USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 994 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 45 MET CE :methyl 147:sc= -0.152 (180deg=-2.35!) USER MOD Set 1.2: A 90 TYR OH : rot -96:sc= 1.29 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 59 SER OG : rot 180:sc= -0.208 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.09 (180deg=0.0993) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -126:sc= 0.971 (180deg=-0.199) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.046 X(o=-0.046,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.0945 X(o=0.095,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0353) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.96) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -114:sc= 0.605 (180deg=-0.831) USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= 0.204 (180deg=-0.0654) USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0.393 (180deg=0.373) USER MOD Single : A 39 LYS NZ :NH3+ -115:sc= 0.782 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0.658 (180deg=0.658) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= -0.0229 (180deg=-0.181) USER MOD Single : A 64 HIS : no HE2:sc= 0.0752 K(o=0.091,f=-0.9) USER MOD Single : A 65 SER OG : rot 153:sc= 0.209 USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= -0.068 (180deg=-0.277) USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0168) USER MOD Single : A 75 LYS NZ :NH3+ 169:sc= -0.0205 (180deg=-0.167) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 0.269 (180deg=0.252) USER MOD Single : A 82 ASN : amide:sc= 0.49 X(o=0.49,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.426 K(o=0.43,f=-3.9!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.961 K(o=-0.96,f=-4.6!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 115 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.12) USER MOD Single : A 116 HIS : no HD1:sc= -0.421 X(o=-0.42,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc=-0.00343 X(o=-0.0034,f=-0.27) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.465 -1.541 2.186 1.00 60.44 N ATOM 2 CA MET A 1 20.834 -2.526 1.142 1.00 41.14 C ATOM 3 C MET A 1 19.608 -2.913 0.303 1.00 34.33 C ATOM 4 O MET A 1 18.465 -2.834 0.773 1.00 54.25 O ATOM 5 CB MET A 1 21.462 -3.805 1.770 1.00 53.31 C ATOM 6 CG MET A 1 22.671 -3.549 2.682 1.00 25.31 C ATOM 7 SD MET A 1 22.237 -2.700 4.222 1.00 70.33 S ATOM 8 CE MET A 1 23.843 -2.508 5.007 1.00 13.11 C ATOM 0 H1 MET A 1 21.176 -1.556 2.944 1.00 60.44 H new ATOM 0 H2 MET A 1 20.425 -0.590 1.767 1.00 60.44 H new ATOM 0 H3 MET A 1 19.534 -1.785 2.580 1.00 60.44 H new ATOM 0 HA MET A 1 21.575 -2.056 0.496 1.00 41.14 H new ATOM 0 HB2 MET A 1 20.695 -4.324 2.345 1.00 53.31 H new ATOM 0 HB3 MET A 1 21.767 -4.475 0.966 1.00 53.31 H new ATOM 0 HG2 MET A 1 23.146 -4.501 2.921 1.00 25.31 H new ATOM 0 HG3 MET A 1 23.406 -2.953 2.141 1.00 25.31 H new ATOM 0 HE1 MET A 1 23.722 -2.000 5.964 1.00 13.11 H new ATOM 0 HE2 MET A 1 24.288 -3.490 5.171 1.00 13.11 H new ATOM 0 HE3 MET A 1 24.495 -1.918 4.363 1.00 13.11 H new ATOM 20 N SER A 2 19.869 -3.329 -0.950 1.00 2.40 N ATOM 21 CA SER A 2 18.861 -3.937 -1.841 1.00 32.32 C ATOM 22 C SER A 2 18.580 -5.396 -1.400 1.00 14.03 C ATOM 23 O SER A 2 19.349 -5.967 -0.609 1.00 2.54 O ATOM 24 CB SER A 2 19.375 -3.887 -3.300 1.00 31.22 C ATOM 25 OG SER A 2 19.737 -2.560 -3.671 1.00 70.14 O ATOM 0 H SER A 2 20.792 -3.252 -1.377 1.00 2.40 H new ATOM 0 HA SER A 2 17.926 -3.379 -1.780 1.00 32.32 H new ATOM 0 HB2 SER A 2 20.236 -4.546 -3.408 1.00 31.22 H new ATOM 0 HB3 SER A 2 18.603 -4.259 -3.974 1.00 31.22 H new ATOM 0 HG SER A 2 20.060 -2.556 -4.596 1.00 70.14 H new ATOM 31 N GLY A 3 17.495 -5.999 -1.921 1.00 51.11 N ATOM 32 CA GLY A 3 17.062 -7.326 -1.467 1.00 0.23 C ATOM 33 C GLY A 3 16.513 -7.259 -0.055 1.00 0.25 C ATOM 34 O GLY A 3 16.978 -7.967 0.846 1.00 53.45 O ATOM 0 H GLY A 3 16.910 -5.590 -2.649 1.00 51.11 H new ATOM 0 HA2 GLY A 3 16.299 -7.715 -2.141 1.00 0.23 H new ATOM 0 HA3 GLY A 3 17.902 -8.020 -1.503 1.00 0.23 H new ATOM 38 N LYS A 4 15.528 -6.367 0.139 1.00 24.13 N ATOM 39 CA LYS A 4 14.990 -6.026 1.463 1.00 61.21 C ATOM 40 C LYS A 4 13.605 -6.660 1.663 1.00 43.42 C ATOM 41 O LYS A 4 12.773 -6.667 0.743 1.00 12.23 O ATOM 42 CB LYS A 4 14.912 -4.474 1.622 1.00 74.32 C ATOM 43 CG LYS A 4 14.524 -3.980 3.042 1.00 13.34 C ATOM 44 CD LYS A 4 15.517 -4.468 4.123 1.00 43.04 C ATOM 45 CE LYS A 4 15.197 -3.949 5.530 1.00 23.05 C ATOM 46 NZ LYS A 4 13.905 -4.466 6.042 1.00 34.41 N ATOM 0 H LYS A 4 15.081 -5.860 -0.625 1.00 24.13 H new ATOM 0 HA LYS A 4 15.658 -6.424 2.227 1.00 61.21 H new ATOM 0 HB2 LYS A 4 15.879 -4.047 1.357 1.00 74.32 H new ATOM 0 HB3 LYS A 4 14.186 -4.086 0.907 1.00 74.32 H new ATOM 0 HG2 LYS A 4 14.489 -2.891 3.049 1.00 13.34 H new ATOM 0 HG3 LYS A 4 13.522 -4.333 3.286 1.00 13.34 H new ATOM 0 HD2 LYS A 4 15.518 -5.558 4.138 1.00 43.04 H new ATOM 0 HD3 LYS A 4 16.524 -4.152 3.849 1.00 43.04 H new ATOM 0 HE2 LYS A 4 15.997 -4.238 6.212 1.00 23.05 H new ATOM 0 HE3 LYS A 4 15.169 -2.859 5.515 1.00 23.05 H new ATOM 0 HZ1 LYS A 4 13.304 -3.670 6.336 1.00 34.41 H new ATOM 0 HZ2 LYS A 4 13.425 -5.003 5.292 1.00 34.41 H new ATOM 0 HZ3 LYS A 4 14.079 -5.088 6.857 1.00 34.41 H new ATOM 60 N LYS A 5 13.381 -7.213 2.869 1.00 1.12 N ATOM 61 CA LYS A 5 12.064 -7.658 3.316 1.00 32.53 C ATOM 62 C LYS A 5 11.331 -6.460 3.937 1.00 4.34 C ATOM 63 O LYS A 5 11.825 -5.830 4.880 1.00 14.45 O ATOM 64 CB LYS A 5 12.191 -8.808 4.343 1.00 11.32 C ATOM 65 CG LYS A 5 10.840 -9.348 4.880 1.00 43.41 C ATOM 66 CD LYS A 5 11.012 -10.419 5.984 1.00 24.00 C ATOM 67 CE LYS A 5 11.685 -9.862 7.248 1.00 2.14 C ATOM 68 NZ LYS A 5 12.013 -10.936 8.228 1.00 22.05 N ATOM 0 H LYS A 5 14.118 -7.361 3.559 1.00 1.12 H new ATOM 0 HA LYS A 5 11.499 -8.039 2.466 1.00 32.53 H new ATOM 0 HB2 LYS A 5 12.738 -9.630 3.882 1.00 11.32 H new ATOM 0 HB3 LYS A 5 12.789 -8.460 5.186 1.00 11.32 H new ATOM 0 HG2 LYS A 5 10.255 -8.518 5.275 1.00 43.41 H new ATOM 0 HG3 LYS A 5 10.271 -9.774 4.054 1.00 43.41 H new ATOM 0 HD2 LYS A 5 10.035 -10.825 6.246 1.00 24.00 H new ATOM 0 HD3 LYS A 5 11.607 -11.245 5.594 1.00 24.00 H new ATOM 0 HE2 LYS A 5 12.597 -9.335 6.970 1.00 2.14 H new ATOM 0 HE3 LYS A 5 11.026 -9.132 7.718 1.00 2.14 H new ATOM 0 HZ1 LYS A 5 12.465 -10.516 9.065 1.00 22.05 H new ATOM 0 HZ2 LYS A 5 11.140 -11.423 8.514 1.00 22.05 H new ATOM 0 HZ3 LYS A 5 12.663 -11.619 7.790 1.00 22.05 H new ATOM 82 N VAL A 6 10.175 -6.152 3.377 1.00 23.42 N ATOM 83 CA VAL A 6 9.285 -5.077 3.835 1.00 24.01 C ATOM 84 C VAL A 6 8.006 -5.717 4.376 1.00 74.11 C ATOM 85 O VAL A 6 7.488 -6.665 3.780 1.00 61.42 O ATOM 86 CB VAL A 6 8.952 -4.066 2.659 1.00 31.22 C ATOM 87 CG1 VAL A 6 8.744 -4.814 1.325 1.00 13.21 C ATOM 88 CG2 VAL A 6 7.721 -3.185 2.969 1.00 41.43 C ATOM 0 H VAL A 6 9.810 -6.652 2.566 1.00 23.42 H new ATOM 0 HA VAL A 6 9.779 -4.502 4.619 1.00 24.01 H new ATOM 0 HB VAL A 6 9.815 -3.406 2.566 1.00 31.22 H new ATOM 0 HG11 VAL A 6 8.517 -4.096 0.537 1.00 13.21 H new ATOM 0 HG12 VAL A 6 9.652 -5.360 1.068 1.00 13.21 H new ATOM 0 HG13 VAL A 6 7.916 -5.515 1.426 1.00 13.21 H new ATOM 0 HG21 VAL A 6 7.536 -2.511 2.133 1.00 41.43 H new ATOM 0 HG22 VAL A 6 6.849 -3.820 3.123 1.00 41.43 H new ATOM 0 HG23 VAL A 6 7.909 -2.602 3.870 1.00 41.43 H new ATOM 98 N GLU A 7 7.503 -5.215 5.510 1.00 3.23 N ATOM 99 CA GLU A 7 6.191 -5.615 6.024 1.00 24.42 C ATOM 100 C GLU A 7 5.198 -4.478 5.740 1.00 75.31 C ATOM 101 O GLU A 7 5.313 -3.374 6.297 1.00 40.04 O ATOM 102 CB GLU A 7 6.270 -6.000 7.529 1.00 55.01 C ATOM 103 CG GLU A 7 7.083 -7.299 7.782 1.00 12.01 C ATOM 104 CD GLU A 7 6.872 -7.919 9.175 1.00 73.24 C ATOM 105 OE1 GLU A 7 5.766 -8.439 9.441 1.00 40.41 O ATOM 106 OE2 GLU A 7 7.805 -7.913 10.006 1.00 53.05 O ATOM 0 H GLU A 7 7.987 -4.529 6.089 1.00 3.23 H new ATOM 0 HA GLU A 7 5.839 -6.514 5.517 1.00 24.42 H new ATOM 0 HB2 GLU A 7 6.724 -5.180 8.085 1.00 55.01 H new ATOM 0 HB3 GLU A 7 5.260 -6.128 7.919 1.00 55.01 H new ATOM 0 HG2 GLU A 7 6.813 -8.035 7.025 1.00 12.01 H new ATOM 0 HG3 GLU A 7 8.143 -7.081 7.651 1.00 12.01 H new ATOM 113 N VAL A 8 4.249 -4.772 4.834 1.00 41.40 N ATOM 114 CA VAL A 8 3.233 -3.837 4.343 1.00 10.43 C ATOM 115 C VAL A 8 1.955 -4.056 5.159 1.00 30.21 C ATOM 116 O VAL A 8 1.260 -5.061 4.984 1.00 44.01 O ATOM 117 CB VAL A 8 2.961 -4.072 2.799 1.00 72.43 C ATOM 118 CG1 VAL A 8 1.892 -3.104 2.233 1.00 32.10 C ATOM 119 CG2 VAL A 8 4.275 -3.966 1.994 1.00 44.24 C ATOM 0 H VAL A 8 4.169 -5.698 4.413 1.00 41.40 H new ATOM 0 HA VAL A 8 3.578 -2.810 4.460 1.00 10.43 H new ATOM 0 HB VAL A 8 2.563 -5.081 2.694 1.00 72.43 H new ATOM 0 HG11 VAL A 8 1.743 -3.306 1.172 1.00 32.10 H new ATOM 0 HG12 VAL A 8 0.952 -3.248 2.766 1.00 32.10 H new ATOM 0 HG13 VAL A 8 2.228 -2.075 2.362 1.00 32.10 H new ATOM 0 HG21 VAL A 8 4.068 -4.130 0.936 1.00 44.24 H new ATOM 0 HG22 VAL A 8 4.706 -2.974 2.130 1.00 44.24 H new ATOM 0 HG23 VAL A 8 4.980 -4.719 2.347 1.00 44.24 H new ATOM 129 N GLN A 9 1.664 -3.119 6.062 1.00 34.50 N ATOM 130 CA GLN A 9 0.571 -3.246 7.028 1.00 52.51 C ATOM 131 C GLN A 9 -0.644 -2.509 6.468 1.00 33.11 C ATOM 132 O GLN A 9 -0.709 -1.286 6.535 1.00 41.33 O ATOM 133 CB GLN A 9 1.037 -2.646 8.381 1.00 25.13 C ATOM 134 CG GLN A 9 2.356 -3.255 8.902 1.00 72.33 C ATOM 135 CD GLN A 9 2.955 -2.494 10.081 1.00 1.31 C ATOM 136 OE1 GLN A 9 2.671 -2.784 11.242 1.00 21.54 O ATOM 137 NE2 GLN A 9 3.804 -1.522 9.785 1.00 31.12 N ATOM 0 H GLN A 9 2.183 -2.245 6.145 1.00 34.50 H new ATOM 0 HA GLN A 9 0.297 -4.288 7.196 1.00 52.51 H new ATOM 0 HB2 GLN A 9 1.163 -1.569 8.268 1.00 25.13 H new ATOM 0 HB3 GLN A 9 0.256 -2.799 9.126 1.00 25.13 H new ATOM 0 HG2 GLN A 9 2.177 -4.288 9.200 1.00 72.33 H new ATOM 0 HG3 GLN A 9 3.082 -3.279 8.089 1.00 72.33 H new ATOM 0 HE21 GLN A 9 4.016 -1.309 8.810 1.00 31.12 H new ATOM 0 HE22 GLN A 9 4.246 -0.986 10.532 1.00 31.12 H new ATOM 146 N VAL A 10 -1.577 -3.271 5.884 1.00 70.21 N ATOM 147 CA VAL A 10 -2.761 -2.740 5.192 1.00 42.42 C ATOM 148 C VAL A 10 -3.977 -2.807 6.122 1.00 63.33 C ATOM 149 O VAL A 10 -4.442 -3.897 6.467 1.00 63.30 O ATOM 150 CB VAL A 10 -3.034 -3.535 3.854 1.00 53.22 C ATOM 151 CG1 VAL A 10 -4.322 -3.050 3.139 1.00 3.50 C ATOM 152 CG2 VAL A 10 -1.811 -3.438 2.915 1.00 51.12 C ATOM 0 H VAL A 10 -1.531 -4.290 5.878 1.00 70.21 H new ATOM 0 HA VAL A 10 -2.576 -1.699 4.927 1.00 42.42 H new ATOM 0 HB VAL A 10 -3.193 -4.580 4.118 1.00 53.22 H new ATOM 0 HG11 VAL A 10 -4.469 -3.625 2.225 1.00 3.50 H new ATOM 0 HG12 VAL A 10 -5.179 -3.191 3.798 1.00 3.50 H new ATOM 0 HG13 VAL A 10 -4.225 -1.993 2.891 1.00 3.50 H new ATOM 0 HG21 VAL A 10 -2.012 -3.990 1.997 1.00 51.12 H new ATOM 0 HG22 VAL A 10 -1.619 -2.392 2.675 1.00 51.12 H new ATOM 0 HG23 VAL A 10 -0.938 -3.863 3.410 1.00 51.12 H new ATOM 162 N LYS A 11 -4.466 -1.634 6.537 1.00 22.22 N ATOM 163 CA LYS A 11 -5.652 -1.495 7.387 1.00 51.11 C ATOM 164 C LYS A 11 -6.700 -0.697 6.605 1.00 21.04 C ATOM 165 O LYS A 11 -6.591 0.514 6.463 1.00 31.01 O ATOM 166 CB LYS A 11 -5.254 -0.782 8.703 1.00 34.12 C ATOM 167 CG LYS A 11 -6.394 -0.603 9.727 1.00 33.53 C ATOM 168 CD LYS A 11 -5.910 0.024 11.058 1.00 14.32 C ATOM 169 CE LYS A 11 -5.233 1.398 10.873 1.00 72.14 C ATOM 170 NZ LYS A 11 -6.139 2.403 10.246 1.00 24.34 N ATOM 0 H LYS A 11 -4.042 -0.741 6.288 1.00 22.22 H new ATOM 0 HA LYS A 11 -6.071 -2.466 7.651 1.00 51.11 H new ATOM 0 HB2 LYS A 11 -4.450 -1.347 9.174 1.00 34.12 H new ATOM 0 HB3 LYS A 11 -4.851 0.201 8.457 1.00 34.12 H new ATOM 0 HG2 LYS A 11 -7.170 0.028 9.294 1.00 33.53 H new ATOM 0 HG3 LYS A 11 -6.849 -1.572 9.931 1.00 33.53 H new ATOM 0 HD2 LYS A 11 -6.761 0.133 11.731 1.00 14.32 H new ATOM 0 HD3 LYS A 11 -5.208 -0.658 11.539 1.00 14.32 H new ATOM 0 HE2 LYS A 11 -4.901 1.769 11.843 1.00 72.14 H new ATOM 0 HE3 LYS A 11 -4.343 1.280 10.255 1.00 72.14 H new ATOM 0 HZ1 LYS A 11 -5.636 3.308 10.144 1.00 24.34 H new ATOM 0 HZ2 LYS A 11 -6.437 2.065 9.309 1.00 24.34 H new ATOM 0 HZ3 LYS A 11 -6.977 2.538 10.847 1.00 24.34 H new ATOM 184 N ILE A 12 -7.708 -1.395 6.092 1.00 74.24 N ATOM 185 CA ILE A 12 -8.723 -0.816 5.198 1.00 10.01 C ATOM 186 C ILE A 12 -10.102 -0.819 5.882 1.00 44.14 C ATOM 187 O ILE A 12 -10.529 -1.834 6.432 1.00 13.12 O ATOM 188 CB ILE A 12 -8.773 -1.597 3.828 1.00 61.24 C ATOM 189 CG1 ILE A 12 -9.813 -0.967 2.849 1.00 30.32 C ATOM 190 CG2 ILE A 12 -9.051 -3.105 4.045 1.00 31.43 C ATOM 191 CD1 ILE A 12 -9.846 -1.598 1.466 1.00 20.31 C ATOM 0 H ILE A 12 -7.851 -2.387 6.282 1.00 74.24 H new ATOM 0 HA ILE A 12 -8.447 0.217 4.985 1.00 10.01 H new ATOM 0 HB ILE A 12 -7.789 -1.506 3.367 1.00 61.24 H new ATOM 0 HG12 ILE A 12 -10.805 -1.047 3.294 1.00 30.32 H new ATOM 0 HG13 ILE A 12 -9.595 0.096 2.744 1.00 30.32 H new ATOM 0 HG21 ILE A 12 -9.079 -3.612 3.081 1.00 31.43 H new ATOM 0 HG22 ILE A 12 -8.260 -3.536 4.659 1.00 31.43 H new ATOM 0 HG23 ILE A 12 -10.010 -3.229 4.548 1.00 31.43 H new ATOM 0 HD11 ILE A 12 -10.597 -1.097 0.855 1.00 20.31 H new ATOM 0 HD12 ILE A 12 -8.868 -1.495 0.996 1.00 20.31 H new ATOM 0 HD13 ILE A 12 -10.097 -2.655 1.554 1.00 20.31 H new ATOM 203 N THR A 13 -10.785 0.334 5.876 1.00 33.02 N ATOM 204 CA THR A 13 -12.158 0.442 6.382 1.00 53.05 C ATOM 205 C THR A 13 -13.144 0.365 5.204 1.00 21.44 C ATOM 206 O THR A 13 -13.109 1.205 4.297 1.00 4.04 O ATOM 207 CB THR A 13 -12.351 1.754 7.208 1.00 71.53 C ATOM 208 OG1 THR A 13 -11.417 1.763 8.308 1.00 32.25 O ATOM 209 CG2 THR A 13 -13.782 1.903 7.758 1.00 20.04 C ATOM 0 H THR A 13 -10.404 1.212 5.523 1.00 33.02 H new ATOM 0 HA THR A 13 -12.357 -0.390 7.058 1.00 53.05 H new ATOM 0 HB THR A 13 -12.171 2.593 6.536 1.00 71.53 H new ATOM 0 HG1 THR A 13 -11.533 2.585 8.829 1.00 32.25 H new ATOM 0 HG21 THR A 13 -13.860 2.832 8.324 1.00 20.04 H new ATOM 0 HG22 THR A 13 -14.490 1.922 6.930 1.00 20.04 H new ATOM 0 HG23 THR A 13 -14.010 1.060 8.411 1.00 20.04 H new ATOM 217 N CYS A 14 -13.994 -0.675 5.224 1.00 52.12 N ATOM 218 CA CYS A 14 -14.995 -0.950 4.179 1.00 1.20 C ATOM 219 C CYS A 14 -16.365 -1.169 4.838 1.00 15.42 C ATOM 220 O CYS A 14 -16.513 -2.061 5.689 1.00 51.14 O ATOM 221 CB CYS A 14 -14.568 -2.195 3.368 1.00 40.20 C ATOM 222 SG CYS A 14 -15.583 -2.628 1.900 1.00 35.13 S ATOM 0 H CYS A 14 -14.005 -1.360 5.980 1.00 52.12 H new ATOM 0 HA CYS A 14 -15.066 -0.103 3.496 1.00 1.20 H new ATOM 0 HB2 CYS A 14 -13.540 -2.046 3.036 1.00 40.20 H new ATOM 0 HB3 CYS A 14 -14.565 -3.052 4.041 1.00 40.20 H new ATOM 227 N ASN A 15 -17.330 -0.281 4.488 1.00 74.15 N ATOM 228 CA ASN A 15 -18.777 -0.401 4.828 1.00 72.13 C ATOM 229 C ASN A 15 -19.058 -0.084 6.318 1.00 74.31 C ATOM 230 O ASN A 15 -20.212 -0.099 6.751 1.00 2.53 O ATOM 231 CB ASN A 15 -19.334 -1.810 4.413 1.00 74.45 C ATOM 232 CG ASN A 15 -20.859 -1.862 4.247 1.00 51.24 C ATOM 233 OD1 ASN A 15 -21.599 -2.171 5.183 1.00 62.22 O ATOM 234 ND2 ASN A 15 -21.339 -1.568 3.048 1.00 52.44 N ATOM 0 H ASN A 15 -17.122 0.559 3.949 1.00 74.15 H new ATOM 0 HA ASN A 15 -19.312 0.352 4.250 1.00 72.13 H new ATOM 0 HB2 ASN A 15 -18.868 -2.110 3.475 1.00 74.45 H new ATOM 0 HB3 ASN A 15 -19.037 -2.541 5.165 1.00 74.45 H new ATOM 0 HD21 ASN A 15 -22.345 -1.594 2.881 1.00 52.44 H new ATOM 0 HD22 ASN A 15 -20.703 -1.316 2.292 1.00 52.44 H new ATOM 241 N GLY A 16 -17.994 0.221 7.092 1.00 71.05 N ATOM 242 CA GLY A 16 -18.110 0.506 8.529 1.00 4.21 C ATOM 243 C GLY A 16 -17.247 -0.396 9.395 1.00 5.33 C ATOM 244 O GLY A 16 -17.172 -0.193 10.611 1.00 33.51 O ATOM 0 H GLY A 16 -17.039 0.275 6.737 1.00 71.05 H new ATOM 0 HA2 GLY A 16 -17.832 1.544 8.709 1.00 4.21 H new ATOM 0 HA3 GLY A 16 -19.152 0.398 8.830 1.00 4.21 H new ATOM 248 N LYS A 17 -16.599 -1.400 8.773 1.00 54.04 N ATOM 249 CA LYS A 17 -15.712 -2.351 9.472 1.00 42.14 C ATOM 250 C LYS A 17 -14.249 -2.081 9.103 1.00 63.20 C ATOM 251 O LYS A 17 -13.959 -1.686 7.976 1.00 31.03 O ATOM 252 CB LYS A 17 -16.094 -3.812 9.119 1.00 54.23 C ATOM 253 CG LYS A 17 -17.531 -4.230 9.512 1.00 64.41 C ATOM 254 CD LYS A 17 -17.821 -4.123 11.030 1.00 22.43 C ATOM 255 CE LYS A 17 -16.895 -5.007 11.889 1.00 41.25 C ATOM 256 NZ LYS A 17 -16.931 -6.437 11.487 1.00 22.21 N ATOM 0 H LYS A 17 -16.676 -1.575 7.771 1.00 54.04 H new ATOM 0 HA LYS A 17 -15.834 -2.212 10.546 1.00 42.14 H new ATOM 0 HB2 LYS A 17 -15.973 -3.953 8.045 1.00 54.23 H new ATOM 0 HB3 LYS A 17 -15.390 -4.484 9.610 1.00 54.23 H new ATOM 0 HG2 LYS A 17 -18.242 -3.605 8.971 1.00 64.41 H new ATOM 0 HG3 LYS A 17 -17.701 -5.258 9.191 1.00 64.41 H new ATOM 0 HD2 LYS A 17 -17.713 -3.084 11.342 1.00 22.43 H new ATOM 0 HD3 LYS A 17 -18.857 -4.405 11.216 1.00 22.43 H new ATOM 0 HE2 LYS A 17 -15.872 -4.638 11.811 1.00 41.25 H new ATOM 0 HE3 LYS A 17 -17.186 -4.921 12.936 1.00 41.25 H new ATOM 0 HZ1 LYS A 17 -16.344 -6.996 12.139 1.00 22.21 H new ATOM 0 HZ2 LYS A 17 -17.911 -6.783 11.521 1.00 22.21 H new ATOM 0 HZ3 LYS A 17 -16.563 -6.535 10.519 1.00 22.21 H new ATOM 270 N THR A 18 -13.334 -2.324 10.057 1.00 43.11 N ATOM 271 CA THR A 18 -11.897 -2.056 9.897 1.00 30.31 C ATOM 272 C THR A 18 -11.109 -3.388 9.864 1.00 42.11 C ATOM 273 O THR A 18 -11.081 -4.131 10.851 1.00 72.10 O ATOM 274 CB THR A 18 -11.396 -1.139 11.062 1.00 65.40 C ATOM 275 OG1 THR A 18 -12.214 0.046 11.113 1.00 54.13 O ATOM 276 CG2 THR A 18 -9.925 -0.723 10.897 1.00 13.24 C ATOM 0 H THR A 18 -13.574 -2.715 10.968 1.00 43.11 H new ATOM 0 HA THR A 18 -11.729 -1.538 8.953 1.00 30.31 H new ATOM 0 HB THR A 18 -11.474 -1.713 11.986 1.00 65.40 H new ATOM 0 HG1 THR A 18 -11.907 0.625 11.842 1.00 54.13 H new ATOM 0 HG21 THR A 18 -9.630 -0.088 11.733 1.00 13.24 H new ATOM 0 HG22 THR A 18 -9.295 -1.613 10.878 1.00 13.24 H new ATOM 0 HG23 THR A 18 -9.805 -0.173 9.964 1.00 13.24 H new ATOM 284 N TYR A 19 -10.480 -3.672 8.715 1.00 65.21 N ATOM 285 CA TYR A 19 -9.758 -4.933 8.447 1.00 4.11 C ATOM 286 C TYR A 19 -8.248 -4.642 8.373 1.00 23.52 C ATOM 287 O TYR A 19 -7.805 -3.972 7.439 1.00 4.32 O ATOM 288 CB TYR A 19 -10.228 -5.532 7.089 1.00 51.23 C ATOM 289 CG TYR A 19 -11.741 -5.738 6.949 1.00 0.40 C ATOM 290 CD1 TYR A 19 -12.351 -6.932 7.346 1.00 34.34 C ATOM 291 CD2 TYR A 19 -12.562 -4.738 6.411 1.00 73.42 C ATOM 292 CE1 TYR A 19 -13.716 -7.120 7.208 1.00 55.14 C ATOM 293 CE2 TYR A 19 -13.926 -4.923 6.274 1.00 61.42 C ATOM 294 CZ TYR A 19 -14.500 -6.113 6.675 1.00 13.11 C ATOM 295 OH TYR A 19 -15.865 -6.298 6.541 1.00 74.24 O ATOM 0 H TYR A 19 -10.456 -3.023 7.929 1.00 65.21 H new ATOM 0 HA TYR A 19 -9.964 -5.645 9.247 1.00 4.11 H new ATOM 0 HB2 TYR A 19 -9.892 -4.876 6.286 1.00 51.23 H new ATOM 0 HB3 TYR A 19 -9.733 -6.492 6.944 1.00 51.23 H new ATOM 0 HD1 TYR A 19 -11.747 -7.722 7.768 1.00 34.34 H new ATOM 0 HD2 TYR A 19 -12.121 -3.804 6.097 1.00 73.42 H new ATOM 0 HE1 TYR A 19 -14.168 -8.051 7.516 1.00 55.14 H new ATOM 0 HE2 TYR A 19 -14.540 -4.139 5.855 1.00 61.42 H new ATOM 0 HH TYR A 19 -16.267 -5.494 6.151 1.00 74.24 H new ATOM 305 N GLU A 20 -7.455 -5.142 9.334 1.00 11.02 N ATOM 306 CA GLU A 20 -5.989 -4.908 9.356 1.00 23.10 C ATOM 307 C GLU A 20 -5.227 -6.226 9.110 1.00 13.20 C ATOM 308 O GLU A 20 -5.650 -7.277 9.590 1.00 11.32 O ATOM 309 CB GLU A 20 -5.587 -4.199 10.683 1.00 10.15 C ATOM 310 CG GLU A 20 -5.708 -5.015 12.003 1.00 23.52 C ATOM 311 CD GLU A 20 -4.477 -5.892 12.325 1.00 63.41 C ATOM 312 OE1 GLU A 20 -3.367 -5.332 12.491 1.00 10.34 O ATOM 313 OE2 GLU A 20 -4.609 -7.134 12.420 1.00 10.13 O ATOM 0 H GLU A 20 -7.797 -5.711 10.108 1.00 11.02 H new ATOM 0 HA GLU A 20 -5.707 -4.240 8.543 1.00 23.10 H new ATOM 0 HB2 GLU A 20 -4.553 -3.868 10.587 1.00 10.15 H new ATOM 0 HB3 GLU A 20 -6.200 -3.304 10.784 1.00 10.15 H new ATOM 0 HG2 GLU A 20 -5.873 -4.324 12.830 1.00 23.52 H new ATOM 0 HG3 GLU A 20 -6.589 -5.654 11.941 1.00 23.52 H new ATOM 320 N ARG A 21 -4.130 -6.161 8.331 1.00 54.01 N ATOM 321 CA ARG A 21 -3.346 -7.348 7.931 1.00 40.04 C ATOM 322 C ARG A 21 -1.950 -6.923 7.465 1.00 24.32 C ATOM 323 O ARG A 21 -1.821 -6.146 6.518 1.00 44.42 O ATOM 324 CB ARG A 21 -4.063 -8.135 6.793 1.00 4.41 C ATOM 325 CG ARG A 21 -3.299 -9.377 6.267 1.00 12.13 C ATOM 326 CD ARG A 21 -3.087 -10.452 7.338 1.00 74.42 C ATOM 327 NE ARG A 21 -2.262 -11.578 6.860 1.00 72.35 N ATOM 328 CZ ARG A 21 -2.723 -12.674 6.233 1.00 44.31 C ATOM 329 NH1 ARG A 21 -4.019 -12.823 5.971 1.00 22.54 N ATOM 330 NH2 ARG A 21 -1.874 -13.627 5.881 1.00 64.43 N ATOM 0 H ARG A 21 -3.762 -5.285 7.961 1.00 54.01 H new ATOM 0 HA ARG A 21 -3.256 -8.002 8.798 1.00 40.04 H new ATOM 0 HB2 ARG A 21 -5.040 -8.456 7.155 1.00 4.41 H new ATOM 0 HB3 ARG A 21 -4.239 -7.456 5.959 1.00 4.41 H new ATOM 0 HG2 ARG A 21 -3.851 -9.809 5.432 1.00 12.13 H new ATOM 0 HG3 ARG A 21 -2.330 -9.063 5.880 1.00 12.13 H new ATOM 0 HD2 ARG A 21 -2.611 -10.002 8.209 1.00 74.42 H new ATOM 0 HD3 ARG A 21 -4.056 -10.830 7.664 1.00 74.42 H new ATOM 0 HE ARG A 21 -1.256 -11.520 7.019 1.00 72.35 H new ATOM 0 HH11 ARG A 21 -4.682 -12.098 6.247 1.00 22.54 H new ATOM 0 HH12 ARG A 21 -4.350 -13.662 5.494 1.00 22.54 H new ATOM 0 HH21 ARG A 21 -0.880 -13.526 6.086 1.00 64.43 H new ATOM 0 HH22 ARG A 21 -2.214 -14.463 5.405 1.00 64.43 H new ATOM 344 N THR A 22 -0.922 -7.436 8.147 1.00 42.22 N ATOM 345 CA THR A 22 0.477 -7.240 7.769 1.00 61.43 C ATOM 346 C THR A 22 0.923 -8.354 6.800 1.00 74.31 C ATOM 347 O THR A 22 0.922 -9.540 7.158 1.00 24.11 O ATOM 348 CB THR A 22 1.379 -7.229 9.042 1.00 73.02 C ATOM 349 OG1 THR A 22 0.909 -6.207 9.954 1.00 5.52 O ATOM 350 CG2 THR A 22 2.857 -6.973 8.692 1.00 74.33 C ATOM 0 H THR A 22 -1.041 -8.005 8.985 1.00 42.22 H new ATOM 0 HA THR A 22 0.578 -6.279 7.264 1.00 61.43 H new ATOM 0 HB THR A 22 1.314 -8.211 9.511 1.00 73.02 H new ATOM 0 HG1 THR A 22 1.473 -6.199 10.755 1.00 5.52 H new ATOM 0 HG21 THR A 22 3.452 -6.973 9.605 1.00 74.33 H new ATOM 0 HG22 THR A 22 3.214 -7.758 8.026 1.00 74.33 H new ATOM 0 HG23 THR A 22 2.952 -6.006 8.197 1.00 74.33 H new ATOM 358 N TYR A 23 1.269 -7.955 5.567 1.00 42.13 N ATOM 359 CA TYR A 23 1.798 -8.852 4.527 1.00 65.30 C ATOM 360 C TYR A 23 3.331 -8.734 4.505 1.00 35.01 C ATOM 361 O TYR A 23 3.867 -7.629 4.577 1.00 20.45 O ATOM 362 CB TYR A 23 1.217 -8.466 3.139 1.00 63.50 C ATOM 363 CG TYR A 23 -0.321 -8.441 3.074 1.00 24.22 C ATOM 364 CD1 TYR A 23 -1.042 -7.291 3.423 1.00 24.23 C ATOM 365 CD2 TYR A 23 -1.050 -9.557 2.659 1.00 1.24 C ATOM 366 CE1 TYR A 23 -2.424 -7.256 3.349 1.00 53.25 C ATOM 367 CE2 TYR A 23 -2.436 -9.524 2.591 1.00 30.55 C ATOM 368 CZ TYR A 23 -3.118 -8.369 2.934 1.00 71.14 C ATOM 369 OH TYR A 23 -4.502 -8.329 2.857 1.00 5.04 O ATOM 0 H TYR A 23 1.188 -6.986 5.259 1.00 42.13 H new ATOM 0 HA TYR A 23 1.508 -9.879 4.748 1.00 65.30 H new ATOM 0 HB2 TYR A 23 1.596 -7.482 2.862 1.00 63.50 H new ATOM 0 HB3 TYR A 23 1.588 -9.171 2.395 1.00 63.50 H new ATOM 0 HD1 TYR A 23 -0.508 -6.413 3.757 1.00 24.23 H new ATOM 0 HD2 TYR A 23 -0.527 -10.461 2.386 1.00 1.24 H new ATOM 0 HE1 TYR A 23 -2.957 -6.356 3.617 1.00 53.25 H new ATOM 0 HE2 TYR A 23 -2.982 -10.399 2.271 1.00 30.55 H new ATOM 0 HH TYR A 23 -4.838 -9.196 2.546 1.00 5.04 H new ATOM 379 N GLN A 24 4.026 -9.873 4.399 1.00 30.43 N ATOM 380 CA GLN A 24 5.501 -9.915 4.373 1.00 51.11 C ATOM 381 C GLN A 24 5.966 -10.106 2.921 1.00 11.13 C ATOM 382 O GLN A 24 5.732 -11.162 2.319 1.00 73.12 O ATOM 383 CB GLN A 24 6.062 -11.043 5.300 1.00 73.32 C ATOM 384 CG GLN A 24 5.731 -10.882 6.810 1.00 45.21 C ATOM 385 CD GLN A 24 4.266 -11.165 7.168 1.00 43.32 C ATOM 386 OE1 GLN A 24 3.615 -12.003 6.547 1.00 40.24 O ATOM 387 NE2 GLN A 24 3.738 -10.480 8.170 1.00 13.31 N ATOM 0 H GLN A 24 3.587 -10.791 4.329 1.00 30.43 H new ATOM 0 HA GLN A 24 5.891 -8.973 4.759 1.00 51.11 H new ATOM 0 HB2 GLN A 24 5.670 -12.001 4.958 1.00 73.32 H new ATOM 0 HB3 GLN A 24 7.145 -11.082 5.184 1.00 73.32 H new ATOM 0 HG2 GLN A 24 6.369 -11.554 7.384 1.00 45.21 H new ATOM 0 HG3 GLN A 24 5.979 -9.866 7.118 1.00 45.21 H new ATOM 0 HE21 GLN A 24 4.300 -9.790 8.669 1.00 13.31 H new ATOM 0 HE22 GLN A 24 2.769 -10.642 8.444 1.00 13.31 H new ATOM 396 N LEU A 25 6.598 -9.065 2.361 1.00 64.00 N ATOM 397 CA LEU A 25 7.108 -9.055 0.974 1.00 44.13 C ATOM 398 C LEU A 25 8.642 -9.016 0.982 1.00 44.21 C ATOM 399 O LEU A 25 9.251 -8.651 1.989 1.00 0.13 O ATOM 400 CB LEU A 25 6.545 -7.835 0.184 1.00 14.45 C ATOM 401 CG LEU A 25 4.991 -7.770 0.029 1.00 24.13 C ATOM 402 CD1 LEU A 25 4.558 -6.512 -0.755 1.00 75.52 C ATOM 403 CD2 LEU A 25 4.433 -9.058 -0.627 1.00 62.33 C ATOM 0 H LEU A 25 6.774 -8.193 2.861 1.00 64.00 H new ATOM 0 HA LEU A 25 6.774 -9.966 0.477 1.00 44.13 H new ATOM 0 HB2 LEU A 25 6.878 -6.923 0.679 1.00 14.45 H new ATOM 0 HB3 LEU A 25 6.989 -7.837 -0.812 1.00 14.45 H new ATOM 0 HG LEU A 25 4.565 -7.700 1.030 1.00 24.13 H new ATOM 0 HD11 LEU A 25 3.472 -6.496 -0.846 1.00 75.52 H new ATOM 0 HD12 LEU A 25 4.891 -5.620 -0.224 1.00 75.52 H new ATOM 0 HD13 LEU A 25 5.005 -6.531 -1.749 1.00 75.52 H new ATOM 0 HD21 LEU A 25 3.350 -8.979 -0.720 1.00 62.33 H new ATOM 0 HD22 LEU A 25 4.874 -9.183 -1.616 1.00 62.33 H new ATOM 0 HD23 LEU A 25 4.682 -9.919 -0.007 1.00 62.33 H new ATOM 415 N TYR A 26 9.248 -9.393 -0.152 1.00 33.21 N ATOM 416 CA TYR A 26 10.712 -9.416 -0.331 1.00 41.34 C ATOM 417 C TYR A 26 11.031 -9.199 -1.817 1.00 42.12 C ATOM 418 O TYR A 26 10.467 -9.892 -2.668 1.00 52.35 O ATOM 419 CB TYR A 26 11.290 -10.773 0.166 1.00 4.13 C ATOM 420 CG TYR A 26 12.818 -10.911 0.030 1.00 54.41 C ATOM 421 CD1 TYR A 26 13.681 -10.369 0.984 1.00 3.01 C ATOM 422 CD2 TYR A 26 13.398 -11.586 -1.053 1.00 45.43 C ATOM 423 CE1 TYR A 26 15.050 -10.503 0.868 1.00 50.43 C ATOM 424 CE2 TYR A 26 14.768 -11.715 -1.169 1.00 30.42 C ATOM 425 CZ TYR A 26 15.589 -11.170 -0.206 1.00 3.00 C ATOM 426 OH TYR A 26 16.958 -11.304 -0.307 1.00 72.41 O ATOM 0 H TYR A 26 8.734 -9.694 -0.980 1.00 33.21 H new ATOM 0 HA TYR A 26 11.172 -8.621 0.256 1.00 41.34 H new ATOM 0 HB2 TYR A 26 11.019 -10.906 1.213 1.00 4.13 H new ATOM 0 HB3 TYR A 26 10.815 -11.580 -0.391 1.00 4.13 H new ATOM 0 HD1 TYR A 26 13.270 -9.835 1.828 1.00 3.01 H new ATOM 0 HD2 TYR A 26 12.760 -12.014 -1.812 1.00 45.43 H new ATOM 0 HE1 TYR A 26 15.699 -10.083 1.623 1.00 50.43 H new ATOM 0 HE2 TYR A 26 15.194 -12.241 -2.011 1.00 30.42 H new ATOM 0 HH TYR A 26 17.179 -11.801 -1.122 1.00 72.41 H new ATOM 436 N ALA A 27 11.932 -8.248 -2.122 1.00 64.03 N ATOM 437 CA ALA A 27 12.314 -7.932 -3.509 1.00 51.20 C ATOM 438 C ALA A 27 13.746 -7.411 -3.581 1.00 41.12 C ATOM 439 O ALA A 27 14.203 -6.710 -2.668 1.00 13.42 O ATOM 440 CB ALA A 27 11.350 -6.897 -4.099 1.00 63.13 C ATOM 0 H ALA A 27 12.411 -7.682 -1.421 1.00 64.03 H new ATOM 0 HA ALA A 27 12.256 -8.851 -4.092 1.00 51.20 H new ATOM 0 HB1 ALA A 27 11.642 -6.671 -5.125 1.00 63.13 H new ATOM 0 HB2 ALA A 27 10.336 -7.297 -4.090 1.00 63.13 H new ATOM 0 HB3 ALA A 27 11.385 -5.985 -3.502 1.00 63.13 H new ATOM 446 N VAL A 28 14.423 -7.750 -4.694 1.00 52.45 N ATOM 447 CA VAL A 28 15.782 -7.283 -5.012 1.00 23.20 C ATOM 448 C VAL A 28 15.770 -5.757 -5.242 1.00 71.31 C ATOM 449 O VAL A 28 16.533 -5.009 -4.622 1.00 63.22 O ATOM 450 CB VAL A 28 16.352 -8.007 -6.298 1.00 74.15 C ATOM 451 CG1 VAL A 28 17.809 -7.582 -6.617 1.00 11.50 C ATOM 452 CG2 VAL A 28 16.241 -9.543 -6.175 1.00 5.23 C ATOM 0 H VAL A 28 14.033 -8.366 -5.408 1.00 52.45 H new ATOM 0 HA VAL A 28 16.428 -7.525 -4.168 1.00 23.20 H new ATOM 0 HB VAL A 28 15.733 -7.687 -7.136 1.00 74.15 H new ATOM 0 HG11 VAL A 28 18.154 -8.106 -7.508 1.00 11.50 H new ATOM 0 HG12 VAL A 28 17.844 -6.507 -6.792 1.00 11.50 H new ATOM 0 HG13 VAL A 28 18.454 -7.834 -5.775 1.00 11.50 H new ATOM 0 HG21 VAL A 28 16.641 -10.010 -7.075 1.00 5.23 H new ATOM 0 HG22 VAL A 28 16.809 -9.881 -5.308 1.00 5.23 H new ATOM 0 HG23 VAL A 28 15.195 -9.824 -6.055 1.00 5.23 H new ATOM 462 N ARG A 29 14.866 -5.316 -6.134 1.00 42.30 N ATOM 463 CA ARG A 29 14.735 -3.902 -6.534 1.00 15.54 C ATOM 464 C ARG A 29 13.388 -3.339 -6.056 1.00 31.01 C ATOM 465 O ARG A 29 12.453 -4.095 -5.764 1.00 2.21 O ATOM 466 CB ARG A 29 14.848 -3.772 -8.079 1.00 14.03 C ATOM 467 CG ARG A 29 16.130 -4.393 -8.682 1.00 70.34 C ATOM 468 CD ARG A 29 16.214 -4.234 -10.212 1.00 61.33 C ATOM 469 NE ARG A 29 16.406 -2.828 -10.622 1.00 4.12 N ATOM 470 CZ ARG A 29 16.131 -2.322 -11.840 1.00 40.30 C ATOM 471 NH1 ARG A 29 15.631 -3.087 -12.803 1.00 52.10 N ATOM 472 NH2 ARG A 29 16.392 -1.050 -12.095 1.00 14.12 N ATOM 0 H ARG A 29 14.202 -5.933 -6.601 1.00 42.30 H new ATOM 0 HA ARG A 29 15.539 -3.330 -6.071 1.00 15.54 H new ATOM 0 HB2 ARG A 29 13.980 -4.247 -8.536 1.00 14.03 H new ATOM 0 HB3 ARG A 29 14.811 -2.716 -8.346 1.00 14.03 H new ATOM 0 HG2 ARG A 29 17.003 -3.926 -8.225 1.00 70.34 H new ATOM 0 HG3 ARG A 29 16.167 -5.453 -8.430 1.00 70.34 H new ATOM 0 HD2 ARG A 29 17.039 -4.836 -10.592 1.00 61.33 H new ATOM 0 HD3 ARG A 29 15.301 -4.621 -10.665 1.00 61.33 H new ATOM 0 HE ARG A 29 16.779 -2.185 -9.923 1.00 4.12 H new ATOM 0 HH11 ARG A 29 15.449 -4.075 -12.627 1.00 52.10 H new ATOM 0 HH12 ARG A 29 15.429 -2.687 -13.719 1.00 52.10 H new ATOM 0 HH21 ARG A 29 16.799 -0.458 -11.371 1.00 14.12 H new ATOM 0 HH22 ARG A 29 16.186 -0.662 -13.015 1.00 14.12 H new ATOM 486 N ASP A 30 13.299 -2.003 -5.995 1.00 64.43 N ATOM 487 CA ASP A 30 12.046 -1.283 -5.693 1.00 42.13 C ATOM 488 C ASP A 30 11.055 -1.427 -6.875 1.00 30.43 C ATOM 489 O ASP A 30 9.834 -1.419 -6.684 1.00 4.44 O ATOM 490 CB ASP A 30 12.352 0.211 -5.355 1.00 34.30 C ATOM 491 CG ASP A 30 12.918 1.067 -6.520 1.00 32.53 C ATOM 492 OD1 ASP A 30 13.624 0.533 -7.405 1.00 24.34 O ATOM 493 OD2 ASP A 30 12.685 2.293 -6.527 1.00 71.04 O ATOM 0 H ASP A 30 14.095 -1.386 -6.154 1.00 64.43 H new ATOM 0 HA ASP A 30 11.573 -1.722 -4.815 1.00 42.13 H new ATOM 0 HB2 ASP A 30 11.434 0.678 -4.999 1.00 34.30 H new ATOM 0 HB3 ASP A 30 13.064 0.238 -4.530 1.00 34.30 H new ATOM 498 N GLU A 31 11.622 -1.593 -8.090 1.00 62.33 N ATOM 499 CA GLU A 31 10.878 -1.960 -9.318 1.00 52.45 C ATOM 500 C GLU A 31 10.067 -3.258 -9.118 1.00 22.24 C ATOM 501 O GLU A 31 8.933 -3.382 -9.590 1.00 50.41 O ATOM 502 CB GLU A 31 11.885 -2.165 -10.486 1.00 25.13 C ATOM 503 CG GLU A 31 12.690 -0.913 -10.886 1.00 15.34 C ATOM 504 CD GLU A 31 11.840 0.211 -11.507 1.00 21.51 C ATOM 505 OE1 GLU A 31 11.006 -0.083 -12.396 1.00 41.13 O ATOM 506 OE2 GLU A 31 12.027 1.397 -11.146 1.00 33.41 O ATOM 0 H GLU A 31 12.623 -1.475 -8.249 1.00 62.33 H new ATOM 0 HA GLU A 31 10.183 -1.153 -9.549 1.00 52.45 H new ATOM 0 HB2 GLU A 31 12.584 -2.953 -10.207 1.00 25.13 H new ATOM 0 HB3 GLU A 31 11.337 -2.519 -11.359 1.00 25.13 H new ATOM 0 HG2 GLU A 31 13.198 -0.524 -10.004 1.00 15.34 H new ATOM 0 HG3 GLU A 31 13.463 -1.204 -11.597 1.00 15.34 H new ATOM 513 N GLU A 32 10.681 -4.212 -8.405 1.00 25.03 N ATOM 514 CA GLU A 32 10.098 -5.533 -8.142 1.00 73.01 C ATOM 515 C GLU A 32 9.030 -5.473 -7.035 1.00 24.13 C ATOM 516 O GLU A 32 8.205 -6.372 -6.935 