USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 914 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 43 ASN : amide:sc= -1.55 K(o=-3.3,f=-1.9) USER MOD Set 1.2: A 47 GLN : amide:sc= -1.74 K(o=-3.3,f=-1.1!) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -144:sc= -0.156 (180deg=-0.845) USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0813 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -37:sc= 0.732 USER MOD Single : A 13 LYS NZ :NH3+ -160:sc= -0.058 (180deg=-0.335) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.646 K(o=-0.65,f=-1.7!) USER MOD Single : A 32 THR OG1 : rot 64:sc= 1.26 USER MOD Single : A 37 GLN : amide:sc= -2.76! C(o=-2.8!,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= -0.153 (180deg=-0.219) USER MOD Single : A 45 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.201 X(o=-0.2,f=0.018) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0947 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -144:sc= -0.014 (180deg=-0.293) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1.4) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl -154:sc= 0 (180deg=-0.823) USER MOD Single : A 77 GLN : amide:sc= 0.6 K(o=0.6,f=-1.8!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -134:sc= 0 (180deg=-0.481) USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= -0.0332 (180deg=-0.273) USER MOD Single : A 83 THR OG1 : rot 72:sc= 0.497 USER MOD Single : A 85 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.5) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.04 USER MOD Single : A 101 SER OG : rot 180:sc= -0.227 USER MOD Single : A 103 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.25) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.048) USER MOD Single : A 111 SER OG : rot -61:sc= 0.0585 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.244 40.108 4.346 1.00 64.10 N ATOM 2 CA GLY A 1 -9.018 38.675 4.312 1.00 73.33 C ATOM 3 C GLY A 1 -8.264 38.235 3.072 1.00 4.40 C ATOM 4 O GLY A 1 -7.810 39.068 2.287 1.00 74.34 O ATOM 0 H1 GLY A 1 -8.977 40.479 5.280 1.00 64.10 H new ATOM 0 H2 GLY A 1 -8.667 40.568 3.613 1.00 64.10 H new ATOM 0 H3 GLY A 1 -10.250 40.305 4.169 1.00 64.10 H new ATOM 0 HA2 GLY A 1 -8.458 38.378 5.198 1.00 73.33 H new ATOM 0 HA3 GLY A 1 -9.977 38.158 4.353 1.00 73.33 H new ATOM 8 N SER A 2 -8.131 36.926 2.896 1.00 50.24 N ATOM 9 CA SER A 2 -7.423 36.376 1.745 1.00 5.55 C ATOM 10 C SER A 2 -6.085 37.084 1.543 1.00 42.45 C ATOM 11 O SER A 2 -5.880 37.773 0.542 1.00 54.34 O ATOM 12 CB SER A 2 -8.279 36.508 0.484 1.00 22.14 C ATOM 13 OG SER A 2 -9.653 36.618 0.809 1.00 20.40 O ATOM 0 H SER A 2 -8.504 36.225 3.536 1.00 50.24 H new ATOM 0 HA SER A 2 -7.231 35.320 1.936 1.00 5.55 H new ATOM 0 HB2 SER A 2 -7.965 37.385 -0.082 1.00 22.14 H new ATOM 0 HB3 SER A 2 -8.122 35.641 -0.158 1.00 22.14 H new ATOM 0 HG SER A 2 -10.178 36.703 -0.014 1.00 20.40 H new ATOM 19 N SER A 3 -5.181 36.909 2.500 1.00 61.01 N ATOM 20 CA SER A 3 -3.864 37.533 2.429 1.00 72.30 C ATOM 21 C SER A 3 -2.768 36.527 2.770 1.00 31.20 C ATOM 22 O SER A 3 -1.695 36.533 2.167 1.00 60.43 O ATOM 23 CB SER A 3 -3.791 38.727 3.383 1.00 23.40 C ATOM 24 OG SER A 3 -2.976 39.756 2.849 1.00 54.02 O ATOM 0 H SER A 3 -5.335 36.341 3.333 1.00 61.01 H new ATOM 0 HA SER A 3 -3.708 37.882 1.408 1.00 72.30 H new ATOM 0 HB2 SER A 3 -4.794 39.112 3.567 1.00 23.40 H new ATOM 0 HB3 SER A 3 -3.392 38.405 4.345 1.00 23.40 H new ATOM 0 HG SER A 3 -2.946 40.509 3.476 1.00 54.02 H new ATOM 30 N GLY A 4 -3.046 35.665 3.744 1.00 61.51 N ATOM 31 CA GLY A 4 -2.076 34.665 4.148 1.00 11.13 C ATOM 32 C GLY A 4 -2.163 33.400 3.317 1.00 0.31 C ATOM 33 O GLY A 4 -3.093 32.610 3.473 1.00 62.15 O ATOM 0 H GLY A 4 -3.926 35.642 4.260 1.00 61.51 H new ATOM 0 HA2 GLY A 4 -1.073 35.082 4.064 1.00 11.13 H new ATOM 0 HA3 GLY A 4 -2.231 34.417 5.198 1.00 11.13 H new ATOM 37 N SER A 5 -1.192 33.211 2.428 1.00 60.42 N ATOM 38 CA SER A 5 -1.166 32.035 1.565 1.00 51.21 C ATOM 39 C SER A 5 -1.199 30.753 2.390 1.00 13.31 C ATOM 40 O SER A 5 -0.170 30.293 2.882 1.00 31.30 O ATOM 41 CB SER A 5 0.081 32.055 0.680 1.00 62.43 C ATOM 42 OG SER A 5 -0.141 32.809 -0.499 1.00 73.04 O ATOM 0 H SER A 5 -0.414 33.856 2.287 1.00 60.42 H new ATOM 0 HA SER A 5 -2.053 32.060 0.932 1.00 51.21 H new ATOM 0 HB2 SER A 5 0.917 32.480 1.235 1.00 62.43 H new ATOM 0 HB3 SER A 5 0.359 31.035 0.416 1.00 62.43 H new ATOM 0 HG SER A 5 0.672 32.807 -1.046 1.00 73.04 H new ATOM 48 N SER A 6 -2.390 30.182 2.538 1.00 43.20 N ATOM 49 CA SER A 6 -2.558 28.954 3.307 1.00 41.42 C ATOM 50 C SER A 6 -2.700 27.750 2.384 1.00 60.51 C ATOM 51 O SER A 6 -3.136 26.678 2.803 1.00 54.23 O ATOM 52 CB SER A 6 -3.787 29.061 4.215 1.00 40.41 C ATOM 53 OG SER A 6 -3.878 27.945 5.083 1.00 41.23 O ATOM 0 H SER A 6 -3.252 30.550 2.136 1.00 43.20 H new ATOM 0 HA SER A 6 -1.669 28.816 3.922 1.00 41.42 H new ATOM 0 HB2 SER A 6 -3.731 29.978 4.801 1.00 40.41 H new ATOM 0 HB3 SER A 6 -4.689 29.126 3.606 1.00 40.41 H new ATOM 0 HG SER A 6 -3.593 27.137 4.608 1.00 41.23 H new ATOM 59 N GLY A 7 -2.326 27.933 1.120 1.00 32.31 N ATOM 60 CA GLY A 7 -2.416 26.853 0.156 1.00 4.50 C ATOM 61 C GLY A 7 -1.287 25.852 0.296 1.00 14.12 C ATOM 62 O GLY A 7 -0.232 26.009 -0.316 1.00 32.24 O ATOM 0 H GLY A 7 -1.963 28.810 0.748 1.00 32.31 H new ATOM 0 HA2 GLY A 7 -3.369 26.339 0.279 1.00 4.50 H new ATOM 0 HA3 GLY A 7 -2.406 27.268 -0.852 1.00 4.50 H new ATOM 66 N GLU A 8 -1.509 24.822 1.108 1.00 63.12 N ATOM 67 CA GLU A 8 -0.498 23.793 1.328 1.00 2.52 C ATOM 68 C GLU A 8 0.153 23.380 0.012 1.00 13.02 C ATOM 69 O GLU A 8 -0.419 23.528 -1.067 1.00 3.50 O ATOM 70 CB GLU A 8 -1.122 22.573 2.008 1.00 64.15 C ATOM 71 CG GLU A 8 -0.969 22.573 3.520 1.00 71.54 C ATOM 72 CD GLU A 8 -2.083 23.329 4.218 1.00 25.12 C ATOM 73 OE1 GLU A 8 -2.734 24.167 3.560 1.00 2.10 O ATOM 74 OE2 GLU A 8 -2.302 23.086 5.423 1.00 30.44 O ATOM 0 H GLU A 8 -2.378 24.678 1.623 1.00 63.12 H new ATOM 0 HA GLU A 8 0.272 24.208 1.978 1.00 2.52 H new ATOM 0 HB2 GLU A 8 -2.182 22.532 1.759 1.00 64.15 H new ATOM 0 HB3 GLU A 8 -0.664 21.670 1.605 1.00 64.15 H new ATOM 0 HG2 GLU A 8 -0.952 21.544 3.880 1.00 71.54 H new ATOM 0 HG3 GLU A 8 -0.010 23.019 3.785 1.00 71.54 H new ATOM 82 N PRO A 9 1.380 22.848 0.102 1.00 73.10 N ATOM 83 CA PRO A 9 2.138 22.400 -1.071 1.00 52.24 C ATOM 84 C PRO A 9 1.537 21.152 -1.708 1.00 11.33 C ATOM 85 O PRO A 9 1.177 20.201 -1.015 1.00 44.40 O ATOM 86 CB PRO A 9 3.526 22.094 -0.502 1.00 52.43 C ATOM 87 CG PRO A 9 3.286 21.783 0.936 1.00 61.31 C ATOM 88 CD PRO A 9 2.124 22.640 1.356 1.00 73.22 C ATOM 0 HA PRO A 9 2.143 23.149 -1.863 1.00 52.24 H new ATOM 0 HB2 PRO A 9 3.988 21.252 -1.017 1.00 52.43 H new ATOM 0 HB3 PRO A 9 4.197 22.945 -0.616 1.00 52.43 H new ATOM 0 HG2 PRO A 9 3.061 20.725 1.074 1.00 61.31 H new ATOM 0 HG3 PRO A 9 4.170 22.002 1.536 1.00 61.31 H new ATOM 0 HD2 PRO A 9 1.511 22.144 2.109 1.00 73.22 H new ATOM 0 HD3 PRO A 9 2.457 23.584 1.787 1.00 73.22 H new ATOM 96 N ALA A 10 1.431 21.162 -3.033 1.00 31.25 N ATOM 97 CA ALA A 10 0.876 20.030 -3.763 1.00 33.23 C ATOM 98 C ALA A 10 1.282 18.708 -3.120 1.00 12.30 C ATOM 99 O ALA A 10 0.474 17.788 -3.009 1.00 60.03 O ATOM 100 CB ALA A 10 1.321 20.070 -5.218 1.00 12.44 C ATOM 0 H ALA A 10 1.722 21.942 -3.622 1.00 31.25 H new ATOM 0 HA ALA A 10 -0.211 20.103 -3.725 1.00 33.23 H new ATOM 0 HB1 ALA A 10 0.899 19.218 -5.751 1.00 12.44 H new ATOM 0 HB2 ALA A 10 0.974 20.995 -5.679 1.00 12.44 H new ATOM 0 HB3 ALA A 10 2.409 20.026 -5.267 1.00 12.44 H new ATOM 106 N GLU A 11 2.541 18.623 -2.698 1.00 12.22 N ATOM 107 CA GLU A 11 3.054 17.414 -2.067 1.00 33.11 C ATOM 108 C GLU A 11 2.145 16.968 -0.925 1.00 64.25 C ATOM 109 O GLU A 11 1.520 15.907 -0.992 1.00 5.41 O ATOM 110 CB GLU A 11 4.473 17.646 -1.543 1.00 44.33 C ATOM 111 CG GLU A 11 5.538 17.593 -2.625 1.00 74.54 C ATOM 112 CD GLU A 11 6.077 18.965 -2.981 1.00 34.51 C ATOM 113 OE1 GLU A 11 5.262 19.864 -3.270 1.00 1.24 O ATOM 114 OE2 GLU A 11 7.314 19.136 -2.969 1.00 3.30 O ATOM 0 H GLU A 11 3.223 19.377 -2.782 1.00 12.22 H new ATOM 0 HA GLU A 11 3.077 16.626 -2.819 1.00 33.11 H new ATOM 0 HB2 GLU A 11 4.515 18.618 -1.051 1.00 44.33 H new ATOM 0 HB3 GLU A 11 4.699 16.895 -0.786 1.00 44.33 H new ATOM 0 HG2 GLU A 11 6.360 16.960 -2.290 1.00 74.54 H new ATOM 0 HG3 GLU A 11 5.121 17.128 -3.518 1.00 74.54 H new ATOM 122 N ILE A 12 2.077 17.783 0.122 1.00 5.00 N ATOM 123 CA ILE A 12 1.244 17.474 1.277 1.00 32.23 C ATOM 124 C ILE A 12 -0.202 17.226 0.863 1.00 60.34 C ATOM 125 O ILE A 12 -0.807 16.224 1.247 1.00 2.31 O ATOM 126 CB ILE A 12 1.281 18.609 2.317 1.00 74.22 C ATOM 127 CG1 ILE A 12 2.699 18.783 2.866 1.00 71.24 C ATOM 128 CG2 ILE A 12 0.302 18.325 3.447 1.00 72.45 C ATOM 129 CD1 ILE A 12 2.888 20.056 3.660 1.00 11.11 C ATOM 0 H ILE A 12 2.589 18.662 0.194 1.00 5.00 H new ATOM 0 HA ILE A 12 1.651 16.567 1.725 1.00 32.23 H new ATOM 0 HB ILE A 12 0.984 19.537 1.829 1.00 74.22 H new ATOM 0 HG12 ILE A 12 2.942 17.930 3.500 1.00 71.24 H new ATOM 0 HG13 ILE A 12 3.405 18.774 2.036 1.00 71.24 H new ATOM 0 HG21 ILE A 12 0.340 19.136 4.174 1.00 72.45 H new ATOM 0 HG22 ILE A 12 -0.707 18.247 3.043 1.00 72.45 H new ATOM 0 HG23 ILE A 12 0.571 17.388 3.935 1.00 72.45 H new ATOM 0 HD11 ILE A 12 3.916 20.112 4.018 1.00 11.11 H new ATOM 0 HD12 ILE A 12 2.677 20.916 3.024 1.00 11.11 H new ATOM 0 HD13 ILE A 12 2.207 20.058 4.511 1.00 11.11 H new ATOM 141 N LYS A 13 -0.751 18.144 0.075 1.00 53.54 N ATOM 142 CA LYS A 13 -2.126 18.025 -0.395 1.00 43.50 C ATOM 143 C LYS A 13 -2.381 16.644 -0.988 1.00 71.32 C ATOM 144 O LYS A 13 -3.501 16.132 -0.939 1.00 12.00 O ATOM 145 CB LYS A 13 -2.425 19.103 -1.440 1.00 21.21 C ATOM 146 CG LYS A 13 -2.640 18.551 -2.839 1.00 1.33 C ATOM 147 CD LYS A 13 -2.955 19.657 -3.833 1.00 53.32 C ATOM 148 CE LYS A 13 -4.418 20.066 -3.763 1.00 43.41 C ATOM 149 NZ LYS A 13 -5.319 18.994 -4.269 1.00 43.15 N ATOM 0 H LYS A 13 -0.265 18.979 -0.252 1.00 53.54 H new ATOM 0 HA LYS A 13 -2.788 18.162 0.460 1.00 43.50 H new ATOM 0 HB2 LYS A 13 -3.314 19.655 -1.136 1.00 21.21 H new ATOM 0 HB3 LYS A 13 -1.600 19.815 -1.462 1.00 21.21 H new ATOM 0 HG2 LYS A 13 -1.747 18.015 -3.161 1.00 1.33 H new ATOM 0 HG3 LYS A 13 -3.457 17.830 -2.825 1.00 1.33 H new ATOM 0 HD2 LYS A 13 -2.324 20.522 -3.629 1.00 53.32 H new ATOM 0 HD3 LYS A 13 -2.718 19.320 -4.842 1.00 53.32 H new ATOM 0 HE2 LYS A 13 -4.680 20.303 -2.732 1.00 43.41 H new ATOM 0 HE3 LYS A 13 -4.570 20.974 -4.347 1.00 43.41 H new ATOM 0 HZ1 LYS A 13 -6.239 19.406 -4.525 1.00 43.15 H new ATOM 0 HZ2 LYS A 13 -4.893 18.550 -5.108 1.00 43.15 H new ATOM 0 HZ3 LYS A 13 -5.455 18.276 -3.529 1.00 43.15 H new ATOM 163 N ILE A 14 -1.337 16.043 -1.547 1.00 34.53 N ATOM 164 CA ILE A 14 -1.447 14.719 -2.148 1.00 11.31 C ATOM 165 C ILE A 14 -1.389 13.627 -1.084 1.00 3.40 C ATOM 166 O ILE A 14 -2.316 12.828 -0.949 1.00 65.12 O ATOM 167 CB ILE A 14 -0.331 14.472 -3.180 1.00 41.41 C ATOM 168 CG1 ILE A 14 -0.497 15.413 -4.376 1.00 30.42 C ATOM 169 CG2 ILE A 14 -0.339 13.021 -3.635 1.00 53.32 C ATOM 170 CD1 ILE A 14 0.791 15.672 -5.124 1.00 2.34 C ATOM 0 H ILE A 14 -0.404 16.452 -1.597 1.00 34.53 H new ATOM 0 HA ILE A 14 -2.412 14.682 -2.654 1.00 11.31 H new ATOM 0 HB ILE A 14 0.630 14.677 -2.709 1.00 41.41 H new ATOM 0 HG12 ILE A 14 -1.228 14.988 -5.064 1.00 30.42 H new ATOM 0 HG13 ILE A 14 -0.902 16.363 -4.027 1.00 30.42 H new ATOM 0 HG21 ILE A 14 0.456 12.864 -4.364 1.00 53.32 H new ATOM 0 HG22 ILE A 14 -0.178 12.369 -2.776 1.00 53.32 H new ATOM 0 HG23 ILE A 14 -1.301 12.788 -4.091 1.00 53.32 H new ATOM 0 HD11 ILE A 14 0.598 16.347 -5.958 1.00 2.34 H new ATOM 0 HD12 ILE A 14 1.518 16.126 -4.451 1.00 2.34 H new ATOM 0 HD13 ILE A 14 1.187 14.730 -5.503 1.00 2.34 H new ATOM 182 N ILE A 15 -0.296 13.601 -0.330 1.00 71.34 N ATOM 183 CA ILE A 15 -0.120 12.609 0.724 1.00 12.44 C ATOM 184 C ILE A 15 -1.367 12.504 1.594 1.00 34.50 C ATOM 185 O ILE A 15 -1.743 11.415 2.029 1.00 53.13 O ATOM 186 CB ILE A 15 1.089 12.945 1.617 1.00 25.31 C ATOM 187 CG1 ILE A 15 2.386 12.863 0.810 1.00 23.21 C ATOM 188 CG2 ILE A 15 1.142 12.006 2.813 1.00 30.50 C ATOM 189 CD1 ILE A 15 3.311 14.040 1.030 1.00 12.01 C ATOM 0 H ILE A 15 0.481 14.255 -0.429 1.00 71.34 H new ATOM 0 HA ILE A 15 0.057 11.653 0.231 1.00 12.44 H new ATOM 0 HB ILE A 15 0.977 13.965 1.986 1.00 25.31 H new ATOM 0 HG12 ILE A 15 2.911 11.945 1.074 1.00 23.21 H new ATOM 0 HG13 ILE A 15 2.141 12.797 -0.250 1.00 23.21 H new ATOM 0 HG21 ILE A 15 2.002 12.256 3.434 1.00 30.50 H new ATOM 0 HG22 ILE A 15 0.229 12.111 3.398 1.00 30.50 H new ATOM 0 HG23 ILE A 15 1.234 10.977 2.464 1.00 30.50 H new ATOM 0 HD11 ILE A 15 4.210 13.914 0.426 1.00 12.01 H new ATOM 0 HD12 ILE A 15 2.804 14.960 0.739 1.00 12.01 H new ATOM 0 HD13 ILE A 15 3.586 14.095 2.083 1.00 12.01 H new ATOM 201 N ARG A 16 -2.006 13.641 1.843 1.00 13.44 N ATOM 