.00 0.21 C ATOM 673 O PRO A 49 7.891 11.665 -4.401 1.00 0.28 O ATOM 674 CB PRO A 49 7.892 12.347 -1.300 1.00 0.21 C ATOM 675 CG PRO A 49 7.214 12.313 0.017 1.00 0.37 C ATOM 676 CD PRO A 49 6.182 11.259 -0.142 1.00 0.14 C ATOM 0 HA PRO A 49 6.420 13.020 -2.819 1.00 0.19 H new ATOM 0 HB2 PRO A 49 8.657 11.574 -1.372 1.00 0.21 H new ATOM 0 HB3 PRO A 49 8.388 13.303 -1.466 1.00 0.21 H new ATOM 0 HG2 PRO A 49 7.911 12.072 0.819 1.00 0.37 H new ATOM 0 HG3 PRO A 49 6.767 13.277 0.262 1.00 0.37 H new ATOM 0 HD2 PRO A 49 6.598 10.259 -0.020 1.00 0.14 H new ATOM 0 HD3 PRO A 49 5.379 11.361 0.588 1.00 0.14 H new ATOM 684 N TYR A 50 7.000 9.923 -3.299 1.00 0.21 N ATOM 685 CA TYR A 50 7.485 8.923 -4.235 1.00 0.25 C ATOM 686 C TYR A 50 6.392 8.513 -5.210 1.00 0.27 C ATOM 687 O TYR A 50 6.602 7.662 -6.074 1.00 0.33 O ATOM 688 CB TYR A 50 7.998 7.714 -3.461 1.00 0.26 C ATOM 689 CG TYR A 50 8.987 8.092 -2.386 1.00 0.28 C ATOM 690 CD1 TYR A 50 10.273 8.501 -2.709 1.00 0.35 C ATOM 691 CD2 TYR A 50 8.622 8.067 -1.049 1.00 0.26 C ATOM 692 CE1 TYR A 50 11.169 8.874 -1.729 1.00 0.39 C ATOM 693 CE2 TYR A 50 9.515 8.433 -0.059 1.00 0.30 C ATOM 694 CZ TYR A 50 10.786 8.839 -0.405 1.00 0.36 C ATOM 695 OH TYR A 50 11.676 9.219 0.571 1.00 0.42 O ATOM 0 H TYR A 50 6.440 9.543 -2.536 1.00 0.21 H new ATOM 0 HA TYR A 50 8.301 9.350 -4.818 1.00 0.25 H new ATOM 0 HB2 TYR A 50 7.155 7.193 -3.007 1.00 0.26 H new ATOM 0 HB3 TYR A 50 8.469 7.016 -4.154 1.00 0.26 H new ATOM 0 HD1 TYR A 50 10.577 8.528 -3.745 1.00 0.35 H new ATOM 0 HD2 TYR A 50 7.624 7.757 -0.776 1.00 0.26 H new ATOM 0 HE1 TYR A 50 12.166 9.192 -1.997 1.00 0.39 H new ATOM 0 HE2 TYR A 50 9.219 8.401 0.979 1.00 0.30 H new ATOM 0 HH TYR A 50 11.251 9.138 1.450 1.00 0.42 H new ATOM 705 N MET A 51 5.222 9.119 -5.061 1.00 0.28 N ATOM 706 CA MET A 51 4.123 8.879 -5.981 1.00 0.35 C ATOM 707 C MET A 51 4.138 9.927 -7.080 1.00 0.54 C ATOM 708 O MET A 51 4.853 10.924 -6.988 1.00 0.51 O ATOM 709 CB MET A 51 2.776 8.937 -5.267 1.00 0.29 C ATOM 710 CG MET A 51 2.653 8.029 -4.064 1.00 0.15 C ATOM 711 SD MET A 51 2.865 6.294 -4.453 1.00 0.26 S ATOM 712 CE MET A 51 1.507 5.993 -5.553 1.00 0.25 C ATOM 0 H MET A 51 5.011 9.779 -4.312 1.00 0.28 H new ATOM 0 HA MET A 51 4.253 7.882 -6.402 1.00 0.35 H new ATOM 0 HB2 MET A 51 2.594 9.964 -4.949 1.00 0.29 H new ATOM 0 HB3 MET A 51 1.992 8.680 -5.980 1.00 0.29 H new ATOM 0 HG2 MET A 51 3.396 8.320 -3.322 1.00 0.15 H new ATOM 0 HG3 MET A 51 1.674 8.174 -3.608 1.00 0.15 H new ATOM 0 HE1 MET A 51 1.208 4.947 -5.484 1.00 0.25 H new ATOM 0 HE2 MET A 51 0.667 6.630 -5.276 1.00 0.25 H new ATOM 0 HE3 MET A 51 1.811 6.217 -6.576 1.00 0.25 H new ATOM 722 N SER A 52 3.346 9.702 -8.111 1.00 0.90 N ATOM 723 CA SER A 52 3.246 10.649 -9.220 1.00 1.14 C ATOM 724 C SER A 52 1.872 10.573 -9.887 1.00 0.98 C ATOM 725 O SER A 52 1.351 11.579 -10.371 1.00 1.19 O ATOM 726 CB SER A 52 4.341 10.370 -10.256 1.00 1.43 C ATOM 727 OG SER A 52 5.628 10.376 -9.657 1.00 2.32 O ATOM 0 H SER A 52 2.760 8.873 -8.210 1.00 0.90 H new ATOM 0 HA SER A 52 3.378 11.653 -8.817 1.00 1.14 H new ATOM 0 HB2 SER A 52 4.161 9.404 -10.728 1.00 1.43 H new ATOM 0 HB3 SER A 52 4.300 11.122 -11.044 1.00 1.43 H new ATOM 0 HG SER A 52 6.307 10.194 -10.339 1.00 2.32 H new ATOM 733 N LYS A 53 1.299 9.372 -9.894 1.00 0.79 N ATOM 734 CA LYS A 53 0.024 9.090 -10.549 1.00 0.81 C ATOM 735 C LYS A 53 -1.067 10.101 -10.248 1.00 0.98 C ATOM 736 O LYS A 53 -1.690 10.664 -11.147 1.00 1.91 O ATOM 737 CB LYS A 53 -0.447 7.673 -10.179 1.00 0.99 C ATOM 738 CG LYS A 53 -0.112 7.202 -8.753 1.00 0.82 C ATOM 739 CD LYS A 53 -1.125 7.612 -7.683 1.00 0.69 C ATOM 740 CE LYS A 53 -2.434 6.812 -7.736 1.00 0.86 C ATOM 741 NZ LYS A 53 -3.095 6.849 -9.073 1.00 1.65 N ATOM 0 H LYS A 53 1.712 8.557 -9.440 1.00 0.79 H new ATOM 0 HA LYS A 53 0.208 9.165 -11.621 1.00 0.81 H new ATOM 0 HB2 LYS A 53 -1.528 7.625 -10.312 1.00 0.99 H new ATOM 0 HB3 LYS A 53 -0.007 6.969 -10.886 1.00 0.99 H new ATOM 0 HG2 LYS A 53 -0.028 6.115 -8.756 1.00 0.82 H new ATOM 0 HG3 LYS A 53 0.866 7.596 -8.476 1.00 0.82 H new ATOM 0 HD2 LYS A 53 -0.672 7.487 -6.699 1.00 0.69 H new ATOM 0 HD3 LYS A 53 -1.352 8.672 -7.797 1.00 0.69 H new ATOM 0 HE2 LYS A 53 -2.229 5.775 -7.468 1.00 0.86 H new ATOM 0 HE3 LYS A 53 -3.122 7.205 -6.987 1.00 0.86 H new ATOM 0 HZ1 LYS A 53 -4.106 6.632 -8.966 1.00 1.65 H new ATOM 0 HZ2 LYS A 53 -2.986 7.796 -9.488 1.00 1.65 H new ATOM 0 HZ3 LYS A 53 -2.654 6.145 -9.698 1.00 1.65 H new ATOM 755 N ASN A 54 -1.272 10.320 -8.990 1.00 0.79 N ATOM 756 CA ASN A 54 -2.403 11.069 -8.492 1.00 0.77 C ATOM 757 C ASN A 54 -2.058 11.655 -7.147 1.00 0.93 C ATOM 758 O ASN A 54 -2.896 11.751 -6.255 1.00 1.79 O ATOM 759 CB ASN A 54 -3.566 10.122 -8.304 1.00 0.75 C ATOM 760 CG ASN A 54 -4.428 9.947 -9.537 1.00 1.15 C ATOM 761 OD1 ASN A 54 -4.168 9.072 -10.362 1.00 2.06 O ATOM 762 ND2 ASN A 54 -5.466 10.756 -9.662 1.00 1.22 N ATOM 0 H ASN A 54 -0.650 9.980 -8.256 1.00 0.79 H new ATOM 0 HA ASN A 54 -2.657 11.861 -9.196 1.00 0.77 H new ATOM 0 HB2 ASN A 54 -3.182 9.148 -8.001 1.00 0.75 H new ATOM 0 HB3 ASN A 54 -4.189 10.487 -7.487 1.00 0.75 H new ATOM 0 HD21 ASN A 54 -6.087 10.668 -10.466 1.00 1.22 H new ATOM 0 HD22 ASN A 54 -5.645 11.468 -8.954 1.00 1.22 H new ATOM 769 N ALA A 55 -0.812 12.017 -7.003 1.00 0.45 N ATOM 770 CA ALA A 55 -0.265 12.289 -5.696 1.00 0.38 C ATOM 771 C ALA A 55 0.843 13.325 -5.733 1.00 0.49 C ATOM 772 O ALA A 55 1.689 13.308 -6.626 1.00 0.72 O ATOM 773 CB ALA A 55 0.264 10.996 -5.134 1.00 0.31 C ATOM 0 H ALA A 55 -0.154 12.131 -7.774 1.00 0.45 H new ATOM 0 HA ALA A 55 -1.056 12.699 -5.069 1.00 0.38 H new ATOM 0 HB1 ALA A 55 0.684 11.174 -4.144 1.00 0.31 H new ATOM 0 HB2 ALA A 55 -0.548 10.273 -5.059 1.00 0.31 H new ATOM 0 HB3 ALA A 55 1.039 10.604 -5.792 1.00 0.31 H new ATOM 779 N LYS A 56 0.830 14.212 -4.749 1.00 0.48 N ATOM 780 CA LYS A 56 1.893 15.186 -4.565 1.00 0.59 C ATOM 781 C LYS A 56 2.257 15.281 -3.087 1.00 0.45 C ATOM 782 O LYS A 56 3.431 15.270 -2.720 1.00 0.50 O ATOM 783 CB LYS A 56 1.484 16.561 -5.107 1.00 0.79 C ATOM 784 CG LYS A 56 1.254 16.572 -6.607 1.00 1.43 C ATOM 785 CD LYS A 56 2.560 16.378 -7.355 1.00 1.46 C ATOM 786 CE LYS A 56 2.336 15.744 -8.717 1.00 1.71 C ATOM 787 NZ LYS A 56 1.418 16.543 -9.567 1.00 2.30 N ATOM 0 H LYS A 56 0.083 14.276 -4.057 1.00 0.48 H new ATOM 0 HA LYS A 56 2.766 14.854 -5.127 1.00 0.59 H new ATOM 0 HB2 LYS A 56 0.573 16.885 -4.605 1.00 0.79 H new ATOM 0 HB3 LYS A 56 2.259 17.286 -4.860 1.00 0.79 H new ATOM 0 HG2 LYS A 56 0.554 15.782 -6.878 1.00 1.43 H new ATOM 0 HG3 LYS A 56 0.798 17.517 -6.902 1.00 1.43 H new ATOM 0 HD2 LYS A 56 3.056 17.341 -7.478 1.00 1.46 H new ATOM 0 HD3 LYS A 56 3.227 15.749 -6.766 1.00 1.46 H new ATOM 0 HE2 LYS A 56 3.294 15.633 -9.225 1.00 1.71 H new ATOM 0 HE3 LYS A 56 1.927 14.742 -8.586 1.00 1.71 H new ATOM 0 HZ1 LYS A 56 1.375 16.126 -10.519 1.00 2.30 H new ATOM 0 HZ2 LYS