1.00 71.33 O ATOM 517 CB GLU A 32 11.220 -6.523 -7.759 1.00 0.43 C ATOM 518 CG GLU A 32 12.320 -6.706 -8.823 1.00 51.41 C ATOM 519 CD GLU A 32 11.803 -7.289 -10.151 1.00 24.41 C ATOM 520 OE1 GLU A 32 11.657 -8.523 -10.250 1.00 54.41 O ATOM 521 OE2 GLU A 32 11.556 -6.518 -11.104 1.00 22.32 O ATOM 0 H GLU A 32 11.605 -4.086 -7.991 1.00 25.03 H new ATOM 0 HA GLU A 32 9.603 -5.877 -9.050 1.00 73.01 H new ATOM 0 HB2 GLU A 32 11.684 -6.182 -6.834 1.00 0.43 H new ATOM 0 HB3 GLU A 32 10.771 -7.494 -7.552 1.00 0.43 H new ATOM 0 HG2 GLU A 32 12.789 -5.742 -9.018 1.00 51.41 H new ATOM 0 HG3 GLU A 32 13.094 -7.362 -8.424 1.00 51.41 H new ATOM 528 N LEU A 33 9.067 -4.427 -6.193 1.00 62.13 N ATOM 529 CA LEU A 33 8.073 -4.235 -5.112 1.00 65.54 C ATOM 530 C LEU A 33 6.693 -3.843 -5.704 1.00 1.01 C ATOM 531 O LEU A 33 5.661 -4.143 -5.105 1.00 10.53 O ATOM 532 CB LEU A 33 8.569 -3.162 -4.077 1.00 70.14 C ATOM 533 CG LEU A 33 8.461 -3.547 -2.558 1.00 4.02 C ATOM 534 CD1 LEU A 33 7.008 -3.854 -2.115 1.00 61.23 C ATOM 535 CD2 LEU A 33 9.396 -4.729 -2.222 1.00 32.43 C ATOM 0 H LEU A 33 9.776 -3.695 -6.237 1.00 62.13 H new ATOM 0 HA LEU A 33 7.958 -5.180 -4.581 1.00 65.54 H new ATOM 0 HB2 LEU A 33 9.612 -2.933 -4.297 1.00 70.14 H new ATOM 0 HB3 LEU A 33 8.001 -2.246 -4.237 1.00 70.14 H new ATOM 0 HG LEU A 33 8.782 -2.672 -1.993 1.00 4.02 H new ATOM 0 HD11 LEU A 33 6.998 -4.113 -1.056 1.00 61.23 H new ATOM 0 HD12 LEU A 33 6.384 -2.975 -2.279 1.00 61.23 H new ATOM 0 HD13 LEU A 33 6.619 -4.689 -2.697 1.00 61.23 H new ATOM 0 HD21 LEU A 33 9.303 -4.977 -1.165 1.00 32.43 H new ATOM 0 HD22 LEU A 33 9.119 -5.595 -2.823 1.00 32.43 H new ATOM 0 HD23 LEU A 33 10.427 -4.451 -2.440 1.00 32.43 H new ATOM 547 N LYS A 34 6.717 -3.192 -6.887 1.00 32.04 N ATOM 548 CA LYS A 34 5.511 -2.680 -7.582 1.00 25.41 C ATOM 549 C LYS A 34 4.436 -3.771 -7.801 1.00 31.44 C ATOM 550 O LYS A 34 3.317 -3.647 -7.299 1.00 1.25 O ATOM 551 CB LYS A 34 5.910 -2.059 -8.948 1.00 54.11 C ATOM 552 CG LYS A 34 6.689 -0.731 -8.855 1.00 64.44 C ATOM 553 CD LYS A 34 7.215 -0.247 -10.225 1.00 22.12 C ATOM 554 CE LYS A 34 6.161 -0.322 -11.353 1.00 32.10 C ATOM 555 NZ LYS A 34 4.916 0.413 -11.008 1.00 31.04 N ATOM 0 H LYS A 34 7.582 -3.004 -7.393 1.00 32.04 H new ATOM 0 HA LYS A 34 5.072 -1.920 -6.936 1.00 25.41 H new ATOM 0 HB2 LYS A 34 6.516 -2.781 -9.496 1.00 54.11 H new ATOM 0 HB3 LYS A 34 5.005 -1.893 -9.533 1.00 54.11 H new ATOM 0 HG2 LYS A 34 6.042 0.035 -8.428 1.00 64.44 H new ATOM 0 HG3 LYS A 34 7.529 -0.855 -8.172 1.00 64.44 H new ATOM 0 HD2 LYS A 34 7.560 0.782 -10.129 1.00 22.12 H new ATOM 0 HD3 LYS A 34 8.080 -0.848 -10.506 1.00 22.12 H new ATOM 0 HE2 LYS A 34 6.582 0.091 -12.270 1.00 32.10 H new ATOM 0 HE3 LYS A 34 5.921 -1.366 -11.554 1.00 32.10 H new ATOM 0 HZ1 LYS A 34 4.130 -0.261 -10.914 1.00 31.04 H new ATOM 0 HZ2 LYS A 34 5.049 0.918 -10.108 1.00 31.04 H new ATOM 0 HZ3 LYS A 34 4.697 1.097 -11.760 1.00 31.04 H new ATOM 569 N GLU A 35 4.817 -4.829 -8.543 1.00 21.14 N ATOM 570 CA GLU A 35 3.948 -5.994 -8.852 1.00 14.52 C ATOM 571 C GLU A 35 3.342 -6.626 -7.573 1.00 1.32 C ATOM 572 O GLU A 35 2.195 -7.093 -7.571 1.00 50.32 O ATOM 573 CB GLU A 35 4.778 -7.057 -9.640 1.00 21.11 C ATOM 574 CG GLU A 35 6.119 -7.427 -8.953 1.00 14.13 C ATOM 575 CD GLU A 35 6.874 -8.599 -9.595 1.00 43.54 C ATOM 576 OE1 GLU A 35 7.410 -8.431 -10.716 1.00 31.34 O ATOM 577 OE2 GLU A 35 6.943 -9.692 -8.978 1.00 34.21 O ATOM 0 H GLU A 35 5.748 -4.905 -8.952 1.00 21.14 H new ATOM 0 HA GLU A 35 3.114 -5.644 -9.460 1.00 14.52 H new ATOM 0 HB2 GLU A 35 4.178 -7.960 -9.759 1.00 21.11 H new ATOM 0 HB3 GLU A 35 4.984 -6.677 -10.641 1.00 21.11 H new ATOM 0 HG2 GLU A 35 6.767 -6.550 -8.958 1.00 14.13 H new ATOM 0 HG3 GLU A 35 5.920 -7.670 -7.909 1.00 14.13 H new ATOM 584 N LYS A 36 4.123 -6.591 -6.483 1.00 11.33 N ATOM 585 CA LYS A 36 3.768 -7.228 -5.205 1.00 53.54 C ATOM 586 C LYS A 36 2.748 -6.378 -4.437 1.00 22.34 C ATOM 587 O LYS A 36 1.868 -6.921 -3.779 1.00 32.14 O ATOM 588 CB LYS A 36 5.050 -7.464 -4.365 1.00 2.33 C ATOM 589 CG LYS A 36 6.149 -8.193 -5.158 1.00 31.10 C ATOM 590 CD LYS A 36 7.410 -8.517 -4.335 1.00 45.11 C ATOM 591 CE LYS A 36 8.530 -9.119 -5.213 1.00 53.22 C ATOM 592 NZ LYS A 36 8.060 -10.237 -6.083 1.00 62.22 N ATOM 0 H LYS A 36 5.026 -6.116 -6.463 1.00 11.33 H new ATOM 0 HA LYS A 36 3.302 -8.193 -5.406 1.00 53.54 H new ATOM 0 HB2 LYS A 36 5.434 -6.505 -4.016 1.00 2.33 H new ATOM 0 HB3 LYS A 36 4.798 -8.047 -3.479 1.00 2.33 H new ATOM 0 HG2 LYS A 36 5.740 -9.122 -5.556 1.00 31.10 H new ATOM 0 HG3 LYS A 36 6.434 -7.579 -6.012 1.00 31.10 H new ATOM 0 HD2 LYS A 36 7.774 -7.609 -3.854 1.00 45.11 H new ATOM 0 HD3 LYS A 36 7.155 -9.218 -3.540 1.00 45.11 H new ATOM 0 HE2 LYS A 36 8.953 -8.334 -5.839 1.00 53.22 H new ATOM 0 HE3 LYS A 36 9.332 -9.481 -4.570 1.00 53.22 H new ATOM 0 HZ1 LYS A 36 8.841 -10.905 -6.243 1.00 62.22 H new ATOM 0 HZ2 LYS A 36 7.272 -10.731 -5.618 1.00 62.22 H new ATOM 0 HZ3 LYS A 36 7.739 -9.855 -6.996 1.00 62.22 H new ATOM 606 N LEU A 37 2.902 -5.042 -4.514 1.00 61.11 N ATOM 607 CA LEU A 37 1.928 -4.078 -3.966 1.00 12.32 C ATOM 608 C LEU A 37 0.582 -4.163 -4.709 1.00 3.21 C ATOM 609 O LEU A 37 -0.470 -4.092 -4.074 1.00 31.33 O ATOM 610 CB LEU A 37 2.489 -2.634 -4.027 1.00 72.31 C ATOM 611 CG LEU A 37 3.709 -2.341 -3.105 1.00 22.40 C ATOM 612 CD1 LEU A 37 4.314 -0.962 -3.419 1.00 40.54 C ATOM 613 CD2 LEU A 37 3.325 -2.458 -1.608 1.00 12.53 C ATOM 0 H LEU A 37 3.707 -4.600 -4.959 1.00 61.11 H new ATOM 0 HA LEU A 37 1.755 -4.339 -2.922 1.00 12.32 H new ATOM 0 HB2 LEU A 37 2.776 -2.419 -5.056 1.00 72.31 H new ATOM 0 HB3 LEU A 37 1.688 -1.942 -3.768 1.00 72.31 H new ATOM 0 HG LEU A 37 4.469 -3.095 -3.307 1.00 22.40 H new ATOM 0 HD11 LEU A 37 5.165 -0.780 -2.762 1.00 40.54 H new ATOM 0 HD12 LEU A 37 4.645 -0.938 -4.457 1.00 40.54 H new ATOM 0 HD13 LEU A 37 3.561 -0.190 -3.260 1.00 40.54 H new ATOM 0 HD21 LEU A 37 4.198 -2.248 -0.991 1.00 12.53 H new ATOM 0 HD22 LEU A 37 2.537 -1.741 -1.377 1.00 12.53 H new ATOM 0 HD23 LEU A 37 2.969 -3.467 -1.401 1.00 12.53 H new ATOM 625 N LYS A 38 0.628 -4.317 -6.055 1.00 74.45 N ATOM 626 CA LYS A 38 -0.579 -4.524 -6.890 1.00 54.42 C ATOM 627 C LYS A 38 -1.324 -5.793 -6.458 1.00 12.42 C ATOM 628 O LYS A 38 -2.548 -5.796 -6.390 1.00 64.42 O ATOM 629 CB LYS A 38 -0.206 -4.623 -8.392 1.00 2.41 C ATOM 630 CG LYS A 38 0.487 -3.368 -8.953 1.00 21.45 C ATOM 631 CD LYS A 38 0.877 -3.515 -10.437 1.00 33.34 C ATOM 632 CE LYS A 38 -0.342 -3.673 -11.363 1.00 34.44 C ATOM 633 NZ LYS A 38 0.057 -3.756 -12.793 1.00 71.44 N ATOM 0 H LYS A 38 1.497 -4.301 -6.589 1.00 74.45 H new ATOM 0 HA LYS A 38 -1.231 -3.662 -6.748 1.00 54.42 H new ATOM 0 HB2 LYS A 38 0.450 -5.482 -8.536 1.00 2.41 H new ATOM 0 HB3 LYS A 38 -1.112 -4.813 -8.968 1.00 2.41 H new ATOM 0 HG2 LYS A 38 -0.176 -2.511 -8.839 1.00 21.45 H new ATOM 0 HG3 LYS A 38 1.381 -3.159 -8.366 1.00 21.45 H new ATOM 0 HD2 LYS A 38 1.450 -2.641 -10.745 1.00 33.34 H new ATOM 0 HD3 LYS A 38 1.529 -4.381 -10.552 1.00 33.34 H new ATOM 0 HE2 LYS A 38 -0.894 -4.572 -11.087 1.00 34.44 H new ATOM 0 HE3 LYS A 38 -1.017 -2.829 -11.222 1.00 34.44 H new ATOM 0 HZ1 LYS A 38 -0.794 -3.759 -13.391 1.00 71.44 H new ATOM 0 HZ2 LYS A 38 0.648 -2.936 -13.037 1.00 71.44 H new ATOM 0 HZ3 LYS A 38 0.596 -4.631 -12.953 1.00 71.44 H new ATOM 647 N LYS A 39 -0.558 -6.860 -6.154 1.00 3.00 N ATOM 648 CA LYS A 39 -1.118 -8.122 -5.641 1.00 2.31 C ATOM 649 C LYS A 39 -1.743 -7.934 -4.243 1.00 55.21 C ATOM 650 O LYS A 39 -2.893 -8.287 -4.039 1.00 42.13 O ATOM 651 CB LYS A 39 -0.035 -9.246 -5.616 1.00 0.04 C ATOM 652 CG LYS A 39 0.315 -9.839 -7.004 1.00 52.32 C ATOM 653 CD LYS A 39 -0.888 -10.514 -7.713 1.00 11.05 C ATOM 654 CE LYS A 39 -1.489 -11.671 -6.893 1.00 43.40 C ATOM 655 NZ LYS A 39 -2.679 -12.262 -7.562 1.00 54.03 N ATOM 0 H LYS A 39 0.457 -6.870 -6.257 1.00 3.00 H new ATOM 0 HA LYS A 39 -1.912 -8.429 -6.322 1.00 2.31 H new ATOM 0 HB2 LYS A 39 0.874 -8.846 -5.167 1.00 0.04 H new ATOM 0 HB3 LYS A 39 -0.382 -10.052 -4.969 1.00 0.04 H new ATOM 0 HG2 LYS A 39 0.703 -9.045 -7.642 1.00 52.32 H new ATOM 0 HG3 LYS A 39 1.114 -10.571 -6.886 1.00 52.32 H new ATOM 0 HD2 LYS A 39 -1.660 -9.767 -7.900 1.00 11.05 H new ATOM 0 HD3 LYS A 39 -0.567 -10.891 -8.684 1.00 11.05 H new ATOM 0 HE2 LYS A 39 -0.734 -12.443 -6.746 1.00 43.40 H new ATOM 0 HE3 LYS A 39 -1.770 -11.308 -5.904 1.00 43.40 H new ATOM 0 HZ1 LYS A 39 -3.524 -12.094 -6.979 1.00 54.03 H new ATOM 0 HZ2 LYS A 39 -2.808 -11.820 -8.495 1.00 54.03 H new ATOM 0 HZ3 LYS A 39 -2.538 -13.286 -7.680 1.00 54.03 H new ATOM 669 N VAL A 40 -0.965 -7.370 -3.298 1.00 53.12 N ATOM 670 CA VAL A 40 -1.403 -7.112 -1.903 1.00 11.20 C ATOM 671 C VAL A 40 -2.714 -6.301 -1.846 1.00 34.30 C ATOM 672 O VAL A 40 -3.634 -6.660 -1.100 1.00 63.44 O ATOM 673 CB VAL A 40 -0.251 -6.400 -1.075 1.00 42.45 C ATOM 674 CG1 VAL A 40 -0.765 -5.733 0.222 1.00 1.13 C ATOM 675 CG2 VAL A 40 0.875 -7.411 -0.749 1.00 25.43 C ATOM 0 H VAL A 40 -0.005 -7.076 -3.479 1.00 53.12 H new ATOM 0 HA VAL A 40 -1.609 -8.078 -1.443 1.00 11.20 H new ATOM 0 HB VAL A 40 0.143 -5.601 -1.704 1.00 42.45 H new ATOM 0 HG11 VAL A 40 0.068 -5.263 0.744 1.00 1.13 H new ATOM 0 HG12 VAL A 40 -1.509 -4.977 -0.028 1.00 1.13 H new ATOM 0 HG13 VAL A 40 -1.217 -6.488 0.865 1.00 1.13 H new ATOM 0 HG21 VAL A 40 1.660 -6.911 -0.181 1.00 25.43 H new ATOM 0 HG22 VAL A 40 0.467 -8.232 -0.160 1.00 25.43 H new ATOM 0 HG23 VAL A 40 1.292 -7.803 -1.677 1.00 25.43 H new ATOM 685 N LEU A 41 -2.793 -5.245 -2.662 1.00 1.23 N ATOM 686 CA LEU A 41 -3.960 -4.354 -2.703 1.00 70.22 C ATOM 687 C LEU A 41 -5.160 -5.035 -3.387 1.00 35.20 C ATOM 688 O LEU A 41 -6.239 -5.072 -2.815 1.00 5.21 O ATOM 689 CB LEU A 41 -3.600 -3.018 -3.402 1.00 50.13 C ATOM 690 CG LEU A 41 -2.580 -2.116 -2.638 1.00 34.22 C ATOM 691 CD1 LEU A 41 -2.179 -0.897 -3.487 1.00 23.14 C ATOM 692 CD2 LEU A 41 -3.132 -1.682 -1.260 1.00 11.41 C ATOM 0 H LEU A 41 -2.052 -4.983 -3.312 1.00 1.23 H new ATOM 0 HA LEU A 41 -4.253 -4.133 -1.677 1.00 70.22 H new ATOM 0 HB2 LEU A 41 -3.194 -3.242 -4.388 1.00 50.13 H new ATOM 0 HB3 LEU A 41 -4.517 -2.450 -3.556 1.00 50.13 H new ATOM 0 HG LEU A 41 -1.683 -2.709 -2.458 1.00 34.22 H new ATOM 0 HD11 LEU A 41 -1.468 -0.285 -2.932 1.00 