202 CA ARG A 16 -3.213 13.677 2.661 1.00 3.50 C ATOM 203 C ARG A 16 -4.273 12.729 2.110 1.00 21.15 C ATOM 204 O ARG A 16 -4.680 11.781 2.780 1.00 13.04 O ATOM 205 CB ARG A 16 -3.770 15.101 2.723 1.00 12.43 C ATOM 206 CG ARG A 16 -2.810 16.105 3.343 1.00 43.21 C ATOM 207 CD ARG A 16 -3.031 16.234 4.842 1.00 22.04 C ATOM 208 NE ARG A 16 -4.310 16.868 5.154 1.00 24.42 N ATOM 209 CZ ARG A 16 -4.663 17.249 6.375 1.00 13.23 C ATOM 210 NH1 ARG A 16 -3.838 17.062 7.397 1.00 31.12 N ATOM 211 NH2 ARG A 16 -5.843 17.819 6.580 1.00 43.11 N ATOM 0 H ARG A 16 -1.709 14.551 1.490 1.00 13.44 H new ATOM 0 HA ARG A 16 -2.949 13.353 3.667 1.00 3.50 H new ATOM 0 HB2 ARG A 16 -4.022 15.428 1.714 1.00 12.43 H new ATOM 0 HB3 ARG A 16 -4.697 15.095 3.297 1.00 12.43 H new ATOM 0 HG2 ARG A 16 -1.783 15.795 3.151 1.00 43.21 H new ATOM 0 HG3 ARG A 16 -2.943 17.078 2.869 1.00 43.21 H new ATOM 0 HD2 ARG A 16 -2.995 15.246 5.300 1.00 22.04 H new ATOM 0 HD3 ARG A 16 -2.221 16.818 5.279 1.00 22.04 H new ATOM 0 HE ARG A 16 -4.968 17.026 4.391 1.00 24.42 H new ATOM 0 HH11 ARG A 16 -2.929 16.624 7.245 1.00 31.12 H new ATOM 0 HH12 ARG A 16 -4.112 17.356 8.334 1.00 31.12 H new ATOM 0 HH21 ARG A 16 -6.481 17.965 5.798 1.00 43.11 H new ATOM 0 HH22 ARG A 16 -6.112 18.111 7.520 1.00 43.11 H new ATOM 225 N GLU A 17 -4.713 12.992 0.884 1.00 25.30 N ATOM 226 CA GLU A 17 -5.727 12.161 0.243 1.00 1.14 C ATOM 227 C GLU A 17 -5.229 10.730 0.072 1.00 22.34 C ATOM 228 O GLU A 17 -5.894 9.778 0.476 1.00 71.30 O ATOM 229 CB GLU A 17 -6.111 12.746 -1.119 1.00 13.10 C ATOM 230 CG GLU A 17 -7.548 12.461 -1.520 1.00 74.50 C ATOM 231 CD GLU A 17 -7.759 12.527 -3.020 1.00 73.54 C ATOM 232 OE1 GLU A 17 -8.918 12.381 -3.463 1.00 72.14 O ATOM 233 OE2 GLU A 17 -6.765 12.723 -3.751 1.00 72.04 O ATOM 0 H GLU A 17 -4.385 13.772 0.315 1.00 25.30 H new ATOM 0 HA GLU A 17 -6.607 12.146 0.885 1.00 1.14 H new ATOM 0 HB2 GLU A 17 -5.955 13.825 -1.099 1.00 13.10 H new ATOM 0 HB3 GLU A 17 -5.443 12.342 -1.880 1.00 13.10 H new ATOM 0 HG2 GLU A 17 -7.832 11.472 -1.160 1.00 74.50 H new ATOM 0 HG3 GLU A 17 -8.207 13.180 -1.032 1.00 74.50 H new ATOM 241 N ALA A 18 -4.052 10.588 -0.532 1.00 74.44 N ATOM 242 CA ALA A 18 -3.463 9.273 -0.756 1.00 53.23 C ATOM 243 C ALA A 18 -3.317 8.506 0.555 1.00 63.42 C ATOM 244 O ALA A 18 -3.393 7.278 0.579 1.00 22.50 O ATOM 245 CB ALA A 18 -2.112 9.410 -1.442 1.00 72.41 C ATOM 0 H ALA A 18 -3.489 11.367 -0.874 1.00 74.44 H new ATOM 0 HA ALA A 18 -4.132 8.708 -1.405 1.00 53.23 H new ATOM 0 HB1 ALA A 18 -1.684 8.421 -1.603 1.00 72.41 H new ATOM 0 HB2 ALA A 18 -2.240 9.910 -2.402 1.00 72.41 H new ATOM 0 HB3 ALA A 18 -1.443 9.997 -0.813 1.00 72.41 H new ATOM 251 N TYR A 19 -3.107 9.238 1.642 1.00 12.51 N ATOM 252 CA TYR A 19 -2.947 8.626 2.956 1.00 2.45 C ATOM 253 C TYR A 19 -4.284 8.112 3.484 1.00 33.13 C ATOM 254 O TYR A 19 -4.339 7.106 4.192 1.00 15.31 O ATOM 255 CB TYR A 19 -2.351 9.633 3.942 1.00 20.15 C ATOM 256 CG TYR A 19 -2.396 9.172 5.380 1.00 73.13 C ATOM 257 CD1 TYR A 19 -1.458 8.275 5.875 1.00 35.23 C ATOM 258 CD2 TYR A 19 -3.381 9.634 6.247 1.00 75.31 C ATOM 259 CE1 TYR A 19 -1.496 7.851 7.189 1.00 44.15 C ATOM 260 CE2 TYR A 19 -3.427 9.215 7.563 1.00 31.24 C ATOM 261 CZ TYR A 19 -2.483 8.324 8.029 1.00 11.34 C ATOM 262 OH TYR A 19 -2.525 7.904 9.339 1.00 51.24 O ATOM 0 H TYR A 19 -3.043 10.256 1.640 1.00 12.51 H new ATOM 0 HA TYR A 19 -2.267 7.780 2.854 1.00 2.45 H new ATOM 0 HB2 TYR A 19 -1.315 9.831 3.665 1.00 20.15 H new ATOM 0 HB3 TYR A 19 -2.890 10.576 3.855 1.00 20.15 H new ATOM 0 HD1 TYR A 19 -0.684 7.902 5.220 1.00 35.23 H new ATOM 0 HD2 TYR A 19 -4.122 10.332 5.886 1.00 75.31 H new ATOM 0 HE1 TYR A 19 -0.758 7.154 7.557 1.00 44.15 H new ATOM 0 HE2 TYR A 19 -4.198 9.583 8.223 1.00 31.24 H new ATOM 0 HH TYR A 19 -3.280 8.331 9.795 1.00 51.24 H new ATOM 272 N LYS A 20 -5.358 8.811 3.134 1.00 74.23 N ATOM 273 CA LYS A 20 -6.696 8.426 3.569 1.00 1.44 C ATOM 274 C LYS A 20 -7.230 7.271 2.728 1.00 1.11 C ATOM 275 O LYS A 20 -7.436 6.166 3.231 1.00 41.31 O ATOM 276 CB LYS A 20 -7.647 9.620 3.478 1.00 2.31 C ATOM 277 CG LYS A 20 -8.350 9.940 4.787 1.00 62.44 C ATOM 278 CD LYS A 20 -9.309 11.108 4.633 1.00 4.42 C ATOM 279 CE LYS A 20 -8.588 12.442 4.766 1.00 13.43 C ATOM 280 NZ LYS A 20 -9.537 13.588 4.774 1.00 40.32 N ATOM 0 H LYS A 20 -5.328 9.647 2.550 1.00 74.23 H new ATOM 0 HA LYS A 20 -6.634 8.098 4.607 1.00 1.44 H new ATOM 0 HB2 LYS A 20 -7.086 10.496 3.153 1.00 2.31 H new ATOM 0 HB3 LYS A 20 -8.397 9.419 2.713 1.00 2.31 H new ATOM 0 HG2 LYS A 20 -8.897 9.062 5.132 1.00 62.44 H new ATOM 0 HG3 LYS A 20 -7.609 10.175 5.551 1.00 62.44 H new ATOM 0 HD2 LYS A 20 -9.798 11.053 3.661 1.00 4.42 H new ATOM 0 HD3 LYS A 20 -10.092 11.039 5.388 1.00 4.42 H new ATOM 0 HE2 LYS A 20 -8.003 12.448 5.686 1.00 13.43 H new ATOM 0 HE3 LYS A 20 -7.885 12.559 3.941 1.00 13.43 H new ATOM 0 HZ1 LYS A 20 -9.006 14.478 4.866 1.00 40.32 H new ATOM 0 HZ2 LYS A 20 -10.077 13.598 3.885 1.00 40.32 H new ATOM 0 HZ3 LYS A 20 -10.192 13.491 5.576 1.00 40.32 H new ATOM 294 N LYS A 21 -7.452 7.534 1.446 1.00 62.44 N ATOM 295 CA LYS A 21 -7.960 6.515 0.533 1.00 5.23 C ATOM 296 C LYS A 21 -7.235 5.190 0.739 1.00 64.14 C ATOM 297 O LYS A 21 -7.859 4.129 0.772 1.00 52.24 O ATOM 298 CB LYS A 21 -7.800 6.976 -0.918 1.00 4.42 C ATOM 299 CG LYS A 21 -8.291 8.394 -1.164 1.00 64.44 C ATOM 300 CD LYS A 21 -9.298 8.445 -2.302 1.00 13.34 C ATOM 301 CE LYS A 21 -10.724 8.528 -1.778 1.00 34.12 C ATOM 302 NZ LYS A 21 -11.724 8.430 -2.878 1.00 13.42 N ATOM 0 H LYS A 21 -7.289 8.444 1.014 1.00 62.44 H new ATOM 0 HA LYS A 21 -9.019 6.367 0.746 1.00 5.23 H new ATOM 0 HB2 LYS A 21 -6.748 6.911 -1.197 1.00 4.42 H new ATOM 0 HB3 LYS A 21 -8.346 6.293 -1.570 1.00 4.42 H new ATOM 0 HG2 LYS A 21 -8.748 8.785 -0.255 1.00 64.44 H new ATOM 0 HG3 LYS A 21 -7.443 9.038 -1.398 1.00 64.44 H new ATOM 0 HD2 LYS A 21 -9.091 9.308 -2.935 1.00 13.34 H new ATOM 0 HD3 LYS A 21 -9.189 7.558 -2.926 1.00 13.34 H new ATOM 0 HE2 LYS A 21 -10.894 7.726 -1.059 1.00 34.12 H new ATOM 0 HE3 LYS A 21 -10.861 9.469 -1.245 1.00 34.12 H new ATOM 0 HZ1 LYS A 21 -12.683 8.491 -2.481 1.00 13.42 H new ATOM 0 HZ2 LYS A 21 -11.578 9.210 -3.551 1.00 13.42 H new ATOM 0 HZ3 LYS A 21 -11.610 7.521 -3.371 1.00 13.42 H new ATOM 316 N ALA A 22 -5.915 5.256 0.877 1.00 43.42 N ATOM 317 CA ALA A 22 -5.107 4.061 1.083 1.00 3.35 C ATOM 318 C ALA A 22 -5.528 3.327 2.351 1.00 34.44 C ATOM 319 O ALA A 22 -5.771 2.120 2.328 1.00 55.11 O ATOM 320 CB ALA A 22 -3.632 4.427 1.148 1.00 60.21 C ATOM 0 H ALA A 22 -5.382 6.125 0.850 1.00 43.42 H new ATOM 0 HA ALA A 22 -5.267 3.393 0.237 1.00 3.35 H new ATOM 0 HB1 ALA A 22 -3.040 3.525 1.302 1.00 60.21 H new ATOM 0 HB2 ALA A 22 -3.333 4.902 0.213 1.00 60.21 H new ATOM 0 HB3 ALA A 22 -3.464 5.117 1.975 1.00 60.21 H new ATOM 326 N PHE A 23 -5.612 4.060 3.455 1.00 41.44 N ATOM 327 CA PHE A 23 -6.003 3.477 4.734 1.00 31.32 C ATOM 328 C PHE A 23 -7.501 3.187 4.765 1.00 0.13 C ATOM 329 O PHE A 23 -7.984 2.451 5.625 1.00 72.54 O ATOM 330 CB PHE A 23 -5.629 4.417 5.881 1.00 51.53 C ATOM 331 CG PHE A 23 -4.438 3.954 6.670 1.00 12.41 C ATOM 332 CD1 PHE A 23 -4.561 2.941 7.607 1.00 71.40 C ATOM 333 CD2 PHE A 23 -3.194 4.534 6.476 1.00 63.35 C ATOM 334 CE1 PHE A 23 -3.466 2.513 8.333 1.00 14.32 C ATOM 335 CE2 PHE A 23 -2.096 4.111 7.200 1.00 70.15 C ATOM 336 CZ PHE A 23 -2.232 3.099 8.131 1.00 10.44 C ATOM 0 H PHE A 23 -5.415 5.060 3.491 1.00 41.44 H new ATOM 0 HA PHE A 23 -5.467 2.536 4.855 1.00 31.32 H new ATOM 0 HB2 PHE A 23 -5.424 5.408 5.476 1.00 51.53 H new ATOM 0 HB3 PHE A 23 -6.483 4.517 6.551 1.00 51.53 H new ATOM 0 HD1 PHE A 23 -5.524 2.480 7.772 1.00 71.40 H new ATOM 0 HD2 PHE A 23 -3.082 5.326 5.750 1.00 63.35 H new ATOM 0 HE1 PHE A 23 -3.575 1.720 9.058 1.00 14.32 H new ATOM 0 HE2 PHE A 23 -1.132 4.571 7.038 1.00 70.15 H new ATOM 0 HZ PHE A 23 -1.376 2.767 8.699 1.00 10.44 H new ATOM 346 N LEU A 24 -8.229 3.773 3.821 1.00 65.13 N ATOM 347 CA LEU A 24 -9.673 3.579 3.739 1.00 52.03 C ATOM 348 C LEU A 24 -10.008 2.166 3.273 1.00 34.12 C ATOM 349 O LEU A 24 -10.750 1.442 3.935 1.00 43.40 O ATOM 350 CB LEU A 24 -10.292 4.603 2.785 1.00 60.40 C ATOM 351 CG LEU A 24 -11.485 4.117 1.961 1.00 22.11 C ATOM 352 CD1 LEU A 24 -12.706 3.934 2.847 1.00 63.35 C ATOM 353 CD2 LEU A 24 -11.784 5.091 0.831 1.00 4.42 C ATOM 0 H LEU A 24 -7.844 4.386 3.102 1.00 65.13 H new ATOM 0 HA LEU A 24 -10.090 3.721 4.736 1.00 52.03 H new ATOM 0 HB2 LEU A 24 -10.607 5.469 3.368 1.00 60.40 H new ATOM 0 HB3 LEU A 24 -9.517 4.945 2.099 1.00 60.40 H new ATOM 0 HG LEU A 24 -11.232 3.151 1.524 1.00 22.11 H new ATOM 0 HD11 LEU A 24 -13.545 3.588 2.243 1.00 63.35 H new ATOM 0 HD12 LEU A 24 -12.487 3.198 3.620 1.00 63.35 H new ATOM 0 HD13 LEU A 24 -12.963 4.885 3.314 1.00 63.35 H new ATOM 0 HD21 LEU A 24 -12.636 4.729 0.255 1.00 4.42 H new ATOM 0 HD22 LEU A 24 -12.017 6.071 1.247 1.00 4.42 H new ATOM 0 HD23 LEU A 24 -10.913 5.171 0.180 1.00 4.42 H new ATOM 365 N PHE A 25 -9.452 1.779 2.129 1.00 52.34 N ATOM 366 CA PHE A 25 -9.690 0.451 1.575 1.00 74.21 C ATOM 367 C PHE A 25 -9.080 -0.627 2.465 1.00 32.21 C ATOM 368 O PHE A 25 -9.541 -1.768 2.483 1.00 23.30 O ATOM 369 CB PHE A 25 -9.107 0.353 0.164 1.00 44.40 C ATOM 370 CG PHE A 25 -9.874 1.145 -0.857 1.00 31.45 C ATOM 371 CD1 PHE A 25 -11.109 0.707 -1.307 1.00 22.24 C ATOM 372 CD2 PHE A 25 -9.358 2.325 -1.367 1.00 24.13 C ATOM 373 CE1 PHE A 25 -11.817 1.434 -2.247 1.00 35.53 C ATOM 374 CE2 PHE A 25 -10.061 3.056 -2.306 1.00 20.50 C ATOM 375 CZ PHE A 25 -11.291 2.609 -2.748 1.00 42.32 C ATOM 0 H PHE A 25 -8.834 2.366 1.568 1.00 52.34 H new ATOM 0 HA PHE A 25 -10.767 0.292 1.528 1.00 74.21 H new ATOM 0 HB2 PHE A 25 -8.074 0.701 0.181 1.00 44.40 H new ATOM 0 HB3 PHE A 25 -9.086 -0.693 -0.140 1.00 44.40 H new ATOM 0 HD1 PHE A 25 -11.523 -0.212 -0.920 1.00 22.24 H new ATOM 0 HD2 PHE A 25 -8.396 2.678 -1.027 1.00 24.13 H new ATOM 0 HE1 PHE A 25 -12.780 1.083 -2.589 1.00 35.53 H new ATOM 0 HE2 PHE A 25 -9.649 3.976 -2.694 1.00 20.50 H new ATOM 0 HZ PHE A 25 -11.840 3.177 -3.484 1.00 42.32 H new ATOM 385 N VAL A 26 -8.039 -0.257 3.205 1.00 22.31 N ATOM 386 CA VAL A 26 -7.365 -1.192 4.099 1.00 23.35 C ATOM 387 C VAL A 26 -8.315 -1.707 5.173 1.00 54.14 C ATOM 388 O VAL A 26 -8.710 -2.871 5.161 1.00 75.25 O ATOM 389 CB VAL A 26 -6.145 -0.539 4.776 1.00 74.41 C ATOM 390 CG1 VAL A 26 -5.720 -1.342 5.996 1.00 72.13 C ATOM 391 CG2 VAL A 26 -4.995 -0.407 3.788 1.00 72.14 C ATOM 0 H VAL A 26 -7.644 0.683 3.203 1.00 22.31 H new ATOM 0 HA VAL A 26 -7.027 -2.028 3.487 1.00 23.35 H new ATOM 0 HB VAL A 26 -6.426 0.461 5.107 1.00 74.41 H new ATOM 0 HG11 VAL A 26 -4.857 -0.867 6.462 1.00 72.13 H new ATOM 0 HG12 VAL A 26 -6.542 -1.381 6.710 1.00 72.13 H new ATOM 0 HG13 VAL A 26 -5.456 -2.355 5.691 1.00 72.13 H new ATOM 0 HG21 VAL A 26 -4.141 0.056 4.283 1.00 72.14 H new ATOM 0 HG22 VAL A 26 -4.712 -1.395 3.425 1.00 72.14 H new ATOM 0 HG23 VAL A 26 -5.307 0.213 2.947 1.00 72.14 H new ATOM 401 N ASN A 27 -8.679 -0.829 6.103 1.00 50.25 N ATOM 402 CA ASN A 27 -9.584 -1.195 7.187 1.00 71.23 C ATOM 403 C ASN A 27 -10.673 -2.141 6.690 1.00 52.35 C ATOM 404 O ASN A 27 -11.018 -3.115 7.360 1.00 43.31 O ATOM 405 CB ASN A 27 -10.220 0.058 7.793 1.00 35.53 C ATOM 406 CG ASN A 27 -10.745 -0.182 9.195 1.00 44.42 C ATOM 407 OD1 ASN A 27 -11.956 -0.250 9.412 1.00 61.04 O ATOM 408 ND2 ASN A 27 -9.838 -0.310 10.154 1.00 11.14 N ATOM 0 H ASN A 27 -8.361 0.140 6.128 1.00 50.25 H new ATOM 0 HA ASN A 27 -9.004 -1.708 7.954 1.00 71.23 H new ATOM 0 HB2 ASN A 27 -9.484 0.861 7.816 1.00 35.53 H new ATOM 0 HB3 ASN A 27 -11.037 0.393 7.154 1.00 35.53 H new ATOM 0 HD21 ASN A 27 -10.133 -0.472 11.117 1.00 11.14 H new ATOM 0 HD22 ASN A 27 -8.845 -0.247 9.929 1.00 11.14 H new ATOM 415 N LYS A 28 -11.212 -1.848 5.511 1.00 34.22 N ATOM 416 CA LYS A 28 -12.260 -2.673 4.922 1.00 31.45 C ATOM 417 C LYS A 28 -11.778 -4.107 4.725 1.00 52.54 C ATOM 418 O LYS A 28 -12.391 -5.051 5.222 1.00 31.24 O ATOM 419 CB LYS A 28 -12.705 -2.086 3.580 1.00 50.42 C ATOM 420 CG LYS A 28 -13.758 -0.999 3.713 1.00 71.12 C ATOM 421 CD LYS A 28 -13.551 0.106 2.691 1.00 10.15 C ATOM 422 CE LYS A 28 -14.865 0.780 2.324 1.00 32.42 C ATOM 423 NZ LYS A 28 -15.825 -0.175 1.707 1.00 22.32 N ATOM 0 H LYS A 28 -10.940 -1.045 4.944 1.00 34.22 H new ATOM 0 HA LYS A 28 -13.107 -2.684 5.607 1.00 31.45 H new ATOM 0 HB2 LYS A 28 -11.836 -1.677 3.065 1.00 50.42 H new ATOM 0 HB3 LYS A 28 -13.098 -2.887 2.955 1.00 50.42 H new ATOM 0 HG2 LYS A 28 -14.749 -1.434 3.584 1.00 71.12 H new ATOM 0 HG3 LYS A 28 -13.723 -0.578 4.718 1.00 71.12 H new ATOM 0 HD2 LYS A 28 -12.860 0.848 3.091 1.00 10.15 H new ATOM 0 HD3 LYS A 28 -13.090 -0.308 1.794 1.00 10.15 H new ATOM 0 HE2 LYS A 28 -15.311 1.217 3.218 1.00 32.42 H new ATOM 0 HE3 LYS A 28 -14.672 1.599 1.631 1.00 32.42 H new ATOM 0 HZ1 LYS A 28 -16.371 0.311 0.967 1.00 22.32 H new ATOM 0 HZ2 LYS A 28 -15.302 -0.969 1.286 1.00 22.32 H new ATOM 0 HZ3 LYS A 28 -16.473 -0.535 2.436 1.00 22.32 H new ATOM 437 N GLY A 29 -10.675 -4.262 3.999 1.00 21.42 N ATOM 438 CA GLY A 29 -10.130 -5.585 3.751 1.00 42.42 C ATOM 439 C GLY A 29 -10.182 -6.472 4.979 1.00 12.44 C ATOM 440 O GLY A 29 -10.813 -7.529 4.964 1.00 55.15 O ATOM 0 H GLY A 29 -10.149 -3.496 3.578 1.00 21.42 H new ATOM 0 HA2 GLY A 29 -10.686 -6.058 2.941 1.00 42.42 H new ATOM 0 HA3 GLY A 29 -9.097 -5.492 3.417 1.00 42.42 H new ATOM 444 N LEU A 30 -9.515 -6.044 6.045 1.00 13.41 N ATOM 445 CA LEU A 30 -9.487 -6.808 7.288 1.00 13.42 C ATOM 446 C LEU A 30 -10.900 -7.109 7.775 1.00 21.41 C ATOM 447 O LEU A 30 -11.238 -8.258 8.057 1.00 72.32 O ATOM 448 CB LEU A 30 -8.718 -6.040 8.364 1.00 50.30 C ATOM 449 CG LEU A 30 -7.399 -5.402 7.923 1.00 73.34 C ATOM 450 CD1 LEU A 30 -6.764 -6.215 6.805 1.00 22.24 C ATOM 451 CD2 LEU A 30 -7.626 -3.964 7.477 1.00 30.11 C ATOM 0 H LEU A 30 -8.986 -5.172 6.074 1.00 13.41 H new ATOM 0 HA LEU A 30 -8.981 -7.754 7.093 1.00 13.42 H new ATOM 0 HB2 LEU A 30 -9.366 -5.255 8.754 1.00 50.30 H new ATOM 0 HB3 LEU A 30 -8.511 -6.721 9.189 1.00 50.30 H new ATOM 0 HG LEU A 30 -6.717 -5.394 8.773 1.00 73.34 H new ATOM 0 HD11 LEU A 30 -5.827 -5.748 6.503 1.00 22.24 H new ATOM 0 HD12 LEU A 30 -6.568 -7.227 7.158 1.00 22.24 H new ATOM 0 HD13 LEU A 30 -7.442 -6.253 5.952 1.00 22.24 H new ATOM 0 HD21 LEU A 30 -6.678 -3.525 7.167 1.00 30.11 H new ATOM 0 HD22 LEU A 30 -8.324 -3.949 6.640 1.00 30.11 H new ATOM 0 HD23 LEU A 30 -8.039 -3.387 8.305 1.00 30.11 H new ATOM 463 N ASN A 31 -11.724 -6.070 7.868 1.00 14.14 N ATOM 464 CA ASN A 31 -13.102 -6.224 8.319 1.00 14.33 C ATOM 465 C ASN A 31 -13.763 -7.423 7.647 1.00 71.33 C ATOM 466 O ASN A 31 -14.388 -8.254 8.307 1.00 60.30 O ATOM 467 CB ASN A 31 -13.902 -4.953 8.025 1.00 34.34 C ATOM 468 CG ASN A 31 -15.244 -5.251 7.386 1.00 53.00 C ATOM 469 OD1 ASN A 31 -15.338 -5.450 6.175 1.00 31.22 O ATOM 470 ND2 ASN A 31 -16.292 -5.284 8.201 1.00 41.15 N ATOM 0 H ASN A 31 -11.461 -5.112 7.637 1.00 14.14 H new ATOM 0 HA ASN A 31 -13.089 -6.395 9.395 1.00 14.33 H new ATOM 0 HB2 ASN A 31 -14.058 -4.402 8.953 1.00 34.34 H new ATOM 0 HB3 ASN A 31 -13.323 -4.307 7.365 1.00 34.34 H new ATOM 0 HD21 ASN A 31 -17.221 -5.480 7.829 1.00 41.15 H new ATOM 0 HD22 ASN A 31 -16.168 -5.113 9.199 1.00 41.15 H new ATOM 477 N THR A 32 -13.621 -7.507 6.328 1.00 65.10 N ATOM 478 CA THR A 32 -14.204 -8.603 5.565 1.00 22.00 C ATOM 479 C THR A 32 -13.519 -9.925 5.889 1.00 5.14 C ATOM 480 O THR A 32 -14.162 -10.876 6.334 1.00 61.45 O ATOM 481 CB THR A 32 -14.108 -8.345 4.049 1.00 24.01 C ATOM 482 OG1 THR A 32 -13.052 -7.418 3.775 1.00 4.35 O ATOM 483 CG2 THR A 32 -15.421 -7.801 3.507 1.00 74.03 C ATOM 0 H THR A 32 -13.107 -6.829 5.766 1.00 65.10 H new ATOM 0 HA THR A 32 -15.254 -8.663 5.850 1.00 22.00 H new ATOM 0 HB THR A 32 -13.895 -9.293 3.555 1.00 24.01 H new ATOM 0 HG1 THR A 32 -12.193 -7.816 4.029 1.00 4.35 H new ATOM 0 HG21 THR A 32 -15.328 -7.627 2.435 1.00 74.03 H new ATOM 0 HG22 THR A 32 -16.217 -8.523 3.690 1.00 74.03 H new ATOM 0 HG23 THR A 32 -15.660 -6.863 4.007 1.00 74.03 H new ATOM 491 N ASP A 33 -12.212 -9.979 5.664 1.00 1.14 N ATOM 492 CA ASP A 33 -11.437 -11.185 5.934 1.00 21.10 C ATOM 493 C ASP A 33 -11.809 -11.775 7.291 1.00 72.54 C ATOM 494 O ASP A 33 -11.897 -12.994 7.443 1.00 43.24 O ATOM 495 CB ASP A 33 -9.940 -10.876 5.892 1.00 23.41 C ATOM 496 CG ASP A 33 -9.118 -11.896 6.655 1.00 10.14 C ATOM 497 OD1 ASP A 33 -9.314 -12.018 7.882 1.00 54.30 O ATOM 498 OD2 ASP A 33 -8.277 -12.570 6.025 1.00 72.34 O ATOM 0 H ASP A 33 -11.665 -9.201 5.295 1.00 1.14 H new ATOM 0 HA ASP A 33 -11.670 -11.918 5.161 1.00 21.10 H new ATOM 0 HB2 ASP A 33 -9.607 -10.847 4.855 1.00 23.41 H new ATOM 0 HB3 ASP A 33 -9.764 -9.885 6.311 1.00 23.41 H new ATOM 504 N GLU A 34 -12.024 -10.905 8.271 1.00 53.22 N ATOM 505 CA GLU A 34 -12.386 -11.342 9.614 1.00 35.33 C ATOM 506 C GLU A 34 -13.827 -11.841 9.657 1.00 3.05 C ATOM 507 O GLU A 34 -14.183 -12.678 10.487 1.00 32.25 O ATOM 508 CB GLU A 34 -12.199 -10.198 10.614 1.00 50.14 C ATOM 509 CG GLU A 34 -10.818 -10.160 11.247 1.00 53.04 C ATOM 510 CD GLU A 34 -10.517 -11.402 12.064 1.00 14.31 C ATOM 511 OE1 GLU A 34 -11.367 -12.318 12.086 1.00 4.14 O ATOM 512 OE2 GLU A 34 -9.434 -11.457 12.684 1.00 64.43 O ATOM 0 H GLU A 34 -11.954 -9.893 8.161 1.00 53.22 H new ATOM 0 HA GLU A 34 -11.728 -12.167 9.889 1.00 35.33 H new ATOM 0 HB2 GLU A 34 -12.383 -9.251 10.107 1.00 50.14 H new ATOM 0 HB3 GLU A 34 -12.947 -10.289 11.401 1.00 50.14 H new ATOM 0 HG2 GLU A 34 -10.067 -10.053 10.465 1.00 53.04 H new ATOM 0 HG3 GLU A 34 -10.739 -9.281 11.887 1.00 53.04 H new ATOM 520 N LEU A 35 -14.653 -11.319 8.756 1.00 61.31 N ATOM 521 CA LEU A 35 -16.056 -11.710 8.690 1.00 64.34 C ATOM 522 C LEU A 35 -16.228 -12.985 7.870 1.00 4.45 C ATOM 523 O LEU A 35 -17.200 -13.719 8.042 1.00 74.21 O ATOM 524 CB LEU A 35 -16.892 -10.582 8.080 1.00 0.41 C ATOM 525 CG LEU A 35 -17.208 -9.406 9.005 1.00 21.34 C ATOM 526 CD1 LEU A 35 -17.856 -8.273 8.225 1.00 73.32 C ATOM 527 CD2 LEU A 35 -18.107 -9.853 10.147 1.00 54.34 C ATOM 0 H LEU A 35 -14.375 -10.625 8.062 1.00 61.31 H new ATOM 0 HA LEU A 35 -16.402 -11.903 9.705 1.00 64.34 H new ATOM 0 HB2 LEU A 35 -16.366 -10.199 7.205 1.00 0.41 H new ATOM 0 HB3 LEU A 35 -17.833 -11.004 7.727 1.00 0.41 H new ATOM 0 HG LEU A 35 -16.273 -9.039 9.428 1.00 21.34 H new ATOM 0 HD11 LEU A 35 -18.074 -7.445 8.899 1.00 73.32 H new ATOM 0 HD12 LEU A 35 -17.177 -7.935 7.443 1.00 73.32 H new ATOM 0 HD13 LEU A 35 -18.783 -8.626 7.773 1.00 73.32 H new ATOM 0 HD21 LEU A 35 -18.322 -9.003 10.795 1.00 54.34 H new ATOM 0 HD22 LEU A 35 -19.040 -10.246 9.743 1.00 54.34 H new ATOM 0 HD23 LEU A 35 -17.605 -10.631 10.722 1.00 54.34 H new ATOM 539 N GLY A 36 -15.277 -13.242 6.977 1.00 31.51 N ATOM 540 CA GLY A 36 -15.341 -14.430 6.146 1.00 62.25 C ATOM 541 C GLY A 36 -15.160 -14.117 4.674 1.00 71.14 C ATOM 542 O GLY A 36 -14.553 -14.895 3.939 1.00 60.15 O ATOM 0 H GLY A 36 -14.463 -12.649 6.814 1.00 31.51 H new ATOM 0 HA2 GLY A 36 -14.571 -15.133 6.462 1.00 62.25 H new ATOM 0 HA3 GLY A 36 -16.302 -14.922 6.294 1.00 62.25 H new ATOM 546 N GLN A 37 -15.690 -12.977 4.243 1.00 21.02 N ATOM 547 CA GLN A 37 -15.584 -12.565 2.848 1.00 63.12 C ATOM 548 C GLN A 37 -14.128 -12.349 2.453 1.00 42.13 C ATOM 549 O GLN A 37 -13.519 -11.340 2.810 1.00 2.24 O ATOM 550 CB GLN A 37 -16.386 -11.285 2.611 1.00 61.23 C ATOM 551 CG GLN A 37 -17.601 -11.150 3.515 1.00 72.31 C ATOM 552 CD GLN A 37 -18.229 -12.490 3.850 1.00 11.41 C ATOM 553 OE1 GLN A 37 -18.587 -13.260 2.959 1.00 61.03 O ATOM 554 NE2 GLN A 37 -18.368 -12.772 5.140 1.00 62.21 N ATOM 0 H GLN A 37 -16.197 -12.323 4.839 1.00 21.02 H new ATOM 0 HA GLN A 37 -15.994 -13.362 2.227 1.00 63.12 H new ATOM 0 HB2 GLN A 37 -15.734 -10.425 2.762 1.00 61.23 H new ATOM 0 HB3 GLN A 37 -16.713 -11.258 1.571 1.00 61.23 H new ATOM 0 HG2 GLN A 37 -17.309 -10.649 4.438 1.00 72.31 H new ATOM 0 HG3 GLN A 37 -18.343 -10.516 3.029 1.00 72.31 H new ATOM 0 HE21 GLN A 37 -18.057 -12.103 5.845 1.00 62.21 H new ATOM 0 HE22 GLN A 37 -18.786 -13.657 5.426 1.00 62.21 H new ATOM 563 N LYS A 38 -13.572 -13.301 1.712 1.00 72.35 N ATOM 564 CA LYS A 38 -12.187 -13.216 1.265 1.00 40.25 C ATOM 565 C LYS A 38 -12.089 -12.476 -0.065 1.00 21.03 C ATOM 566 O LYS A 38 -11.212 -11.633 -0.251 1.00 64.12 O ATOM 567 CB LYS A 38 -11.587 -14.617 1.126 1.00 73.34 C ATOM 568 CG LYS A 38 -11.917 -15.538 2.288 1.00 75.23 C ATOM 569 CD LYS A 38 -11.311 -15.036 3.588 1.00 51.14 C ATOM 570 CE LYS A 38 -11.515 -16.031 4.720 1.00 62.52 C ATOM 571 NZ LYS A 38 -10.416 -17.033 4.783 1.00 32.43 N ATOM 0 H LYS A 38 -14.061 -14.143 1.408 1.00 72.35 H new ATOM 0 HA LYS A 38 -11.624 -12.659 2.014 1.00 40.25 H new ATOM 0 HB2 LYS A 38 -11.949 -15.068 0.202 1.00 73.34 H new ATOM 0 HB3 LYS A 38 -10.504 -14.532 1.037 1.00 73.34 H new ATOM 0 HG2 LYS A 38 -12.999 -15.615 2.396 1.00 75.23 H new ATOM 0 HG3 LYS A 38 -11.545 -16.540 2.076 1.00 75.23 H new ATOM 0 HD2 LYS A 38 -10.245 -14.856 3.448 1.00 51.14 H new ATOM 0 HD3 LYS A 38 -11.763 -14.081 3.856 1.00 51.14 H new ATOM 0 HE2 LYS A 38 -11.573 -15.496 5.668 1.00 62.52 H new ATOM 0 HE3 LYS A 38 -12.467 -16.544 4.585 1.00 62.52 H new ATOM 0 HZ1 LYS A 38 -10.592 -17.693 5.567 1.00 32.43 H new ATOM 0 HZ2 LYS A 38 -10.376 -17.562 3.888 1.00 32.43 H new ATOM 0 HZ3 LYS A 38 -9.510 -16.546 4.937 1.00 32.43 H new ATOM 585 N GLU A 39 -12.995 -12.795 -0.983 1.00 51.31 N ATOM 586 CA GLU A 39 -13.009 -12.158 -2.295 1.00 51.24 C ATOM 587 C GLU A 39 -12.823 -10.649 -2.169 1.00 50.03 C ATOM 588 O GLU A 39 -11.803 -10.103 -2.589 1.00 3.34 O ATOM 589 CB GLU A 39 -14.323 -12.461 -3.020 1.00 24.42 C ATOM 590 CG GLU A 39 -14.894 -13.832 -2.695 1.00 4.42 C ATOM 591 CD GLU A 39 -15.654 -14.437 -3.859 1.00 50.01 C ATOM 592 OE1 GLU A 39 -15.544 -13.901 -4.981 1.00 32.20 O ATOM 593 OE2 GLU A 39 -16.359 -15.447 -3.647 1.00 3.43 O ATOM 0 H GLU A 39 -13.728 -13.490 -0.843 1.00 51.31 H new ATOM 0 HA GLU A 39 -12.180 -12.562 -2.875 1.00 51.24 H new ATOM 0 HB2 GLU A 39 -15.057 -11.699 -2.758 1.00 24.42 H new ATOM 0 HB3 GLU A 39 -14.160 -12.390 -4.095 1.00 24.42 H new ATOM 0 HG2 GLU A 39 -14.083 -14.501 -2.408 1.00 4.42 H new ATOM 0 HG3 GLU A 39 -15.559 -13.750 -1.835 1.00 4.42 H new ATOM 601 N GLU A 40 -13.815 -9.982 -1.588 1.00 23.23 N ATOM 602 CA GLU A 40 -13.761 -8.536 -1.409 1.00 3.30 C ATOM 603 C GLU A 40 -12.465 -8.122 -0.718 1.00 2.13 C ATOM 604 O GLU A 40 -11.874 -7.094 -1.050 1.00 12.32 O ATOM 605 CB GLU A 40 -14.962 -8.054 -0.592 1.00 75.54 C ATOM 606 CG GLU A 40 -15.873 -7.105 -1.350 1.00 61.25 C ATOM 607 CD GLU A 40 -16.852 -6.387 -0.442 1.00 2.32 C ATOM 608 OE1 GLU A 40 -16.732 -6.531 0.792 1.00 53.13 O ATOM 609 OE2 GLU A 40 -17.738 -5.678 -0.965 1.00 73.12 O ATOM 0 H GLU A 40 -14.665 -10.420 -1.233 1.00 23.23 H new ATOM 0 HA GLU A 40 -13.792 -8.073 -2.395 1.00 3.30 H new ATOM 0 HB2 GLU A 40 -15.541 -8.919 -0.268 1.00 75.54 H new ATOM 0 HB3 GLU A 40 -14.602 -7.557 0.309 1.00 75.54 H new ATOM 0 HG2 GLU A 40 -15.266 -6.369 -1.878 1.00 61.25 H new ATOM 0 HG3 GLU A 40 -16.426 -7.664 -2.105 1.00 61.25 H new ATOM 617 N ALA A 41 -12.029 -8.929 0.243 1.00 23.53 N ATOM 618 CA ALA A 41 -10.802 -8.649 0.979 1.00 5.01 C ATOM 619 C ALA A 41 -9.609 -8.534 0.035 1.00 72.00 C ATOM 620 O ALA A 41 -9.054 -7.452 -0.153 1.00 53.34 O ATOM 621 CB ALA A 41 -10.553 -9.730 2.019 1.00 12.34 C ATOM 0 H ALA A 41 -12.507 -9.783 0.531 1.00 23.53 H new ATOM 0 HA ALA A 41 -10.922 -7.692 1.487 1.00 5.01 H new ATOM 0 HB1 ALA A 41 -9.634 -9.508 2.561 1.00 12.34 H new ATOM 0 HB2 ALA A 41 -11.388 -9.761 2.719 1.00 12.34 H new ATOM 0 HB3 ALA A 41 -10.458 -10.696 1.524 1.00 12.34 H new ATOM 627 N LYS A 42 -9.219 -9.659 -0.557 1.00 44.45 N ATOM 628 CA LYS A 42 -8.093 -9.686 -1.483 1.00 52.33 C ATOM 629 C LYS A 42 -8.080 -8.439 -2.361 1.00 14.34 C ATOM 630 O LYS A 42 -7.026 -7.854 -2.608 1.00 61.11 O ATOM 631 CB LYS A 42 -8.157 -10.938 -2.359 1.00 72.30 C ATOM 632 CG LYS A 42 -7.129 -11.994 -1.988 1.00 3.41 C ATOM 633 CD LYS A 42 -7.550 -13.374 -2.462 1.00 4.10 C ATOM 634 CE LYS A 42 -8.677 -13.936 -1.610 1.00 21.13 C ATOM 635 NZ LYS A 42 -9.946 -14.064 -2.380 1.00 11.51 N ATOM 0 H LYS A 42 -9.667 -10.564 -0.411 1.00 44.45 H new ATOM 0 HA LYS A 42 -7.174 -9.706 -0.897 1.00 52.33 H new ATOM 0 HB2 LYS A 42 -9.154 -11.372 -2.285 1.00 72.30 H new ATOM 0 HB3 LYS A 42 -8.011 -10.651 -3.400 1.00 72.30 H new ATOM 0 HG2 LYS A 42 -6.166 -11.736 -2.428 1.00 3.41 H new ATOM 0 HG3 LYS A 42 -6.993 -12.006 -0.907 1.00 3.41 H new ATOM 0 HD2 LYS A 42 -7.871 -13.320 -3.502 1.00 4.10 H new ATOM 0 HD3 LYS A 42 -6.695 -14.049 -2.427 1.00 4.10 H new ATOM 0 HE2 LYS A 42 -8.387 -14.913 -1.223 1.00 21.13 H new ATOM 0 HE3 LYS A 42 -8.839 -13.288 -0.749 1.00 21.13 H new ATOM 0 HZ1 LYS A 42 -10.709 -14.370 -1.743 1.00 11.51 H new ATOM 0 HZ2 LYS A 42 -10.192 -13.144 -2.799 1.00 11.51 H new ATOM 0 HZ3 LYS A 42 -9.824 -14.767 -3.136 1.00 11.51 H new ATOM 649 N ASN A 43 -9.258 -8.035 -2.827 1.00 55.40 N ATOM 650 CA ASN A 43 -9.381 -6.857 -3.675 1.00 3.24 C ATOM 651 C ASN A 43 -9.076 -5.585 -2.889 1.00 32.14 C ATOM 652 O ASN A 43 -8.211 -4.797 -3.274 1.00 54.20 O ATOM 653 CB ASN A 43 -10.787 -6.776 -4.271 1.00 44.43 C ATOM 654 CG ASN A 43 -11.015 -5.493 -5.045 1.00 24.32 C ATOM 655 OD1 ASN A 43 -10.075 -4.899 -5.576 1.00 73.01 O ATOM 656 ND2 ASN A 43 -12.268 -5.056 -5.117 1.00 35.52 N ATOM 0 H ASN A 43 -10.141 -8.507 -2.631 1.00 55.40 H new ATOM 0 HA ASN A 43 -8.655 -6.946 -4.483 1.00 3.24 H new ATOM 0 HB2 ASN A 43 -10.948 -7.628 -4.931 1.00 44.43 H new ATOM 0 HB3 ASN A 43 -11.523 -6.849 -3.470 1.00 44.43 H new ATOM 0 HD21 ASN A 43 -12.481 -4.198 -5.627 1.00 35.52 H new ATOM 0 HD22 ASN A 43 -13.017 -5.578 -4.663 1.00 35.52 H new