A 56 0.467 16.543 -9.146 1.00 2.30 H new ATOM 0 HZ3 LYS A 56 1.768 17.520 -9.632 1.00 2.30 H new ATOM 801 N ASN A 57 1.237 15.367 -2.242 1.00 0.36 N ATOM 802 CA ASN A 57 1.425 15.370 -0.802 1.00 0.26 C ATOM 803 C ASN A 57 0.668 14.217 -0.184 1.00 0.22 C ATOM 804 O ASN A 57 0.064 13.421 -0.898 1.00 0.24 O ATOM 805 CB ASN A 57 0.937 16.680 -0.180 1.00 0.31 C ATOM 806 CG ASN A 57 1.736 17.884 -0.632 1.00 0.35 C ATOM 807 OD1 ASN A 57 2.733 18.247 -0.011 1.00 1.02 O ATOM 808 ND2 ASN A 57 1.302 18.511 -1.713 1.00 1.32 N ATOM 0 H ASN A 57 0.263 15.436 -2.536 1.00 0.36 H new ATOM 0 HA ASN A 57 2.492 15.267 -0.604 1.00 0.26 H new ATOM 0 HB2 ASN A 57 -0.112 16.829 -0.437 1.00 0.31 H new ATOM 0 HB3 ASN A 57 0.991 16.602 0.906 1.00 0.31 H new ATOM 0 HD21 ASN A 57 1.800 19.330 -2.062 1.00 1.32 H new ATOM 0 HD22 ASN A 57 0.470 18.175 -2.198 1.00 1.32 H new ATOM 815 N GLU A 58 0.689 14.139 1.132 1.00 0.23 N ATOM 816 CA GLU A 58 -0.005 13.079 1.852 1.00 0.23 C ATOM 817 C GLU A 58 -1.509 13.169 1.611 1.00 0.30 C ATOM 818 O GLU A 58 -2.171 12.166 1.339 1.00 0.36 O ATOM 819 CB GLU A 58 0.332 13.158 3.341 1.00 0.27 C ATOM 820 CG GLU A 58 -0.874 13.257 4.245 1.00 0.36 C ATOM 821 CD GLU A 58 -0.505 13.339 5.711 1.00 0.46 C ATOM 822 OE1 GLU A 58 -0.432 14.459 6.250 1.00 0.68 O ATOM 823 OE2 GLU A 58 -0.285 12.278 6.332 1.00 0.59 O ATOM 0 H GLU A 58 1.182 14.800 1.732 1.00 0.23 H new ATOM 0 HA GLU A 58 0.329 12.110 1.480 1.00 0.23 H new ATOM 0 HB2 GLU A 58 0.909 12.276 3.619 1.00 0.27 H new ATOM 0 HB3 GLU A 58 0.972 14.024 3.512 1.00 0.27 H new ATOM 0 HG2 GLU A 58 -1.455 14.138 3.972 1.00 0.36 H new ATOM 0 HG3 GLU A 58 -1.515 12.390 4.084 1.00 0.36 H new ATOM 830 N ASP A 59 -2.025 14.384 1.676 1.00 0.37 N ATOM 831 CA ASP A 59 -3.434 14.641 1.418 1.00 0.48 C ATOM 832 C ASP A 59 -3.733 14.458 -0.061 1.00 0.41 C ATOM 833 O ASP A 59 -4.879 14.319 -0.470 1.00 0.50 O ATOM 834 CB ASP A 59 -3.786 16.052 1.870 1.00 0.63 C ATOM 835 CG ASP A 59 -5.233 16.423 1.604 1.00 0.65 C ATOM 836 OD1 ASP A 59 -6.126 15.877 2.282 1.00 0.90 O ATOM 837 OD2 ASP A 59 -5.483 17.283 0.730 1.00 0.55 O ATOM 0 H ASP A 59 -1.484 15.217 1.908 1.00 0.37 H new ATOM 0 HA ASP A 59 -4.042 13.932 1.980 1.00 0.48 H new ATOM 0 HB2 ASP A 59 -3.584 16.145 2.937 1.00 0.63 H new ATOM 0 HB3 ASP A 59 -3.136 16.763 1.359 1.00 0.63 H new ATOM 842 N GLY A 60 -2.677 14.453 -0.852 1.00 0.35 N ATOM 843 CA GLY A 60 -2.808 14.209 -2.269 1.00 0.41 C ATOM 844 C GLY A 60 -2.899 12.733 -2.590 1.00 0.43 C ATOM 845 O GLY A 60 -3.855 12.282 -3.220 1.00 0.83 O ATOM 0 H GLY A 60 -1.721 14.615 -0.534 1.00 0.35 H new ATOM 0 HA2 GLY A 60 -3.698 14.716 -2.642 1.00 0.41 H new ATOM 0 HA3 GLY A 60 -1.954 14.640 -2.791 1.00 0.41 H new ATOM 849 N ILE A 61 -1.907 11.979 -2.135 1.00 0.25 N ATOM 850 CA ILE A 61 -1.804 10.571 -2.435 1.00 0.20 C ATOM 851 C ILE A 61 -2.941 9.773 -1.828 1.00 0.15 C ATOM 852 O ILE A 61 -3.742 9.161 -2.533 1.00 0.17 O ATOM 853 CB ILE A 61 -0.442 10.014 -1.939 1.00 0.21 C ATOM 854 CG1 ILE A 61 -0.395 8.508 -2.075 1.00 0.19 C ATOM 855 CG2 ILE A 61 -0.145 10.413 -0.500 1.00 0.23 C ATOM 856 CD1 ILE A 61 -0.843 8.019 -3.434 1.00 0.20 C ATOM 0 H ILE A 61 -1.153 12.334 -1.547 1.00 0.25 H new ATOM 0 HA ILE A 61 -1.869 10.465 -3.518 1.00 0.20 H new ATOM 0 HB ILE A 61 0.327 10.457 -2.572 1.00 0.21 H new ATOM 0 HG12 ILE A 61 0.623 8.164 -1.890 1.00 0.19 H new ATOM 0 HG13 ILE A 61 -1.027 8.060 -1.308 1.00 0.19 H new ATOM 0 HG21 ILE A 61 0.818 10.000 -0.199 1.00 0.23 H new ATOM 0 HG22 ILE A 61 -0.113 11.500 -0.423 1.00 0.23 H new ATOM 0 HG23 ILE A 61 -0.926 10.025 0.154 1.00 0.23 H new ATOM 0 HD11 ILE A 61 -0.786 6.931 -3.466 1.00 0.20 H new ATOM 0 HD12 ILE A 61 -1.871 8.334 -3.613 1.00 0.20 H new ATOM 0 HD13 ILE A 61 -0.196 8.439 -4.204 1.00 0.20 H new ATOM 868 N VAL A 62 -3.009 9.830 -0.531 1.00 0.14 N ATOM 869 CA VAL A 62 -3.867 8.970 0.246 1.00 0.13 C ATOM 870 C VAL A 62 -5.328 9.220 -0.069 1.00 0.19 C ATOM 871 O VAL A 62 -6.144 8.303 -0.097 1.00 0.24 O ATOM 872 CB VAL A 62 -3.588 9.212 1.730 1.00 0.14 C ATOM 873 CG1 VAL A 62 -4.499 8.402 2.598 1.00 0.20 C ATOM 874 CG2 VAL A 62 -2.160 8.869 2.033 1.00 0.12 C ATOM 0 H VAL A 62 -2.463 10.484 0.030 1.00 0.14 H new ATOM 0 HA VAL A 62 -3.656 7.931 -0.007 1.00 0.13 H new ATOM 0 HB VAL A 62 -3.771 10.265 1.944 1.00 0.14 H new ATOM 0 HG11 VAL A 62 -4.273 8.599 3.646 1.00 0.20 H new ATOM 0 HG12 VAL A 62 -5.534 8.674 2.393 1.00 0.20 H new ATOM 0 HG13 VAL A 62 -4.354 7.342 2.388 1.00 0.20 H new ATOM 0 HG21 VAL A 62 -1.961 9.041 3.091 1.00 0.12 H new ATOM 0 HG22 VAL A 62 -1.979 7.820 1.796 1.00 0.12 H new ATOM 0 HG23 VAL A 62 -1.500 9.495 1.433 1.00 0.12 H new ATOM 884 N ASN A 63 -5.632 10.466 -0.332 1.00 0.23 N ATOM 885 CA ASN A 63 -6.990 10.885 -0.638 1.00 0.28 C ATOM 886 C ASN A 63 -7.392 10.489 -2.061 1.00 0.26 C ATOM 887 O ASN A 63 -8.577 10.326 -2.357 1.00 0.32 O ATOM 888 CB ASN A 63 -7.109 12.394 -0.461 1.00 0.39 C ATOM 889 CG ASN A 63 -8.524 12.910 -0.623 1.00 0.56 C ATOM 890 OD1 ASN A 63 -9.494 12.226 -0.296 1.00 1.17 O ATOM 891 ND2 ASN A 63 -8.650 14.120 -1.143 1.00 1.20 N ATOM 0 H ASN A 63 -4.950 11.224 -0.342 1.00 0.23 H new ATOM 0 HA ASN A 63 -7.667 10.379 0.050 1.00 0.28 H new ATOM 0 HB2 ASN A 63 -6.742 12.666 0.529 1.00 0.39 H new ATOM 0 HB3 ASN A 63 -6.464 12.889 -1.187 1.00 0.39 H new ATOM 0 HD21 ASN A 63 -9.578 14.519 -1.286 1.00 1.20 H new ATOM 0 HD22 ASN A 63 -7.820 14.653 -1.400 1.00 1.20 H new ATOM 898 N SER A 64 -6.408 10.336 -2.939 1.00 0.25 N ATOM 899 CA SER A 64 -6.675 9.964 -4.326 1.00 0.30 C ATOM 900 C SER A 64 -6.690 8.446 -4.471 1.00 0.28 C ATOM 901 O SER A 64 -7.158 7.904 -5.471 1.00 0.39 O ATOM 902 CB SER A 64 -5.618 10.561 -5.253 1.00 0.38 C ATOM 903 OG SER A 64 -6.112 10.692 -6.578 1.00 1.17 O ATOM 0 H SER A 64 -5.420 10.463 -2.718 1.00 0.25 H new ATOM 0 HA SER A 64 -7.652 10.359 -4.606 1.00 0.30 H new ATOM 0 HB2 SER A 64 -5.312 11.538 -4.878 1.00 0.38 H new ATOM 0 HB3 SER A 64 -4.731 9.927 -5.254 1.00 0.38 H new ATOM 0 HG SER A 64 -5.857 11.567 -6.937 1.00 1.17 H new ATOM 909 N LEU A 65 -6.186 7.775 -3.454 1.00 0.21 N ATOM 910 CA LEU A 65 -6.132 6.324 -3.426 1.00 0.20 C ATOM 911 C LEU A 65 -7.422 5.742 -2.894 1.00 0.20 C ATOM 912 O LEU A 65 -8.254 6.463 -2.343 1.00 0.22 O ATOM 913 CB LEU A 65 -4.991 5.848 -2.543 1.00 0.21 C ATOM 914 CG LEU A 65 -3.600 6.103 -3.071 1.00 0.30 C ATOM 915 CD1 LEU A 65 -2.589 5.689 -2.031 1.00 0.18 C ATOM 916 CD2 LEU A 65 -3.373 5.342 -4.356 1.00 0.71 C ATOM 0 H LEU A 65 -5.801 8.220 -2.621 1.00 0.21 H new ATOM 0 HA LEU A 65 -5.976 5.987 -4.451 1.00 0.20 H new ATOM 0 HB2 LEU A 65 -5.084 6.331 -1.570 1.00 0.21 H new ATOM 0 HB3 LEU A 65 -5.106 4.777 -2.379 1.00 0.21 H new ATOM 0 HG LEU A 65 -3.487 7.166 -3.283 1.00 0.30 H new ATOM 0 HD11 LEU A 65 -1.583 5.872 -2.409 1.00 0.18 H new ATOM 0 HD12 LEU A 65 -2.746 6.268 -1.121 1.00 0.18 H new ATOM 0 HD13 LEU A 65 -2.707 4.628 -1.811 1.00 0.18 H new ATOM 0 HD21 