23.14 H new ATOM 0 HD12 LEU A 41 -1.719 -1.236 -4.415 1.00 23.14 H new ATOM 0 HD13 LEU A 41 -3.065 -0.306 -3.716 1.00 23.14 H new ATOM 0 HD21 LEU A 41 -2.397 -1.055 -0.755 1.00 11.41 H new ATOM 0 HD22 LEU A 41 -4.055 -1.119 -1.399 1.00 11.41 H new ATOM 0 HD23 LEU A 41 -3.333 -2.565 -0.654 1.00 11.41 H new ATOM 704 N ASN A 42 -4.953 -5.594 -4.594 1.00 62.24 N ATOM 705 CA ASN A 42 -6.046 -6.177 -5.411 1.00 21.02 C ATOM 706 C ASN A 42 -6.649 -7.448 -4.754 1.00 45.25 C ATOM 707 O ASN A 42 -7.873 -7.627 -4.760 1.00 14.23 O ATOM 708 CB ASN A 42 -5.538 -6.482 -6.853 1.00 73.22 C ATOM 709 CG ASN A 42 -6.649 -6.583 -7.904 1.00 11.41 C ATOM 710 OD1 ASN A 42 -7.648 -5.866 -7.847 1.00 63.42 O ATOM 711 ND2 ASN A 42 -6.476 -7.457 -8.877 1.00 64.01 N ATOM 0 H ASN A 42 -4.034 -5.657 -5.032 1.00 62.24 H new ATOM 0 HA ASN A 42 -6.846 -5.439 -5.469 1.00 21.02 H new ATOM 0 HB2 ASN A 42 -4.840 -5.700 -7.153 1.00 73.22 H new ATOM 0 HB3 ASN A 42 -4.981 -7.419 -6.839 1.00 73.22 H new ATOM 0 HD21 ASN A 42 -7.181 -7.552 -9.608 1.00 64.01 H new ATOM 0 HD22 ASN A 42 -5.638 -8.038 -8.898 1.00 64.01 H new ATOM 718 N GLU A 43 -5.783 -8.314 -4.168 1.00 31.41 N ATOM 719 CA GLU A 43 -6.237 -9.501 -3.397 1.00 4.25 C ATOM 720 C GLU A 43 -7.062 -9.056 -2.182 1.00 51.11 C ATOM 721 O GLU A 43 -8.102 -9.632 -1.891 1.00 3.12 O ATOM 722 CB GLU A 43 -5.047 -10.380 -2.912 1.00 21.12 C ATOM 723 CG GLU A 43 -4.262 -11.104 -4.023 1.00 42.20 C ATOM 724 CD GLU A 43 -5.109 -12.084 -4.849 1.00 11.53 C ATOM 725 OE1 GLU A 43 -5.680 -13.033 -4.265 1.00 61.32 O ATOM 726 OE2 GLU A 43 -5.203 -11.911 -6.083 1.00 54.51 O ATOM 0 H GLU A 43 -4.769 -8.213 -4.214 1.00 31.41 H new ATOM 0 HA GLU A 43 -6.849 -10.103 -4.069 1.00 4.25 H new ATOM 0 HB2 GLU A 43 -4.355 -9.749 -2.354 1.00 21.12 H new ATOM 0 HB3 GLU A 43 -5.429 -11.126 -2.216 1.00 21.12 H new ATOM 0 HG2 GLU A 43 -3.830 -10.360 -4.692 1.00 42.20 H new ATOM 0 HG3 GLU A 43 -3.432 -11.648 -3.572 1.00 42.20 H new ATOM 733 N ARG A 44 -6.573 -8.012 -1.493 1.00 62.11 N ATOM 734 CA ARG A 44 -7.264 -7.399 -0.344 1.00 71.24 C ATOM 735 C ARG A 44 -8.625 -6.811 -0.765 1.00 13.12 C ATOM 736 O ARG A 44 -9.621 -6.974 -0.052 1.00 10.24 O ATOM 737 CB ARG A 44 -6.350 -6.286 0.274 1.00 13.34 C ATOM 738 CG ARG A 44 -7.047 -5.301 1.244 1.00 2.24 C ATOM 739 CD ARG A 44 -7.618 -5.979 2.511 1.00 23.21 C ATOM 740 NE ARG A 44 -6.784 -5.755 3.701 1.00 45.42 N ATOM 741 CZ ARG A 44 -7.040 -6.273 4.910 1.00 73.23 C ATOM 742 NH1 ARG A 44 -8.086 -7.067 5.094 1.00 30.43 N ATOM 743 NH2 ARG A 44 -6.280 -5.956 5.937 1.00 1.40 N ATOM 0 H ARG A 44 -5.683 -7.567 -1.717 1.00 62.11 H new ATOM 0 HA ARG A 44 -7.456 -8.168 0.405 1.00 71.24 H new ATOM 0 HB2 ARG A 44 -5.530 -6.770 0.805 1.00 13.34 H new ATOM 0 HB3 ARG A 44 -5.908 -5.712 -0.540 1.00 13.34 H new ATOM 0 HG2 ARG A 44 -6.334 -4.533 1.543 1.00 2.24 H new ATOM 0 HG3 ARG A 44 -7.856 -4.796 0.716 1.00 2.24 H new ATOM 0 HD2 ARG A 44 -8.622 -5.599 2.700 1.00 23.21 H new ATOM 0 HD3 ARG A 44 -7.710 -7.051 2.334 1.00 23.21 H new ATOM 0 HE ARG A 44 -5.957 -5.167 3.600 1.00 45.42 H new ATOM 0 HH11 ARG A 44 -8.703 -7.288 4.312 1.00 30.43 H new ATOM 0 HH12 ARG A 44 -8.274 -7.457 6.017 1.00 30.43 H new ATOM 0 HH21 ARG A 44 -5.496 -5.316 5.813 1.00 1.40 H new ATOM 0 HH22 ARG A 44 -6.475 -6.351 6.857 1.00 1.40 H new ATOM 757 N MET A 45 -8.661 -6.145 -1.930 1.00 25.41 N ATOM 758 CA MET A 45 -9.825 -5.346 -2.354 1.00 52.01 C ATOM 759 C MET A 45 -10.791 -6.131 -3.248 1.00 32.04 C ATOM 760 O MET A 45 -11.762 -5.558 -3.749 1.00 11.30 O ATOM 761 CB MET A 45 -9.371 -4.017 -3.005 1.00 74.13 C ATOM 762 CG MET A 45 -8.582 -3.097 -2.050 1.00 74.20 C ATOM 763 SD MET A 45 -8.255 -1.478 -2.756 1.00 33.34 S ATOM 764 CE MET A 45 -9.910 -0.806 -2.872 1.00 24.22 C ATOM 0 H MET A 45 -7.892 -6.144 -2.600 1.00 25.41 H new ATOM 0 HA MET A 45 -10.392 -5.101 -1.456 1.00 52.01 H new ATOM 0 HB2 MET A 45 -8.752 -4.241 -3.874 1.00 74.13 H new ATOM 0 HB3 MET A 45 -10.249 -3.482 -3.368 1.00 74.13 H new ATOM 0 HG2 MET A 45 -9.142 -2.978 -1.123 1.00 74.20 H new ATOM 0 HG3 MET A 45 -7.636 -3.574 -1.792 1.00 74.20 H new ATOM 0 HE1 MET A 45 -9.877 0.272 -2.715 1.00 24.22 H new ATOM 0 HE2 MET A 45 -10.320 -1.017 -3.860 1.00 24.22 H new ATOM 0 HE3 MET A 45 -10.543 -1.264 -2.112 1.00 24.22 H new ATOM 774 N ASP A 46 -10.548 -7.445 -3.411 1.00 12.01 N ATOM 775 CA ASP A 46 -11.522 -8.359 -4.040 1.00 43.33 C ATOM 776 C ASP A 46 -12.681 -8.687 -3.048 1.00 43.24 C ATOM 777 O ASP A 46 -13.850 -8.568 -3.438 1.00 1.35 O ATOM 778 CB ASP A 46 -10.827 -9.639 -4.598 1.00 10.42 C ATOM 779 CG ASP A 46 -11.806 -10.600 -5.301 1.00 13.32 C ATOM 780 OD1 ASP A 46 -12.251 -10.286 -6.431 1.00 10.21 O ATOM 781 OD2 ASP A 46 -12.134 -11.669 -4.737 1.00 23.42 O ATOM 0 H ASP A 46 -9.684 -7.899 -3.115 1.00 12.01 H new ATOM 0 HA ASP A 46 -11.965 -7.856 -4.900 1.00 43.33 H new ATOM 0 HB2 ASP A 46 -10.048 -9.345 -5.301 1.00 10.42 H new ATOM 0 HB3 ASP A 46 -10.336 -10.165 -3.779 1.00 10.42 H new ATOM 786 N PRO A 47 -12.394 -9.085 -1.741 1.00 20.44 N ATOM 787 CA PRO A 47 -13.436 -9.133 -0.682 1.00 21.25 C ATOM 788 C PRO A 47 -14.224 -7.812 -0.561 1.00 72.21 C ATOM 789 O PRO A 47 -15.431 -7.823 -0.354 1.00 42.44 O ATOM 790 CB PRO A 47 -12.652 -9.408 0.626 1.00 32.32 C ATOM 791 CG PRO A 47 -11.336 -10.002 0.209 1.00 30.31 C ATOM 792 CD PRO A 47 -11.097 -9.599 -1.232 1.00 1.25 C ATOM 0 HA PRO A 47 -14.182 -9.895 -0.907 1.00 21.25 H new ATOM 0 HB2 PRO A 47 -12.502 -8.488 1.191 1.00 32.32 H new ATOM 0 HB3 PRO A 47 -13.201 -10.093 1.272 1.00 32.32 H new ATOM 0 HG2 PRO A 47 -10.531 -9.639 0.848 1.00 30.31 H new ATOM 0 HG3 PRO A 47 -11.356 -11.087 0.306 1.00 30.31 H new ATOM 0 HD2 PRO A 47 -10.323 -8.835 -1.299 1.00 1.25 H new ATOM 0 HD3 PRO A 47 -10.757 -10.450 -1.823 1.00 1.25 H new ATOM 800 N ILE A 48 -13.504 -6.687 -0.728 1.00 34.45 N ATOM 801 CA ILE A 48 -14.028 -5.323 -0.508 1.00 14.44 C ATOM 802 C ILE A 48 -15.128 -4.957 -1.552 1.00 74.14 C ATOM 803 O ILE A 48 -16.077 -4.222 -1.230 1.00 62.12 O ATOM 804 CB ILE A 48 -12.823 -4.300 -0.508 1.00 43.14 C ATOM 805 CG1 ILE A 48 -11.763 -4.690 0.592 1.00 71.14 C ATOM 806 CG2 ILE A 48 -13.264 -2.833 -0.357 1.00 55.40 C ATOM 807 CD1 ILE A 48 -12.248 -4.711 2.033 1.00 42.32 C ATOM 0 H ILE A 48 -12.528 -6.699 -1.024 1.00 34.45 H new ATOM 0 HA ILE A 48 -14.518 -5.274 0.465 1.00 14.44 H new ATOM 0 HB ILE A 48 -12.358 -4.372 -1.491 1.00 43.14 H new ATOM 0 HG12 ILE A 48 -11.371 -5.678 0.351 1.00 71.14 H new ATOM 0 HG13 ILE A 48 -10.930 -3.991 0.524 1.00 71.14 H new ATOM 0 HG21 ILE A 48 -12.386 -2.187 -0.365 1.00 55.40 H new ATOM 0 HG22 ILE A 48 -13.921 -2.564 -1.184 1.00 55.40 H new ATOM 0 HG23 ILE A 48 -13.798 -2.709 0.585 1.00 55.40 H new ATOM 0 HD11 ILE A 48 -11.425 -4.994 2.690 1.00 42.32 H new ATOM 0 HD12 ILE A 48 -12.610 -3.721 2.310 1.00 42.32 H new ATOM 0 HD13 ILE A 48 -13.057 -5.434 2.134 1.00 42.32 H new ATOM 819 N LYS A 49 -15.023 -5.525 -2.778 1.00 45.23 N ATOM 820 CA LYS A 49 -16.058 -5.382 -3.839 1.00 62.44 C ATOM 821 C LYS A 49 -17.356 -6.101 -3.417 1.00 53.34 C ATOM 822 O LYS A 49 -18.459 -5.565 -3.559 1.00 34.54 O ATOM 823 CB LYS A 49 -15.557 -5.991 -5.174 1.00 23.21 C ATOM 824 CG LYS A 49 -14.300 -5.326 -5.770 1.00 43.21 C ATOM 825 CD LYS A 49 -13.755 -6.120 -6.979 1.00 4.24 C ATOM 826 CE LYS A 49 -12.481 -5.523 -7.571 1.00 25.05 C ATOM 827 NZ LYS A 49 -11.955 -6.351 -8.691 1.00 60.32 N ATOM 0 H LYS A 49 -14.224 -6.093 -3.061 1.00 45.23 H new ATOM 0 HA LYS A 49 -16.255 -4.319 -3.978 1.00 62.44 H new ATOM 0 HB2 LYS A 49 -15.348 -7.049 -5.016 1.00 23.21 H new ATOM 0 HB3 LYS A 49 -16.362 -5.931 -5.907 1.00 23.21 H new ATOM 0 HG2 LYS A 49 -14.538 -4.308 -6.080 1.00 43.21 H new ATOM 0 HG3 LYS A 49 -13.528 -5.253 -5.004 1.00 43.21 H new ATOM 0 HD2 LYS A 49 -13.557 -7.147 -6.671 1.00 4.24 H new ATOM 0 HD3 LYS A 49 -14.522 -6.161 -7.753 1.00 4.24 H new ATOM 0 HE2 LYS A 49 -12.684 -4.514 -7.929 1.00 25.05 H new ATOM 0 HE3 LYS A 49 -11.722 -5.439 -6.793 1.00 25.05 H new ATOM 0 HZ1 LYS A 49 -11.090 -5.915 -9.068 1.00 60.32 H new ATOM 0 HZ2 LYS A 49 -11.738 -7.307 -8.344 1.00 60.32 H new ATOM 0 HZ3 LYS A 49 -12.670 -6.410 -9.444 1.00 60.32 H new ATOM 841 N LYS A 50 -17.175 -7.330 -2.898 1.00 1.25 N ATOM 842 CA LYS A 50 -18.258 -8.171 -2.352 1.00 52.40 C ATOM 843 C LYS A 50 -18.941 -7.488 -1.141 1.00 31.40 C ATOM 844 O LYS A 50 -20.153 -7.636 -0.943 1.00 31.24 O ATOM 845 CB LYS A 50 -17.664 -9.577 -1.998 1.00 65.14 C ATOM 846 CG LYS A 50 -18.592 -10.573 -1.230 1.00 33.42 C ATOM 847 CD LYS A 50 -18.477 -10.492 0.313 1.00 41.52 C ATOM 848 CE LYS A 50 -17.051 -10.780 0.825 1.00 54.31 C ATOM 849 NZ LYS A 50 -16.537 -12.105 0.396 1.00 13.11 N ATOM 0 H LYS A 50 -16.258 -7.774 -2.845 1.00 1.25 H new ATOM 0 HA LYS A 50 -19.043 -8.303 -3.097 1.00 52.40 H new ATOM 0 HB2 LYS A 50 -17.351 -10.055 -2.926 1.00 65.14 H new ATOM 0 HB3 LYS A 50 -16.766 -9.423 -1.400 1.00 65.14 H new ATOM 0 HG2 LYS A 50 -19.626 -10.382 -1.516 1.00 33.42 H new ATOM 0 HG3 LYS A 50 -18.356 -11.589 -1.547 1.00 33.42 H new ATOM 0 HD2 LYS A 50 -18.782 -9.499 0.643 1.00 41.52 H new ATOM 0 HD3 LYS A 50 -19.169 -11.204 0.762 1.00 41.52 H new ATOM 0 HE2 LYS A 50 -16.378 -10.002 0.466 1.00 54.31 H new ATOM 0 HE3 LYS A 50 -17.045 -10.729 1.914 1.00 54.31 H new ATOM 0 HZ1 LYS A 50 -15.576 -12.242 0.770 1.00 13.11 H new ATOM 0 HZ2 LYS A 50 -17.160 -12.854 0.760 1.00 13.11 H new ATOM 0 HZ3 LYS A 50 -16.514 -12.149 -0.643 1.00 13.11 H new ATOM 863 N LEU A 51 -18.148 -6.750 -0.339 1.00 12.33 N ATOM 864 CA LEU A 51 -18.658 -5.977 0.816 1.00 75.05 C ATOM 865 C LEU A 51 -19.441 -4.740 0.343 1.00 60.04 C ATOM 866 O LEU A 51 -20.358 -4.283 1.039 1.00 24.05 O ATOM 867 CB LEU A 51 -17.487 -5.561 1.743 1.00 50.30 C ATOM 868 CG LEU A 51 -16.651 -6.735 2.342 1.00 1.41 C ATOM 869 CD1 LEU A 51 -15.442 -6.221 3.137 1.00 33.42 C ATOM 870 CD2 LEU A 51 -17.523 -7.679 3.191 1.00 43.24 C ATOM 0 H LEU A 51 -17.140 -6.672 -0.471 1.00 12.33 H new ATOM 0 HA LEU A 51 -19.340 -6.612 1.381 1.00 75.05 H new ATOM 0 HB2 LEU A 51 -16.816 -4.911 1.182 1.00 50.30 H new ATOM 0 HB3 LEU A 51 -17.890 -4.970 2.565 1.00 50.30 H new ATOM 0 HG LEU A 51 -16.266 -7.315 1.503 1.00 1.41 H new ATOM 0 HD11 LEU A 51 -14.884 -7.067 3.539 1.00 33.42 H new ATOM 0 HD12 LEU A 51 -14.795 -5.639 2.480 1.00 