ATOM 663 N TYR A 44 -9.791 -5.392 -1.786 1.00 52.11 N ATOM 664 CA TYR A 44 -9.599 -4.216 -0.946 1.00 31.43 C ATOM 665 C TYR A 44 -8.123 -3.834 -0.875 1.00 11.40 C ATOM 666 O TYR A 44 -7.756 -2.683 -1.112 1.00 12.32 O ATOM 667 CB TYR A 44 -10.139 -4.475 0.462 1.00 64.03 C ATOM 668 CG TYR A 44 -11.615 -4.180 0.607 1.00 73.31 C ATOM 669 CD1 TYR A 44 -12.144 -2.961 0.198 1.00 74.14 C ATOM 670 CD2 TYR A 44 -12.481 -5.121 1.150 1.00 35.23 C ATOM 671 CE1 TYR A 44 -13.491 -2.689 0.331 1.00 54.33 C ATOM 672 CE2 TYR A 44 -13.830 -4.858 1.285 1.00 25.01 C ATOM 673 CZ TYR A 44 -14.330 -3.640 0.874 1.00 44.10 C ATOM 674 OH TYR A 44 -15.674 -3.372 1.006 1.00 41.41 O ATOM 0 H TYR A 44 -10.509 -6.035 -1.453 1.00 52.11 H new ATOM 0 HA TYR A 44 -10.150 -3.388 -1.392 1.00 31.43 H new ATOM 0 HB2 TYR A 44 -9.957 -5.517 0.726 1.00 64.03 H new ATOM 0 HB3 TYR A 44 -9.583 -3.864 1.174 1.00 64.03 H new ATOM 0 HD1 TYR A 44 -11.491 -2.215 -0.230 1.00 74.14 H new ATOM 0 HD2 TYR A 44 -12.092 -6.076 1.472 1.00 35.23 H new ATOM 0 HE1 TYR A 44 -13.886 -1.736 0.011 1.00 54.33 H new ATOM 0 HE2 TYR A 44 -14.489 -5.601 1.709 1.00 25.01 H new ATOM 0 HH TYR A 44 -16.124 -4.146 1.405 1.00 41.41 H new ATOM 684 N TYR A 45 -7.282 -4.807 -0.546 1.00 73.12 N ATOM 685 CA TYR A 45 -5.846 -4.574 -0.440 1.00 52.32 C ATOM 686 C TYR A 45 -5.280 -4.057 -1.758 1.00 60.40 C ATOM 687 O TYR A 45 -4.653 -2.999 -1.808 1.00 12.34 O ATOM 688 CB TYR A 45 -5.128 -5.862 -0.033 1.00 14.44 C ATOM 689 CG TYR A 45 -5.665 -6.478 1.240 1.00 75.42 C ATOM 690 CD1 TYR A 45 -5.397 -5.909 2.478 1.00 72.02 C ATOM 691 CD2 TYR A 45 -6.440 -7.629 1.202 1.00 54.14 C ATOM 692 CE1 TYR A 45 -5.886 -6.469 3.643 1.00 20.30 C ATOM 693 CE2 TYR A 45 -6.935 -8.197 2.361 1.00 24.24 C ATOM 694 CZ TYR A 45 -6.654 -7.614 3.578 1.00 12.32 C ATOM 695 OH TYR A 45 -7.143 -8.174 4.737 1.00 24.23 O ATOM 0 H TYR A 45 -7.569 -5.765 -0.348 1.00 73.12 H new ATOM 0 HA TYR A 45 -5.682 -3.817 0.327 1.00 52.32 H new ATOM 0 HB2 TYR A 45 -5.214 -6.587 -0.842 1.00 14.44 H new ATOM 0 HB3 TYR A 45 -4.066 -5.651 0.095 1.00 14.44 H new ATOM 0 HD1 TYR A 45 -4.796 -5.013 2.531 1.00 72.02 H new ATOM 0 HD2 TYR A 45 -6.660 -8.089 0.250 1.00 54.14 H new ATOM 0 HE1 TYR A 45 -5.669 -6.014 4.598 1.00 20.30 H new ATOM 0 HE2 TYR A 45 -7.538 -9.092 2.313 1.00 24.24 H new ATOM 0 HH TYR A 45 -7.665 -8.974 4.519 1.00 24.23 H new ATOM 705 N LYS A 46 -5.506 -4.812 -2.829 1.00 51.13 N ATOM 706 CA LYS A 46 -5.023 -4.433 -4.150 1.00 13.12 C ATOM 707 C LYS A 46 -5.301 -2.959 -4.429 1.00 54.15 C ATOM 708 O LYS A 46 -4.575 -2.314 -5.184 1.00 31.44 O ATOM 709 CB LYS A 46 -5.680 -5.301 -5.226 1.00 41.41 C ATOM 710 CG LYS A 46 -4.840 -6.496 -5.641 1.00 62.03 C ATOM 711 CD LYS A 46 -5.656 -7.501 -6.438 1.00 3.30 C ATOM 712 CE LYS A 46 -4.762 -8.421 -7.253 1.00 25.44 C ATOM 713 NZ LYS A 46 -5.081 -8.360 -8.708 1.00 74.15 N ATOM 0 H LYS A 46 -6.022 -5.692 -2.806 1.00 51.13 H new ATOM 0 HA LYS A 46 -3.945 -4.592 -4.174 1.00 13.12 H new ATOM 0 HB2 LYS A 46 -6.643 -5.655 -4.857 1.00 41.41 H new ATOM 0 HB3 LYS A 46 -5.881 -4.687 -6.104 1.00 41.41 H new ATOM 0 HG2 LYS A 46 -3.994 -6.157 -6.239 1.00 62.03 H new ATOM 0 HG3 LYS A 46 -4.431 -6.980 -4.754 1.00 62.03 H new ATOM 0 HD2 LYS A 46 -6.268 -8.094 -5.759 1.00 3.30 H new ATOM 0 HD3 LYS A 46 -6.338 -6.972 -7.103 1.00 3.30 H new ATOM 0 HE2 LYS A 46 -3.719 -8.145 -7.098 1.00 25.44 H new ATOM 0 HE3 LYS A 46 -4.876 -9.446 -6.899 1.00 25.44 H new ATOM 0 HZ1 LYS A 46 -4.450 -9.001 -9.229 1.00 74.15 H new ATOM 0 HZ2 LYS A 46 -6.069 -8.648 -8.859 1.00 74.15 H new ATOM 0 HZ3 LYS A 46 -4.947 -7.388 -9.052 1.00 74.15 H new ATOM 727 N GLN A 47 -6.356 -2.435 -3.815 1.00 0.53 N ATOM 728 CA GLN A 47 -6.728 -1.038 -3.999 1.00 44.53 C ATOM 729 C GLN A 47 -5.928 -0.133 -3.067 1.00 23.52 C ATOM 730 O GLN A 47 -5.554 0.980 -3.436 1.00 53.54 O ATOM 731 CB GLN A 47 -8.227 -0.850 -3.746 1.00 13.43 C ATOM 732 CG GLN A 47 -9.078 -1.999 -4.258 1.00 71.24 C ATOM 733 CD GLN A 47 -10.284 -1.526 -5.047 1.00 20.13 C ATOM 734 OE1 GLN A 47 -10.232 -0.500 -5.725 1.00 31.13 O ATOM 735 NE2 GLN A 47 -11.379 -2.274 -4.961 1.00 11.24 N ATOM 0 H GLN A 47 -6.968 -2.956 -3.187 1.00 0.53 H new ATOM 0 HA GLN A 47 -6.501 -0.761 -5.029 1.00 44.53 H new ATOM 0 HB2 GLN A 47 -8.395 -0.734 -2.675 1.00 13.43 H new ATOM 0 HB3 GLN A 47 -8.554 0.074 -4.222 1.00 13.43 H new ATOM 0 HG2 GLN A 47 -8.467 -2.646 -4.888 1.00 71.24 H new ATOM 0 HG3 GLN A 47 -9.414 -2.601 -3.414 1.00 71.24 H new ATOM 0 HE21 GLN A 47 -11.377 -3.117 -4.387 1.00 11.24 H new ATOM 0 HE22 GLN A 47 -12.221 -2.005 -5.469 1.00 11.24 H new ATOM 744 N GLY A 48 -5.665 -0.620 -1.858 1.00 61.42 N ATOM 745 CA GLY A 48 -4.909 0.156 -0.893 1.00 41.35 C ATOM 746 C GLY A 48 -3.419 0.132 -1.170 1.00 54.24 C ATOM 747 O GLY A 48 -2.670 0.949 -0.633 1.00 32.32 O ATOM 0 H GLY A 48 -5.962 -1.539 -1.530 1.00 61.42 H new ATOM 0 HA2 GLY A 48 -5.261 1.187 -0.905 1.00 41.35 H new ATOM 0 HA3 GLY A 48 -5.096 -0.233 0.108 1.00 41.35 H new ATOM 751 N ILE A 49 -2.990 -0.806 -2.006 1.00 34.33 N ATOM 752 CA ILE A 49 -1.578 -0.932 -2.352 1.00 51.54 C ATOM 753 C ILE A 49 -1.152 0.158 -3.328 1.00 2.13 C ATOM 754 O ILE A 49 -0.099 0.772 -3.167 1.00 20.05 O ATOM 755 CB ILE A 49 -1.272 -2.310 -2.969 1.00 4.23 C ATOM 756 CG1 ILE A 49 -1.038 -3.346 -1.868 1.00 31.13 C ATOM 757 CG2 ILE A 49 -0.062 -2.221 -3.886 1.00 1.02 C ATOM 758 CD1 ILE A 49 -1.464 -4.745 -2.256 1.00 44.33 C ATOM 0 H ILE A 49 -3.598 -1.490 -2.457 1.00 34.33 H new ATOM 0 HA ILE A 49 -1.014 -0.825 -1.425 1.00 51.54 H new ATOM 0 HB ILE A 49 -2.131 -2.626 -3.561 1.00 4.23 H new ATOM 0 HG12 ILE A 49 0.021 -3.356 -1.608 1.00 31.13 H new ATOM 0 HG13 ILE A 49 -1.583 -3.044 -0.974 1.00 31.13 H new ATOM 0 HG21 ILE A 49 0.142 -3.202 -4.315 1.00 1.02 H new ATOM 0 HG22 ILE A 49 -0.264 -1.510 -4.687 1.00 1.02 H new ATOM 0 HG23 ILE A 49 0.804 -1.887 -3.314 1.00 1.02 H new ATOM 0 HD11 ILE A 49 -1.269 -5.427 -1.429 1.00 44.33 H new ATOM 0 HD12 ILE A 49 -2.529 -4.750 -2.488 1.00 44.33 H new ATOM 0 HD13 ILE A 49 -0.901 -5.067 -3.132 1.00 44.33 H new ATOM 770 N GLY A 50 -1.978 0.393 -4.342 1.00 50.12 N ATOM 771 CA GLY A 50 -1.670 1.411 -5.331 1.00 75.52 C ATOM 772 C GLY A 50 -1.703 2.811 -4.750 1.00 74.22 C ATOM 773 O GLY A 50 -0.896 3.663 -5.123 1.00 11.42 O ATOM 0 H GLY A 50 -2.856 -0.103 -4.497 1.00 50.12 H new ATOM 0 HA2 GLY A 50 -0.683 1.218 -5.751 1.00 75.52 H new ATOM 0 HA3 GLY A 50 -2.384 1.344 -6.152 1.00 75.52 H new ATOM 777 N HIS A 51 -2.638 3.049 -3.837 1.00 0.41 N ATOM 778 CA HIS A 51 -2.773 4.356 -3.205 1.00 41.24 C ATOM 779 C HIS A 51 -1.615 4.619 -2.245 1.00 45.42 C ATOM 780 O HIS A 51 -1.279 5.769 -1.962 1.00 54.42 O ATOM 781 CB HIS A 51 -4.103 4.451 -2.456 1.00 60.44 C ATOM 782 CG HIS A 51 -5.270 4.752 -3.343 1.00 64.52 C ATOM 783 ND1 HIS A 51 -5.423 5.953 -4.003 1.00 65.14 N ATOM 784 CD2 HIS A 51 -6.344 3.999 -3.682 1.00 11.40 C ATOM 785 CE1 HIS A 51 -6.542 5.927 -4.707 1.00 10.41 C ATOM 786 NE2 HIS A 51 -7.119 4.753 -4.529 1.00 54.40 N ATOM 0 H HIS A 51 -3.313 2.354 -3.518 1.00 0.41 H new ATOM 0 HA HIS A 51 -2.752 5.113 -3.989 1.00 41.24 H new ATOM 0 HB2 HIS A 51 -4.286 3.511 -1.936 1.00 60.44 H new ATOM 0 HB3 HIS A 51 -4.027 5.227 -1.694 1.00 60.44 H new ATOM 0 HD2 HIS A 51 -6.552 2.993 -3.348 1.00 11.40 H new ATOM 0 HE1 HIS A 51 -6.920 6.730 -5.323 1.00 10.41 H new ATOM 0 HE2 HIS A 51 -7.998 4.454 -4.952 1.00 54.40 H new ATOM 795 N LEU A 52 -1.012 3.545 -1.748 1.00 73.25 N ATOM 796 CA LEU A 52 0.107 3.658 -0.820 1.00 53.10 C ATOM 797 C LEU A 52 1.329 4.254 -1.510 1.00 3.31 C ATOM 798 O LEU A 52 1.889 5.253 -1.054 1.00 64.44 O ATOM 799 CB LEU A 52 0.454 2.286 -0.238 1.00 42.42 C ATOM 800 CG LEU A 52 -0.373 1.841 0.969 1.00 70.04 C ATOM 801 CD1 LEU A 52 -0.258 0.337 1.166 1.00 54.53 C ATOM 802 CD2 LEU A 52 0.070 2.582 2.222 1.00 74.04 C ATOM 0 H LEU A 52 -1.279 2.586 -1.972 1.00 73.25 H new ATOM 0 HA LEU A 52 -0.191 4.324 -0.010 1.00 53.10 H new ATOM 0 HB2 LEU A 52 0.342 1.540 -1.025 1.00 42.42 H new ATOM 0 HB3 LEU A 52 1.506 2.290 0.049 1.00 42.42 H new ATOM 0 HG LEU A 52 -1.419 2.084 0.780 1.00 70.04 H new ATOM 0 HD11 LEU A 52 -0.852 0.037 2.029 1.00 54.53 H new ATOM 0 HD12 LEU A 52 -0.625 -0.176 0.277 1.00 54.53 H new ATOM 0 HD13 LEU A 52 0.786 0.071 1.334 1.00 54.53 H new ATOM 0 HD21 LEU A 52 -0.529 2.253 3.071 1.00 74.04 H new ATOM 0 HD22 LEU A 52 1.122 2.371 2.417 1.00 74.04 H new ATOM 0 HD23 LEU A 52 -0.064 3.654 2.077 1.00 74.04 H new ATOM 814 N LEU A 53 1.738 3.638 -2.614 1.00 75.21 N ATOM 815 CA LEU A 53 2.893 4.108 -3.369 1.00 3.03 C ATOM 816 C LEU A 53 2.656 5.515 -3.907 1.00 5.12 C ATOM 817 O LEU A 53 3.580 6.326 -3.988 1.00 55.24 O ATOM 818 CB LEU A 53 3.195 3.152 -4.524 1.00 21.05 C ATOM 819 CG LEU A 53 3.591 1.728 -4.131 1.00 41.24 C ATOM 820 CD1 LEU A 53 3.532 0.805 -5.339 1.00 11.01 C ATOM 821 CD2 LEU A 53 4.979 1.711 -3.510 1.00 34.41 C ATOM 0 H LEU A 53 1.286 2.812 -3.006 1.00 75.21 H new ATOM 0 HA LEU A 53 3.749 4.136 -2.695 1.00 3.03 H new ATOM 0 HB2 LEU A 53 2.315 3.099 -5.165 1.00 21.05 H new ATOM 0 HB3 LEU A 53 4.000 3.580 -5.122 1.00 21.05 H new ATOM 0 HG LEU A 53 2.880 1.366 -3.388 1.00 41.24 H new ATOM 0 HD11 LEU A 53 3.817 -0.204 -5.040 1.00 11.01 H new ATOM 0 HD12 LEU A 53 2.518 0.792 -5.738 1.00 11.01 H new ATOM 0 HD13 LEU A 53 4.219 1.164 -6.105 1.00 11.01 H new ATOM 0 HD21 LEU A 53 5.243 0.689 -3.237 1.00 34.41 H new ATOM 0 HD22 LEU A 53 5.704 2.093 -4.229 1.00 34.41 H new ATOM 0 HD23 LEU A 53 4.986 2.338 -2.619 1.00 34.41 H new ATOM 833 N ARG A 54 1.411 5.800 -4.276 1.00 42.34 N ATOM 834 CA ARG A 54 1.050 7.109 -4.806 1.00 33.44 C ATOM 835 C ARG A 54 1.500 8.221 -3.861 1.00 34.41 C ATOM 836 O ARG A 54 1.817 9.328 -4.295 1.00 61.14 O ATOM 837 CB ARG A 54 -0.461 7.195 -5.028 1.00 12.50 C ATOM 838 CG ARG A 54 -0.962 8.610 -5.270 1.00 10.35 C ATOM 839 CD ARG A 54 -0.313 9.227 -6.500 1.00 53.11 C ATOM 840 NE ARG A 54 -1.149 10.263 -7.098 1.00 44.31 N ATOM 841 CZ ARG A 54 -0.879 10.846 -8.261 1.00 13.23 C ATOM 842 NH1 ARG A 54 0.200 10.495 -8.946 1.00 13.35 N ATOM 843 NH2 ARG A 54 -1.689 11.781 -8.739 1.00 43.10 N ATOM 0 H ARG A 54 0.635 5.141 -4.217 1.00 42.34 H new ATOM 0 HA ARG A 54 1.558 7.239 -5.761 1.00 33.44 H new ATOM 0 HB2 ARG A 54 -0.730 6.572 -5.881 1.00 12.50 H new ATOM 0 HB3 ARG A 54 -0.972 6.782 -4.158 1.00 12.50 H new ATOM 0 HG2 ARG A 54 -2.045 8.598 -5.396 1.00 10.35 H new ATOM 0 HG3 ARG A 54 -0.750 9.227 -4.397 1.00 10.35 H new ATOM 0 HD2 ARG A 54 0.652 9.653 -6.225 1.00 53.11 H new ATOM 0 HD3 ARG A 54 -0.119 8.448 -7.237 1.00 53.11 H new ATOM 0 HE ARG A 54 -1.987 10.556 -6.595 1.00 44.31 H new ATOM 0 HH11 ARG A 54 0.825 9.776 -8.581 1.00 13.35 H new ATOM 0 HH12 ARG A 54 0.406 10.944 -9.839 1.00 13.35 H new ATOM 0 HH21 ARG A 54 -2.520 12.053 -8.214 1.00 43.10 H new ATOM 0 HH22 ARG A 54 -1.481 12.228 -9.632 1.00 43.10 H new ATOM 857 N GLY A 55 1.527 7.917 -2.567 1.00 20.11 N ATOM 858 CA GLY A 55 1.939 8.901 -1.582 1.00 61.43 C ATOM 859 C GLY A 55 3.402 8.771 -1.212 1.00 31.24 C ATOM 860 O GLY A 55 4.077 9.771 -0.962 1.00 21.40 O ATOM 0 H GLY A 55 1.271 7.007 -2.183 1.00 20.11 H new ATOM 0 HA2 GLY A 55 1.753 9.902 -1.973 1.00 61.43 H new ATOM 0 HA3 GLY A 55 1.329 8.791 -0.685 1.00 61.43 H new ATOM 864 N ILE A 56 3.895 7.538 -1.174 1.00 74.23 N ATOM 865 CA ILE A 56 5.288 7.282 -0.829 1.00 60.23 C ATOM 866 C ILE A 56 6.226 7.800 -1.913 1.00 63.32 C ATOM 867 O ILE A 56 7.371 8.162 -1.638 1.00 74.21 O ATOM 868 CB ILE A 56 5.548 5.779 -0.616 1.00 32.22 C ATOM 869 CG1 ILE A 56 4.657 5.237 0.503 1.00 62.53 C ATOM 870 CG2 ILE A 56 7.015 5.536 -0.296 1.00 34.54 C ATOM 871 CD1 ILE A 56 4.589 3.727 0.544 1.00 1.21 C ATOM 0 H ILE A 56 3.350 6.700 -1.378 1.00 74.23 H new ATOM 0 HA ILE A 56 5.485 7.812 0.103 1.00 60.23 H new ATOM 0 HB ILE A 56 5.304 5.250 -1.537 1.00 32.22 H new ATOM 0 HG12 ILE A 56 5.028 5.602 1.461 1.00 62.53 H new ATOM 0 HG13 ILE A 56 3.650 5.635 0.379 1.00 62.53 H new ATOM 0 HG21 ILE A 56 7.183 4.469 -0.148 1.00 34.54 H new ATOM 0 HG22 ILE A 56 7.631 5.889 -1.123 1.00 34.54 H new ATOM 0 HG23 ILE A 56 7.283 6.075 0.613 1.00 34.54 H new ATOM 0 HD11 ILE A 56 3.940 3.414 1.362 1.00 1.21 H new ATOM 0 HD12 ILE A 56 4.189 3.355 -0.399 1.00 1.21 H new ATOM 0 HD13 ILE A 56 5.589 3.322 0.699 1.00 1.21 H new ATOM 883 N SER A 57 5.732 7.837 -3.148 1.00 10.02 N ATOM 884 CA SER A 57 6.528 8.309 -4.275 1.00 4.43 C ATOM 885 C SER A 57 6.473 9.831 -4.378 1.00 21.15 C ATOM 886 O SER A 57 6.286 10.384 -5.462 1.00 4.45 O ATOM 887 CB SER A 57 6.029 7.681 -5.578 1.00 41.43 C ATOM 888 OG SER A 57 6.725 6.481 -5.865 1.00 51.51 O ATOM 0 H SER A 57 4.785 7.546 -3.392 1.00 10.02 H new ATOM 0 HA SER A 57 7.563 8.009 -4.108 1.00 4.43 H new ATOM 0 HB2 SER A 57 4.961 7.476 -5.501 1.00 41.43 H new ATOM 0 HB3 SER A 57 6.160 8.386 -6.399 1.00 41.43 H new ATOM 0 HG SER A 57 6.386 6.099 -6.701 1.00 51.51 H new ATOM 894 N ILE A 58 