LEU A 65 -2.365 5.538 -4.722 1.00 0.71 H new ATOM 0 HD22 LEU A 65 -3.491 4.274 -4.172 1.00 0.71 H new ATOM 0 HD23 LEU A 65 -4.099 5.664 -5.103 1.00 0.71 H new ATOM 928 N ALA A 66 -7.613 4.452 -3.137 1.00 0.21 N ATOM 929 CA ALA A 66 -8.701 3.714 -2.520 1.00 0.21 C ATOM 930 C ALA A 66 -8.719 3.959 -1.028 1.00 0.17 C ATOM 931 O ALA A 66 -7.671 3.995 -0.382 1.00 0.15 O ATOM 932 CB ALA A 66 -8.557 2.226 -2.759 1.00 0.23 C ATOM 0 H ALA A 66 -7.026 3.896 -3.759 1.00 0.21 H new ATOM 0 HA ALA A 66 -9.630 4.063 -2.971 1.00 0.21 H new ATOM 0 HB1 ALA A 66 -9.386 1.700 -2.285 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -8.566 2.027 -3.831 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -7.616 1.879 -2.333 1.00 0.23 H new ATOM 938 N LYS A 67 -9.903 4.103 -0.484 1.00 0.21 N ATOM 939 CA LYS A 67 -10.045 4.383 0.923 1.00 0.22 C ATOM 940 C LYS A 67 -10.678 3.198 1.625 1.00 0.29 C ATOM 941 O LYS A 67 -11.600 2.572 1.098 1.00 0.38 O ATOM 942 CB LYS A 67 -10.878 5.648 1.136 1.00 0.26 C ATOM 943 CG LYS A 67 -10.394 6.857 0.345 1.00 0.26 C ATOM 944 CD LYS A 67 -8.894 7.113 0.494 1.00 0.35 C ATOM 945 CE LYS A 67 -8.527 7.815 1.795 1.00 0.45 C ATOM 946 NZ LYS A 67 -9.236 9.112 1.950 1.00 0.20 N ATOM 0 H LYS A 67 -10.783 4.031 -0.995 1.00 0.21 H new ATOM 0 HA LYS A 67 -9.057 4.553 1.350 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -11.912 5.439 0.861 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -10.874 5.897 2.197 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -10.628 6.711 -0.709 1.00 0.26 H new ATOM 0 HG3 LYS A 67 -10.941 7.741 0.673 1.00 0.26 H new ATOM 0 HD2 LYS A 67 -8.364 6.162 0.440 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -8.551 7.717 -0.346 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -8.770 7.167 2.637 1.00 0.45 H new ATOM 0 HE3 LYS A 67 -7.451 7.985 1.824 1.00 0.45 H new ATOM 0 HZ1 LYS A 67 -8.655 9.759 2.520 1.00 0.20 H new ATOM 0 HZ2 LYS A 67 -9.403 9.530 1.013 1.00 0.20 H new ATOM 0 HZ3 LYS A 67 -10.147 8.955 2.426 1.00 0.20 H new ATOM 960 N ASP A 68 -10.168 2.879 2.800 1.00 0.30 N ATOM 961 CA ASP A 68 -10.670 1.749 3.555 1.00 0.42 C ATOM 962 C ASP A 68 -11.982 2.133 4.224 1.00 0.49 C ATOM 963 O ASP A 68 -12.114 3.261 4.707 1.00 0.64 O ATOM 964 CB ASP A 68 -9.625 1.302 4.584 1.00 0.50 C ATOM 965 CG ASP A 68 -10.083 0.152 5.435 1.00 1.21 C ATOM 966 OD1 ASP A 68 -9.754 -0.999 5.098 1.00 1.35 O ATOM 967 OD2 ASP A 68 -10.772 0.385 6.433 1.00 2.24 O ATOM 0 H ASP A 68 -9.407 3.387 3.251 1.00 0.30 H new ATOM 0 HA ASP A 68 -10.858 0.909 2.886 1.00 0.42 H new ATOM 0 HB2 ASP A 68 -8.711 1.018 4.063 1.00 0.50 H new ATOM 0 HB3 ASP A 68 -9.376 2.145 5.228 1.00 0.50 H new ATOM 972 N LYS A 69 -12.953 1.235 4.239 1.00 0.58 N ATOM 973 CA LYS A 69 -14.319 1.617 4.582 1.00 0.74 C ATOM 974 C LYS A 69 -14.432 2.118 6.018 1.00 0.70 C ATOM 975 O LYS A 69 -14.956 3.210 6.262 1.00 0.84 O ATOM 976 CB LYS A 69 -15.262 0.437 4.367 1.00 0.94 C ATOM 977 CG LYS A 69 -16.736 0.728 4.648 1.00 0.98 C ATOM 978 CD LYS A 69 -17.385 1.556 3.545 1.00 1.81 C ATOM 979 CE LYS A 69 -17.300 3.048 3.825 1.00 2.24 C ATOM 980 NZ LYS A 69 -18.098 3.441 5.016 1.00 3.13 N ATOM 0 H LYS A 69 -12.827 0.247 4.021 1.00 0.58 H new ATOM 0 HA LYS A 69 -14.603 2.439 3.924 1.00 0.74 H new ATOM 0 HB2 LYS A 69 -15.165 0.097 3.336 1.00 0.94 H new ATOM 0 HB3 LYS A 69 -14.941 -0.386 5.006 1.00 0.94 H new ATOM 0 HG2 LYS A 69 -17.275 -0.213 4.757 1.00 0.98 H new ATOM 0 HG3 LYS A 69 -16.825 1.258 5.596 1.00 0.98 H new ATOM 0 HD2 LYS A 69 -16.898 1.338 2.594 1.00 1.81 H new ATOM 0 HD3 LYS A 69 -18.431 1.266 3.442 1.00 1.81 H new ATOM 0 HE2 LYS A 69 -16.258 3.328 3.979 1.00 2.24 H new ATOM 0 HE3 LYS A 69 -17.653 3.600 2.954 1.00 2.24 H new ATOM 0 HZ1 LYS A 69 -18.352 4.447 4.947 1.00 3.13 H new ATOM 0 HZ2 LYS A 69 -18.964 2.867 5.058 1.00 3.13 H new ATOM 0 HZ3 LYS A 69 -17.537 3.284 5.877 1.00 3.13 H new ATOM 994 N SER A 70 -13.924 1.336 6.956 1.00 0.59 N ATOM 995 CA SER A 70 -14.097 1.641 8.368 1.00 0.65 C ATOM 996 C SER A 70 -12.818 2.160 9.011 1.00 0.70 C ATOM 997 O SER A 70 -12.861 2.933 9.970 1.00 0.87 O ATOM 998 CB SER A 70 -14.601 0.405 9.115 1.00 0.65 C ATOM 999 OG SER A 70 -13.802 -0.733 8.826 1.00 1.13 O ATOM 0 H SER A 70 -13.390 0.488 6.767 1.00 0.59 H new ATOM 0 HA SER A 70 -14.838 2.438 8.438 1.00 0.65 H new ATOM 0 HB2 SER A 70 -14.591 0.596 10.188 1.00 0.65 H new ATOM 0 HB3 SER A 70 -15.636 0.206 8.837 1.00 0.65 H new ATOM 0 HG SER A 70 -13.624 -0.772 7.863 1.00 1.13 H new ATOM 1005 N GLY A 71 -11.679 1.729 8.483 1.00 0.62 N ATOM 1006 CA GLY A 71 -10.413 2.016 9.118 1.00 0.73 C ATOM 1007 C GLY A 71 -10.194 1.120 10.318 1.00 0.69 C ATOM 1008 O GLY A 71 -9.261 1.322 11.096 1.00 0.76 O ATOM 0 H GLY A 71 -11.613 1.184 7.623 1.00 0.62 H new ATOM 0 HA2 GLY A 71 -9.603 1.876 8.402 1.00 0.73 H new ATOM 0 HA3 GLY A 71 -10.386 3.060 9.429 1.00 0.73 H new ATOM 1012 N ASN A 72 -11.043 0.099 10.445 1.00 0.63 N ATOM 1013 CA ASN A 72 -11.054 -0.764 11.625 1.00 0.68 C ATOM 1014 C ASN A 72 -9.865 -1.725 11.609 1.00 0.62 C ATOM 1015 O ASN A 72 -9.614 -2.452 12.570 1.00 0.61 O ATOM 1016 CB ASN A 72 -12.373 -1.546 11.671 1.00 0.86 C ATOM 1017 CG ASN A 72 -12.567 -2.323 12.960 1.00 1.31 C ATOM 1018 OD1 ASN A 72 -12.080 -1.931 14.018 1.00 2.16 O ATOM 1019 ND2 ASN A 72 -13.298 -3.423 12.878 1.00 1.67 N ATOM 0 H ASN A 72 -11.736 -0.151 9.739 1.00 0.63 H new ATOM 0 HA ASN A 72 -10.970 -0.143 12.517 1.00 0.68 H new ATOM 0 HB2 ASN A 72 -13.203 -0.851 11.545 1.00 0.86 H new ATOM 0 HB3 ASN A 72 -12.406 -2.238 10.830 1.00 0.86 H new ATOM 0 HD21 ASN A 72 -13.476 -3.981 13.713 1.00 1.67 H new ATOM 0 HD22 ASN A 72 -13.684 -3.713 11.979 1.00 1.67 H new ATOM 1026 N SER A 73 -9.130 -1.707 10.513 1.00 0.68 N ATOM 1027 CA SER A 73 -8.015 -2.612 10.315 1.00 0.70 C ATOM 1028 C SER A 73 -6.693 -2.000 10.775 1.00 0.61 C ATOM 1029 O SER A 73 -5.666 -2.681 10.810 1.00 0.64 O ATOM 1030 CB SER A 73 -7.935 -2.952 8.837 1.00 0.92 C ATOM 1031 OG SER A 73 -8.091 -1.769 8.064 1.00 1.74 O ATOM 0 H SER A 73 -9.289 -1.065 9.736 1.00 0.68 H new ATOM 0 HA SER A 73 -8.181 -3.508 10.914 1.00 0.70 H new ATOM 0 HB2 SER A 73 -6.977 -3.420 8.613 1.00 0.92 H new ATOM 0 HB3 SER A 73 -8.710 -3.673 8.577 1.00 0.92 H new ATOM 0 HG SER A 73 -7.243 -1.279 8.041 1.00 1.74 H new ATOM 1037 N SER A 74 -6.737 -0.712 11.127 1.00 0.56 N ATOM 1038 CA SER A 74 -5.537 0.046 11.468 1.00 0.56 C ATOM 1039 C SER A 74 -4.598 0.091 10.265 1.00 0.57 C ATOM 1040 O SER A 74 -3.410 -0.221 10.364 1.00 1.03 O ATOM 1041 CB SER A 74 -4.837 -0.558 12.696 1.00 0.67 C ATOM 1042 OG SER A 74 -3.697 0.200 13.070 1.00 1.30 O ATOM 0 H SER A 74 -7.600 -0.171 11.182 1.00 0.56 H new ATOM 0 HA SER A 74 -5.824 1.066 11.725 1.00 0.56 H new ATOM 0 HB2 SER A 74 -5.537 -0.601 13.531 1.00 0.67 H new ATOM 0 HB3 SER A 74 -4.538 -1.583 12.478 1.00 0.67 H new ATOM 0 HG SER A 74 -3.097 0.290 12.300 1.00 1.30 H new ATOM 1048 N THR A 75 -5.151 