33.42 H new ATOM 0 HD13 LEU A 51 -15.787 -5.592 3.957 1.00 33.42 H new ATOM 0 HD21 LEU A 51 -16.906 -8.483 3.591 1.00 43.24 H new ATOM 0 HD22 LEU A 51 -17.969 -7.121 4.014 1.00 43.24 H new ATOM 0 HD23 LEU A 51 -18.312 -8.102 2.570 1.00 43.24 H new ATOM 882 N GLY A 52 -19.059 -4.215 -0.844 1.00 2.44 N ATOM 883 CA GLY A 52 -19.774 -3.121 -1.493 1.00 43.12 C ATOM 884 C GLY A 52 -19.627 -1.811 -0.737 1.00 25.12 C ATOM 885 O GLY A 52 -20.498 -1.447 0.069 1.00 43.14 O ATOM 0 H GLY A 52 -18.248 -4.545 -1.367 1.00 2.44 H new ATOM 0 HA2 GLY A 52 -19.399 -2.996 -2.509 1.00 43.12 H new ATOM 0 HA3 GLY A 52 -20.831 -3.376 -1.572 1.00 43.12 H new ATOM 889 N CYS A 53 -18.519 -1.106 -0.980 1.00 2.04 N ATOM 890 CA CYS A 53 -18.164 0.115 -0.246 1.00 44.31 C ATOM 891 C CYS A 53 -17.955 1.289 -1.214 1.00 0.34 C ATOM 892 O CYS A 53 -17.327 1.127 -2.261 1.00 2.23 O ATOM 893 CB CYS A 53 -16.910 -0.175 0.596 1.00 30.12 C ATOM 894 SG CYS A 53 -17.209 -1.418 1.888 1.00 5.32 S ATOM 0 H CYS A 53 -17.839 -1.366 -1.694 1.00 2.04 H new ATOM 0 HA CYS A 53 -18.975 0.408 0.420 1.00 44.31 H new ATOM 0 HB2 CYS A 53 -16.110 -0.521 -0.058 1.00 30.12 H new ATOM 0 HB3 CYS A 53 -16.566 0.750 1.059 1.00 30.12 H new ATOM 899 N LYS A 54 -18.534 2.456 -0.868 1.00 5.11 N ATOM 900 CA LYS A 54 -18.387 3.698 -1.643 1.00 10.23 C ATOM 901 C LYS A 54 -16.920 4.149 -1.646 1.00 55.44 C ATOM 902 O LYS A 54 -16.257 4.132 -2.678 1.00 72.11 O ATOM 903 CB LYS A 54 -19.288 4.824 -1.050 1.00 1.43 C ATOM 904 CG LYS A 54 -20.803 4.600 -1.186 1.00 13.24 C ATOM 905 CD LYS A 54 -21.283 4.653 -2.652 1.00 65.54 C ATOM 906 CE LYS A 54 -22.814 4.605 -2.768 1.00 43.20 C ATOM 907 NZ LYS A 54 -23.266 4.780 -4.178 1.00 40.34 N ATOM 0 H LYS A 54 -19.119 2.561 -0.039 1.00 5.11 H new ATOM 0 HA LYS A 54 -18.702 3.503 -2.668 1.00 10.23 H new ATOM 0 HB2 LYS A 54 -19.049 4.938 0.007 1.00 1.43 H new ATOM 0 HB3 LYS A 54 -19.032 5.765 -1.538 1.00 1.43 H new ATOM 0 HG2 LYS A 54 -21.063 3.632 -0.757 1.00 13.24 H new ATOM 0 HG3 LYS A 54 -21.332 5.357 -0.607 1.00 13.24 H new ATOM 0 HD2 LYS A 54 -20.914 5.566 -3.120 1.00 65.54 H new ATOM 0 HD3 LYS A 54 -20.853 3.817 -3.203 1.00 65.54 H new ATOM 0 HE2 LYS A 54 -23.178 3.652 -2.385 1.00 43.20 H new ATOM 0 HE3 LYS A 54 -23.251 5.386 -2.146 1.00 43.20 H new ATOM 0 HZ1 LYS A 54 -24.305 4.742 -4.217 1.00 40.34 H new ATOM 0 HZ2 LYS A 54 -22.940 5.700 -4.535 1.00 40.34 H new ATOM 0 HZ3 LYS A 54 -22.869 4.020 -4.767 1.00 40.34 H new ATOM 921 N ARG A 55 -16.429 4.510 -0.458 1.00 14.21 N ATOM 922 CA ARG A 55 -15.078 5.051 -0.257 1.00 70.52 C ATOM 923 C ARG A 55 -14.388 4.242 0.840 1.00 31.25 C ATOM 924 O ARG A 55 -14.943 4.075 1.937 1.00 21.32 O ATOM 925 CB ARG A 55 -15.182 6.550 0.142 1.00 52.04 C ATOM 926 CG ARG A 55 -13.840 7.280 0.430 1.00 13.20 C ATOM 927 CD ARG A 55 -14.064 8.755 0.831 1.00 14.22 C ATOM 928 NE ARG A 55 -12.810 9.482 1.094 1.00 40.52 N ATOM 929 CZ ARG A 55 -12.573 10.754 0.736 1.00 34.14 C ATOM 930 NH1 ARG A 55 -13.485 11.457 0.069 1.00 11.22 N ATOM 931 NH2 ARG A 55 -11.436 11.329 1.086 1.00 5.25 N ATOM 0 H ARG A 55 -16.965 4.434 0.406 1.00 14.21 H new ATOM 0 HA ARG A 55 -14.493 4.978 -1.174 1.00 70.52 H new ATOM 0 HB2 ARG A 55 -15.696 7.082 -0.658 1.00 52.04 H new ATOM 0 HB3 ARG A 55 -15.810 6.625 1.030 1.00 52.04 H new ATOM 0 HG2 ARG A 55 -13.309 6.763 1.229 1.00 13.20 H new ATOM 0 HG3 ARG A 55 -13.205 7.236 -0.455 1.00 13.20 H new ATOM 0 HD2 ARG A 55 -14.610 9.262 0.036 1.00 14.22 H new ATOM 0 HD3 ARG A 55 -14.691 8.791 1.722 1.00 14.22 H new ATOM 0 HE ARG A 55 -12.068 8.983 1.584 1.00 40.52 H new ATOM 0 HH11 ARG A 55 -14.378 11.030 -0.177 1.00 11.22 H new ATOM 0 HH12 ARG A 55 -13.291 12.423 -0.196 1.00 11.22 H new ATOM 0 HH21 ARG A 55 -10.745 10.807 1.625 1.00 5.25 H new ATOM 0 HH22 ARG A 55 -11.249 12.295 0.817 1.00 5.25 H new ATOM 945 N VAL A 56 -13.190 3.728 0.543 1.00 42.23 N ATOM 946 CA VAL A 56 -12.394 2.942 1.496 1.00 3.42 C ATOM 947 C VAL A 56 -11.093 3.684 1.816 1.00 20.42 C ATOM 948 O VAL A 56 -10.486 4.299 0.934 1.00 2.41 O ATOM 949 CB VAL A 56 -12.083 1.496 0.954 1.00 22.22 C ATOM 950 CG1 VAL A 56 -13.382 0.710 0.706 1.00 14.41 C ATOM 951 CG2 VAL A 56 -11.196 1.519 -0.315 1.00 11.22 C ATOM 0 H VAL A 56 -12.743 3.845 -0.366 1.00 42.23 H new ATOM 0 HA VAL A 56 -12.981 2.824 2.407 1.00 3.42 H new ATOM 0 HB VAL A 56 -11.513 0.983 1.728 1.00 22.22 H new ATOM 0 HG11 VAL A 56 -13.140 -0.285 0.332 1.00 14.41 H new ATOM 0 HG12 VAL A 56 -13.938 0.621 1.640 1.00 14.41 H new ATOM 0 HG13 VAL A 56 -13.991 1.236 -0.030 1.00 14.41 H new ATOM 0 HG21 VAL A 56 -11.011 0.498 -0.648 1.00 11.22 H new ATOM 0 HG22 VAL A 56 -11.705 2.072 -1.105 1.00 11.22 H new ATOM 0 HG23 VAL A 56 -10.247 2.004 -0.087 1.00 11.22 H new ATOM 961 N ARG A 57 -10.687 3.637 3.087 1.00 52.31 N ATOM 962 CA ARG A 57 -9.439 4.245 3.554 1.00 42.51 C ATOM 963 C ARG A 57 -8.428 3.130 3.818 1.00 72.02 C ATOM 964 O ARG A 57 -8.568 2.374 4.786 1.00 1.21 O ATOM 965 CB ARG A 57 -9.697 5.100 4.826 1.00 53.55 C ATOM 966 CG ARG A 57 -8.424 5.727 5.448 1.00 23.51 C ATOM 967 CD ARG A 57 -8.730 6.740 6.569 1.00 30.21 C ATOM 968 NE ARG A 57 -9.396 7.953 6.053 1.00 53.41 N ATOM 969 CZ ARG A 57 -9.350 9.176 6.615 1.00 23.40 C ATOM 970 NH1 ARG A 57 -8.670 9.398 7.741 1.00 62.21 N ATOM 971 NH2 ARG A 57 -9.964 10.186 6.019 1.00 64.32 N ATOM 0 H ARG A 57 -11.218 3.174 3.825 1.00 52.31 H new ATOM 0 HA ARG A 57 -9.037 4.916 2.795 1.00 42.51 H new ATOM 0 HB2 ARG A 57 -10.395 5.899 4.576 1.00 53.55 H new ATOM 0 HB3 ARG A 57 -10.183 4.475 5.576 1.00 53.55 H new ATOM 0 HG2 ARG A 57 -7.794 4.932 5.848 1.00 23.51 H new ATOM 0 HG3 ARG A 57 -7.852 6.224 4.665 1.00 23.51 H new ATOM 0 HD2 ARG A 57 -9.365 6.269 7.319 1.00 30.21 H new ATOM 0 HD3 ARG A 57 -7.802 7.020 7.067 1.00 30.21 H new ATOM 0 HE ARG A 57 -9.939 7.856 5.195 1.00 53.41 H new ATOM 0 HH11 ARG A 57 -8.171 8.633 8.195 1.00 62.21 H new ATOM 0 HH12 ARG A 57 -8.649 10.333 8.148 1.00 62.21 H new ATOM 0 HH21 ARG A 57 -10.465 10.033 5.144 1.00 64.32 H new ATOM 0 HH22 ARG A 57 -9.936 11.117 6.435 1.00 64.32 H new ATOM 985 N ILE A 58 -7.435 3.020 2.927 1.00 42.44 N ATOM 986 CA ILE A 58 -6.361 2.024 3.007 1.00 23.31 C ATOM 987 C ILE A 58 -5.168 2.669 3.732 1.00 34.01 C ATOM 988 O ILE A 58 -4.576 3.630 3.231 1.00 51.52 O ATOM 989 CB ILE A 58 -5.914 1.530 1.577 1.00 60.55 C ATOM 990 CG1 ILE A 58 -7.147 1.055 0.750 1.00 43.24 C ATOM 991 CG2 ILE A 58 -4.849 0.406 1.682 1.00 22.03 C ATOM 992 CD1 ILE A 58 -6.833 0.637 -0.672 1.00 11.25 C ATOM 0 H ILE A 58 -7.355 3.633 2.115 1.00 42.44 H new ATOM 0 HA ILE A 58 -6.724 1.152 3.551 1.00 23.31 H new ATOM 0 HB ILE A 58 -5.458 2.371 1.056 1.00 60.55 H new ATOM 0 HG12 ILE A 58 -7.612 0.215 1.267 1.00 43.24 H new ATOM 0 HG13 ILE A 58 -7.882 1.860 0.724 1.00 43.24 H new ATOM 0 HG21 ILE A 58 -4.559 0.085 0.682 1.00 22.03 H new ATOM 0 HG22 ILE A 58 -3.973 0.783 2.210 1.00 22.03 H new ATOM 0 HG23 ILE A 58 -5.266 -0.440 2.228 1.00 22.03 H new ATOM 0 HD11 ILE A 58 -7.750 0.322 -1.170 1.00 11.25 H new ATOM 0 HD12 ILE A 58 -6.398 1.479 -1.211 1.00 11.25 H new ATOM 0 HD13 ILE A 58 -6.124 -0.191 -0.660 1.00 11.25 H new ATOM 1004 N SER A 59 -4.852 2.159 4.916 1.00 1.42 N ATOM 1005 CA SER A 59 -3.780 2.671 5.763 1.00 14.32 C ATOM 1006 C SER A 59 -2.577 1.727 5.637 1.00 43.34 C ATOM 1007 O SER A 59 -2.589 0.637 6.208 1.00 62.11 O ATOM 1008 CB SER A 59 -4.313 2.747 7.218 1.00 3.14 C ATOM 1009 OG SER A 59 -3.326 3.148 8.147 1.00 10.54 O ATOM 0 H SER A 59 -5.343 1.363 5.323 1.00 1.42 H new ATOM 0 HA SER A 59 -3.460 3.669 5.464 1.00 14.32 H new ATOM 0 HB2 SER A 59 -5.147 3.447 7.257 1.00 3.14 H new ATOM 0 HB3 SER A 59 -4.702 1.771 7.508 1.00 3.14 H new ATOM 0 HG SER A 59 -3.716 3.180 9.045 1.00 10.54 H new ATOM 1015 N ILE A 60 -1.565 2.137 4.852 1.00 55.40 N ATOM 1016 CA ILE A 60 -0.361 1.326 4.589 1.00 71.14 C ATOM 1017 C ILE A 60 0.818 1.885 5.389 1.00 0.11 C ATOM 1018 O ILE A 60 1.235 3.027 5.175 1.00 73.15 O ATOM 1019 CB ILE A 60 0.005 1.303 3.052 1.00 65.13 C ATOM 1020 CG1 ILE A 60 -1.161 0.691 2.217 1.00 0.02 C ATOM 1021 CG2 ILE A 60 1.340 0.546 2.792 1.00 14.42 C ATOM 1022 CD1 ILE A 60 -0.943 0.719 0.713 1.00 14.35 C ATOM 0 H ILE A 60 -1.558 3.042 4.381 1.00 55.40 H new ATOM 0 HA ILE A 60 -0.572 0.302 4.898 1.00 71.14 H new ATOM 0 HB ILE A 60 0.150 2.334 2.730 1.00 65.13 H new ATOM 0 HG12 ILE A 60 -1.312 -0.342 2.530 1.00 0.02 H new ATOM 0 HG13 ILE A 60 -2.079 1.231 2.448 1.00 0.02 H new ATOM 0 HG21 ILE A 60 1.559 0.551 1.724 1.00 14.42 H new ATOM 0 HG22 ILE A 60 2.149 1.040 3.331 1.00 14.42 H new ATOM 0 HG23 ILE A 60 1.248 -0.483 3.139 1.00 14.42 H new ATOM 0 HD11 ILE A 60 -1.803 0.274 0.212 1.00 14.35 H new ATOM 0 HD12 ILE A 60 -0.824 1.751 0.382 1.00 14.35 H new ATOM 0 HD13 ILE A 60 -0.045 0.153 0.465 1.00 14.35 H new ATOM 1034 N ARG A 61 1.340 1.096 6.332 1.00 74.31 N ATOM 1035 CA ARG A 61 2.575 1.439 7.043 1.00 14.43 C ATOM 1036 C ARG A 61 3.680 0.483 6.587 1.00 51.33 C ATOM 1037 O ARG A 61 3.495 -0.741 6.598 1.00 4.20 O ATOM 1038 CB ARG A 61 2.392 1.378 8.583 1.00 64.23 C ATOM 1039 CG ARG A 61 3.632 1.879 9.356 1.00 44.23 C ATOM 1040 CD ARG A 61 3.488 1.834 10.887 1.00 4.51 C ATOM 1041 NE ARG A 61 4.748 2.231 11.547 1.00 31.41 N ATOM 1042 CZ ARG A 61 4.997 2.181 12.867 1.00 62.24 C ATOM 1043 NH1 ARG A 61 4.073 1.753 13.718 1.00 52.11 N ATOM 1044 NH2 ARG A 61 6.174 2.594 13.329 1.00 15.24 N ATOM 0 H ARG A 61 0.924 0.211 6.622 1.00 74.31 H new ATOM 0 HA ARG A 61 2.848 2.467 6.803 1.00 14.43 H new ATOM 0 HB2 ARG A 61 1.527 1.979 8.865 1.00 64.23 H new ATOM 0 HB3 ARG A 61 2.177 0.351 8.878 1.00 64.23 H new ATOM 0 HG2 ARG A 61 4.493 1.277 9.066 1.00 44.23 H new ATOM 0 HG3 ARG A 61 3.844 2.904 9.053 1.00 44.23 H new ATOM 0 HD2 ARG A 61 2.683 2.499 11.200 1.00 4.51 H new ATOM 0 HD3 ARG A 61 3.210 0.828 11.201 1.00 4.51 H new ATOM 0 HE ARG A 61 5.498 2.574 10.947 1.00 31.41 H new ATOM 0 HH11 ARG A 61 3.160 1.457 13.373 1.00 52.11 H new ATOM 0 HH12 ARG A 61 4.276 1.720 14.717 1.00 52.11 H new ATOM 0 HH21 ARG A 61 6.881 2.946 12.683 1.00 15.24 H new ATOM 0 HH22 ARG A 61 6.370 2.559 14.329 1.00 15.24 H new ATOM 1058 N VAL A 62 4.822 1.053 6.199 1.00 44.50 N ATOM 1059 CA VAL A 62 6.007 0.292 5.790 1.00 3.32 C ATOM 1060 C VAL A 62 6.931 0.143 7.012 1.00 63.11 C ATOM 1061 O VAL A 62 6.947 