6.638 10.500 -3.242 1.00 31.22 N ATOM 895 CA ILE A 58 6.610 11.956 -3.204 1.00 12.30 C ATOM 896 C ILE A 58 7.908 12.518 -2.631 1.00 71.45 C ATOM 897 O ILE A 58 8.416 12.030 -1.622 1.00 54.45 O ATOM 898 CB ILE A 58 5.427 12.475 -2.364 1.00 20.31 C ATOM 899 CG1 ILE A 58 4.131 11.779 -2.785 1.00 21.04 C ATOM 900 CG2 ILE A 58 5.295 13.983 -2.508 1.00 12.34 C ATOM 901 CD1 ILE A 58 3.377 12.513 -3.872 1.00 12.15 C ATOM 0 H ILE A 58 6.792 10.057 -2.336 1.00 31.22 H new ATOM 0 HA ILE A 58 6.493 12.295 -4.233 1.00 12.30 H new ATOM 0 HB ILE A 58 5.617 12.246 -1.316 1.00 20.31 H new ATOM 0 HG12 ILE A 58 4.365 10.773 -3.132 1.00 21.04 H new ATOM 0 HG13 ILE A 58 3.485 11.674 -1.913 1.00 21.04 H new ATOM 0 HG21 ILE A 58 4.455 14.334 -1.909 1.00 12.34 H new ATOM 0 HG22 ILE A 58 6.211 14.463 -2.164 1.00 12.34 H new ATOM 0 HG23 ILE A 58 5.124 14.235 -3.555 1.00 12.34 H new ATOM 0 HD11 ILE A 58 2.469 11.963 -4.120 1.00 12.15 H new ATOM 0 HD12 ILE A 58 3.112 13.510 -3.521 1.00 12.15 H new ATOM 0 HD13 ILE A 58 4.005 12.595 -4.759 1.00 12.15 H new ATOM 913 N SER A 59 8.439 13.546 -3.284 1.00 2.24 N ATOM 914 CA SER A 59 9.679 14.174 -2.844 1.00 34.23 C ATOM 915 C SER A 59 9.460 14.966 -1.559 1.00 13.03 C ATOM 916 O SER A 59 9.267 16.182 -1.590 1.00 24.30 O ATOM 917 CB SER A 59 10.228 15.093 -3.936 1.00 1.22 C ATOM 918 OG SER A 59 9.594 14.843 -5.178 1.00 3.44 O ATOM 0 H SER A 59 8.030 13.962 -4.120 1.00 2.24 H new ATOM 0 HA SER A 59 10.405 13.386 -2.646 1.00 34.23 H new ATOM 0 HB2 SER A 59 10.077 16.134 -3.650 1.00 1.22 H new ATOM 0 HB3 SER A 59 11.303 14.943 -4.036 1.00 1.22 H new ATOM 0 HG SER A 59 9.961 15.444 -5.859 1.00 3.44 H new ATOM 924 N SER A 60 9.491 14.269 -0.427 1.00 45.34 N ATOM 925 CA SER A 60 9.292 14.906 0.868 1.00 13.44 C ATOM 926 C SER A 60 10.618 15.389 1.448 1.00 31.51 C ATOM 927 O SER A 60 10.725 15.663 2.642 1.00 34.25 O ATOM 928 CB SER A 60 8.624 13.933 1.841 1.00 75.14 C ATOM 929 OG SER A 60 7.324 13.578 1.397 1.00 60.30 O ATOM 0 H SER A 60 9.652 13.263 -0.382 1.00 45.34 H new ATOM 0 HA SER A 60 8.643 15.769 0.723 1.00 13.44 H new ATOM 0 HB2 SER A 60 9.235 13.036 1.940 1.00 75.14 H new ATOM 0 HB3 SER A 60 8.562 14.388 2.830 1.00 75.14 H new ATOM 0 HG SER A 60 6.919 12.954 2.035 1.00 60.30 H new ATOM 935 N LYS A 61 11.628 15.490 0.589 1.00 74.03 N ATOM 936 CA LYS A 61 12.949 15.940 1.012 1.00 71.20 C ATOM 937 C LYS A 61 13.508 16.975 0.040 1.00 62.42 C ATOM 938 O LYS A 61 13.624 16.715 -1.158 1.00 53.42 O ATOM 939 CB LYS A 61 13.908 14.752 1.112 1.00 74.30 C ATOM 940 CG LYS A 61 14.827 14.811 2.321 1.00 64.03 C ATOM 941 CD LYS A 61 14.400 13.826 3.396 1.00 2.32 C ATOM 942 CE LYS A 61 13.000 14.132 3.908 1.00 71.30 C ATOM 943 NZ LYS A 61 12.007 13.126 3.443 1.00 60.11 N ATOM 0 H LYS A 61 11.556 15.266 -0.404 1.00 74.03 H new ATOM 0 HA LYS A 61 12.850 16.403 1.994 1.00 71.20 H new ATOM 0 HB2 LYS A 61 13.328 13.830 1.152 1.00 74.30 H new ATOM 0 HB3 LYS A 61 14.514 14.708 0.207 1.00 74.30 H new ATOM 0 HG2 LYS A 61 15.850 14.593 2.013 1.00 64.03 H new ATOM 0 HG3 LYS A 61 14.826 15.821 2.731 1.00 64.03 H new ATOM 0 HD2 LYS A 61 14.429 12.813 2.995 1.00 2.32 H new ATOM 0 HD3 LYS A 61 15.107 13.861 4.225 1.00 2.32 H new ATOM 0 HE2 LYS A 61 13.009 14.156 4.998 1.00 71.30 H new ATOM 0 HE3 LYS A 61 12.698 15.123 3.570 1.00 71.30 H new ATOM 0 HZ1 LYS A 61 11.099 13.597 3.252 1.00 60.11 H new ATOM 0 HZ2 LYS A 61 12.352 12.674 2.572 1.00 60.11 H new ATOM 0 HZ3 LYS A 61 11.874 12.403 4.179 1.00 60.11 H new ATOM 957 N GLU A 62 13.851 18.147 0.563 1.00 12.53 N ATOM 958 CA GLU A 62 14.398 19.221 -0.259 1.00 51.23 C ATOM 959 C GLU A 62 14.973 20.333 0.612 1.00 3.34 C ATOM 960 O GLU A 62 14.951 20.251 1.840 1.00 43.02 O ATOM 961 CB GLU A 62 13.317 19.787 -1.182 1.00 40.44 C ATOM 962 CG GLU A 62 13.847 20.246 -2.529 1.00 64.34 C ATOM 963 CD GLU A 62 12.799 20.171 -3.624 1.00 24.14 C ATOM 964 OE1 GLU A 62 12.273 19.065 -3.865 1.00 24.52 O ATOM 965 OE2 GLU A 62 12.507 21.218 -4.237 1.00 62.32 O ATOM 0 H GLU A 62 13.760 18.378 1.552 1.00 12.53 H new ATOM 0 HA GLU A 62 15.203 18.806 -0.866 1.00 51.23 H new ATOM 0 HB2 GLU A 62 12.553 19.026 -1.342 1.00 40.44 H new ATOM 0 HB3 GLU A 62 12.831 20.628 -0.686 1.00 40.44 H new ATOM 0 HG2 GLU A 62 14.206 21.272 -2.444 1.00 64.34 H new ATOM 0 HG3 GLU A 62 14.703 19.631 -2.807 1.00 64.34 H new ATOM 973 N SER A 63 15.490 21.375 -0.033 1.00 60.44 N ATOM 974 CA SER A 63 16.075 22.504 0.680 1.00 33.12 C ATOM 975 C SER A 63 15.043 23.169 1.583 1.00 51.34 C ATOM 976 O SER A 63 15.371 23.659 2.665 1.00 24.34 O ATOM 977 CB SER A 63 16.637 23.524 -0.311 1.00 11.24 C ATOM 978 OG SER A 63 17.571 22.922 -1.190 1.00 51.50 O ATOM 0 H SER A 63 15.515 21.460 -1.049 1.00 60.44 H new ATOM 0 HA SER A 63 16.887 22.128 1.302 1.00 33.12 H new ATOM 0 HB2 SER A 63 15.822 23.963 -0.887 1.00 11.24 H new ATOM 0 HB3 SER A 63 17.117 24.337 0.233 1.00 11.24 H new ATOM 0 HG SER A 63 17.914 23.595 -1.814 1.00 51.50 H new ATOM 984 N GLU A 64 13.792 23.184 1.133 1.00 61.44 N ATOM 985 CA GLU A 64 12.710 23.791 1.900 1.00 42.31 C ATOM 986 C GLU A 64 12.226 22.847 2.998 1.00 4.50 C ATOM 987 O GLU A 64 11.079 22.400 2.985 1.00 4.41 O ATOM 988 CB GLU A 64 11.546 24.159 0.978 1.00 45.21 C ATOM 989 CG GLU A 64 10.714 25.326 1.485 1.00 1.21 C ATOM 990 CD GLU A 64 9.546 25.649 0.574 1.00 64.45 C ATOM 991 OE1 GLU A 64 9.782 26.205 -0.519 1.00 10.14 O ATOM 992 OE2 GLU A 64 8.396 25.345 0.954 1.00 3.31 O ATOM 0 H GLU A 64 13.503 22.783 0.241 1.00 61.44 H new ATOM 0 HA GLU A 64 13.094 24.698 2.368 1.00 42.31 H new ATOM 0 HB2 GLU A 64 11.939 24.405 -0.009 1.00 45.21 H new ATOM 0 HB3 GLU A 64 10.901 23.289 0.856 1.00 45.21 H new ATOM 0 HG2 GLU A 64 10.339 25.094 2.482 1.00 1.21 H new ATOM 0 HG3 GLU A 64 11.350 26.206 1.580 1.00 1.21 H new ATOM 1000 N HIS A 65 13.109 22.549 3.945 1.00 31.41 N ATOM 1001 CA HIS A 65 12.772 21.660 5.051 1.00 53.20 C ATOM 1002 C HIS A 65 13.223 22.253 6.382 1.00 74.35 C ATOM 1003 O HIS A 65 14.411 22.498 6.593 1.00 3.41 O ATOM 1004 CB HIS A 65 13.417 20.289 4.844 1.00 71.12 C ATOM 1005 CG HIS A 65 12.426 19.174 4.717 1.00 71.45 C ATOM 1006 ND1 HIS A 65 12.640 17.913 5.233 1.00 54.21 N ATOM 1007 CD2 HIS A 65 11.208 19.134 4.128 1.00 11.21 C ATOM 1008 CE1 HIS A 65 11.598 17.147 4.966 1.00 34.13 C ATOM 1009 NE2 HIS A 65 10.713 17.865 4.297 1.00 31.45 N ATOM 0 H HIS A 65 14.063 22.910 3.969 1.00 31.41 H new ATOM 0 HA HIS A 65 11.688 21.544 5.075 1.00 53.20 H new ATOM 0 HB2 HIS A 65 14.035 20.319 3.946 1.00 71.12 H new ATOM 0 HB3 HIS A 65 14.082 20.079 5.682 1.00 71.12 H new ATOM 0 HD2 HIS A 65 10.716 19.950 3.619 1.00 11.21 H new ATOM 0 HE1 HIS A 65 11.488 16.110 5.247 1.00 34.13 H new ATOM 0 HE2 HIS A 65 9.810 17.531 3.961 1.00 31.45 H new ATOM 1018 N THR A 66 12.268 22.479 7.278 1.00 44.54 N ATOM 1019 CA THR A 66 12.566 23.045 8.588 1.00 61.22 C ATOM 1020 C THR A 66 11.287 23.360 9.354 1.00 4.15 C ATOM 1021 O THR A 66 10.241 23.613 8.760 1.00 2.42 O ATOM 1022 CB THR A 66 13.409 24.329 8.466 1.00 15.30 C ATOM 1023 OG1 THR A 66 13.307 25.097 9.670 1.00 52.45 O ATOM 1024 CG2 THR A 66 12.949 25.167 7.283 1.00 2.31 C ATOM 0 H THR A 66 11.280 22.279 7.120 1.00 44.54 H new ATOM 0 HA THR A 66 13.138 22.295 9.135 1.00 61.22 H new ATOM 0 HB THR A 66 14.448 24.042 8.305 1.00 15.30 H new ATOM 0 HG1 THR A 66 13.847 25.911 9.586 1.00 52.45 H new ATOM 0 HG21 THR A 66 13.558 26.068 7.217 1.00 2.31 H new ATOM 0 HG22 THR A 66 13.055 24.589 6.365 1.00 2.31 H new ATOM 0 HG23 THR A 66 11.904 25.445 7.419 1.00 2.31 H new ATOM 1032 N GLY A 67 11.379 23.344 10.681 1.00 12.31 N ATOM 1033 CA GLY A 67 10.221 23.631 11.507 1.00 13.45 C ATOM 1034 C GLY A 67 9.073 22.677 11.249 1.00 50.23 C ATOM 1035 O GLY A 67 9.212 21.683 10.536 1.00 21.55 O ATOM 0 H GLY A 67 12.234 23.138 11.198 1.00 12.31 H new ATOM 0 HA2 GLY A 67 10.506 23.576 12.558 1.00 13.45 H new ATOM 0 HA3 GLY A 67 9.889 24.652 11.320 1.00 13.45 H new ATOM 1039 N PRO A 68 7.905 22.976 11.838 1.00 34.31 N ATOM 1040 CA PRO A 68 6.705 22.148 11.683 1.00 61.20 C ATOM 1041 C PRO A 68 6.126 22.225 10.274 1.00 21.33 C ATOM 1042 O PRO A 68 6.747 22.779 9.366 1.00 72.12 O ATOM 1043 CB PRO A 68 5.727 22.747 12.696 1.00 14.11 C ATOM 1044 CG PRO A 68 6.173 24.159 12.862 1.00 44.22 C ATOM 1045 CD PRO A 68 7.666 24.145 12.701 1.00 21.41 C ATOM 0 HA PRO A 68 6.915 21.091 11.847 1.00 61.20 H new ATOM 0 HB2 PRO A 68 4.700 22.696 12.333 1.00 14.11 H new ATOM 0 HB3 PRO A 68 5.758 22.208 13.643 1.00 14.11 H new ATOM 0 HG2 PRO A 68 5.707 24.805 12.118 1.00 44.22 H new ATOM 0 HG3 PRO A 68 5.890 24.545 13.841 1.00 44.22 H new ATOM 0 HD2 PRO A 68 8.029 25.064 12.242 1.00 21.41 H new ATOM 0 HD3 PRO A 68 8.173 24.046 13.661 1.00 21.41 H new ATOM 1053 N GLY A 69 4.933 21.667 10.098 1.00 43.53 N ATOM 1054 CA GLY A 69 4.289 21.685 8.796 1.00 3.43 C ATOM 1055 C GLY A 69 4.584 20.437 7.988 1.00 12.40 C ATOM 1056 O GLY A 69 3.666 19.764 7.518 1.00 44.43 O ATOM 0 H GLY A 69 4.400 21.202 10.833 1.00 43.53 H new ATOM 0 HA2 GLY A 69 3.211 21.783 8.928 1.00 3.43 H new ATOM 0 HA3 GLY A 69 4.623 22.561 8.241 1.00 3.43 H new ATOM 1060 N TRP A 70 5.865 20.129 7.825 1.00 4.31 N ATOM 1061 CA TRP A 70 6.277 18.955 7.065 1.00 1.31 C ATOM 1062 C TRP A 70 6.400 17.736 7.971 1.00 35.02 C ATOM 1063 O TRP A 70 6.261 16.599 7.520 1.00 14.25 O ATOM 1064 CB TRP A 70 7.609 19.218 6.361 1.00 74.23 C ATOM 1065 CG TRP A 70 7.465 19.464 4.889 1.00 41.20 C ATOM 1066 CD1 TRP A 70 7.616 20.656 4.239 1.00 71.31 C ATOM 1067 CD2 TRP A 70 7.140 18.495 3.887 1.00 44.23 C ATOM 1068 NE1 TRP A 70 7.405 20.486 2.892 1.00 74.23 N ATOM 1069 CE2 TRP A 70 7.111 19.170 2.651 1.00 63.41 C ATOM 1070 CE3 TRP A 70 6.872 17.124 3.913 1.00 31.22 C ATOM 1071 CZ2 TRP A 70 6.824 18.518 1.454 1.00 32.30 C ATOM 1072 CZ3 TRP A 70 6.587 16.479 2.724 1.00 53.23 C ATOM 1073 CH2 TRP A 70 6.565 17.175 1.508 1.00 15.43 C ATOM 0 H TRP A 70 6.636 20.675 8.209 1.00 4.31 H new ATOM 0 HA TRP A 70 5.512 18.752 6.315 1.00 1.31 H new ATOM 0 HB2 TRP A 70 8.091 20.081 6.821 1.00 74.23 H new ATOM 0 HB3 TRP A 70 8.269 18.364 6.517 1.00 74.23 H new ATOM 0 HD1 TRP A 70 7.865 21.594 4.714 1.00 71.31 H new ATOM 0 HE1 TRP A 70 7.459 21.220 2.186 1.00 74.23 H new ATOM 0 HE3 TRP A 70 6.887 16.578 4.845 1.00 31.22 H new ATOM 0 HZ2 TRP A 70 6.806 19.053 0.516 1.00 32.30 H new ATOM 0 HZ3 TRP A 70 6.378 15.420 2.732 1.00 53.23 H new ATOM 0 HH2 TRP A 70 6.339 16.642 0.596 1.00 15.43 H new ATOM 1084 N GLU A 71 6.660 17.979 9.252 1.00 13.45 N ATOM 1085 CA GLU A 71 6.801 16.900 10.222 1.00 21.24 C ATOM 1086 C GLU A 71 5.614 15.944 10.149 1.00 71.02 C ATOM 1087 O GLU A 71 5.783 14.725 10.162 1.00 42.35 O ATOM 1088 CB GLU A 71 6.928 17.467 11.637 1.00 4.53 C ATOM 1089 CG GLU A 71 6.320 16.577 12.707 1.00 44.33 C ATOM 1090 CD GLU A 71 6.891 16.849 14.086 1.00 65.23 C ATOM 1091 OE1 GLU A 71 8.119 16.709 14.256 1.00 2.05 O ATOM 1092 OE2 GLU A 71 6.108 17.201 14.992 1.00 14.23 O ATOM 0 H GLU A 71 6.777 18.914 9.642 1.00 13.45 H new ATOM 0 HA GLU A 71 7.707 16.345 9.979 1.00 21.24 H new ATOM 0 HB2 GLU A 71 7.983 17.624 11.863 1.00 4.53 H new ATOM 0 HB3 GLU A 71 6.446 18.444 11.672 1.00 4.53 H new ATOM 0 HG2 GLU A 71 5.241 16.727 12.729 1.00 44.33 H new ATOM 0 HG3 GLU A 71 6.492 15.533 12.446 1.00 44.33 H new ATOM 1100 N SER A 72 4.412 16.508 10.074 1.00 33.23 N ATOM 1101 CA SER A 72 3.195 15.707 10.005 1.00 1.24 C ATOM 1102 C SER A 72 3.135 14.922 8.698 1.00 14.35 C ATOM 1103 O SER A 72 2.962 13.704 8.702 1.00 25.33 O ATOM 1104 CB SER A 72 1.963 16.604 10.131 1.00 52.42 C ATOM 1105 OG SER A 72 2.119 17.541 11.181 1.00 3.42 O ATOM 0 H SER A 72 4.255 17.516 10.059 1.00 33.23 H new ATOM 0 HA SER A 72 3.207 14.999 10.834 1.00 1.24 H new ATOM 0 HB2 SER A 72 1.795 17.131 9.192 1.00 52.42 H new ATOM 0 HB3 SER A 72 1.081 15.991 10.315 1.00 52.42 H new ATOM 0 HG SER A 72 1.318 18.103 11.239 1.00 3.42 H new ATOM 1111 N ALA A 73 3.281 15.630 7.583 1.00 25.32 N ATOM 1112 CA ALA A 73 3.246 15.001 6.269 1.00 40.34 C ATOM 1113 C ALA A 73 4.298 13.902 6.158 1.00 1.11 C ATOM 1114 O ALA A 73 4.080 12.887 5.496 1.00 24.24 O ATOM 1115 CB ALA A 73 3.451 16.043 5.179 1.00 23.30 C ATOM 0 H ALA A 73 3.425 16.640 7.564 1.00 25.32 H new ATOM 0 HA ALA A 73 2.265 14.543 6.139 1.00 40.34 H new ATOM 0 HB1 ALA A 73 3.423 15.559 4.203 1.00 23.30 H new ATOM 0 HB2 ALA A 73 2.660 16.790 5.237 1.00 23.30 H new ATOM 0 HB3 ALA A 73 4.418 16.527 5.316 1.00 23.30 H new ATOM 1121 N ARG A 74 5.437 14.112 6.808 1.00 10.34 N ATOM 1122 CA ARG A 74 6.523 13.140 6.780 1.00 15.42 C ATOM 1123 C ARG A 74 6.201 11.939 7.665 1.00 13.54 C ATOM 1124 O ARG A 74 6.655 10.826 7.405 1.00 53.51 O ATOM 1125 CB ARG A 74 7.830 13.791 7.241 1.00 63.32 C ATOM 1126 CG ARG A 74 8.350 13.244 8.560 1.00 63.03 C ATOM 1127 CD ARG A 74 9.728 13.799 8.888 1.00 4.21 C ATOM 1128 NE ARG A 74 10.421 12.987 9.884 1.00 31.35 N ATOM 1129 CZ ARG A 74 11.544 13.364 10.485 1.00 