0.518 9.137 1.00 0.33 N ATOM 1049 CA THR A 75 -4.451 0.515 7.858 1.00 0.26 C ATOM 1050 C THR A 75 -3.251 1.470 7.866 1.00 0.25 C ATOM 1051 O THR A 75 -2.421 1.440 6.957 1.00 0.24 O ATOM 1052 CB THR A 75 -5.431 0.891 6.724 1.00 0.25 C ATOM 1053 OG1 THR A 75 -4.851 0.660 5.436 1.00 0.32 O ATOM 1054 CG2 THR A 75 -5.840 2.348 6.832 1.00 0.28 C ATOM 0 H THR A 75 -6.104 0.878 9.083 1.00 0.33 H new ATOM 0 HA THR A 75 -4.067 -0.490 7.686 1.00 0.26 H new ATOM 0 HB THR A 75 -6.310 0.256 6.832 1.00 0.25 H new ATOM 0 HG1 THR A 75 -5.324 1.194 4.764 1.00 0.32 H new ATOM 0 HG21 THR A 75 -6.530 2.593 6.025 1.00 0.28 H new ATOM 0 HG22 THR A 75 -6.329 2.519 7.791 1.00 0.28 H new ATOM 0 HG23 THR A 75 -4.956 2.981 6.758 1.00 0.28 H new ATOM 1062 N SER A 76 -3.175 2.323 8.894 1.00 0.27 N ATOM 1063 CA SER A 76 -2.061 3.260 9.078 1.00 0.29 C ATOM 1064 C SER A 76 -2.122 4.405 8.062 1.00 0.24 C ATOM 1065 O SER A 76 -1.823 5.556 8.388 1.00 0.29 O ATOM 1066 CB SER A 76 -0.715 2.526 8.996 1.00 0.35 C ATOM 1067 OG SER A 76 -0.693 1.409 9.873 1.00 0.94 O ATOM 0 H SER A 76 -3.886 2.383 9.623 1.00 0.27 H new ATOM 0 HA SER A 76 -2.153 3.696 10.073 1.00 0.29 H new ATOM 0 HB2 SER A 76 -0.539 2.194 7.973 1.00 0.35 H new ATOM 0 HB3 SER A 76 0.093 3.211 9.252 1.00 0.35 H new ATOM 0 HG SER A 76 0.173 0.955 9.803 1.00 0.94 H new ATOM 1073 N ALA A 77 -2.509 4.087 6.834 1.00 0.17 N ATOM 1074 CA ALA A 77 -2.739 5.100 5.818 1.00 0.15 C ATOM 1075 C ALA A 77 -4.034 5.820 6.113 1.00 0.16 C ATOM 1076 O ALA A 77 -5.078 5.187 6.220 1.00 0.24 O ATOM 1077 CB ALA A 77 -2.811 4.475 4.442 1.00 0.14 C ATOM 0 H ALA A 77 -2.670 3.131 6.518 1.00 0.17 H new ATOM 0 HA ALA A 77 -1.908 5.805 5.835 1.00 0.15 H new ATOM 0 HB1 ALA A 77 -2.984 5.252 3.698 1.00 0.14 H new ATOM 0 HB2 ALA A 77 -1.872 3.966 4.224 1.00 0.14 H new ATOM 0 HB3 ALA A 77 -3.629 3.755 4.412 1.00 0.14 H new ATOM 1083 N PRO A 78 -3.987 7.144 6.248 1.00 0.15 N ATOM 1084 CA PRO A 78 -5.159 7.927 6.641 1.00 0.16 C ATOM 1085 C PRO A 78 -6.380 7.636 5.763 1.00 0.16 C ATOM 1086 O PRO A 78 -6.488 8.105 4.635 1.00 0.17 O ATOM 1087 CB PRO A 78 -4.673 9.362 6.446 1.00 0.19 C ATOM 1088 CG PRO A 78 -3.205 9.287 6.639 1.00 0.20 C ATOM 1089 CD PRO A 78 -2.796 7.983 6.041 1.00 0.17 C ATOM 0 HA PRO A 78 -5.495 7.703 7.653 1.00 0.16 H new ATOM 0 HB2 PRO A 78 -4.924 9.734 5.453 1.00 0.19 H new ATOM 0 HB3 PRO A 78 -5.134 10.038 7.166 1.00 0.19 H new ATOM 0 HG2 PRO A 78 -2.701 10.120 6.149 1.00 0.20 H new ATOM 0 HG3 PRO A 78 -2.944 9.334 7.696 1.00 0.20 H new ATOM 0 HD2 PRO A 78 -2.549 8.082 4.984 1.00 0.17 H new ATOM 0 HD3 PRO A 78 -1.918 7.568 6.536 1.00 0.17 H new ATOM 1097 N GLY A 79 -7.317 6.893 6.329 1.00 0.18 N ATOM 1098 CA GLY A 79 -8.531 6.508 5.626 1.00 0.22 C ATOM 1099 C GLY A 79 -8.309 5.688 4.354 1.00 0.17 C ATOM 1100 O GLY A 79 -9.259 5.438 3.628 1.00 0.20 O ATOM 0 H GLY A 79 -7.259 6.541 7.284 1.00 0.18 H new ATOM 0 HA2 GLY A 79 -9.160 5.933 6.306 1.00 0.22 H new ATOM 0 HA3 GLY A 79 -9.084 7.411 5.367 1.00 0.22 H new ATOM 1104 N SER A 80 -7.085 5.249 4.085 1.00 0.17 N ATOM 1105 CA SER A 80 -6.764 4.598 2.809 1.00 0.14 C ATOM 1106 C SER A 80 -6.777 3.085 2.891 1.00 0.21 C ATOM 1107 O SER A 80 -6.667 2.492 3.957 1.00 0.49 O ATOM 1108 CB SER A 80 -5.402 5.052 2.328 1.00 0.18 C ATOM 1109 OG SER A 80 -5.495 5.761 1.104 1.00 0.58 O ATOM 0 H SER A 80 -6.297 5.329 4.728 1.00 0.17 H new ATOM 0 HA SER A 80 -7.543 4.894 2.107 1.00 0.14 H new ATOM 0 HB2 SER A 80 -4.941 5.687 3.084 1.00 0.18 H new ATOM 0 HB3 SER A 80 -4.752 4.186 2.200 1.00 0.18 H new ATOM 0 HG SER A 80 -6.148 5.321 0.520 1.00 0.58 H new ATOM 1115 N ALA A 81 -6.883 2.479 1.721 1.00 0.14 N ATOM 1116 CA ALA A 81 -6.989 1.041 1.593 1.00 0.17 C ATOM 1117 C ALA A 81 -5.644 0.408 1.269 1.00 0.17 C ATOM 1118 O ALA A 81 -5.555 -0.500 0.444 1.00 0.21 O ATOM 1119 CB ALA A 81 -8.006 0.709 0.518 1.00 0.21 C ATOM 0 H ALA A 81 -6.898 2.976 0.830 1.00 0.14 H new ATOM 0 HA ALA A 81 -7.317 0.630 2.548 1.00 0.17 H new ATOM 0 HB1 ALA A 81 -8.089 -0.373 0.418 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -8.976 1.124 0.794 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -7.685 1.138 -0.431 1.00 0.21 H new ATOM 1125 N HIS A 82 -4.591 0.901 1.896 1.00 0.18 N ATOM 1126 CA HIS A 82 -3.288 0.282 1.772 1.00 0.19 C ATOM 1127 C HIS A 82 -2.537 0.320 3.089 1.00 0.19 C ATOM 1128 O HIS A 82 -2.342 1.383 3.673 1.00 0.19 O ATOM 1129 CB HIS A 82 -2.456 0.957 0.680 1.00 0.19 C ATOM 1130 CG HIS A 82 -2.648 0.398 -0.693 1.00 0.45 C ATOM 1131 ND1 HIS A 82 -2.028 -0.754 -1.125 1.00 0.66 N ATOM 1132 CD2 HIS A 82 -3.377 0.850 -1.743 1.00 0.65 C ATOM 1133 CE1 HIS A 82 -2.363 -0.985 -2.379 1.00 0.88 C ATOM 1134 NE2 HIS A 82 -3.182 -0.030 -2.779 1.00 0.88 N ATOM 0 H HIS A 82 -4.615 1.727 2.495 1.00 0.18 H new ATOM 0 HA HIS A 82 -3.450 -0.759 1.492 1.00 0.19 H new ATOM 0 HB2 HIS A 82 -2.700 2.019 0.662 1.00 0.19 H new ATOM 0 HB3 HIS A 82 -1.402 0.877 0.945 1.00 0.19 H new ATOM 0 HD1 HIS A 82 -1.407 -1.337 -0.563 1.00 0.66 H new ATOM 0 HD2 HIS A 82 -3.995 1.736 -1.761 1.00 0.65 H new ATOM 0 HE1 HIS A 82 -2.024 -1.817 -2.979 1.00 0.88 H new ATOM 1143 N GLN A 83 -2.099 -0.850 3.530 1.00 0.22 N ATOM 1144 CA GLN A 83 -1.304 -0.975 4.735 1.00 0.25 C ATOM 1145 C GLN A 83 -0.189 -1.977 4.469 1.00 0.22 C ATOM 1146 O GLN A 83 -0.438 -3.092 4.039 1.00 0.20 O ATOM 1147 CB GLN A 83 -2.174 -1.406 5.933 1.00 0.34 C ATOM 1148 CG GLN A 83 -2.538 -2.881 5.972 1.00 0.74 C ATOM 1149 CD GLN A 83 -3.127 -3.308 7.306 1.00 1.25 C ATOM 1150 OE1 GLN A 83 -3.755 -2.518 8.009 1.00 1.78 O ATOM 1151 NE2 GLN A 83 -2.930 -4.567 7.663 1.00 2.09 N ATOM 0 H GLN A 83 -2.286 -1.736 3.061 1.00 0.22 H new ATOM 0 HA GLN A 83 -0.872 -0.009 4.995 1.00 0.25 H new ATOM 0 HB2 GLN A 83 -1.647 -1.154 6.853 1.00 0.34 H new ATOM 0 HB3 GLN A 83 -3.094 -0.821 5.922 1.00 0.34 H new ATOM 0 HG2 GLN A 83 -3.254 -3.095 5.179 1.00 0.74 H new ATOM 0 HG3 GLN A 83 -1.648 -3.476 5.766 1.00 0.74 H new ATOM 0 HE21 GLN A 83 -2.404 -5.193 7.054 1.00 2.09 H new ATOM 0 HE22 GLN A 83 -3.304 -4.911 8.547 1.00 2.09 H new ATOM 1160 N ILE A 84 1.041 -1.562 4.652 1.00 0.23 N ATOM 1161 CA ILE A 84 2.166 -2.396 4.326 1.00 0.21 C ATOM 1162 C ILE A 84 2.601 -3.271 5.499 1.00 0.25 C ATOM 1163 O ILE A 84 2.761 -2.797 6.626 1.00 0.29 O ATOM 1164 CB ILE A 84 3.302 -1.505 3.824 1.00 0.24 C ATOM 1165 CG1 ILE A 84 3.035 -1.197 2.358 1.00 0.21 C ATOM 1166 CG2 ILE A 84 4.668 -2.147 4.024 1.00 0.29 C ATOM 1167 CD1 ILE A 84 3.102 0.271 2.014 1.00 0.20 C ATOM 0 H ILE A 84 1.286 -0.646 5.027 1.00 0.23 H new ATOM 0 HA ILE A 84 1.876 -3.092 3.539 1.00 0.21 H new ATOM 0 HB ILE A 84 3.327 -0.582 4.403 1.00 0.24 H new ATOM 0 HG12 ILE A 84 3.759 -1.736 1.747 1.00 0.21 H new ATOM 0 HG13 ILE A 84 2.049 -1.577 2.092 1.00 0.21 H new ATOM 0 HG21 ILE A 84 5.443 -1.477 3.652 1.00 0.29 H new ATOM 0 HG22 ILE A 84 4.830 -2.335 5.085 1.00 0.29 H new ATOM 0 HG23 ILE A 84 4.711 -3.089 3.478 1.00 0.29 H