1.016 7.901 1.00 24.24 O ATOM 1062 CB VAL A 62 6.766 1.017 4.601 1.00 54.51 C ATOM 1063 CG1 VAL A 62 7.296 2.411 4.997 1.00 43.45 C ATOM 1064 CG2 VAL A 62 7.914 0.155 4.037 1.00 3.13 C ATOM 0 H VAL A 62 4.953 2.064 6.159 1.00 44.50 H new ATOM 0 HA VAL A 62 5.704 -0.691 5.429 1.00 3.32 H new ATOM 0 HB VAL A 62 6.021 1.155 3.817 1.00 54.51 H new ATOM 0 HG11 VAL A 62 7.807 2.861 4.146 1.00 43.45 H new ATOM 0 HG12 VAL A 62 6.462 3.045 5.297 1.00 43.45 H new ATOM 0 HG13 VAL A 62 7.994 2.312 5.828 1.00 43.45 H new ATOM 0 HG21 VAL A 62 8.406 0.690 3.225 1.00 3.13 H new ATOM 0 HG22 VAL A 62 8.637 -0.050 4.827 1.00 3.13 H new ATOM 0 HG23 VAL A 62 7.512 -0.785 3.660 1.00 3.13 H new ATOM 1074 N LYS A 63 7.668 -0.974 7.081 1.00 24.05 N ATOM 1075 CA LYS A 63 8.703 -1.159 8.098 1.00 34.34 C ATOM 1076 C LYS A 63 9.977 -0.417 7.651 1.00 31.22 C ATOM 1077 O LYS A 63 10.350 -0.456 6.472 1.00 53.12 O ATOM 1078 CB LYS A 63 8.983 -2.659 8.347 1.00 11.31 C ATOM 1079 CG LYS A 63 10.051 -2.911 9.439 1.00 42.02 C ATOM 1080 CD LYS A 63 10.187 -4.392 9.833 1.00 55.52 C ATOM 1081 CE LYS A 63 8.941 -4.926 10.553 1.00 73.14 C ATOM 1082 NZ LYS A 63 8.650 -4.193 11.818 1.00 0.43 N ATOM 0 H LYS A 63 7.564 -1.762 6.442 1.00 24.05 H new ATOM 0 HA LYS A 63 8.358 -0.743 9.045 1.00 34.34 H new ATOM 0 HB2 LYS A 63 8.055 -3.151 8.636 1.00 11.31 H new ATOM 0 HB3 LYS A 63 9.311 -3.120 7.415 1.00 11.31 H new ATOM 0 HG2 LYS A 63 11.015 -2.548 9.084 1.00 42.02 H new ATOM 0 HG3 LYS A 63 9.798 -2.329 10.325 1.00 42.02 H new ATOM 0 HD2 LYS A 63 10.369 -4.987 8.938 1.00 55.52 H new ATOM 0 HD3 LYS A 63 11.056 -4.514 10.479 1.00 55.52 H new ATOM 0 HE2 LYS A 63 8.081 -4.850 9.888 1.00 73.14 H new ATOM 0 HE3 LYS A 63 9.080 -5.984 10.775 1.00 73.14 H new ATOM 0 HZ1 LYS A 63 7.921 -4.704 12.355 1.00 0.43 H new ATOM 0 HZ2 LYS A 63 9.517 -4.126 12.388 1.00 0.43 H new ATOM 0 HZ3 LYS A 63 8.309 -3.236 11.594 1.00 0.43 H new ATOM 1096 N HIS A 64 10.616 0.270 8.605 1.00 42.32 N ATOM 1097 CA HIS A 64 11.768 1.152 8.355 1.00 72.12 C ATOM 1098 C HIS A 64 13.073 0.342 8.351 1.00 72.03 C ATOM 1099 O HIS A 64 13.317 -0.424 9.282 1.00 65.43 O ATOM 1100 CB HIS A 64 11.804 2.264 9.441 1.00 24.42 C ATOM 1101 CG HIS A 64 10.664 3.255 9.369 1.00 13.51 C ATOM 1102 ND1 HIS A 64 10.636 4.417 10.107 1.00 74.32 N ATOM 1103 CD2 HIS A 64 9.520 3.265 8.635 1.00 74.42 C ATOM 1104 CE1 HIS A 64 9.541 5.087 9.833 1.00 70.22 C ATOM 1105 NE2 HIS A 64 8.848 4.411 8.946 1.00 12.13 N ATOM 0 H HIS A 64 10.345 0.230 9.588 1.00 42.32 H new ATOM 0 HA HIS A 64 11.666 1.618 7.375 1.00 72.12 H new ATOM 0 HB2 HIS A 64 11.797 1.793 10.424 1.00 24.42 H new ATOM 0 HB3 HIS A 64 12.745 2.807 9.355 1.00 24.42 H new ATOM 0 HD1 HIS A 64 11.356 4.712 10.766 1.00 74.32 H new ATOM 0 HD2 HIS A 64 9.202 2.506 7.935 1.00 74.42 H new ATOM 0 HE1 HIS A 64 9.258 6.035 10.265 1.00 70.22 H new ATOM 1114 N SER A 65 13.885 0.515 7.294 1.00 3.13 N ATOM 1115 CA SER A 65 15.177 -0.180 7.131 1.00 71.55 C ATOM 1116 C SER A 65 16.192 0.273 8.208 1.00 32.12 C ATOM 1117 O SER A 65 16.556 -0.499 9.105 1.00 64.00 O ATOM 1118 CB SER A 65 15.712 0.071 5.701 1.00 2.02 C ATOM 1119 OG SER A 65 14.758 -0.327 4.725 1.00 71.25 O ATOM 0 H SER A 65 13.663 1.145 6.523 1.00 3.13 H new ATOM 0 HA SER A 65 15.031 -1.251 7.267 1.00 71.55 H new ATOM 0 HB2 SER A 65 15.946 1.128 5.576 1.00 2.02 H new ATOM 0 HB3 SER A 65 16.641 -0.481 5.554 1.00 2.02 H new ATOM 0 HG SER A 65 14.886 0.200 3.909 1.00 71.25 H new ATOM 1125 N ASP A 66 16.586 1.550 8.143 1.00 53.10 N ATOM 1126 CA ASP A 66 17.570 2.154 9.066 1.00 4.32 C ATOM 1127 C ASP A 66 17.452 3.685 8.987 1.00 74.01 C ATOM 1128 O ASP A 66 17.069 4.197 7.948 1.00 14.32 O ATOM 1129 CB ASP A 66 19.015 1.695 8.721 1.00 72.33 C ATOM 1130 CG ASP A 66 20.083 2.345 9.622 1.00 53.43 C ATOM 1131 OD1 ASP A 66 20.217 1.928 10.800 1.00 23.25 O ATOM 1132 OD2 ASP A 66 20.767 3.287 9.177 1.00 51.14 O ATOM 0 H ASP A 66 16.231 2.204 7.445 1.00 53.10 H new ATOM 0 HA ASP A 66 17.358 1.823 10.083 1.00 4.32 H new ATOM 0 HB2 ASP A 66 19.078 0.611 8.815 1.00 72.33 H new ATOM 0 HB3 ASP A 66 19.229 1.937 7.680 1.00 72.33 H new ATOM 1137 N ALA A 67 17.794 4.397 10.086 1.00 2.23 N ATOM 1138 CA ALA A 67 17.624 5.867 10.218 1.00 42.30 C ATOM 1139 C ALA A 67 18.323 6.666 9.095 1.00 11.44 C ATOM 1140 O ALA A 67 17.834 7.729 8.687 1.00 32.52 O ATOM 1141 CB ALA A 67 18.110 6.325 11.603 1.00 21.23 C ATOM 0 H ALA A 67 18.200 3.965 10.916 1.00 2.23 H new ATOM 0 HA ALA A 67 16.559 6.077 10.115 1.00 42.30 H new ATOM 0 HB1 ALA A 67 17.983 7.404 11.695 1.00 21.23 H new ATOM 0 HB2 ALA A 67 17.528 5.824 12.377 1.00 21.23 H new ATOM 0 HB3 ALA A 67 19.164 6.072 11.721 1.00 21.23 H new ATOM 1147 N ALA A 68 19.456 6.137 8.597 1.00 30.01 N ATOM 1148 CA ALA A 68 20.179 6.718 7.448 1.00 15.13 C ATOM 1149 C ALA A 68 19.337 6.608 6.165 1.00 25.22 C ATOM 1150 O ALA A 68 19.256 7.558 5.374 1.00 23.44 O ATOM 1151 CB ALA A 68 21.529 6.011 7.257 1.00 61.33 C ATOM 0 H ALA A 68 19.895 5.299 8.977 1.00 30.01 H new ATOM 0 HA ALA A 68 20.359 7.773 7.653 1.00 15.13 H new ATOM 0 HB1 ALA A 68 22.052 6.449 6.407 1.00 61.33 H new ATOM 0 HB2 ALA A 68 22.133 6.132 8.156 1.00 61.33 H new ATOM 0 HB3 ALA A 68 21.361 4.950 7.072 1.00 61.33 H new ATOM 1157 N GLU A 69 18.696 5.436 6.000 1.00 74.22 N ATOM 1158 CA GLU A 69 17.877 5.113 4.824 1.00 21.44 C ATOM 1159 C GLU A 69 16.568 5.922 4.806 1.00 23.11 C ATOM 1160 O GLU A 69 16.287 6.579 3.820 1.00 64.24 O ATOM 1161 CB GLU A 69 17.553 3.593 4.792 1.00 73.03 C ATOM 1162 CG GLU A 69 18.788 2.682 4.794 1.00 42.44 C ATOM 1163 CD GLU A 69 19.718 2.930 3.592 1.00 73.31 C ATOM 1164 OE1 GLU A 69 19.372 2.504 2.470 1.00 54.35 O ATOM 1165 OE2 GLU A 69 20.794 3.547 3.756 1.00 2.54 O ATOM 0 H GLU A 69 18.734 4.683 6.687 1.00 74.22 H new ATOM 0 HA GLU A 69 18.455 5.380 3.939 1.00 21.44 H new ATOM 0 HB2 GLU A 69 16.934 3.348 5.655 1.00 73.03 H new ATOM 0 HB3 GLU A 69 16.960 3.379 3.903 1.00 73.03 H new ATOM 0 HG2 GLU A 69 19.346 2.838 5.717 1.00 42.44 H new ATOM 0 HG3 GLU A 69 18.465 1.641 4.788 1.00 42.44 H new ATOM 1172 N GLU A 70 15.842 5.904 5.956 1.00 61.11 N ATOM 1173 CA GLU A 70 14.402 6.302 6.097 1.00 3.24 C ATOM 1174 C GLU A 70 13.996 7.591 5.356 1.00 40.44 C ATOM 1175 O GLU A 70 12.869 7.691 4.860 1.00 71.21 O ATOM 1176 CB GLU A 70 14.046 6.438 7.600 1.00 75.21 C ATOM 1177 CG GLU A 70 14.061 5.111 8.374 1.00 12.12 C ATOM 1178 CD GLU A 70 13.838 5.270 9.883 1.00 24.50 C ATOM 1179 OE1 GLU A 70 13.015 6.112 10.291 1.00 21.20 O ATOM 1180 OE2 GLU A 70 14.454 4.522 10.670 1.00 63.44 O ATOM 0 H GLU A 70 16.249 5.604 6.842 1.00 61.11 H new ATOM 0 HA GLU A 70 13.836 5.503 5.618 1.00 3.24 H new ATOM 0 HB2 GLU A 70 14.750 7.126 8.068 1.00 75.21 H new ATOM 0 HB3 GLU A 70 13.056 6.886 7.688 1.00 75.21 H new ATOM 0 HG2 GLU A 70 13.289 4.457 7.969 1.00 12.12 H new ATOM 0 HG3 GLU A 70 15.018 4.616 8.208 1.00 12.12 H new ATOM 1187 N LYS A 71 14.921 8.550 5.297 1.00 63.42 N ATOM 1188 CA LYS A 71 14.706 9.856 4.652 1.00 15.15 C ATOM 1189 C LYS A 71 14.503 9.689 3.136 1.00 42.31 C ATOM 1190 O LYS A 71 13.518 10.172 2.560 1.00 52.55 O ATOM 1191 CB LYS A 71 15.911 10.772 4.963 1.00 72.22 C ATOM 1192 CG LYS A 71 16.189 10.904 6.470 1.00 61.31 C ATOM 1193 CD LYS A 71 17.410 11.790 6.794 1.00 73.25 C ATOM 1194 CE LYS A 71 17.610 11.966 8.310 1.00 14.54 C ATOM 1195 NZ LYS A 71 16.405 12.537 8.974 1.00 61.24 N ATOM 0 H LYS A 71 15.853 8.445 5.699 1.00 63.42 H new ATOM 0 HA LYS A 71 13.800 10.316 5.047 1.00 15.15 H new ATOM 0 HB2 LYS A 71 16.798 10.377 4.468 1.00 72.22 H new ATOM 0 HB3 LYS A 71 15.726 11.761 4.545 1.00 72.22 H new ATOM 0 HG2 LYS A 71 15.308 11.320 6.959 1.00 61.31 H new ATOM 0 HG3 LYS A 71 16.348 9.911 6.891 1.00 61.31 H new ATOM 0 HD2 LYS A 71 18.306 11.346 6.360 1.00 73.25 H new ATOM 0 HD3 LYS A 71 17.282 12.768 6.330 1.00 73.25 H new ATOM 0 HE2 LYS A 71 17.847 11.001 8.758 1.00 14.54 H new ATOM 0 HE3 LYS A 71 18.465 12.618 8.489 1.00 14.54 H new ATOM 0 HZ1 LYS A 71 16.659 12.873 9.925 1.00 61.24 H new ATOM 0 HZ2 LYS A 71 16.043 13.333 8.411 1.00 61.24 H new ATOM 0 HZ3 LYS A 71 15.671 11.804 9.051 1.00 61.24 H new ATOM 1209 N LYS A 72 15.439 8.965 2.515 1.00 70.22 N ATOM 1210 CA LYS A 72 15.401 8.644 1.085 1.00 1.22 C ATOM 1211 C LYS A 72 14.477 7.427 0.811 1.00 42.03 C ATOM 1212 O LYS A 72 13.848 7.359 -0.240 1.00 20.23 O ATOM 1213 CB LYS A 72 16.849 8.373 0.580 1.00 14.24 C ATOM 1214 CG LYS A 72 16.983 8.198 -0.949 1.00 71.02 C ATOM 1215 CD LYS A 72 16.474 9.433 -1.729 1.00 24.24 C ATOM 1216 CE LYS A 72 16.551 9.253 -3.252 1.00 24.13 C ATOM 1217 NZ LYS A 72 17.944 9.051 -3.740 1.00 72.40 N ATOM 0 H LYS A 72 16.253 8.581 2.996 1.00 70.22 H new ATOM 0 HA LYS A 72 14.987 9.492 0.540 1.00 1.22 H new ATOM 0 HB2 LYS A 72 17.488 9.198 0.894 1.00 14.24 H new ATOM 0 HB3 LYS A 72 17.226 7.474 1.068 1.00 14.24 H new ATOM 0 HG2 LYS A 72 18.028 8.017 -1.201 1.00 71.02 H new ATOM 0 HG3 LYS A 72 16.422 7.317 -1.262 1.00 71.02 H new ATOM 0 HD2 LYS A 72 15.442 9.636 -1.444 1.00 24.24 H new ATOM 0 HD3 LYS A 72 17.061 10.305 -1.441 1.00 24.24 H new ATOM 0 HE2 LYS A 72 15.941 8.398 -3.543 1.00 24.13 H new ATOM 0 HE3 LYS A 72 16.124 10.130 -3.739 1.00 24.13 H new ATOM 0 HZ1 LYS A 72 17.942 8.986 -4.778 1.00 72.40 H new ATOM 0 HZ2 LYS A 72 18.535 9.854 -3.444 1.00 72.40 H new ATOM 0 HZ3 LYS A 72 18.328 8.172 -3.339 1.00 72.40 H new ATOM 1231 N GLU A 73 14.375 6.510 1.799 1.00 60.41 N ATOM 1232 CA GLU A 73 13.648 5.223 1.679 1.00 55.20 C ATOM 1233 C GLU A 73 12.132 5.473 1.581 1.00 72.45 C ATOM 1234 O GLU A 73 11.434 4.799 0.830 1.00 22.14 O ATOM 1235 CB GLU A 73 13.955 4.316 2.909 1.00 4.02 C ATOM 1236 CG GLU A 73 13.473 2.845 2.813 1.00 43.13 C ATOM 1237 CD GLU A 73 14.300 1.973 1.843 1.00 30.24 C ATOM 1238 OE1 GLU A 73 15.378 1.477 2.253 1.00 73.30 O ATOM 1239 OE2 GLU A 73 13.890 1.777 0.680 1.00 73.43 O ATOM 0 H GLU A 73 14.801 6.644 2.716 1.00 60.41 H new ATOM 0 HA GLU A 73 13.983 4.719 0.772 1.00 55.20 H new ATOM 0 HB2 GLU A 73 15.033 4.313 3.072 1.00 4.02 H new ATOM 0 HB3 GLU A 73 13.500 4.769 3.790 1.00 4.02 H new ATOM 0 HG2 GLU A 73 13.507 2.397 3.806 1.00 43.13 H new ATOM 0 HG3 GLU A 73 12.431 2.835 2.495 1.00 43.13 H new ATOM 1246 N ALA A 74 11.654 6.458 2.367 1.00 5.22 N ATOM 1247 CA ALA A 74 10.241 6.868 2.374 