53.20 C ATOM 1130 NH1 ARG A 74 12.097 14.533 10.194 1.00 31.41 N ATOM 1131 NH2 ARG A 74 12.117 12.570 11.382 1.00 63.12 N ATOM 0 H ARG A 74 5.632 14.947 7.361 1.00 10.34 H new ATOM 0 HA ARG A 74 6.640 12.792 5.754 1.00 15.42 H new ATOM 0 HB2 ARG A 74 8.589 13.646 6.472 1.00 63.32 H new ATOM 0 HB3 ARG A 74 7.676 14.866 7.338 1.00 63.32 H new ATOM 0 HG2 ARG A 74 7.654 13.498 9.360 1.00 63.03 H new ATOM 0 HG3 ARG A 74 8.397 12.156 8.511 1.00 63.03 H new ATOM 0 HD2 ARG A 74 10.326 13.846 7.978 1.00 4.21 H new ATOM 0 HD3 ARG A 74 9.629 14.820 9.257 1.00 4.21 H new ATOM 0 HE ARG A 74 10.021 12.082 10.132 1.00 31.35 H new ATOM 0 HH11 ARG A 74 11.660 15.147 9.506 1.00 31.41 H new ATOM 0 HH12 ARG A 74 12.959 14.819 10.658 1.00 31.41 H new ATOM 0 HH21 ARG A 74 11.695 11.670 11.610 1.00 63.12 H new ATOM 0 HH22 ARG A 74 12.979 12.860 11.843 1.00 63.12 H new ATOM 1145 N GLN A 75 5.416 12.176 8.712 1.00 41.14 N ATOM 1146 CA GLN A 75 5.034 11.114 9.634 1.00 74.03 C ATOM 1147 C GLN A 75 4.086 10.125 8.965 1.00 51.22 C ATOM 1148 O GLN A 75 4.370 8.930 8.893 1.00 74.35 O ATOM 1149 CB GLN A 75 4.375 11.705 10.882 1.00 31.14 C ATOM 1150 CG GLN A 75 5.370 12.237 11.901 1.00 13.24 C ATOM 1151 CD GLN A 75 5.115 11.706 13.298 1.00 74.41 C ATOM 1152 OE1 GLN A 75 5.364 10.534 13.584 1.00 12.52 O ATOM 1153 NE2 GLN A 75 4.615 12.566 14.177 1.00 23.10 N ATOM 0 H GLN A 75 5.033 13.093 8.942 1.00 41.14 H new ATOM 0 HA GLN A 75 5.938 10.580 9.927 1.00 74.03 H new ATOM 0 HB2 GLN A 75 3.707 12.513 10.582 1.00 31.14 H new ATOM 0 HB3 GLN A 75 3.758 10.940 11.354 1.00 31.14 H new ATOM 0 HG2 GLN A 75 6.380 11.967 11.592 1.00 13.24 H new ATOM 0 HG3 GLN A 75 5.322 13.326 11.916 1.00 13.24 H new ATOM 0 HE21 GLN A 75 4.424 13.528 13.897 1.00 23.10 H new ATOM 0 HE22 GLN A 75 4.422 12.265 15.132 1.00 23.10 H new ATOM 1162 N MET A 76 2.959 10.632 8.477 1.00 23.13 N ATOM 1163 CA MET A 76 1.968 9.792 7.812 1.00 4.05 C ATOM 1164 C MET A 76 2.639 8.836 6.831 1.00 21.20 C ATOM 1165 O MET A 76 2.318 7.648 6.793 1.00 21.11 O ATOM 1166 CB MET A 76 0.945 10.659 7.078 1.00 71.40 C ATOM 1167 CG MET A 76 0.070 11.486 8.007 1.00 74.43 C ATOM 1168 SD MET A 76 -0.008 13.221 7.526 1.00 43.44 S ATOM 1169 CE MET A 76 -1.212 13.151 6.202 1.00 2.53 C ATOM 0 H MET A 76 2.709 11.619 8.529 1.00 23.13 H new ATOM 0 HA MET A 76 1.455 9.204 8.573 1.00 4.05 H new ATOM 0 HB2 MET A 76 1.470 11.328 6.396 1.00 71.40 H new ATOM 0 HB3 MET A 76 0.309 10.018 6.468 1.00 71.40 H new ATOM 0 HG2 MET A 76 -0.937 11.070 8.017 1.00 74.43 H new ATOM 0 HG3 MET A 76 0.455 11.412 9.024 1.00 74.43 H new ATOM 0 HE1 MET A 76 -1.047 13.981 5.516 1.00 2.53 H new ATOM 0 HE2 MET A 76 -1.107 12.209 5.664 1.00 2.53 H new ATOM 0 HE3 MET A 76 -2.216 13.220 6.620 1.00 2.53 H new ATOM 1179 N GLN A 77 3.570 9.360 6.040 1.00 51.34 N ATOM 1180 CA GLN A 77 4.283 8.551 5.058 1.00 11.40 C ATOM 1181 C GLN A 77 4.943 7.347 5.723 1.00 24.44 C ATOM 1182 O GLN A 77 4.715 6.205 5.324 1.00 10.33 O ATOM 1183 CB GLN A 77 5.337 9.394 4.340 1.00 15.42 C ATOM 1184 CG GLN A 77 5.183 9.403 2.829 1.00 22.33 C ATOM 1185 CD GLN A 77 6.442 9.857 2.116 1.00 34.53 C ATOM 1186 OE1 GLN A 77 7.524 9.886 2.703 1.00 35.42 O ATOM 1187 NE2 GLN A 77 6.308 10.211 0.844 1.00 14.14 N ATOM 0 H GLN A 77 3.848 10.341 6.060 1.00 51.34 H new ATOM 0 HA GLN A 77 3.560 8.189 4.327 1.00 11.40 H new ATOM 0 HB2 GLN A 77 5.283 10.418 4.708 1.00 15.42 H new ATOM 0 HB3 GLN A 77 6.327 9.016 4.594 1.00 15.42 H new ATOM 0 HG2 GLN A 77 4.918 8.402 2.489 1.00 22.33 H new ATOM 0 HG3 GLN A 77 4.358 10.061 2.556 1.00 22.33 H new ATOM 0 HE21 GLN A 77 5.392 10.171 0.397 1.00 14.14 H new ATOM 0 HE22 GLN A 77 7.121 10.523 0.313 1.00 14.14 H new ATOM 1196 N GLN A 78 5.762 7.611 6.736 1.00 23.11 N ATOM 1197 CA GLN A 78 6.457 6.549 7.453 1.00 54.43 C ATOM 1198 C GLN A 78 5.497 5.419 7.815 1.00 24.41 C ATOM 1199 O GLN A 78 5.827 4.242 7.671 1.00 74.14 O ATOM 1200 CB GLN A 78 7.110 7.103 8.721 1.00 11.41 C ATOM 1201 CG GLN A 78 8.197 6.204 9.289 1.00 65.05 C ATOM 1202 CD GLN A 78 8.434 6.438 10.766 1.00 0.50 C ATOM 1203 OE1 GLN A 78 7.955 5.681 11.612 1.00 60.30 O ATOM 1204 NE2 GLN A 78 9.178 7.490 11.088 1.00 3.33 N ATOM 0 H GLN A 78 5.960 8.551 7.078 1.00 23.11 H new ATOM 0 HA GLN A 78 7.231 6.149 6.798 1.00 54.43 H new ATOM 0 HB2 GLN A 78 7.537 8.081 8.502 1.00 11.41 H new ATOM 0 HB3 GLN A 78 6.342 7.253 9.479 1.00 11.41 H new ATOM 0 HG2 GLN A 78 7.921 5.162 9.130 1.00 65.05 H new ATOM 0 HG3 GLN A 78 9.126 6.375 8.744 1.00 65.05 H new ATOM 0 HE21 GLN A 78 9.555 8.091 10.355 1.00 3.33 H new ATOM 0 HE22 GLN A 78 9.372 7.697 12.068 1.00 3.33 H new ATOM 1213 N LYS A 79 4.309 5.785 8.283 1.00 1.10 N ATOM 1214 CA LYS A 79 3.301 4.803 8.664 1.00 63.55 C ATOM 1215 C LYS A 79 2.909 3.935 7.472 1.00 14.12 C ATOM 1216 O LYS A 79 2.929 2.708 7.553 1.00 32.44 O ATOM 1217 CB LYS A 79 2.063 5.506 9.225 1.00 74.33 C ATOM 1218 CG LYS A 79 1.455 4.800 10.426 1.00 30.45 C ATOM 1219 CD LYS A 79 1.460 5.692 11.657 1.00 52.53 C ATOM 1220 CE LYS A 79 1.399 4.874 12.938 1.00 33.12 C ATOM 1221 NZ LYS A 79 0.705 5.607 14.032 1.00 35.40 N ATOM 0 H LYS A 79 4.020 6.755 8.408 1.00 1.10 H new ATOM 0 HA LYS A 79 3.728 4.160 9.434 1.00 63.55 H new ATOM 0 HB2 LYS A 79 2.331 6.524 9.509 1.00 74.33 H new ATOM 0 HB3 LYS A 79 1.311 5.582 8.439 1.00 74.33 H new ATOM 0 HG2 LYS A 79 0.432 4.502 10.195 1.00 30.45 H new ATOM 0 HG3 LYS A 79 2.013 3.887 10.634 1.00 30.45 H new ATOM 0 HD2 LYS A 79 2.360 6.306 11.659 1.00 52.53 H new ATOM 0 HD3 LYS A 79 0.610 6.373 11.618 1.00 52.53 H new ATOM 0 HE2 LYS A 79 0.881 3.935 12.745 1.00 33.12 H new ATOM 0 HE3 LYS A 79 2.410 4.621 13.255 1.00 33.12 H new ATOM 0 HZ1 LYS A 79 0.684 5.016 14.887 1.00 35.40 H new ATOM 0 HZ2 LYS A 79 1.214 6.491 14.234 1.00 35.40 H new ATOM 0 HZ3 LYS A 79 -0.269 5.827 13.740 1.00 35.40 H new ATOM 1235 N MET A 80 2.555 4.582 6.366 1.00 64.45 N ATOM 1236 CA MET A 80 2.161 3.868 5.157 1.00 32.54 C ATOM 1237 C MET A 80 3.214 2.834 4.770 1.00 64.44 C ATOM 1238 O MET A 80 2.913 1.648 4.629 1.00 71.14 O ATOM 1239 CB MET A 80 1.946 4.851 4.005 1.00 34.44 C ATOM 1240 CG MET A 80 0.531 5.401 3.930 1.00 31.03 C ATOM 1241 SD MET A 80 0.026 5.793 2.245 1.00 1.23 S ATOM 1242 CE MET A 80 0.870 7.353 1.993 1.00 13.51 C ATOM 0 H MET A 80 2.533 5.598 6.282 1.00 64.45 H new ATOM 0 HA MET A 80 1.224 3.349 5.360 1.00 32.54 H new ATOM 0 HB2 MET A 80 2.644 5.681 4.112 1.00 34.44 H new ATOM 0 HB3 MET A 80 2.184 4.353 3.065 1.00 34.44 H new ATOM 0 HG2 MET A 80 -0.161 4.672 4.352 1.00 31.03 H new ATOM 0 HG3 MET A 80 0.461 6.299 4.544 1.00 31.03 H new ATOM 0 HE1 MET A 80 0.183 8.070 1.542 1.00 13.51 H new ATOM 0 HE2 MET A 80 1.218 7.737 2.952 1.00 13.51 H new ATOM 0 HE3 MET A 80 1.723 7.202 1.331 1.00 13.51 H new ATOM 1252 N LYS A 81 4.450 3.290 4.597 1.00 2.31 N ATOM 1253 CA LYS A 81 5.548 2.406 4.226 1.00 10.35 C ATOM 1254 C LYS A 81 5.613 1.199 5.157 1.00 42.03 C ATOM 1255 O LYS A 81 5.787 0.067 4.708 1.00 45.41 O ATOM 1256 CB LYS A 81 6.877 3.165 4.265 1.00 60.13 C ATOM 1257 CG LYS A 81 7.230 3.839 2.950 1.00 14.31 C ATOM 1258 CD LYS A 81 8.715 4.146 2.864 1.00 22.24 C ATOM 1259 CE LYS A 81 9.494 2.973 2.290 1.00 61.30 C ATOM 1260 NZ LYS A 81 9.210 2.774 0.841 1.00 32.52 N ATOM 0 H LYS A 81 4.716 4.268 4.708 1.00 2.31 H new ATOM 0 HA LYS A 81 5.369 2.051 3.211 1.00 10.35 H new ATOM 0 HB2 LYS A 81 6.832 3.920 5.050 1.00 60.13 H new ATOM 0 HB3 LYS A 81 7.674 2.472 4.534 1.00 60.13 H new ATOM 0 HG2 LYS A 81 6.942 3.194 2.120 1.00 14.31 H new ATOM 0 HG3 LYS A 81 6.660 4.762 2.848 1.00 14.31 H new ATOM 0 HD2 LYS A 81 8.870 5.027 2.241 1.00 22.24 H new ATOM 0 HD3 LYS A 81 9.096 4.386 3.857 1.00 22.24 H new ATOM 0 HE2 LYS A 81 10.562 3.142 2.431 1.00 61.30 H new ATOM 0 HE3 LYS A 81 9.240 2.066 2.838 1.00 61.30 H new ATOM 0 HZ1 LYS A 81 9.976 2.217 0.410 1.00 32.52 H new ATOM 0 HZ2 LYS A 81 8.309 2.267 0.730 1.00 32.52 H new ATOM 0 HZ3 LYS A 81 9.147 3.699 0.369 1.00 32.52 H new ATOM 1274 N GLU A 82 5.470 1.450 6.454 1.00 62.03 N ATOM 1275 CA GLU A 82 5.511 0.382 7.448 1.00 24.34 C ATOM 1276 C GLU A 82 4.308 -0.544 7.299 1.00 33.55 C ATOM 1277 O GLU A 82 4.414 -1.756 7.499 1.00 23.12 O ATOM 1278 CB GLU A 82 5.546 0.970 8.859 1.00 33.10 C ATOM 1279 CG GLU A 82 6.905 1.529 9.253 1.00 44.12 C ATOM 1280 CD GLU A 82 7.658 0.616 10.199 1.00 22.45 C ATOM 1281 OE1 GLU A 82 7.204 0.447 11.349 1.00 51.32 O ATOM 1282 OE2 GLU A 82 8.705 0.070 9.789 1.00 23.42 O ATOM 0 H GLU A 82 5.325 2.382 6.842 1.00 62.03 H new ATOM 0 HA GLU A 82 6.418 -0.200 7.283 1.00 24.34 H new ATOM 0 HB2 GLU A 82 4.802 1.763 8.932 1.00 33.10 H new ATOM 0 HB3 GLU A 82 5.260 0.197 9.573 1.00 33.10 H new ATOM 0 HG2 GLU A 82 7.502 1.688 8.355 1.00 44.12 H new ATOM 0 HG3 GLU A 82 6.771 2.503 9.724 1.00 44.12 H new ATOM 1290 N THR A 83 3.163 0.033 6.950 1.00 33.41 N ATOM 1291 CA THR A 83 1.939 -0.739 6.778 1.00 22.04 C ATOM 1292 C THR A 83 1.943 -1.487 5.450 1.00 42.23 C ATOM 1293 O THR A 83 1.244 -2.488 5.286 1.00 3.34 O ATOM 1294 CB THR A 83 0.692 0.162 6.844 1.00 24.31 C ATOM 1295 OG1 THR A 83 0.665 0.871 8.088 1.00 50.01 O ATOM 1296 CG2 THR A 83 -0.580 -0.660 6.695 1.00 34.35 C ATOM 0 H THR A 83 3.058 1.033 6.781 1.00 33.41 H new ATOM 0 HA THR A 83 1.901 -1.458 7.596 1.00 22.04 H new ATOM 0 HB THR A 83 0.743 0.875 6.021 1.00 24.31 H new ATOM 0 HG1 THR A 83 1.364 1.558 8.088 1.00 50.01 H new ATOM 0 HG21 THR A 83 -1.447 -0.001 6.745 1.00 34.35 H new ATOM 0 HG22 THR A 83 -0.570 -1.175 5.734 1.00 34.35 H new ATOM 0 HG23 THR A 83 -0.635 -1.394 7.499 1.00 34.35 H new ATOM 1304 N LEU A 84 2.733 -0.995 4.501 1.00 53.32 N ATOM 1305 CA LEU A 84 2.829 -1.617 3.185 1.00 14.22 C ATOM 1306 C LEU A 84 3.446 -3.008 3.285 1.00 50.13 C ATOM 1307 O LEU A 84 2.826 -4.002 2.906 1.00 44.03 O ATOM 1308 CB LEU A 84 3.660 -0.743 2.246 1.00 33.44 C ATOM 1309 CG LEU A 84 4.148 -1.414 0.962 1.00 32.24 C ATOM 1310 CD1 LEU A 84 3.057 -1.398 -0.098 1.00 1.24 C ATOM 1311 CD2 LEU A 84 5.405 -0.728 0.446 1.00 43.22 C ATOM 0 H LEU A 84 3.316 -0.167 4.619 1.00 53.32 H new ATOM 0 HA LEU A 84 1.821 -1.715 2.781 1.00 14.22 H new ATOM 0 HB2 LEU A 84 3.066 0.129 1.973 1.00 33.44 H new ATOM 0 HB3 LEU A 84 4.529 -0.379 2.795 1.00 33.44 H new ATOM 0 HG LEU A 84 4.391 -2.452 1.188 1.00 32.24 H new ATOM 0 HD11 LEU A 84 3.423 -1.880 -1.004 1.00 1.24 H new ATOM 0 HD12 LEU A 84 2.183 -1.935 0.271 1.00 1.24 H new ATOM 0 HD13 LEU A 84 2.782 -0.367 -0.321 1.00 1.24 H new ATOM 0 HD21 LEU A 84 5.738 -1.219 -0.468 1.00 43.22 H new ATOM 0 HD22 LEU A 84 5.188 0.320 0.237 1.00 43.22 H new ATOM 0 HD23 LEU A 84 6.190 -0.793 1.199 1.00 43.22 H new ATOM 1323 N GLN A 85 4.671 -3.072 3.797 1.00 14.42 N ATOM 1324 CA GLN A 85 5.372 -4.341 3.947 1.00 0.32 C ATOM 1325 C GLN A 85 4.538 -5.332 4.753 1.00 1.10 C ATOM 1326 O GLN A 85 4.646 -6.543 4.571 1.00 2.44 O ATOM 1327 CB GLN A 85 6.725 -4.124 4.627 1.00 45.24 C ATOM 1328 CG GLN A 85 6.667 -3.167 5.806 1.00 0.11 C ATOM 1329 CD GLN A 85 7.812 -3.367 6.779 1.00 52.04 C ATOM 1330 OE1 GLN A 85 8.706 -4.182 6.543 1.00 43.43 O ATOM 1331 NE2 GLN A 85 7.792 -2.626 7.880 1.00 52.12 N ATOM 0 H GLN A 85 5.199 -2.259 4.115 1.00 14.42 H new ATOM 0 HA GLN A 85 5.536 -4.756 2.952 1.00 0.32 H new ATOM 0 HB2 GLN A 85 7.109 -5.085 4.969 1.00 45.24 H new ATOM 0 HB3 GLN A 85 7.434 -3.740 3.893 1.00 45.24 H new ATOM 0 HG2 GLN A 85 6.684 -2.141 5.437 1.00 0.11 H new ATOM 0 HG3 GLN A 85 5.721 -3.301 6.331 1.00 0.11 H new ATOM 0 HE21 GLN A 85 7.032 -1.963 8.035 1.00 52.12 H new ATOM 0 HE22 GLN A 85 8.536 -2.719 8.571 1.00 52.12 H new ATOM 1340 N ASN A 86 3.704 -4.807 5.646 1.00 15.42 N ATOM 1341 CA ASN A 86 2.852 -5.644 6.481 1.00 73.25 C ATOM 1342 C ASN A 86 1.603 -6.078 5.721 1.00 40.12 C ATOM 1343 O ASN A 86 1.066 -7.163 5.952 1.00 2.53 O ATOM 1344 CB ASN A 86 2.454 -4.894 7.754 1.00 44.13 C ATOM 1345 CG ASN A 86 3.579 -4.837 8.769 1.00 32.24 C ATOM 1346 OD1 ASN A 86 4.690 -4.408 8.456 1.00 53.42 O ATOM 1347 ND2 ASN A 86 3.297 -5.274 9.990 1.00 51.23 N ATOM 0 H ASN A 86 3.601 -3.805 5.809 1.00 15.42 H new ATOM 0 HA ASN A 86 3.417 -6.535 6.755 1.00 73.25 H new ATOM 0 HB2 ASN A 86 2.151 -3.880 7.495 1.00 44.13 H new ATOM 0 HB3 ASN A 86 1.588 -5.380 8.203 1.00 44.13 H new ATOM 0 HD21 ASN A 86 4.015 -5.263 10.714 1.00 51.23 H new ATOM 0 HD22 ASN A 86 2.362 -5.621 10.204 1.00 51.23 H new ATOM 1354 N VAL A 87 1.143 -5.223 4.812 1.00 40.42 N ATOM 1355 CA VAL A 87 -0.043 -5.519 4.016 1.00 2.24 C ATOM 1356 C VAL A 87 0.263 -6.553 2.939 1.00 11.34 C ATOM 1357 O VAL A 87 -0.432 -7.563 2.820 1.00 41.31 O ATOM 1358 CB VAL A 87 -0.600 -4.248 3.348 1.00 5.00 C ATOM 1359 CG1 VAL A 87 -1.517 -4.610 2.191 1.00 73.43 C ATOM 1360 CG2 VAL A 87 -1.329 -3.387 4.368 1.00 5.33 C ATOM 0 H VAL A 87 1.573 -4.321 4.609 1.00 40.42 H new ATOM 0 HA VAL A 87 -0.792 -5.921 4.699 1.00 2.24 H new ATOM 0 HB VAL A 87 0.235 -3.672 2.950 1.00 5.00 H new ATOM 0 HG11 VAL A 87 -1.901 -3.699 1.732 1.00 73.43 H new ATOM 0 HG12 VAL A 87 -0.959 -5.183 1.450 1.00 73.43 H new ATOM 0 HG13 VAL A 87 -2.350 -5.208 2.560 1.00 73.43 H new ATOM 0 HG21 VAL A 87 -1.716 -2.493 3.879 1.00 5.33 H new ATOM 0 HG22 VAL A 87 -2.156 -3.953 4.797 1.00 5.33 H new ATOM 0 HG23 VAL A 87 -0.638 -3.097 5.160 1.00 5.33 H new ATOM 1370 N ARG A 88 1.306 -6.296 2.157 1.00 0.13 N ATOM 1371 CA ARG A 88 1.703 -7.206 1.089 1.00 21.21 C ATOM 1372 C ARG A 88 1.731 -8.648 1.585 1.00 12.14 C ATOM 1373 O ARG A 88 1.314 -9.567 0.879 1.00 34.13 O ATOM 1374 CB ARG A 88 3.079 -6.816 0.543 1.00 61.13 C ATOM 1375 CG ARG A 88 3.017 -5.862 -0.639 1.00 42.00 C ATOM 1376 CD ARG A 88 4.059 -4.760 -0.520 1.00 75.25 C ATOM 1377 NE ARG A 88 4.461 -4.246 -1.826 1.00 11.54 N ATOM 1378 CZ ARG A 88 5.066 -4.981 -2.752 1.00 35.42 C ATOM 1379 NH1 ARG A 88 5.335 -6.257 -2.518 1.00 12.14 N ATOM 1380 NH2 ARG A 88 5.401 -4.441 -3.916 1.00 2.04 N ATOM 0 H ARG A 88 1.892 -5.465 2.243 1.00 0.13 H new ATOM 0 HA ARG A 88 0.967 -7.130 0.289 1.00 21.21 H new ATOM 0 HB2 ARG A 88 3.660 -6.354 1.342 1.00 61.13 H new ATOM 0 HB3 ARG A 88 3.611 -7.719 0.243 1.00 61.13 H new ATOM 0 HG2 ARG A 88 3.176 -6.416 -1.564 1.00 42.00 H new ATOM 0 HG3 ARG A 88 2.023 -5.419 -0.699 1.00 42.00 H new ATOM 0 HD2 ARG A 88 3.658 -3.945 0.083 1.00 75.25 H new ATOM 0 HD3 ARG A 88 4.934 -5.143 0.004 1.00 75.25 H new ATOM 0 HE ARG A 88 4.266 -3.268 -2.039 1.00 11.54 H new ATOM 0 HH11 ARG A 88 5.077 -6.677 -1.625 1.00 12.14 H new ATOM 0 HH12 ARG A 88 5.800 -6.819 -3.231 1.00 12.14 H new ATOM 0 HH21 ARG A 88 5.194 -3.460 -4.101 1.00 2.04 H new ATOM 0 HH22 ARG A 88 5.866 -5.007 -4.626 1.00 2.04 H new ATOM 1394 N THR A 89 2.225 -8.840 2.805 1.00 25.43 N ATOM 1395 CA THR A 89 2.310 -10.169 3.394 1.00 52.34 C ATOM 1396 C THR A 89 0.928 -10.796 3.535 1.00 72.25 C ATOM 1397 O THR A 89 0.764 -12.005 3.358 1.00 52.31 O ATOM 1398 CB THR A 89 2.985 -10.128 4.778 1.00 1.40 C ATOM 1399 OG1 THR A 89 4.403 -10.272 4.637 1.00 44.31 O ATOM 1400 CG2 THR A 89 2.445 -11.230 5.677 1.00 71.13 C ATOM 0 H THR A 89 2.572 -8.091 3.404 1.00 25.43 H new ATOM 0 HA THR A 89 2.915 -10.775 2.720 1.00 52.34 H new ATOM 0 HB THR A 89 2.762 -9.165 5.237 1.00 1.40 H new ATOM 0 HG1 THR A 89 4.824 -10.243 5.521 1.00 44.31 H new ATOM 0 HG21 THR A 89 2.937 -11.181 6.649 1.00 71.13 H new ATOM 0 HG22 THR A 89 1.371 -11.100 5.807 1.00 71.13 H new ATOM 0 HG23 THR A 89 2.640 -12.200 5.220 1.00 71.13 H new ATOM 1408 N ARG A 90 -0.064 -9.970 3.850 1.00 34.52 N ATOM 1409 CA ARG A 90 -1.433 -10.446 4.013 1.00 11.31 C ATOM 1410 C ARG A 90 -2.040 -10.828 2.668 1.00 41.30 C ATOM 1411 O ARG A 90 -2.554 -11.934 2.498 1.00 75.42 O ATOM 1412 CB ARG A 90 -2.291 -9.372 4.687 1.00 33.03 C ATOM 1413 CG ARG A 90 -1.651 -8.768 5.926 1.00 33.31 C ATOM 1414 CD ARG A 90 -1.945 -9.597 7.167 1.00 61.32 C ATOM 1415 NE ARG A 90 -2.710 -8.845 8.157 1.00 13.35 N ATOM 1416 CZ ARG A 90 -2.230 -7.791 8.810 1.00 74.00 C ATOM 1417 NH1 ARG A 90 -0.995 -7.369 8.577 1.00 31.31 N ATOM 1418 NH2 ARG A 90 -2.986 -7.158 9.698 1.00 15.24 N ATOM 0 H ARG A 90 0.054 -8.968 3.998 1.00 34.52 H new ATOM 0 HA ARG A 90 -1.410 -11.333 4.645 1.00 11.31 H new ATOM 0 HB2 ARG A 90 -2.493 -8.577 3.969 1.00 33.03 H new ATOM 0 HB3 ARG A 90 -3.253 -9.806 4.960 1.00 33.03 H new ATOM 0 HG2 ARG A 90 -0.573 -8.697 5.782 1.00 33.31 H new ATOM 0 HG3 ARG A 90 -2.021 -7.753 6.070 1.00 33.31 H new ATOM 0 HD2 ARG A 90 -2.500 -10.491 6.883 1.00 61.32 H new ATOM 0 HD3 ARG A 90 -1.007 -9.931 7.611 1.00 61.32 H new ATOM 0 HE ARG A 90 -3.664 -9.144 8.359 1.00 13.35 H new ATOM 0 HH11 ARG A 90 -0.411 -7.853 7.895 1.00 31.31 H new ATOM 0 HH12 ARG A 90 -0.629 -6.560 9.079 1.00 31.31 H new ATOM 0 HH21 ARG A 90 -3.937 -7.480 9.880 1.00 15.24 H new ATOM 0 HH22 ARG A 90 -2.617 -6.350 10.198 1.00 15.24 H new ATOM 1432 N LEU A 91 -1.977 -9.906 1.713 1.00 31.20 N ATOM 1433 CA LEU A 91 -2.520 -10.146 0.380 1.00 53.31 C ATOM 1434 C LEU A 91 -1.989 -11.454 -0.197 1.00 13.02 C ATOM 1435 O LEU A 91 -2.617 -12.060 -1.064 1.00 42.43 O ATOM 1436 CB LEU A 91 -2.171 -8.985 -0.551 1.00 3.43 C ATOM 1437 CG LEU A 91 -2.663 -9.109 -1.994 1.00 15.52 C ATOM 1438 CD1 LEU A 91 -4.179 -9.220 -2.032 1.00 40.44 C ATOM 1439 CD2 LEU A 91 -2.193 -7.923 -2.823 1.00 14.52 C ATOM 0 H LEU A 91 -1.555 -8.986 1.837 1.00 31.20 H new ATOM 0 HA LEU A 91 -3.604 -10.222 0.464 1.00 53.31 H new ATOM 0 HB2 LEU A 91 -2.581 -8.069 -0.126 1.00 3.43 H new ATOM 0 HB3 LEU A 91 -1.087 -8.871 -0.567 1.00 3.43 H new ATOM 0 HG LEU A 91 -2.241 -10.017 -2.425 1.00 15.52 H new ATOM 0 HD11 LEU A 91 -4.512 -9.307 -3.066 1.00 40.44 H new ATOM 0 HD12 LEU A 91 -4.493 -10.102 -1.474 1.00 40.44 H new ATOM 0 HD13 LEU A 91 -4.620 -8.330 -1.583 1.00 40.44 H new ATOM 0 HD21 LEU A 91 -2.553 -8.029 -3.846 1.00 14.52 H new ATOM 0 HD22 LEU A 91 -2.585 -7.001 -2.394 1.00 14.52 H new ATOM 0 HD23 LEU A 91 -1.104 -7.888 -2.823 1.00 14.52 H new ATOM 1451 N GLU A 92 -0.829 -11.882 0.291 1.00 11.00 N ATOM 1452 CA GLU A 92 -0.215 -13.120 -0.176 1.00 71.13 C ATOM 1453 C GLU A 92 -0.734 -14.318 0.614 1.00 62.03 C ATOM 1454 O GLU A 92 -1.054 -15.360 0.043 1.00 40.12 O ATOM 1455 CB GLU A 92 1.308 -13.036 -0.058 1.00 3.22 C ATOM 1456 CG GLU A 92 2.026 -13.054 -1.397 1.00 44.20 C ATOM 1457 CD GLU A 92 2.971 -14.231 -1.536 1.00 5.12 C ATOM 1458 OE1 GLU A 92 4.199 -14.012 -1.494 1.00 22.22 O ATOM 1459 OE2 GLU A 92 2.482 -15.370 -1.689 1.00 54.21 O ATOM 0 H GLU A 92 -0.296 -11.391 1.009 1.00 11.00 H new ATOM 0 HA GLU A 92 -0.483 -13.256 -1.224 1.00 71.13 H new ATOM 0 HB2 GLU A 92 1.573 -12.122 0.474 1.00 3.22 H new ATOM 0 HB3 GLU A 92 1.663 -13.871 0.546 1.00 3.22 H new ATOM 0 HG2 GLU A 92 1.289 -13.088 -2.200 1.00 44.20 H new ATOM 0 HG3 GLU A 92 2.586 -12.127 -1.517 1.00 44.20 H new ATOM 1467 N ILE A 93 -0.811 -14.161 1.932 1.00 23.04 N ATOM 1468 CA ILE A 93 -1.290 -15.228 2.801 1.00 1.34 C ATOM 1469 C ILE A 93 -2.727 -15.609 2.463 1.00 5.23 C ATOM 1470 O ILE A 93 -3.144 -16.749 2.670 1.00 25.14 O ATOM 1471 CB ILE A 93 -1.213 -14.823 4.285 1.00 4.42 C ATOM 1472 CG1 ILE A 93 0.235 -14.876 4.777 1.00 50.35 C ATOM 1473 CG2 ILE A 93 -2.099 -15.728 5.128 1.00 44.32 C ATOM 1474 CD1 ILE A 93 0.386 -14.548 6.245 1.00 71.50 C ATOM 0 H ILE A 93 -0.548 -13.305 2.420 1.00 23.04 H new ATOM 0 HA ILE A 93 -0.640 -16.087 2.633 1.00 1.34 H new ATOM 0 HB ILE A 93 -1.573 -13.799 4.386 1.00 4.42 H new ATOM 0 HG12 ILE A 93 0.637 -15.872 4.592 1.00 50.35 H new ATOM 0 HG13 ILE A 93 0.834 -14.177 4.193 1.00 50.35 H new ATOM 0 HG21 ILE A 93 -2.034 -15.429 6.174 1.00 44.32 H new ATOM 0 HG22 ILE A 93 -3.132 -15.643 4.790 1.00 44.32 H new ATOM 0 HG23 ILE A 93 -1.767 -16.761 5.024 1.00 44.32 H new ATOM 0 HD11 ILE A 93 1.438 -14.605 6.524 1.00 71.50 H new ATOM 0 HD12 ILE A 93 0.015 -13.541 6.433 1.00 71.50 H new ATOM 0 HD13 ILE A 93 -0.186 -15.262 6.838 1.00 71.50 H new ATOM 1486 N LEU A 94 -3.481 -14.647 1.942 1.00 64.22 N ATOM 1487 CA LEU A 94 -4.873 -14.881 1.572 1.00 72.11 C ATOM 1488 C LEU A 94 -4.969 -15.855 0.402 1.00 50.41 C ATOM 1489 O LEU A 94 -5.715 -16.833 0.457 1.00 1.05 O ATOM 1490 CB LEU A 94 -5.554 -13.561 1.208 1.00 53.41 C ATOM 1491 CG LEU A 94 -6.493 -12.976 2.266 1.00 63.51 C ATOM 1492 CD1 LEU A 94 -6.187 -11.505 2.497 1.00 61.32 C ATOM 1493 CD2 LEU A 94 -7.944 -13.162 1.848 1.00 54.23 C ATOM 0 H LEU A 94 -3.152 -13.698 1.766 1.00 64.22 H new ATOM 0 HA LEU A 94 -5.382 -15.321 2.430 1.00 72.11 H new ATOM 0 HB2 LEU A 94 -4.781 -12.824 0.990 1.00 53.41 H new ATOM 0 HB3 LEU A 94 -6.121 -13.709 0.289 1.00 53.41 H new ATOM 0 HG LEU A 94 -6.333 -13.509 3.203 1.00 63.51 H new ATOM 0 HD11 LEU A 94 -6.865 -11.107 3.252 1.00 61.32 H new ATOM 0 HD12 LEU A 94 -5.158 -11.397 2.840 1.00 61.32 H new ATOM 0 HD13 LEU A 94 -6.319 -10.955 1.565 1.00 61.32 H new ATOM 0 HD21 LEU A 94 -8.599 -12.741 2.611 1.00 54.23 H new ATOM 0 HD22 LEU A 94 -8.117 -12.654 0.900 1.00 54.23 H new ATOM 0 HD23 LEU A 94 -8.156 -14.225 1.734 1.00 54.23 H new ATOM 1505 N GLU A 95 -4.209 -15.582 -0.653 1.00 52.41 N ATOM 1506 CA GLU A 95 -4.208 -16.435 -1.836 1.00 54.50 C ATOM 1507 C GLU A 95 -3.771 -17.853 -1.482 1.00 71.52 C ATOM 1508 O GLU A 95 -4.446 -18.826 -1.821 1.00 51.04 O ATOM 1509 CB GLU A 95 -3.284 -15.857 -2.908 1.00 34.41 C ATOM 1510 CG GLU A 95 -3.332 -14.342 -3.002 1.00 2.40 C ATOM 1511 CD GLU A 95 -3.086 -13.837 -4.410 1.00 24.21 C ATOM 1512 OE1 GLU A 95 -4.072 -13.512 -5.105 1.00 54.10 O ATOM 1513 OE2 GLU A 95 -1.908 -13.767 -4.819 1.00 63.41 O ATOM 0 H GLU A 95 -3.586 -14.777 -0.713 1.00 52.41 H new ATOM 0 HA GLU A 95 -5.225 -16.473 -2.227 1.00 54.50 H new ATOM 0 HB2 GLU A 95 -2.260 -16.167 -2.699 1.00 34.41 H new ATOM 0 HB3 GLU A 95 -3.554 -16.281 -3.875 1.00 34.41 H new ATOM 0 HG2 GLU A 95 -4.305 -13.991 -2.659 1.00 2.40 H new ATOM 0 HG3 GLU A 95 -2.585 -13.916 -2.332 1.00 2.40 H new ATOM 1521 N LYS A 96 -2.637 -17.965 -0.798 1.00 42.53 N ATOM 1522 CA LYS A 96 -2.109 -19.263 -0.396 1.00 4.23 C ATOM 1523 C LYS A 96 -2.942 -19.865 0.729 1.00 40.11 C ATOM 1524 O LYS A 96 -2.638 -20.948 1.229 1.00 52.40 O ATOM 1525 CB LYS A 96 -0.651 -19.127 0.050 1.00 43.44 C ATOM 1526 CG LYS A 96 -0.488 -18.428 1.388 1.00 34.14 C ATOM 1527 CD LYS A 96 -0.016 -19.391 2.466 1.00 43.41 C ATOM 1528 CE LYS A 96 1.501 -19.492 2.499 1.00 44.42 C ATOM 1529 NZ LYS A 96 2.040 -19.302 3.873 1.00 75.42 N ATOM 0 H LYS A 96 -2.065 -17.171 -0.510 1.00 42.53 H new ATOM 0 HA LYS A 96 -2.159 -19.930 -1.257 1.00 4.23 H new ATOM 0 HB2 LYS A 96 -0.204 -20.119 0.111 1.00 43.44 H new ATOM 0 HB3 LYS A 96 -0.097 -18.574 -0.709 1.00 43.44 H new ATOM 0 HG2 LYS A 96 0.228 -17.612 1.289 1.00 34.14 H new ATOM 0 HG3 LYS A 96 -1.438 -17.984 1.686 1.00 34.14 H new ATOM 0 HD2 LYS A 96 -0.381 -19.058 3.438 1.00 43.41 H new ATOM 0 HD3 LYS A 96 -0.443 -20.377 2.286 1.00 43.41 H new ATOM 0 HE2 LYS A 96 1.808 -20.467 2.120 1.00 44.42 H new ATOM 0 HE3 LYS A 96 1.929 -18.742 1.834 1.00 44.42 H new ATOM 0 HZ1 LYS A 96 3.077 -19.378 3.853 1.00 75.42 H new ATOM 0 HZ2 LYS A 96 1.769 -18.362 4.225 1.00 75.42 H new ATOM 0 HZ3 LYS A 96 1.651 -20.033 4.502 1.00 75.42 H new ATOM 1543 N GLY A 97 -3.996 -19.157 1.124 1.00 61.23 N ATOM 1544 CA GLY A 97 -4.858 -19.639 2.188 1.00 24.03 C ATOM 1545 C GLY A 97 -6.180 -20.168 1.668 1.00 11.42 C ATOM 1546 O GLY A 97 -6.625 -21.248 2.063 1.00 3.44 O ATOM 0 H GLY A 97 -4.268 -18.258 0.726 1.00 61.23 H new ATOM 0 HA2 GLY A 97 -4.345 -20.428 2.737 1.00 24.03 H new ATOM 0 HA3 GLY A 97 -5.046 -18.830 2.894 1.00 24.03 H new ATOM 1550 N LEU A 98 -6.811 -19.407 0.780 1.00 54.55 N ATOM 1551 CA LEU A 98 -8.093 -19.806 0.207 1.00 24.04 C ATOM 1552 C LEU A 98 -7.924 -20.997 -0.730 1.00 4.11 C ATOM 1553 O LEU A 98 -8.879 -21.720 -1.009 1.00 34.43 O ATOM 1554 CB LEU A 98 -8.721 -18.633 -0.548 1.00 65.01 C ATOM 1555 CG LEU A 98 -8.516 -18.623 -2.064 1.00 40.10 C ATOM 1556 CD1 LEU A 98 -9.466 -17.639 -2.726 1.00 51.33 C ATOM 1557 CD2 LEU A 98 -7.072 -18.283 -2.403 1.00 22.32 C ATOM 0 H LEU A 98 -6.457 -18.512 0.442 1.00 54.55 H new ATOM 0 HA LEU A 98 -8.753 -20.101 1.023 1.00 24.04 H new ATOM 0 HB2 LEU A 98 -9.792 -18.629 -0.346 1.00 65.01 H new ATOM 0 HB3 LEU A 98 -8.316 -17.706 -0.141 1.00 65.01 H new ATOM 0 HG LEU A 98 -8.735 -19.620 -2.447 1.00 40.10 H new ATOM 0 HD11 LEU A 98 -9.305 -17.647 -3.804 1.00 51.33 H new ATOM 0 HD12 LEU A 98 -10.495 -17.926 -2.511 1.00 51.33 H new ATOM 0 HD13 LEU A 98 -9.280 -16.637 -2.338 1.00 51.33 H new ATOM 0 HD21 LEU A 98 -6.943 -18.280 -3.485 1.00 22.32 H new ATOM 0 HD22 LEU A 98 -6.827 -17.298 -2.006 1.00 22.32 H new ATOM 0 HD23 LEU A 98 -6.410 -19.027 -1.961 1.00 22.32 H new ATOM 1569 N ALA A 99 -6.701 -21.195 -1.212 1.00 30.23 N ATOM 1570 CA ALA A 99 -6.404 -22.301 -2.114 1.00 64.14 C ATOM 1571 C ALA A 99 -6.934 -23.619 -1.559 1.00 64.20 C ATOM 1572 O ALA A 99 -7.543 -23.655 -0.488 1.00 45.12 O ATOM 1573 CB ALA A 99 -4.906 -22.395 -2.360 1.00 4.41 C ATOM 0 H ALA A 99 -5.900 -20.603 -0.993 1.00 30.23 H new ATOM 0 HA ALA A 99 -6.905 -22.108 -3.063 1.00 64.14 H new ATOM 0 HB1 ALA A 99 -4.700 -23.225 -3.035 1.00 4.41 H new ATOM 0 HB2 ALA A 99 -4.552 -21.466 -2.808 1.00 4.41 H new ATOM 0 HB3 ALA A 99 -4.392 -22.561 -1.413 1.00 4.41 H new ATOM 1579 N THR A 100 -6.701 -24.702 -2.295 1.00 54.32 N ATOM 1580 CA THR A 100 -7.156 -26.021 -1.877 1.00 55.33 C ATOM 1581 C THR A 100 -7.039 -26.192 -0.366 1.00 51.23 C ATOM 1582 O THR A 100 -5.946 -26.397 0.162 1.00 73.41 O ATOM 1583 CB THR A 100 -6.355 -27.138 -2.570 1.00 70.55 C ATOM 1584 OG1 THR A 100 -5.110 -26.621 -3.053 1.00 2.43 O ATOM 1585 CG2 THR A 100 -7.144 -27.734 -3.727 1.00 41.02 C ATOM 0 H THR A 100 -6.200 -24.690 -3.183 1.00 54.32 H new ATOM 0 HA THR A 100 -8.203 -26.099 -2.169 1.00 55.33 H new ATOM 0 HB THR A 100 -6.164 -27.923 -1.839 1.00 70.55 H new ATOM 0 HG1 THR A 100 -4.606 -27.338 -3.491 1.00 2.43 H new ATOM 0 HG21 THR A 100 -6.557 -28.521 -4.201 1.00 41.02 H new ATOM 