new ATOM 0 HD11 ILE A 84 2.900 0.405 0.951 1.00 0.20 H new ATOM 0 HD12 ILE A 84 2.358 0.815 2.596 1.00 0.20 H new ATOM 0 HD13 ILE A 84 4.096 0.654 2.246 1.00 0.20 H new ATOM 1179 N ASP A 85 2.782 -4.553 5.210 1.00 0.28 N ATOM 1180 CA ASP A 85 3.207 -5.523 6.207 1.00 0.32 C ATOM 1181 C ASP A 85 4.701 -5.427 6.398 1.00 0.38 C ATOM 1182 O ASP A 85 5.466 -5.736 5.495 1.00 0.37 O ATOM 1183 CB ASP A 85 2.858 -6.946 5.771 1.00 0.27 C ATOM 1184 CG ASP A 85 3.221 -7.974 6.822 1.00 0.36 C ATOM 1185 OD1 ASP A 85 2.455 -8.131 7.792 1.00 0.46 O ATOM 1186 OD2 ASP A 85 4.273 -8.629 6.682 1.00 0.54 O ATOM 0 H ASP A 85 2.639 -4.948 4.280 1.00 0.28 H new ATOM 0 HA ASP A 85 2.688 -5.302 7.140 1.00 0.32 H new ATOM 0 HB2 ASP A 85 1.791 -7.007 5.559 1.00 0.27 H new ATOM 0 HB3 ASP A 85 3.381 -7.178 4.843 1.00 0.27 H new ATOM 1191 N THR A 86 5.114 -4.994 7.560 1.00 0.49 N ATOM 1192 CA THR A 86 6.514 -4.787 7.829 1.00 0.58 C ATOM 1193 C THR A 86 7.188 -6.056 8.332 1.00 0.57 C ATOM 1194 O THR A 86 8.415 -6.165 8.325 1.00 0.63 O ATOM 1195 CB THR A 86 6.673 -3.652 8.832 1.00 0.75 C ATOM 1196 OG1 THR A 86 5.819 -3.882 9.960 1.00 0.81 O ATOM 1197 CG2 THR A 86 6.301 -2.348 8.159 1.00 0.82 C ATOM 0 H THR A 86 4.496 -4.776 8.341 1.00 0.49 H new ATOM 0 HA THR A 86 7.008 -4.517 6.896 1.00 0.58 H new ATOM 0 HB THR A 86 7.706 -3.604 9.177 1.00 0.75 H new ATOM 0 HG1 THR A 86 5.924 -3.151 10.605 1.00 0.81 H new ATOM 0 HG21 THR A 86 6.411 -1.528 8.869 1.00 0.82 H new ATOM 0 HG22 THR A 86 6.957 -2.179 7.305 1.00 0.82 H new ATOM 0 HG23 THR A 86 5.267 -2.396 7.818 1.00 0.82 H new ATOM 1205 N THR A 87 6.377 -7.008 8.760 1.00 0.52 N ATOM 1206 CA THR A 87 6.871 -8.297 9.205 1.00 0.54 C ATOM 1207 C THR A 87 7.573 -9.037 8.066 1.00 0.50 C ATOM 1208 O THR A 87 8.745 -9.407 8.178 1.00 0.54 O ATOM 1209 CB THR A 87 5.716 -9.153 9.756 1.00 0.58 C ATOM 1210 OG1 THR A 87 5.071 -8.460 10.834 1.00 0.71 O ATOM 1211 CG2 THR A 87 6.223 -10.498 10.243 1.00 0.58 C ATOM 0 H THR A 87 5.363 -6.909 8.808 1.00 0.52 H new ATOM 0 HA THR A 87 7.595 -8.124 10.001 1.00 0.54 H new ATOM 0 HB THR A 87 5.001 -9.325 8.951 1.00 0.58 H new ATOM 0 HG1 THR A 87 4.336 -9.007 11.181 1.00 0.71 H new ATOM 0 HG21 THR A 87 5.388 -11.084 10.627 1.00 0.58 H new ATOM 0 HG22 THR A 87 6.691 -11.032 9.416 1.00 0.58 H new ATOM 0 HG23 THR A 87 6.955 -10.345 11.036 1.00 0.58 H new ATOM 1219 N ASN A 88 6.861 -9.242 6.966 1.00 0.47 N ATOM 1220 CA ASN A 88 7.431 -9.915 5.803 1.00 0.53 C ATOM 1221 C ASN A 88 7.912 -8.893 4.784 1.00 0.52 C ATOM 1222 O ASN A 88 8.625 -9.228 3.838 1.00 0.64 O ATOM 1223 CB ASN A 88 6.407 -10.853 5.155 1.00 0.59 C ATOM 1224 CG ASN A 88 6.026 -12.031 6.035 1.00 0.76 C ATOM 1225 OD1 ASN A 88 6.052 -11.947 7.263 1.00 1.26 O ATOM 1226 ND2 ASN A 88 5.666 -13.142 5.412 1.00 1.50 N ATOM 0 H ASN A 88 5.889 -8.953 6.853 1.00 0.47 H new ATOM 0 HA ASN A 88 8.279 -10.510 6.141 1.00 0.53 H new ATOM 0 HB2 ASN A 88 5.509 -10.286 4.911 1.00 0.59 H new ATOM 0 HB3 ASN A 88 6.812 -11.227 4.215 1.00 0.59 H new ATOM 0 HD21 ASN A 88 5.398 -13.965 5.951 1.00 1.50 H new ATOM 0 HD22 ASN A 88 5.656 -13.175 4.393 1.00 1.50 H new ATOM 1233 N HIS A 89 7.488 -7.646 4.996 1.00 0.47 N ATOM 1234 CA HIS A 89 7.854 -6.511 4.159 1.00 0.53 C ATOM 1235 C HIS A 89 7.120 -6.578 2.829 1.00 0.43 C ATOM 1236 O HIS A 89 7.720 -6.539 1.754 1.00 0.45 O ATOM 1237 CB HIS A 89 9.357 -6.410 3.945 1.00 0.72 C ATOM 1238 CG HIS A 89 10.120 -5.911 5.135 1.00 0.91 C ATOM 1239 ND1 HIS A 89 11.245 -6.533 5.626 1.00 1.28 N ATOM 1240 CD2 HIS A 89 9.939 -4.811 5.903 1.00 0.96 C ATOM 1241 CE1 HIS A 89 11.723 -5.838 6.642 1.00 1.48 C ATOM 1242 NE2 HIS A 89 10.949 -4.788 6.833 1.00 1.26 N ATOM 0 H HIS A 89 6.870 -7.396 5.768 1.00 0.47 H new ATOM 0 HA HIS A 89 7.550 -5.606 4.686 1.00 0.53 H new ATOM 0 HB2 HIS A 89 9.739 -7.393 3.670 1.00 0.72 H new ATOM 0 HB3 HIS A 89 9.548 -5.746 3.102 1.00 0.72 H new ATOM 0 HD2 HIS A 89 9.146 -4.085 5.803 1.00 0.96 H new ATOM 0 HE1 HIS A 89 12.601 -6.088 7.220 1.00 1.48 H new ATOM 0 HE2 HIS A 89 11.079 -4.077 7.552 1.00 1.26 H new ATOM 1251 N LYS A 90 5.808 -6.661 2.933 1.00 0.35 N ATOM 1252 CA LYS A 90 4.931 -6.762 1.788 1.00 0.28 C ATOM 1253 C LYS A 90 4.095 -5.498 1.633 1.00 0.23 C ATOM 1254 O LYS A 90 3.728 -4.859 2.616 1.00 0.26 O ATOM 1255 CB LYS A 90 4.002 -7.948 1.999 1.00 0.30 C ATOM 1256 CG LYS A 90 4.574 -9.290 1.583 1.00 0.33 C ATOM 1257 CD LYS A 90 3.571 -10.403 1.839 1.00 0.32 C ATOM 1258 CE LYS A 90 3.094 -10.390 3.283 1.00 0.34 C ATOM 1259 NZ LYS A 90 2.073 -11.436 3.548 1.00 0.44 N ATOM 0 H LYS A 90 5.317 -6.660 3.827 1.00 0.35 H new ATOM 0 HA LYS A 90 5.532 -6.892 0.888 1.00 0.28 H new ATOM 0 HB2 LYS A 90 3.732 -7.996 3.054 1.00 0.30 H new ATOM 0 HB3 LYS A 90 3.082 -7.773 1.442 1.00 0.30 H new ATOM 0 HG2 LYS A 90 4.837 -9.267 0.526 1.00 0.33 H new ATOM 0 HG3 LYS A 90 5.492 -9.487 2.136 1.00 0.33 H new ATOM 0 HD2 LYS A 90 2.718 -10.289 1.170 1.00 0.32 H new ATOM 0 HD3 LYS A 90 4.027 -11.367 1.612 1.00 0.32 H new ATOM 0 HE2 LYS A 90 3.946 -10.540 3.946 1.00 0.34 H new ATOM 0 HE3 LYS A 90 2.677 -9.411 3.517 1.00 0.34 H new ATOM 0 HZ1 LYS A 90 1.778 -11.389 4.544 1.00 0.44 H new ATOM 0 HZ2 LYS A 90 1.248 -11.279 2.935 1.00 0.44 H new ATOM 0 HZ3 LYS A 90 2.477 -12.374 3.351 1.00 0.44 H new ATOM 1273 N LEU A 91 3.785 -5.156 0.399 1.00 0.20 N ATOM 1274 CA LEU A 91 2.884 -4.053 0.116 1.00 0.17 C ATOM 1275 C LEU A 91 1.476 -4.615 -0.004 1.00 0.14 C ATOM 1276 O LEU A 91 1.109 -5.226 -1.004 1.00 0.17 O ATOM 1277 CB LEU A 91 3.332 -3.308 -1.157 1.00 0.26 C ATOM 1278 CG LEU A 91 2.523 -2.068 -1.620 1.00 0.18 C ATOM 1279 CD1 LEU A 91 1.253 -1.820 -0.819 1.00 0.19 C ATOM 1280 CD2 LEU A 91 3.388 -0.836 -1.572 1.00 0.16 C ATOM 0 H LEU A 91 4.145 -5.628 -0.430 1.00 0.20 H new ATOM 0 HA LEU A 91 2.901 -3.320 0.922 1.00 0.17 H new ATOM 0 HB2 LEU A 91 4.365 -2.992 -1.008 1.00 0.26 H new ATOM 0 HB3 LEU A 91 3.333 -4.026 -1.977 1.00 0.26 H new ATOM 0 HG LEU A 91 2.211 -2.285 -2.642 1.00 0.18 H new ATOM 0 HD11 LEU A 91 0.746 -0.936 -1.205 1.00 0.19 H new ATOM 0 HD12 LEU A 91 0.594 -2.684 -0.906 1.00 0.19 H new ATOM 0 HD13 LEU A 91 1.509 -1.663 0.229 1.00 0.19 H new ATOM 0 HD21 LEU A 91 2.809 0.028 -1.899 1.00 0.16 H new ATOM 0 HD22 LEU A 91 3.735 -0.675 -0.551 1.00 0.16 H new ATOM 0 HD23 LEU A 91 4.246 -0.968 -2.231 1.00 0.16 H new ATOM 1292 N ILE A 92 0.711 -4.392 1.043 1.00 0.14 N ATOM 1293 CA ILE A 92 -0.647 -4.867 1.156 1.00 0.16 C ATOM 1294 C ILE A 92 -1.636 -3.743 0.891 1.00 0.17 C ATOM 1295 O ILE A 92 -1.356 -2.571 1.155 1.00 0.17 O ATOM 1296 CB ILE A 92 -0.867 -5.421 2.582 1.00 0.19 C ATOM 1297 CG1 ILE A 92 -0.320 -6.835 2.701 1.00 0.21 C ATOM 1298 CG2 ILE A 92 -2.325 -5.385 3.014 1.00 0.23 C ATOM 1299 CD1 ILE A 92 1.156 -6.882 2.935 1.00 0.22 C ATOM 0 H ILE A 92 1.025 -3.863 1.857 1.00 0.14 H new ATOM 0 HA ILE A 92 -0.811 -5.651 0.416 1.00 0.16 H new ATOM 0 HB ILE A 92 -0.318 -4.763 3.256 1.00 0.19 H new ATOM 0 HG12 ILE A 92 -0.827 -7.345 3.520 1.00 0.21 H new ATOM 0 HG13 ILE A 92 -0.554 -7.385 1.790 1.00 0.21 H new ATOM 0 HG21 ILE A 92 -2.415 -5.787 4.023 1.00 0.23 H new ATOM 0 HG22 ILE A 92 -2.683 -4.356 3.000 1.00 0.23 H new ATOM 0 HG23 ILE A 92 -2.922 -5.987 2.329 1.00 0.23 H new ATOM 0 HD11 ILE A 92 1.480 -7.920 3.010 1.00 0.22 H new ATOM 0 HD12 ILE A 92 1.672 -6.400 2.104 1.00 0.22 H new ATOM 0 HD13 ILE A 92 1.394 -6.360 3.862 1.00 0.22 H new ATOM 1311 N SER A 93 -2.770 -4.085 0.318 1.00 0.20 N ATOM 1312 CA SER A 93 -3.897 -3.191 0.348 1.00 0.26 C ATOM 1313 C SER A 93 -4.866 -3.703 1.385 1.00 0.37 C ATOM 1314 O SER A 93 -5.118 -4.896 1.448 1.00 0.61 O ATOM 1315 CB SER A 93 -4.583 -3.103 -1.006 1.00 0.40 C ATOM 1316 OG SER A 93 -5.311 -4.275 -1.297 1.00 1.41 O ATOM 0 H SER A 93 -2.931 -4.967 -0.168 1.00 0.20 H new ATOM 0 HA SER A 93 -3.552 -2.187 0.597 1.00 0.26 H new ATOM 0 HB2 SER A 93 -5.254 -2.244 -1.019 1.00 0.40 H new ATOM 0 HB3 SER A 93 -3.836 -2.936 -1.782 1.00 0.40 H new ATOM 0 HG SER A 93 -6.231 -4.177 -0.975 1.00 1.41 H new ATOM 1322 N THR A 94 -5.382 -2.843 2.219 1.00 0.34 N ATOM 1323 CA THR A 94 -6.355 -3.286 3.175 1.00 0.38 C ATOM 1324 C THR A 94 -7.680 -2.597 2.954 1.00 0.42 C ATOM 1325 O THR A 94 -7.803 -1.383 3.086 1.00 0.49 O ATOM 1326 CB THR A 94 -5.866 -3.129 4.624 1.00 0.39 C ATOM 1327 OG1 THR A 94 -4.950 -4.193 4.911 1.00 0.45 O ATOM 1328 CG2 THR A 94 -7.034 -3.179 5.595 1.00 0.48 C ATOM 0 H THR A 94 -5.150 -1.850 2.256 1.00 0.34 H new ATOM 0 HA THR A 94 -6.501 -4.354 3.015 1.00 0.38 H new ATOM 0 HB THR A 94 -5.374 -2.163 4.738 1.00 0.39 H new ATOM 0 HG1 THR A 94 -5.104 -4.521 5.822 1.00 0.45 H new ATOM 0 HG21 THR A 94 -6.665 -3.066 6.614 1.00 0.48 H new ATOM 0 HG22 THR A 94 -7.730 -2.371 5.369 1.00 0.48 H new ATOM 0 HG23 THR A 94 -7.546 -4.136 5.499 1.00 0.48 H new ATOM 1336 N PHE A 95 -8.647 -3.396 2.551 1.00 0.43 N ATOM 1337 CA PHE A 95 -9.998 -2.931 2.360 1.00 0.50 C ATOM 1338 C PHE A 95 -10.902 -3.562 3.382 1.00 0.53 C ATOM 1339 O PHE A 95 -11.151 -4.757 3.294 1.00 0.55 O ATOM 1340 CB PHE A 95 -10.523 -3.340 0.997 1.00 0.55 C ATOM 1341 CG PHE A 95 -11.851 -2.709 0.700 1.00 0.77 C ATOM 1342 CD1 PHE A 95 -13.038 -3.361 1.018 1.00 0.94 C ATOM 1343 CD2 PHE A 95 -11.913 -1.444 0.141 1.00 0.90 C ATOM 1344 CE1 PHE A 95 -14.251 -2.756 0.779 1.00 1.16 C ATOM 1345 CE2 PHE A 95 -13.128 -0.840 -0.104 1.00 1.13 C ATOM 1346 CZ PHE A 95 -14.298 -1.495 0.217 1.00 1.23 C ATOM 0 H PHE A 95 -8.514 -4.387 2.348 1.00 0.43 H new ATOM 0 HA PHE A 95 -9.987 -1.845 2.453 1.00 0.50 H new ATOM 0 HB2 PHE A 95 -9.804 -3.053 0.229 1.00 0.55 H new ATOM 0 HB3 PHE A 95 -10.618 -4.425 0.955 1.00 0.55 H new ATOM 0 HD1 PHE A 95 -13.008 -4.348 1.455 1.00 0.94 H new ATOM 0 HD2 PHE A 95 -10.999 -0.924 -0.106 1.00 0.90 H new ATOM 0 HE1 PHE A 95 -15.168 -3.268 1.031 1.00 1.16 H new ATOM 0 HE2 PHE A 95 -13.163 0.145 -0.547 1.00 1.13 H new ATOM 0 HZ PHE A 95 -15.251 -1.022 0.029 1.00 1.23 H new ATOM 1356 N THR A 96 -11.413 -2.795 4.321 1.00 0.60 N ATOM 1357 CA THR A 96 -12.340 -3.352 5.270 1.00 0.69 C ATOM 1358 C THR A 96 -13.733 -3.419 4.682 1.00 0.86 C ATOM 1359 O THR A 96 -14.356 -2.397 4.394 1.00 1.02 O ATOM 1360 CB THR A 96 -12.403 -2.571 6.588 1.00 0.79 C ATOM 1361 OG1 THR A 96 -12.667 -1.187 6.350 1.00 1.39 O ATOM 1362 CG2 THR A 96 -11.107 -2.736 7.336 1.00 0.74 C ATOM 0 H THR A 96 -11.205 -1.804 4.444 1.00 0.60 H new ATOM 0 HA THR A 96 -11.968 -4.352 5.491 1.00 0.69 H new ATOM 0 HB THR A 96 -13.219 -2.969 7.191 1.00 0.79 H new ATOM 0 HG1 THR A 96 -11.951 -0.645 6.743 1.00 1.39 H new ATOM 0 HG21 THR A 96 -11.154 -2.180 8.272 1.00 0.74 H new ATOM 0 HG22 THR A 96 -10.942 -3.792 7.549 1.00 0.74 H new ATOM 0 HG23 THR A 96 -10.286 -2.355 6.729 1.00 0.74 H new ATOM 1370 N PRO A 97 -14.217 -4.632 4.445 1.00 0.92 N ATOM 1371 CA PRO A 97 -15.594 -4.851 4.050 1.00 1.14 C ATOM 1372 C PRO A 97 -16.552 -4.328 5.116 1.00 1.26 C ATOM 1373 O PRO A 97 -16.165 -4.133 6.270 1.00 1.22 O ATOM 1374 CB PRO A 97 -15.712 -6.368 3.919 1.00 1.19 C ATOM 1375 CG PRO A 97 -14.468 -6.954 4.491 1.00 1.04 C ATOM 1376 CD PRO A 97 -13.439 -5.873 4.516 1.00 0.83 C ATOM 0 HA PRO A 97 -15.849 -4.330 3.127 1.00 1.14 H new ATOM 0 HB2 PRO A 97 -16.590 -6.734 4.451 1.00 1.19 H new ATOM 0 HB3 PRO A 97 -15.829 -6.657 2.874 1.00 1.19 H new ATOM 0 HG2 PRO A 97 -14.650 -7.335 5.496 1.00 1.04 H new ATOM 0 HG3 PRO A 97 -14.127 -7.795 3.888 1.00 1.04 H new ATOM 0 HD2 PRO A 97 -12.839 -5.915 5.425 1.00 0.83 H new ATOM 0 HD3 PRO A 97 -12.750 -5.960 3.676 1.00 0.83 H new ATOM 1384 N SER A 98 -17.803 -4.121 4.723 1.00 1.46 N ATOM 1385 CA SER A 98 -18.818 -3.562 5.608 1.00 1.59 C ATOM 1386 C SER A 98 -19.014 -4.432 6.848 1.00 1.54 C ATOM 1387 O SER A 98 -19.548 -3.978 7.862 1.00 1.61 O ATOM 1388 CB SER A 98 -20.141 -3.405 4.851 1.00 1.88 C ATOM 1389 OG SER A 98 -21.163 -2.880 5.684 1.00 2.35 O ATOM 0 H SER A 98 -18.142 -4.335 3.785 1.00 1.46 H new ATOM 0 HA SER A 98 -18.477 -2.582 5.941 1.00 1.59 H new ATOM 0 HB2 SER A 98 -19.995 -2.746 3.995 1.00 1.88 H new ATOM 0 HB3 SER A 98 -20.453 -4.373 4.458 1.00 1.88 H new ATOM 0 HG SER A 98 -21.992 -2.792 5.169 1.00 2.35 H new ATOM 1395 N ASN A 99 -18.575 -5.679 6.761 1.00 1.51 N ATOM 1396 CA ASN A 99 -18.670 -6.608 7.876 1.00 1.59 C ATOM 1397 C ASN A 99 -17.567 -6.383 8.900 1.00 1.49 C ATOM 1398 O ASN A 99 -17.695 -6.757 10.066 1.00 1.65 O ATOM 1399 CB ASN A 99 -18.547 -8.032 7.363 1.00 1.69 C ATOM 1400 CG ASN A 99 -19.815 -8.553 6.721 1.00 1.99 C ATOM 1401 OD1 ASN A 99 -20.922 -8.163 7.089 1.00 2.33 O ATOM 1402 ND2 ASN A 99 -19.657 -9.434 5.749 1.00 2.36 N ATOM 0 H ASN A 99 -18.147 -6.072 5.923 1.00 1.51 H new ATOM 0 HA ASN A 99 -19.635 -6.441 8.354 1.00 1.59 H new ATOM 0 HB2 ASN A 99 -17.735 -8.080 6.637 1.00 1.69 H new ATOM 0 HB3 ASN A 99 -18.273 -8.686 8.191 1.00 1.69 H new ATOM 0 HD21 ASN A 99 -20.472 -9.818 5.272 1.00 2.36 H new ATOM 0 HD22 ASN A 99 -18.720 -9.730 5.476 1.00 2.36 H new ATOM 1409 N GLY A 100 -16.496 -5.746 8.460 1.00 1.31 N ATOM 1410 CA GLY A 100 -15.323 -5.592 9.298 1.00 1.30 C ATOM 1411 C GLY A 100 -14.472 -6.839 9.260 1.00 1.31 C ATOM 1412 O GLY A 100 -13.601 -7.049 10.103 1.00 1.39 O ATOM 0 H GLY A 100 -16.415 -5.330 7.532 1.00 1.31 H new ATOM 0 HA2 GLY A 100 -14.738 -4.736 8.960 1.00 1.30 H new ATOM 0 HA3 GLY A 100 -15.628 -5.385 10.324 1.00 1.30 H new ATOM 1416 N GLY A 101 -14.742 -7.659 8.259 1.00 1.28 N ATOM 1417 CA GLY A 101 -14.084 -8.939 8.113 1.00 1.33 C ATOM 1418 C GLY A 101 -12.733 -8.818 7.448 1.00 1.17 C ATOM 1419 O GLY A 101 -12.163 -7.725 7.384 1.00 1.05 O ATOM 0 H GLY A 101 -15.423 -7.454 7.528 1.00 1.28 H new ATOM 0 HA2 GLY A 101 -13.963 -9.397 9.095 1.00 1.33 H new ATOM 0 HA3 GLY A 101 -14.717 -9.605 7.526 1.00 1.33 H new ATOM 1423 N GLN A 102 -12.210 -9.945 6.981 1.00 1.21 N ATOM 1424 CA GLN A 102 -10.929 -9.972 6.292 1.00 1.07 C ATOM 1425 C GLN A 102 -10.912 -8.950 5.160 1.00 0.89 C ATOM 1426 O GLN A 