0 HG22 THR A 100 -8.078 -28.153 -3.353 1.00 41.02 H new ATOM 0 HG23 THR A 100 -7.363 -26.955 -4.457 1.00 41.02 H new ATOM 1593 N SER A 101 -8.172 -26.104 0.324 1.00 60.21 N ATOM 1594 CA SER A 101 -8.195 -26.246 1.775 1.00 2.15 C ATOM 1595 C SER A 101 -9.577 -26.674 2.258 1.00 43.45 C ATOM 1596 O SER A 101 -10.523 -26.759 1.472 1.00 51.34 O ATOM 1597 CB SER A 101 -7.796 -24.928 2.443 1.00 15.33 C ATOM 1598 OG SER A 101 -8.845 -24.428 3.254 1.00 32.03 O ATOM 0 H SER A 101 -9.085 -25.935 -0.098 1.00 60.21 H new ATOM 0 HA SER A 101 -7.477 -27.019 2.051 1.00 2.15 H new ATOM 0 HB2 SER A 101 -6.904 -25.080 3.050 1.00 15.33 H new ATOM 0 HB3 SER A 101 -7.540 -24.193 1.680 1.00 15.33 H new ATOM 0 HG SER A 101 -8.564 -23.586 3.670 1.00 32.03 H new ATOM 1604 N LEU A 102 -9.688 -26.941 3.554 1.00 51.33 N ATOM 1605 CA LEU A 102 -10.956 -27.362 4.143 1.00 21.10 C ATOM 1606 C LEU A 102 -11.582 -26.229 4.951 1.00 42.23 C ATOM 1607 O LEU A 102 -10.918 -25.244 5.275 1.00 75.14 O ATOM 1608 CB LEU A 102 -10.744 -28.584 5.037 1.00 55.12 C ATOM 1609 CG LEU A 102 -9.857 -29.690 4.464 1.00 23.20 C ATOM 1610 CD1 LEU A 102 -8.390 -29.381 4.717 1.00 33.02 C ATOM 1611 CD2 LEU A 102 -10.231 -31.038 5.061 1.00 71.32 C ATOM 0 H LEU A 102 -8.916 -26.874 4.218 1.00 51.33 H new ATOM 0 HA LEU A 102 -11.636 -27.626 3.333 1.00 21.10 H new ATOM 0 HB2 LEU A 102 -10.310 -28.249 5.979 1.00 55.12 H new ATOM 0 HB3 LEU A 102 -11.719 -29.012 5.270 1.00 55.12 H new ATOM 0 HG LEU A 102 -10.017 -29.736 3.387 1.00 23.20 H new ATOM 0 HD11 LEU A 102 -7.773 -30.179 4.303 1.00 33.02 H new ATOM 0 HD12 LEU A 102 -8.130 -28.436 4.240 1.00 33.02 H new ATOM 0 HD13 LEU A 102 -8.214 -29.306 5.790 1.00 33.02 H new ATOM 0 HD21 LEU A 102 -9.589 -31.813 4.641 1.00 71.32 H new ATOM 0 HD22 LEU A 102 -10.101 -31.006 6.143 1.00 71.32 H new ATOM 0 HD23 LEU A 102 -11.272 -31.263 4.827 1.00 71.32 H new ATOM 1623 N GLN A 103 -12.864 -26.378 5.273 1.00 21.33 N ATOM 1624 CA GLN A 103 -13.578 -25.368 6.044 1.00 73.54 C ATOM 1625 C GLN A 103 -14.758 -25.985 6.789 1.00 63.34 C ATOM 1626 O GLN A 103 -15.818 -26.217 6.207 1.00 32.21 O ATOM 1627 CB GLN A 103 -14.070 -24.248 5.125 1.00 34.32 C ATOM 1628 CG GLN A 103 -14.332 -24.702 3.699 1.00 64.33 C ATOM 1629 CD GLN A 103 -13.259 -24.239 2.732 1.00 43.25 C ATOM 1630 OE1 GLN A 103 -12.735 -25.028 1.947 1.00 25.51 O ATOM 1631 NE2 GLN A 103 -12.931 -22.954 2.784 1.00 40.34 N ATOM 0 H GLN A 103 -13.428 -27.187 5.012 1.00 21.33 H new ATOM 0 HA GLN A 103 -12.887 -24.951 6.776 1.00 73.54 H new ATOM 0 HB2 GLN A 103 -14.987 -23.827 5.538 1.00 34.32 H new ATOM 0 HB3 GLN A 103 -13.330 -23.448 5.113 1.00 34.32 H new ATOM 0 HG2 GLN A 103 -14.393 -25.790 3.674 1.00 64.33 H new ATOM 0 HG3 GLN A 103 -15.299 -24.320 3.372 1.00 64.33 H new ATOM 0 HE21 GLN A 103 -13.393 -22.336 3.452 1.00 40.34 H new ATOM 0 HE22 GLN A 103 -12.217 -22.584 2.156 1.00 40.34 H new ATOM 1640 N ASN A 104 -14.566 -26.251 8.077 1.00 64.23 N ATOM 1641 CA ASN A 104 -15.614 -26.843 8.899 1.00 43.33 C ATOM 1642 C ASN A 104 -16.054 -25.879 9.996 1.00 51.51 C ATOM 1643 O ASN A 104 -17.084 -26.083 10.640 1.00 21.43 O ATOM 1644 CB ASN A 104 -15.125 -28.152 9.521 1.00 75.23 C ATOM 1645 CG ASN A 104 -15.771 -29.371 8.890 1.00 11.33 C ATOM 1646 OD1 ASN A 104 -15.360 -29.822 7.821 1.00 32.12 O ATOM 1647 ND2 ASN A 104 -16.791 -29.907 9.551 1.00 32.51 N ATOM 0 H ASN A 104 -13.694 -26.066 8.573 1.00 64.23 H new ATOM 0 HA ASN A 104 -16.470 -27.051 8.258 1.00 43.33 H new ATOM 0 HB2 ASN A 104 -14.043 -28.221 9.412 1.00 75.23 H new ATOM 0 HB3 ASN A 104 -15.338 -28.144 10.590 1.00 75.23 H new ATOM 0 HD21 ASN A 104 -17.268 -30.727 9.175 1.00 32.51 H new ATOM 0 HD22 ASN A 104 -17.097 -29.499 10.434 1.00 32.51 H new ATOM 1654 N ASP A 105 -15.267 -24.829 10.203 1.00 11.35 N ATOM 1655 CA ASP A 105 -15.577 -23.831 11.221 1.00 12.43 C ATOM 1656 C ASP A 105 -16.032 -22.523 10.579 1.00 15.44 C ATOM 1657 O ASP A 105 -16.979 -21.889 11.045 1.00 60.12 O ATOM 1658 CB ASP A 105 -14.355 -23.581 12.107 1.00 53.42 C ATOM 1659 CG ASP A 105 -14.728 -23.368 13.561 1.00 60.03 C ATOM 1660 OD1 ASP A 105 -15.079 -24.360 14.236 1.00 61.10 O ATOM 1661 OD2 ASP A 105 -14.669 -22.210 14.025 1.00 55.20 O ATOM 0 H ASP A 105 -14.410 -24.647 9.680 1.00 11.35 H new ATOM 0 HA ASP A 105 -16.391 -24.215 11.836 1.00 12.43 H new ATOM 0 HB2 ASP A 105 -13.674 -24.429 12.030 1.00 53.42 H new ATOM 0 HB3 ASP A 105 -13.817 -22.706 11.741 1.00 53.42 H new ATOM 1667 N LEU A 106 -15.349 -22.126 9.513 1.00 45.51 N ATOM 1668 CA LEU A 106 -15.683 -20.892 8.807 1.00 20.11 C ATOM 1669 C LEU A 106 -16.514 -21.184 7.562 1.00 12.32 C ATOM 1670 O LEU A 106 -16.895 -22.328 7.314 1.00 71.13 O ATOM 1671 CB LEU A 106 -14.406 -20.143 8.419 1.00 41.41 C ATOM 1672 CG LEU A 106 -13.885 -19.131 9.439 1.00 53.43 C ATOM 1673 CD1 LEU A 106 -12.622 -18.460 8.927 1.00 5.54 C ATOM 1674 CD2 LEU A 106 -14.953 -18.094 9.756 1.00 3.13 C ATOM 0 H LEU A 106 -14.561 -22.639 9.117 1.00 45.51 H new ATOM 0 HA LEU A 106 -16.275 -20.268 9.476 1.00 20.11 H new ATOM 0 HB2 LEU A 106 -13.622 -20.876 8.231 1.00 41.41 H new ATOM 0 HB3 LEU A 106 -14.586 -19.621 7.479 1.00 41.41 H new ATOM 0 HG LEU A 106 -13.641 -19.663 10.358 1.00 53.43 H new ATOM 0 HD11 LEU A 106 -12.266 -17.743 9.666 1.00 5.54 H new ATOM 0 HD12 LEU A 106 -11.854 -19.214 8.753 1.00 5.54 H new ATOM 0 HD13 LEU A 106 -12.839 -17.941 7.993 1.00 5.54 H new ATOM 0 HD21 LEU A 106 -14.564 -17.382 10.484 1.00 3.13 H new ATOM 0 HD22 LEU A 106 -15.229 -17.566 8.844 1.00 3.13 H new ATOM 0 HD23 LEU A 106 -15.831 -18.591 10.168 1.00 3.13 H new ATOM 1686 N GLN A 107 -16.789 -20.143 6.783 1.00 73.14 N ATOM 1687 CA GLN A 107 -17.573 -20.289 5.563 1.00 74.14 C ATOM 1688 C GLN A 107 -19.066 -20.313 5.876 1.00 61.52 C ATOM 1689 O GLN A 107 -19.692 -21.373 5.880 1.00 52.12 O ATOM 1690 CB GLN A 107 -17.175 -21.567 4.824 1.00 35.04 C ATOM 1691 CG GLN A 107 -17.491 -21.537 3.339 1.00 42.31 C ATOM 1692 CD GLN A 107 -18.711 -22.365 2.984 1.00 43.41 C ATOM 1693 OE1 GLN A 107 -19.653 -21.868 2.366 1.00 61.21 O ATOM 1694 NE2 GLN A 107 -18.700 -23.633 3.375 1.00 23.21 N ATOM 0 H GLN A 107 -16.481 -19.190 6.975 1.00 73.14 H new ATOM 0 HA GLN A 107 -17.367 -19.430 4.924 1.00 74.14 H new ATOM 0 HB2 GLN A 107 -16.106 -21.734 4.956 1.00 35.04 H new ATOM 0 HB3 GLN A 107 -17.689 -22.414 5.279 1.00 35.04 H new ATOM 0 HG2 GLN A 107 -17.654 -20.505 3.027 1.00 42.31 H new ATOM 0 HG3 GLN A 107 -16.631 -21.907 2.781 1.00 42.31 H new ATOM 0 HE21 GLN A 107 -17.898 -24.002 3.885 1.00 23.21 H new ATOM 0 HE22 GLN A 107 -19.494 -24.238 3.166 1.00 23.21 H new ATOM 1703 N GLU A 108 -19.631 -19.139 6.137 1.00 24.44 N ATOM 1704 CA GLU A 108 -21.050 -19.027 6.451 1.00 3.31 C ATOM 1705 C GLU A 108 -21.497 -17.567 6.438 1.00 20.41 C ATOM 1706 O GLU A 108 -20.985 -16.743 7.196 1.00 1.04 O ATOM 1707 CB GLU A 108 -21.343 -19.648 7.819 1.00 61.54 C ATOM 1708 CG GLU A 108 -20.747 -18.871 8.980 1.00 74.44 C ATOM 1709 CD GLU A 108 -19.319 -18.437 8.719 1.00 11.03 C ATOM 1710 OE1 GLU A 108 -18.477 -19.312 8.423 1.00 61.00 O ATOM 1711 OE2 GLU A 108 -19.041 -17.223 8.811 1.00 1.43 O ATOM 0 H GLU A 108 -19.128 -18.252 6.137 1.00 24.44 H new ATOM 0 HA GLU A 108 -21.608 -19.567 5.687 1.00 3.31 H new ATOM 0 HB2 GLU A 108 -22.422 -19.716 7.954 1.00 61.54 H new ATOM 0 HB3 GLU A 108 -20.955 -20.666 7.837 1.00 61.54 H new ATOM 0 HG2 GLU A 108 -21.360 -17.991 9.176 1.00 74.44 H new ATOM 0 HG3 GLU A 108 -20.777 -19.487 9.878 1.00 74.44 H new ATOM 1719 N VAL A 109 -22.456 -17.255 5.571 1.00 71.51 N ATOM 1720 CA VAL A 109 -22.972 -15.896 5.459 1.00 63.52 C ATOM 1721 C VAL A 109 -24.461 -15.846 5.781 1.00 0.41 C ATOM 1722 O VAL A 109 -25.213 -16.781 5.506 1.00 23.41 O ATOM 1723 CB VAL A 109 -22.745 -15.325 4.047 1.00 5.24 C ATOM 1724 CG1 VAL A 109 -21.259 -15.144 3.776 1.00 10.33 C ATOM 1725 CG2 VAL A 109 -23.380 -16.225 2.999 1.00 61.50 C ATOM 0 H VAL A 109 -22.891 -17.925 4.937 1.00 71.51 H new ATOM 0 HA VAL A 109 -22.426 -15.289 6.181 1.00 63.52 H new ATOM 0 HB VAL A 109 -23.222 -14.347 3.990 1.00 5.24 H new ATOM 0 HG11 VAL A 109 -21.119 -14.740 2.774 1.00 10.33 H new ATOM 0 HG12 VAL A 109 -20.837 -14.455 4.508 1.00 10.33 H new ATOM 0 HG13 VAL A 109 -20.755 -16.108 3.852 1.00 10.33 H new ATOM 0 HG21 VAL A 109 -23.209 -15.806 2.008 1.00 61.50 H new ATOM 0 HG22 VAL A 109 -22.935 -17.218 3.054 1.00 61.50 H new ATOM 0 HG23 VAL A 109 -24.452 -16.297 3.183 1.00 61.50 H new ATOM 1735 N PRO A 110 -24.899 -14.730 6.381 1.00 12.51 N ATOM 1736 CA PRO A 110 -26.303 -14.530 6.754 1.00 61.42 C ATOM 1737 C PRO A 110 -27.205 -14.348 5.538 1.00 13.10 C ATOM 1738 O PRO A 110 -27.784 -13.281 5.338 1.00 64.20 O ATOM 1739 CB PRO A 110 -26.268 -13.249 7.591 1.00 42.34 C ATOM 1740 CG PRO A 110 -25.060 -12.518 7.117 1.00 22.31 C ATOM 1741 CD PRO A 110 -24.058 -13.575 6.741 1.00 62.44 C ATOM 0 HA PRO A 110 -26.711 -15.391 7.284 1.00 61.42 H new ATOM 0 HB2 PRO A 110 -27.171 -12.657 7.446 1.00 42.34 H new ATOM 0 HB3 PRO A 110 -26.202 -13.474 8.656 1.00 42.34 H new ATOM 0 HG2 PRO A 110 -25.298 -11.884 6.263 1.00 22.31 H new ATOM 0 HG3 PRO A 110 -24.666 -11.867 7.898 1.00 22.31 H new ATOM 0 HD2 PRO A 110 -23.433 -13.257 5.906 1.00 62.44 H new ATOM 0 HD3 PRO A 110 -23.389 -13.808 7.570 1.00 62.44 H new ATOM 1749 N SER A 111 -27.320 -15.397 4.731 1.00 72.33 N ATOM 1750 CA SER A 111 -28.150 -15.353 3.533 1.00 71.23 C ATOM 1751 C SER A 111 -28.537 -16.759 3.087 1.00 61.24 C ATOM 1752 O SER A 111 -28.257 -17.164 1.960 1.00 5.02 O ATOM 1753 CB SER A 111 -27.412 -14.631 2.403 1.00 53.12 C ATOM 1754 OG SER A 111 -28.287 -14.343 1.326 1.00 4.42 O ATOM 0 H SER A 111 -26.849 -16.288 4.885 1.00 72.33 H new ATOM 0 HA SER A 111 -29.061 -14.804 3.772 1.00 71.23 H new ATOM 0 HB2 SER A 111 -26.978 -13.705 2.781 1.00 53.12 H new ATOM 0 HB3 SER A 111 -26.587 -15.249 2.050 1.00 53.12 H new ATOM 0 HG SER A 111 -28.644 -15.180 0.962 1.00 4.42 H new ATOM 1760 N GLY A 112 -29.183 -17.501 3.982 1.00 63.40 N ATOM 1761 CA GLY A 112 -29.598 -18.854 3.663 1.00 63.31 C ATOM 1762 C GLY A 112 -30.304 -19.533 4.820 1.00 42.34 C ATOM 1763 O GLY A 112 -31.515 -19.752 4.793 1.00 51.33 O ATOM 0 H GLY A 112 -29.426 -17.189 4.922 1.00 63.40 H new ATOM 0 HA2 GLY A 112 -30.262 -18.833 2.799 1.00 63.31 H new ATOM 0 HA3 GLY A 112 -28.724 -19.441 3.380 1.00 63.31 H new ATOM 1767 N PRO A 113 -29.538 -19.877 5.866 1.00 32.24 N ATOM 1768 CA PRO A 113 -30.076 -20.541 7.057 1.00 4.43 C ATOM 1769 C PRO A 113 -30.961 -19.615 7.886 1.00 34.42 C ATOM 1770 O PRO A 113 -31.996 -20.032 8.406 1.00 22.32 O ATOM 1771 CB PRO A 113 -28.822 -20.928 7.844 1.00 34.41 C ATOM 1772 CG PRO A 113 -27.783 -19.955 7.406 1.00 23.11 C ATOM 1773 CD PRO A 113 -28.086 -19.647 5.965 1.00 50.32 C ATOM 0 HA PRO A 113 -30.712 -21.388 6.800 1.00 4.43 H new ATOM 0 HB2 PRO A 113 -28.994 -20.866 8.918 1.00 34.41 H new ATOM 0 HB3 PRO A 113 -28.520 -21.953 7.628 1.00 34.41 H new ATOM 0 HG2 PRO A 113 -27.814 -19.051 8.013 1.00 23.11 H new ATOM 0 HG3 PRO A 113 -26.784 -20.376 7.513 1.00 23.11 H new ATOM 0 HD2 PRO A 113 -27.823 -18.620 5.709 1.00 50.32 H new ATOM 0 HD3 PRO A 113 -27.529 -20.296 5.289 1.00 50.32 H new ATOM 1781 N SER A 114 -30.547 -18.357 8.003 1.00 14.11 N ATOM 1782 CA SER A 114 -31.301 -17.374 8.772 1.00 1.51 C ATOM 1783 C SER A 114 -31.651 -17.916 10.155 1.00 62.42 C ATOM 1784 O SER A 114 -32.614 -17.475 10.781 1.00 22.41 O ATOM 1785 CB SER A 114 -32.578 -16.983 8.027 1.00 3.33 C ATOM 1786 OG SER A 114 -32.333 -15.927 7.113 1.00 10.03 O ATOM 0 H SER A 114 -29.695 -17.995 7.576 1.00 14.11 H new ATOM 0 HA SER A 114 -30.676 -16.490 8.896 1.00 1.51 H new ATOM 0 HB2 SER A 114 -32.970 -17.848 7.492 1.00 3.33 H new ATOM 0 HB3 SER A 114 -33.342 -16.679 8.743 1.00 3.33 H new ATOM 0 HG SER A 114 -33.165 -15.697 6.648 1.00 10.03 H new ATOM 1792 N SER A 115 -30.860 -18.877 10.624 1.00 31.04 N ATOM 1793 CA SER A 115 -31.088 -19.483 11.931 1.00 71.42 C ATOM 1794 C SER A 115 -29.875 -19.292 12.837 1.00 3.01 C ATOM 1795 O SER A 115 -28.756 -19.108 12.363 1.00 22.33 O ATOM 1796 CB SER A 115 -31.394 -20.974 11.777 1.00 71.51 C ATOM 1797 OG SER A 115 -30.518 -21.760 12.567 1.00 1.43 O ATOM 0 H SER A 115 -30.057 -19.252 10.119 1.00 31.04 H new ATOM 0 HA SER A 115 -31.944 -18.988 12.390 1.00 71.42 H new ATOM 0 HB2 SER A 115 -32.426 -21.169 12.070 1.00 71.51 H new ATOM 0 HB3 SER A 115 -31.300 -21.261 10.730 1.00 71.51 H new ATOM 0 HG SER A 115 -30.736 -22.709 12.452 1.00 1.43 H new ATOM 1803 N GLY A 116 -30.109 -19.337 14.145 1.00 41.43 N ATOM 1804 CA GLY A 116 -29.029 -19.166 15.098 1.00 31.40 C ATOM 1805 C GLY A 116 -29.206 -20.025 16.336 1.00 25.25 C ATOM 1806 O GLY A 116 -30.068 -19.751 17.170 1.00 12.12 O ATOM 0 H GLY A 116 -31.028 -19.489 14.561 1.00 41.43 H new ATOM 0 HA2 GLY A 116 -28.083 -19.416 14.619 1.00 31.40 H new ATOM 0 HA3 GLY A 116 -28.971 -18.118 15.392 1.00 31.40 H new TER 1810 GLY A 116