102 -11.863 -8.834 4.386 1.00 0.90 O ATOM 1427 CB GLN A 102 -10.641 -11.374 5.752 1.00 1.13 C ATOM 1428 CG GLN A 102 -11.563 -11.789 4.626 1.00 1.89 C ATOM 1429 CD GLN A 102 -11.368 -13.232 4.212 1.00 2.23 C ATOM 1430 OE1 GLN A 102 -10.548 -13.539 3.344 1.00 2.80 O ATOM 1431 NE2 GLN A 102 -12.118 -14.126 4.835 1.00 2.53 N ATOM 0 H GLN A 102 -12.658 -10.857 7.069 1.00 1.21 H new ATOM 0 HA GLN A 102 -10.147 -9.711 7.005 1.00 1.07 H new ATOM 0 HB2 GLN A 102 -9.610 -11.414 5.400 1.00 1.13 H new ATOM 0 HB3 GLN A 102 -10.728 -12.093 6.566 1.00 1.13 H new ATOM 0 HG2 GLN A 102 -12.597 -11.641 4.936 1.00 1.89 H new ATOM 0 HG3 GLN A 102 -11.392 -11.142 3.765 1.00 1.89 H new ATOM 0 HE21 GLN A 102 -12.784 -13.826 5.547 1.00 2.53 H new ATOM 0 HE22 GLN A 102 -12.031 -15.115 4.603 1.00 2.53 H new ATOM 1440 N ALA A 103 -9.835 -8.201 5.086 1.00 0.76 N ATOM 1441 CA ALA A 103 -9.728 -7.110 4.138 1.00 0.61 C ATOM 1442 C ALA A 103 -9.165 -7.579 2.824 1.00 0.58 C ATOM 1443 O ALA A 103 -8.431 -8.564 2.738 1.00 0.64 O ATOM 1444 CB ALA A 103 -8.885 -5.992 4.718 1.00 0.52 C ATOM 0 H ALA A 103 -9.013 -8.328 5.676 1.00 0.76 H new ATOM 0 HA ALA A 103 -10.731 -6.727 3.947 1.00 0.61 H new ATOM 0 HB1 ALA A 103 -8.813 -5.179 3.996 1.00 0.52 H new ATOM 0 HB2 ALA A 103 -9.348 -5.624 5.633 1.00 0.52 H new ATOM 0 HB3 ALA A 103 -7.887 -6.368 4.942 1.00 0.52 H new ATOM 1450 N THR A 104 -9.555 -6.862 1.804 1.00 0.53 N ATOM 1451 CA THR A 104 -9.182 -7.161 0.446 1.00 0.50 C ATOM 1452 C THR A 104 -7.795 -6.621 0.123 1.00 0.43 C ATOM 1453 O THR A 104 -7.526 -5.426 0.272 1.00 0.51 O ATOM 1454 CB THR A 104 -10.265 -6.617 -0.483 1.00 0.53 C ATOM 1455 OG1 THR A 104 -11.221 -7.647 -0.725 1.00 0.64 O ATOM 1456 CG2 THR A 104 -9.723 -6.073 -1.796 1.00 0.56 C ATOM 0 H THR A 104 -10.151 -6.039 1.894 1.00 0.53 H new ATOM 0 HA THR A 104 -9.114 -8.239 0.302 1.00 0.50 H new ATOM 0 HB THR A 104 -10.730 -5.768 0.017 1.00 0.53 H new ATOM 0 HG1 THR A 104 -11.927 -7.604 -0.047 1.00 0.64 H new ATOM 0 HG21 THR A 104 -10.548 -5.704 -2.405 1.00 0.56 H new ATOM 0 HG22 THR A 104 -9.029 -5.258 -1.593 1.00 0.56 H new ATOM 0 HG23 THR A 104 -9.203 -6.867 -2.332 1.00 0.56 H new ATOM 1464 N VAL A 105 -6.918 -7.522 -0.314 1.00 0.34 N ATOM 1465 CA VAL A 105 -5.501 -7.227 -0.391 1.00 0.28 C ATOM 1466 C VAL A 105 -4.913 -7.454 -1.784 1.00 0.25 C ATOM 1467 O VAL A 105 -5.040 -8.528 -2.369 1.00 0.38 O ATOM 1468 CB VAL A 105 -4.708 -8.080 0.626 1.00 0.29 C ATOM 1469 CG1 VAL A 105 -3.223 -7.778 0.535 1.00 0.25 C ATOM 1470 CG2 VAL A 105 -5.209 -7.852 2.044 1.00 0.35 C ATOM 0 H VAL A 105 -7.171 -8.462 -0.619 1.00 0.34 H new ATOM 0 HA VAL A 105 -5.407 -6.167 -0.156 1.00 0.28 H new ATOM 0 HB VAL A 105 -4.866 -9.129 0.376 1.00 0.29 H new ATOM 0 HG11 VAL A 105 -2.683 -8.388 1.259 1.00 0.25 H new ATOM 0 HG12 VAL A 105 -2.866 -8.005 -0.470 1.00 0.25 H new ATOM 0 HG13 VAL A 105 -3.052 -6.723 0.751 1.00 0.25 H new ATOM 0 HG21 VAL A 105 -4.632 -8.465 2.737 1.00 0.35 H new ATOM 0 HG22 VAL A 105 -5.092 -6.801 2.307 1.00 0.35 H new ATOM 0 HG23 VAL A 105 -6.262 -8.127 2.106 1.00 0.35 H new ATOM 1480 N LEU A 106 -4.296 -6.406 -2.300 1.00 0.20 N ATOM 1481 CA LEU A 106 -3.429 -6.480 -3.460 1.00 0.17 C ATOM 1482 C LEU A 106 -1.982 -6.398 -2.988 1.00 0.15 C ATOM 1483 O LEU A 106 -1.515 -5.327 -2.587 1.00 0.18 O ATOM 1484 CB LEU A 106 -3.736 -5.333 -4.433 1.00 0.19 C ATOM 1485 CG LEU A 106 -4.920 -5.545 -5.381 1.00 0.15 C ATOM 1486 CD1 LEU A 106 -4.785 -6.874 -6.114 1.00 0.28 C ATOM 1487 CD2 LEU A 106 -6.257 -5.476 -4.638 1.00 0.26 C ATOM 0 H LEU A 106 -4.386 -5.465 -1.918 1.00 0.20 H new ATOM 0 HA LEU A 106 -3.596 -7.420 -3.985 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -3.922 -4.431 -3.850 1.00 0.19 H new ATOM 0 HB3 LEU A 106 -2.846 -5.147 -5.034 1.00 0.19 H new ATOM 0 HG LEU A 106 -4.906 -4.737 -6.112 1.00 0.15 H new ATOM 0 HD11 LEU A 106 -5.635 -7.008 -6.783 1.00 0.28 H new ATOM 0 HD12 LEU A 106 -3.862 -6.878 -6.694 1.00 0.28 H new ATOM 0 HD13 LEU A 106 -4.761 -7.688 -5.390 1.00 0.28 H new ATOM 0 HD21 LEU A 106 -7.074 -5.631 -5.343 1.00 0.26 H new ATOM 0 HD22 LEU A 106 -6.288 -6.250 -3.871 1.00 0.26 H new ATOM 0 HD23 LEU A 106 -6.363 -4.497 -4.170 1.00 0.26 H new ATOM 1499 N THR A 107 -1.281 -7.522 -3.036 1.00 0.15 N ATOM 1500 CA THR A 107 0.019 -7.634 -2.381 1.00 0.12 C ATOM 1501 C THR A 107 1.189 -7.521 -3.360 1.00 0.12 C ATOM 1502 O THR A 107 1.079 -7.847 -4.540 1.00 0.19 O ATOM 1503 CB THR A 107 0.144 -8.973 -1.624 1.00 0.17 C ATOM 1504 OG1 THR A 107 -1.052 -9.234 -0.884 1.00 0.21 O ATOM 1505 CG2 THR A 107 1.333 -8.956 -0.667 1.00 0.24 C ATOM 0 H THR A 107 -1.587 -8.367 -3.519 1.00 0.15 H new ATOM 0 HA THR A 107 0.071 -6.798 -1.684 1.00 0.12 H new ATOM 0 HB THR A 107 0.300 -9.759 -2.362 1.00 0.17 H new ATOM 0 HG1 THR A 107 -0.963 -10.086 -0.409 1.00 0.21 H new ATOM 0 HG21 THR A 107 1.396 -9.912 -0.148 1.00 0.24 H new ATOM 0 HG22 THR A 107 2.251 -8.788 -1.230 1.00 0.24 H new ATOM 0 HG23 THR A 107 1.202 -8.156 0.061 1.00 0.24 H new ATOM 1513 N TYR A 108 2.302 -7.028 -2.841 1.00 0.13 N ATOM 1514 CA TYR A 108 3.571 -7.004 -3.548 1.00 0.15 C ATOM 1515 C TYR A 108 4.686 -7.343 -2.566 1.00 0.17 C ATOM 1516 O TYR A 108 4.623 -6.955 -1.402 1.00 0.20 O ATOM 1517 CB TYR A 108 3.797 -5.629 -4.182 1.00 0.17 C ATOM 1518 CG TYR A 108 5.251 -5.261 -4.379 1.00 0.17 C ATOM 1519 CD1 TYR A 108 5.867 -4.365 -3.519 1.00 0.16 C ATOM 1520 CD2 TYR A 108 5.999 -5.787 -5.426 1.00 0.19 C ATOM 1521 CE1 TYR A 108 7.183 -3.998 -3.689 1.00 0.17 C ATOM 1522 CE2 TYR A 108 7.323 -5.430 -5.604 1.00 0.21 C ATOM 1523 CZ TYR A 108 7.912 -4.535 -4.732 1.00 0.20 C ATOM 1524 OH TYR A 108 9.228 -4.172 -4.911 1.00 0.23 O ATOM 0 H TYR A 108 2.349 -6.628 -1.904 1.00 0.13 H new ATOM 0 HA TYR A 108 3.564 -7.742 -4.350 1.00 0.15 H new ATOM 0 HB2 TYR A 108 3.294 -5.601 -5.149 1.00 0.17 H new ATOM 0 HB3 TYR A 108 3.325 -4.872 -3.556 1.00 0.17 H new ATOM 0 HD1 TYR A 108 5.303 -3.946 -2.699 1.00 0.16 H new ATOM 0 HD2 TYR A 108 5.539 -6.485 -6.110 1.00 0.19 H new ATOM 0 HE1 TYR A 108 7.643 -3.294 -3.011 1.00 0.17 H new ATOM 0 HE2 TYR A 108 7.893 -5.848 -6.420 1.00 0.21 H new ATOM 0 HH TYR A 108 9.594 -4.642 -5.689 1.00 0.23 H new ATOM 1534 N ASP A 109 5.693 -8.062 -3.026 1.00 0.17 N ATOM 1535 CA ASP A 109 6.771 -8.501 -2.151 1.00 0.19 C ATOM 1536 C ASP A 109 8.075 -7.803 -2.518 1.00 0.23 C ATOM 1537 O ASP A 109 8.639 -8.035 -3.589 1.00 0.29 O ATOM 1538 CB ASP A 109 6.941 -10.018 -2.248 1.00 0.23 C ATOM 1539 CG ASP A 109 7.783 -10.584 -1.122 1.00 1.27 C ATOM 1540 OD1 ASP A 109 8.978 -10.228 -1.035 1.00 1.94 O ATOM 1541 OD2 ASP A 109 7.261 -11.376 -0.320 1.00 1.85 O ATOM 0 H ASP A 109 5.790 -8.355 -3.998 1.00 0.17 H new ATOM 0 HA ASP A 109 6.514 -8.238 -1.125 1.00 0.19 H new ATOM 0 HB2 ASP A 109 5.959 -10.491 -2.236 1.00 0.23 H new ATOM 0 HB3 ASP A 109 7.403 -10.268 -3.203 1.00 0.23 H new ATOM 1546 N TRP A 110 8.548 -6.938 -1.633 1.00 0.24 N ATOM 1547 CA TRP A 110 9.802 -6.230 -1.858 1.00 0.30 C ATOM 1548 C TRP A 110 10.993 -7.132 -1.553 1.00 0.43 C ATOM 1549 O TRP A 110 12.043 -7.028 -2.183 1.00 0.52 O ATOM 1550 CB TRP A 110 9.856 -4.953 -1.009 1.00 0.26 C ATOM 1551 CG TRP A 110 11.249 -4.474 -0.730 1.00 0.30 C ATOM 1552 CD1 TRP A 110 12.074 -3.805 -1.584 1.00 0.74 C ATOM 1553 CD2 TRP A 110 11.982 -4.635 0.490 1.00 1.13 C ATOM 1554 NE1 TRP A 110 13.271 -3.534 -0.966 1.00 0.47 N ATOM 1555 CE2 TRP A 110 13.235 -4.031 0.310 1.00 0.80 C ATOM 1556 CE3 TRP A 110 11.691 -5.226 1.716 1.00 2.22 C ATOM 1557 CZ2 TRP A 110 14.197 -4.007 1.317 1.00 1.48 C ATOM 1558 CZ3 TRP A 110 12.645 -5.201 2.716 1.00 2.91 C ATOM 1559 CH2 TRP A 110 13.885 -4.591 2.513 1.00 2.54 C ATOM 0 H TRP A 110 8.084 -6.709 -0.754 1.00 0.24 H new ATOM 0 HA TRP A 110 9.853 -5.946 -2.909 1.00 0.30 H new ATOM 0 HB2 TRP A 110 9.305 -4.164 -1.520 1.00 0.26 H new ATOM 0 HB3 TRP A 110 9.347 -5.135 -0.062 1.00 0.26 H new ATOM 0 HD1 TRP A 110 11.824 -3.528 -2.598 1.00 0.74 H new ATOM 0 HE1 TRP A 110 14.058 -3.043 -1.389 1.00 0.47 H new ATOM 0 HE3 TRP A 110 10.734 -5.697 1.884 1.00 2.22 H new ATOM 0 HZ2 TRP A 110 15.159 -3.542 1.158 1.00 1.48 H new ATOM 0 HZ3 TRP A 110 12.428 -5.660 3.669 1.00 2.91 H new ATOM 0 HH2 TRP A 110 14.609 -4.581 3.314 1.00 2.54 H new ATOM 1570 N SER A 111 10.812 -8.024 -0.596 1.00 0.53 N ATOM 1571 CA SER A 111 11.861 -8.950 -0.186 1.00 0.69 C ATOM 1572 C SER A 111 12.290 -9.838 -1.357 1.00 0.68 C ATOM 1573 O SER A 111 13.454 -10.227 -1.463 1.00 0.85 O ATOM 1574 CB SER A 111 11.359 -9.796 0.984 1.00 0.82 C ATOM 1575 OG SER A 111 12.351 -10.691 1.463 1.00 1.56 O ATOM 0 H SER A 111 9.938 -8.130 -0.081 1.00 0.53 H new ATOM 0 HA SER A 111 12.735 -8.383 0.134 1.00 0.69 H new ATOM 0 HB2 SER A 111 11.042 -9.140 1.795 1.00 0.82 H new ATOM 0 HB3 SER A 111 10.482 -10.362 0.671 1.00 0.82 H new ATOM 0 HG SER A 111 13.230 -10.259 1.420 1.00 1.56 H new ATOM 1581 N ALA A 112 11.345 -10.131 -2.244 1.00 0.63 N ATOM 1582 CA ALA A 112 11.610 -10.932 -3.438 1.00 0.84 C ATOM 1583 C ALA A 112 12.395 -10.149 -4.482 1.00 1.74 C ATOM 1584 O ALA A 112 12.772 -10.676 -5.529 1.00 1.93 O ATOM 1585 CB ALA A 112 10.304 -11.448 -4.026 1.00 1.01 C ATOM 0 H ALA A 112 10.377 -9.822 -2.158 1.00 0.63 H new ATOM 0 HA ALA A 112 12.225 -11.781 -3.139 1.00 0.84 H new ATOM 0 HB1 ALA A 112 10.515 -12.043 -4.915 1.00 1.01 H new ATOM 0 HB2 ALA A 112 9.792 -12.066 -3.289 1.00 1.01 H new ATOM 0 HB3 ALA A 112 9.668 -10.605 -4.296 1.00 1.01 H new ATOM 1591 N ASN A 113 12.639 -8.895 -4.177 1.00 2.66 N ATOM 1592 CA ASN A 113 13.418 -8.017 -5.046 1.00 3.90 C ATOM 1593 C ASN A 113 14.695 -7.591 -4.341 1.00 4.58 C ATOM 1594 O ASN A 113 15.743 -7.424 -4.968 1.00 5.50 O ATOM 1595 CB ASN A 113 12.601 -6.787 -5.461 1.00 4.77 C ATOM 1596 CG ASN A 113 11.516 -7.117 -6.472 1.00 5.70 C ATOM 1597 OD1 ASN A 113 11.743 -7.069 -7.683 1.00 6.43 O ATOM 1598 ND2 ASN A 113 10.327 -7.449 -5.989 1.00 5.99 N ATOM 0 H ASN A 113 12.307 -8.447 -3.323 1.00 2.66 H new ATOM 0 HA ASN A 113 13.677 -8.569 -5.950 1.00 3.90 H new ATOM 0 HB2 ASN A 113 12.144 -6.344 -4.576 1.00 4.77 H new ATOM 0 HB3 ASN A 113 13.270 -6.037 -5.884 1.00 4.77 H new ATOM 0 HD21 ASN A 113 9.563 -7.675 -6.626 1.00 5.99 H new ATOM 0 HD22 ASN A 113 10.176 -7.478 -4.981 1.00 5.99 H new ATOM 1605 N GLY A 114 14.600 -7.408 -3.033 1.00 4.42 N ATOM 1606 CA GLY A 114 15.773 -7.125 -2.242 1.00 5.31 C ATOM 1607 C GLY A 114 16.449 -8.399 -1.786 1.00 5.08 C ATOM 1608 O GLY A 114 17.028 -9.125 -2.598 1.00 5.11 O ATOM 0 H GLY A 114 13.728 -7.451 -2.506 1.00 4.42 H new ATOM 0 HA2 GLY A 114 16.473 -6.528 -2.827 1.00 5.31 H new ATOM 0 HA3 GLY A 114 15.493 -6.528 -1.374 1.00 5.31 H new ATOM 1612 N VAL A 115 16.379 -8.680 -0.494 1.00 5.27 N ATOM 1613 CA VAL A 115 16.902 -9.925 0.044 1.00 5.54 C ATOM 1614 C VAL A 115 15.868 -10.553 0.969 1.00 5.84 C ATOM 1615 O VAL A 115 15.013 -9.856 1.516 1.00 6.24 O ATOM 1616 CB VAL A 115 18.223 -9.725 0.824 1.00 6.36 C ATOM 1617 CG1 VAL A 115 18.799 -11.070 1.244 1.00 7.05 C ATOM 1618 CG2 VAL A 115 19.236 -8.950 -0.004 1.00 6.96 C ATOM 0 H VAL A 115 15.964 -8.061 0.202 1.00 5.27 H new ATOM 0 HA VAL A 115 17.113 -10.579 -0.802 1.00 5.54 H new ATOM 0 HB VAL A 115 18.002 -9.143 1.718 1.00 6.36 H new ATOM 0 HG11 VAL A 115 19.728 -10.913 1.792 1.00 7.05 H new ATOM 0 HG12 VAL A 115 18.084 -11.588 1.883 1.00 7.05 H new ATOM 0 HG13 VAL A 115 18.998 -11.673 0.358 1.00 7.05 H new ATOM 0 HG21 VAL A 115 20.155 -8.824 0.569 1.00 6.96 H new ATOM 0 HG22 VAL A 115 19.452 -9.498 -0.921 1.00 6.96 H new ATOM 0 HG23 VAL A 115 18.828 -7.971 -0.255 1.00 6.96 H new ATOM 1628 N ASN A 116 15.937 -11.863 1.126 1.00 6.03 N ATOM 1629 CA ASN A 116 15.021 -12.578 1.994 1.00 6.77 C ATOM 1630 C ASN A 116 15.763 -13.125 3.214 1.00 7.60 C ATOM 1631 O ASN A 116 15.837 -14.338 3.418 1.00 7.94 O ATOM 1632 CB ASN A 116 14.372 -13.713 1.212 1.00 7.12 C ATOM 1633 CG ASN A 116 13.220 -14.369 1.957 1.00 7.81 C ATOM 1634 OD1 ASN A 116 13.400 -15.358 2.669 1.00 8.34 O ATOM 1635 ND2 ASN A 116 12.024 -13.820 1.795 1.00 8.08 N ATOM 0 H ASN A 116 16.623 -12.456 0.660 1.00 6.03 H new ATOM 0 HA ASN A 116 14.247 -11.895 2.345 1.00 6.77 H new ATOM 0 HB2 ASN A 116 14.008 -13.328 0.259 1.00 7.12 H new ATOM 0 HB3 ASN A 116 15.126 -14.467 0.984 1.00 7.12 H new ATOM 0 HD21 ASN A 116 11.212 -14.217 2.269 1.00 8.08 H new ATOM 0 HD22 ASN A 116 11.916 -13.001 1.197 1.00 8.08 H new ATOM 1642 N SER A 117 16.337 -12.217 3.999 1.00 8.17 N ATOM 1643 CA SER A 117 17.047 -12.578 5.226 1.00 9.18 C ATOM 1644 C SER A 117 18.183 -13.566 4.945 1.00 9.70 C ATOM 1645 O SER A 117 18.378 -14.537 5.680 1.00 10.53 O ATOM 1646 CB SER A 117 16.063 -13.166 6.243 1.00 9.92 C ATOM 1647 OG SER A 117 15.021 -12.243 6.531 1.00 9.90 O ATOM 0 H SER A 117 16.324 -11.216 3.805 1.00 8.17 H new ATOM 0 HA SER A 117 17.493 -11.674 5.641 1.00 9.18 H new ATOM 0 HB2 SER A 117 15.638 -14.090 5.852 1.00 9.92 H new ATOM 0 HB3 SER A 117 16.592 -13.422 7.161 1.00 9.92 H new ATOM 0 HG SER A 117 14.403 -12.639 7.181 1.00 9.90 H new ATOM 1653 N ASN A 118 18.935 -13.308 3.883 1.00 9.37 N ATOM 1654 CA ASN A 118 20.017 -14.197 3.480 1.00 10.00 C ATOM 1655 C ASN A 118 21.362 -13.634 3.915 1.00 10.75 C ATOM 1656 O ASN A 118 21.973 -14.201 4.844 1.00 11.23 O ATOM 1657 CB ASN A 118 20.017 -14.414 1.963 1.00 9.57 C ATOM 1658 CG ASN A 118 18.708 -14.981 1.449 1.00 9.83 C ATOM 1659 OD1 ASN A 118 17.818 -14.241 1.034 1.00 10.17 O ATOM 1660 ND2 ASN A 118 18.579 -16.297 1.478 1.00 9.94 N ATOM 1661 OXT ASN A 118 21.798 -12.616 3.337 1.00 11.04 O ATOM 0 H ASN A 118 18.816 -12.490 3.285 1.00 9.37 H new ATOM 0 HA ASN A 118 19.855 -15.157 3.970 1.00 10.00 H new ATOM 0 HB2 ASN A 118 20.217 -13.465 1.465 1.00 9.57 H new ATOM 0 HB3 ASN A 118 20.829 -15.090 1.698 1.00 9.57 H new ATOM 0 HD21 ASN A 118 17.717 -16.732 1.148 1.00 9.94 H new ATOM 0 HD22 ASN A 118 19.341 -16.877 1.830 1.00 9.94 H new TER 1668 ASN A 118