1.00 72.31 C ATOM 1248 C ALA A 74 9.833 7.473 1.019 1.00 64.45 C ATOM 1249 O ALA A 74 8.829 7.073 0.457 1.00 61.41 O ATOM 1250 CB ALA A 74 9.977 7.860 3.510 1.00 61.11 C ATOM 0 H ALA A 74 12.238 6.989 3.013 1.00 5.22 H new ATOM 0 HA ALA A 74 9.632 5.980 2.541 1.00 72.31 H new ATOM 0 HB1 ALA A 74 8.927 8.153 3.501 1.00 61.11 H new ATOM 0 HB2 ALA A 74 10.214 7.391 4.465 1.00 61.11 H new ATOM 0 HB3 ALA A 74 10.601 8.743 3.374 1.00 61.11 H new ATOM 1256 N LYS A 75 10.649 8.435 0.521 1.00 22.21 N ATOM 1257 CA LYS A 75 10.460 9.099 -0.798 1.00 54.00 C ATOM 1258 C LYS A 75 10.502 8.073 -1.963 1.00 63.21 C ATOM 1259 O LYS A 75 9.696 8.133 -2.907 1.00 72.41 O ATOM 1260 CB LYS A 75 11.573 10.178 -0.980 1.00 50.54 C ATOM 1261 CG LYS A 75 11.492 11.018 -2.283 1.00 72.43 C ATOM 1262 CD LYS A 75 10.203 11.869 -2.376 1.00 21.50 C ATOM 1263 CE LYS A 75 10.106 12.666 -3.690 1.00 33.32 C ATOM 1264 NZ LYS A 75 10.165 11.788 -4.889 1.00 12.12 N ATOM 0 H LYS A 75 11.466 8.777 1.027 1.00 22.21 H new ATOM 0 HA LYS A 75 9.477 9.570 -0.820 1.00 54.00 H new ATOM 0 HB2 LYS A 75 11.536 10.858 -0.129 1.00 50.54 H new ATOM 0 HB3 LYS A 75 12.543 9.681 -0.950 1.00 50.54 H new ATOM 0 HG2 LYS A 75 12.359 11.676 -2.339 1.00 72.43 H new ATOM 0 HG3 LYS A 75 11.542 10.350 -3.143 1.00 72.43 H new ATOM 0 HD2 LYS A 75 9.335 11.216 -2.288 1.00 21.50 H new ATOM 0 HD3 LYS A 75 10.168 12.560 -1.534 1.00 21.50 H new ATOM 0 HE2 LYS A 75 9.174 13.231 -3.702 1.00 33.32 H new ATOM 0 HE3 LYS A 75 10.919 13.391 -3.733 1.00 33.32 H new ATOM 0 HZ1 LYS A 75 9.911 12.338 -5.735 1.00 12.12 H new ATOM 0 HZ2 LYS A 75 11.129 11.412 -4.997 1.00 12.12 H new ATOM 0 HZ3 LYS A 75 9.496 11.000 -4.775 1.00 12.12 H new ATOM 1278 N LYS A 76 11.436 7.122 -1.835 1.00 1.02 N ATOM 1279 CA LYS A 76 11.689 6.039 -2.807 1.00 74.04 C ATOM 1280 C LYS A 76 10.471 5.102 -2.901 1.00 53.31 C ATOM 1281 O LYS A 76 9.952 4.843 -3.993 1.00 42.31 O ATOM 1282 CB LYS A 76 12.960 5.275 -2.347 1.00 13.44 C ATOM 1283 CG LYS A 76 13.269 3.924 -3.028 1.00 33.13 C ATOM 1284 CD LYS A 76 14.445 3.208 -2.308 1.00 25.54 C ATOM 1285 CE LYS A 76 14.642 1.748 -2.742 1.00 73.44 C ATOM 1286 NZ LYS A 76 15.556 1.026 -1.813 1.00 71.13 N ATOM 0 H LYS A 76 12.059 7.080 -1.028 1.00 1.02 H new ATOM 0 HA LYS A 76 11.850 6.449 -3.804 1.00 74.04 H new ATOM 0 HB2 LYS A 76 13.818 5.930 -2.496 1.00 13.44 H new ATOM 0 HB3 LYS A 76 12.876 5.099 -1.275 1.00 13.44 H new ATOM 0 HG2 LYS A 76 12.383 3.289 -3.009 1.00 33.13 H new ATOM 0 HG3 LYS A 76 13.522 4.088 -4.076 1.00 33.13 H new ATOM 0 HD2 LYS A 76 15.365 3.761 -2.498 1.00 25.54 H new ATOM 0 HD3 LYS A 76 14.272 3.237 -1.232 1.00 25.54 H new ATOM 0 HE2 LYS A 76 13.677 1.242 -2.773 1.00 73.44 H new ATOM 0 HE3 LYS A 76 15.049 1.719 -3.753 1.00 73.44 H new ATOM 0 HZ1 LYS A 76 15.590 0.019 -2.072 1.00 71.13 H new ATOM 0 HZ2 LYS A 76 16.511 1.433 -1.879 1.00 71.13 H new ATOM 0 HZ3 LYS A 76 15.206 1.121 -0.838 1.00 71.13 H new ATOM 1300 N PHE A 77 9.996 4.643 -1.734 1.00 72.05 N ATOM 1301 CA PHE A 77 8.867 3.703 -1.639 1.00 12.23 C ATOM 1302 C PHE A 77 7.539 4.435 -1.910 1.00 44.02 C ATOM 1303 O PHE A 77 6.567 3.815 -2.317 1.00 42.30 O ATOM 1304 CB PHE A 77 8.866 3.009 -0.249 1.00 14.30 C ATOM 1305 CG PHE A 77 7.872 1.850 -0.112 1.00 44.41 C ATOM 1306 CD1 PHE A 77 7.986 0.717 -0.923 1.00 32.51 C ATOM 1307 CD2 PHE A 77 6.818 1.892 0.809 1.00 22.53 C ATOM 1308 CE1 PHE A 77 7.093 -0.332 -0.807 1.00 50.12 C ATOM 1309 CE2 PHE A 77 5.927 0.836 0.921 1.00 65.41 C ATOM 1310 CZ PHE A 77 6.060 -0.270 0.107 1.00 13.31 C ATOM 0 H PHE A 77 10.383 4.912 -0.829 1.00 72.05 H new ATOM 0 HA PHE A 77 8.978 2.929 -2.398 1.00 12.23 H new ATOM 0 HB2 PHE A 77 9.869 2.635 -0.044 1.00 14.30 H new ATOM 0 HB3 PHE A 77 8.641 3.754 0.514 1.00 14.30 H new ATOM 0 HD1 PHE A 77 8.783 0.660 -1.650 1.00 32.51 H new ATOM 0 HD2 PHE A 77 6.698 2.759 1.441 1.00 22.53 H new ATOM 0 HE1 PHE A 77 7.204 -1.204 -1.434 1.00 50.12 H new ATOM 0 HE2 PHE A 77 5.128 0.879 1.646 1.00 65.41 H new ATOM 0 HZ PHE A 77 5.357 -1.086 0.185 1.00 13.31 H new ATOM 1320 N ALA A 78 7.534 5.762 -1.690 1.00 13.41 N ATOM 1321 CA ALA A 78 6.389 6.637 -2.005 1.00 43.42 C ATOM 1322 C ALA A 78 6.208 6.771 -3.520 1.00 51.34 C ATOM 1323 O ALA A 78 5.086 6.908 -3.996 1.00 21.02 O ATOM 1324 CB ALA A 78 6.573 8.017 -1.367 1.00 41.13 C ATOM 0 H ALA A 78 8.327 6.260 -1.287 1.00 13.41 H new ATOM 0 HA ALA A 78 5.490 6.180 -1.590 1.00 43.42 H new ATOM 0 HB1 ALA A 78 5.718 8.648 -1.611 1.00 41.13 H new ATOM 0 HB2 ALA A 78 6.648 7.910 -0.285 1.00 41.13 H new ATOM 0 HB3 ALA A 78 7.484 8.477 -1.750 1.00 41.13 H new ATOM 1330 N ALA A 79 7.336 6.745 -4.261 1.00 51.43 N ATOM 1331 CA ALA A 79 7.339 6.731 -5.736 1.00 23.51 C ATOM 1332 C ALA A 79 6.774 5.403 -6.272 1.00 60.34 C ATOM 1333 O ALA A 79 5.999 5.385 -7.235 1.00 1.42 O ATOM 1334 CB ALA A 79 8.768 6.962 -6.250 1.00 63.11 C ATOM 0 H ALA A 79 8.270 6.733 -3.851 1.00 51.43 H new ATOM 0 HA ALA A 79 6.698 7.534 -6.099 1.00 23.51 H new ATOM 0 HB1 ALA A 79 8.769 6.951 -7.340 1.00 63.11 H new ATOM 0 HB2 ALA A 79 9.130 7.927 -5.896 1.00 63.11 H new ATOM 0 HB3 ALA A 79 9.420 6.171 -5.879 1.00 63.11 H new ATOM 1340 N ILE A 80 7.167 4.302 -5.604 1.00 4.12 N ATOM 1341 CA ILE A 80 6.721 2.934 -5.932 1.00 4.21 C ATOM 1342 C ILE A 80 5.223 2.760 -5.627 1.00 5.42 C ATOM 1343 O ILE A 80 4.484 2.193 -6.440 1.00 61.54 O ATOM 1344 CB ILE A 80 7.590 1.877 -5.146 1.00 61.31 C ATOM 1345 CG1 ILE A 80 9.079 2.001 -5.576 1.00 14.25 C ATOM 1346 CG2 ILE A 80 7.086 0.424 -5.330 1.00 71.33 C ATOM 1347 CD1 ILE A 80 9.326 1.780 -7.066 1.00 13.51 C ATOM 0 H ILE A 80 7.810 4.337 -4.813 1.00 4.12 H new ATOM 0 HA ILE A 80 6.861 2.767 -7.000 1.00 4.21 H new ATOM 0 HB ILE A 80 7.493 2.101 -4.084 1.00 61.31 H new ATOM 0 HG12 ILE A 80 9.442 2.992 -5.303 1.00 14.25 H new ATOM 0 HG13 ILE A 80 9.669 1.279 -5.011 1.00 14.25 H new ATOM 0 HG21 ILE A 80 7.724 -0.257 -4.766 1.00 71.33 H new ATOM 0 HG22 ILE A 80 6.061 0.346 -4.967 1.00 71.33 H new ATOM 0 HG23 ILE A 80 7.118 0.159 -6.387 1.00 71.33 H new ATOM 0 HD11 ILE A 80 10.390 1.885 -7.278 1.00 13.51 H new ATOM 0 HD12 ILE A 80 8.997 0.779 -7.345 1.00 13.51 H new ATOM 0 HD13 ILE A 80 8.767 2.518 -7.641 1.00 13.51 H new ATOM 1359 N LEU A 81 4.783 3.310 -4.477 1.00 24.30 N ATOM 1360 CA LEU A 81 3.371 3.298 -4.057 1.00 11.12 C ATOM 1361 C LEU A 81 2.528 4.113 -5.059 1.00 43.35 C ATOM 1362 O LEU A 81 1.512 3.628 -5.552 1.00 1.51 O ATOM 1363 CB LEU A 81 3.215 3.878 -2.614 1.00 12.40 C ATOM 1364 CG LEU A 81 3.618 2.940 -1.427 1.00 23.42 C ATOM 1365 CD1 LEU A 81 3.549 3.690 -0.079 1.00 64.23 C ATOM 1366 CD2 LEU A 81 2.744 1.665 -1.385 1.00 34.23 C ATOM 0 H LEU A 81 5.401 3.776 -3.813 1.00 24.30 H new ATOM 0 HA LEU A 81 3.017 2.267 -4.044 1.00 11.12 H new ATOM 0 HB2 LEU A 81 3.813 4.787 -2.547 1.00 12.40 H new ATOM 0 HB3 LEU A 81 2.174 4.171 -2.477 1.00 12.40 H new ATOM 0 HG LEU A 81 4.649 2.630 -1.596 1.00 23.42 H new ATOM 0 HD11 LEU A 81 3.834 3.015 0.728 1.00 64.23 H new ATOM 0 HD12 LEU A 81 4.232 4.539 -0.100 1.00 64.23 H new ATOM 0 HD13 LEU A 81 2.532 4.046 0.088 1.00 64.23 H new ATOM 0 HD21 LEU A 81 3.054 1.039 -0.548 1.00 34.23 H new ATOM 0 HD22 LEU A 81 1.698 1.945 -1.261 1.00 34.23 H new ATOM 0 HD23 LEU A 81 2.864 1.111 -2.316 1.00 34.23 H new ATOM 1378 N ASN A 82 3.028 5.328 -5.383 1.00 20.32 N ATOM 1379 CA ASN A 82 2.359 6.305 -6.278 1.00 34.11 C ATOM 1380 C ASN A 82 2.048 5.685 -7.650 1.00 53.30 C ATOM 1381 O ASN A 82 0.947 5.859 -8.185 1.00 15.31 O ATOM 1382 CB ASN A 82 3.260 7.569 -6.436 1.00 5.25 C ATOM 1383 CG ASN A 82 2.733 8.594 -7.447 1.00 43.23 C ATOM 1384 OD1 ASN A 82 3.089 8.573 -8.627 1.00 24.13 O ATOM 1385 ND2 ASN A 82 1.870 9.480 -7.008 1.00 11.35 N ATOM 0 H ASN A 82 3.922 5.664 -5.025 1.00 20.32 H new ATOM 0 HA ASN A 82 1.409 6.594 -5.829 1.00 34.11 H new ATOM 0 HB2 ASN A 82 3.362 8.053 -5.465 1.00 5.25 H new ATOM 0 HB3 ASN A 82 4.258 7.254 -6.741 1.00 5.25 H new ATOM 0 HD21 ASN A 82 1.479 10.171 -7.648 1.00 11.35 H new ATOM 0 HD22 ASN A 82 1.591 9.477 -6.027 1.00 11.35 H new ATOM 1392 N LYS A 83 3.029 4.931 -8.183 1.00 62.22 N ATOM 1393 CA LYS A 83 2.896 4.251 -9.480 1.00 12.23 C ATOM 1394 C LYS A 83 1.842 3.129 -9.419 1.00 73.32 C ATOM 1395 O LYS A 83 1.019 3.019 -10.325 1.00 71.02 O ATOM 1396 CB LYS A 83 4.266 3.703 -9.962 1.00 54.40 C ATOM 1397 CG LYS A 83 5.263 4.781 -10.448 1.00 40.11 C ATOM 1398 CD LYS A 83 4.688 5.660 -11.590 1.00 73.30 C ATOM 1399 CE LYS A 83 5.736 6.608 -12.194 1.00 3.41 C ATOM 1400 NZ LYS A 83 6.341 7.521 -11.190 1.00 53.03 N ATOM 0 H LYS A 83 3.929 4.779 -7.728 1.00 62.22 H new ATOM 0 HA LYS A 83 2.552 4.987 -10.207 1.00 12.23 H new ATOM 0 HB2 LYS A 83 4.725 3.145 -9.146 1.00 54.40 H new ATOM 0 HB3 LYS A 83 4.093 2.996 -10.774 1.00 54.40 H new ATOM 0 HG2 LYS A 83 5.539 5.419 -9.608 1.00 40.11 H new ATOM 0 HG3 LYS A 83 6.176 4.296 -10.793 1.00 40.11 H new ATOM 0 HD2 LYS A 83 4.292 5.015 -12.375 1.00 73.30 H new ATOM 0 HD3 LYS A 83 3.852 6.246 -11.207 1.00 73.30 H new ATOM 0 HE2 LYS A 83 6.524 6.018 -12.662 1.00 3.41 H new ATOM 0 HE3 LYS A 83 5.271 7.200 -12.982 1.00 3.41 H new ATOM 0 HZ1 LYS A 83 7.039 8.135 -11.656 1.00 53.03 H new ATOM 0 HZ2 LYS A 83 5.597 8.106 -10.760 1.00 53.03 H new ATOM 0 HZ3 LYS A 83 6.811 6.961 -10.450 1.00 53.03 H new ATOM 1414 N VAL A 84 1.837 2.354 -8.314 1.00 53.13 N ATOM 1415 CA VAL A 84 0.901 1.223 -8.116 1.00 73.40 C ATOM 1416 C VAL A 84 -0.548 1.737 -8.033 1.00 13.51 C ATOM 1417 O VAL A 84 -1.468 1.150 -8.616 1.00 41.41 O ATOM 1418 CB VAL A 84 1.286 0.396 -6.827 1.00 4.35 C ATOM 1419 CG1 VAL A 84 0.195 -0.628 -6.426 1.00 4.02 C ATOM 1420 CG2 VAL A 84 2.646 -0.307 -7.038 1.00 53.10 C ATOM 0 H VAL A 84 2.480 2.493 -7.534 1.00 53.13 H new ATOM 0 HA VAL A 84 0.977 0.555 -8.974 1.00 73.40 H new ATOM 0 HB VAL A 84 1.367 1.102 -6.000 1.00 4.35 H new ATOM 0 HG11 VAL A 84 0.513 -1.168 -5.534 1.00 4.02 H new ATOM 0 HG12 VAL A 84 -0.738 -0.104 -6.220 1.00 4.02 H new ATOM 0 HG13 VAL A 84 0.041 -1.334 -7.242 1.00 4.02 H new ATOM 0 HG21 VAL A 84 2.904 -0.875 -6.144 1.00 53.10 H new ATOM 0 HG22 VAL A 84 2.578 -0.983 -7.891 1.00 53.10 H new ATOM 0 HG23 VAL A 84 3.416 0.440 -7.228 1.00 53.10 H new ATOM 1430 N PHE A 85 -0.715 2.867 -7.331 1.00 33.14 N ATOM 1431 CA PHE A 85 -2.014 3.541 -7.183 1.00 32.54 C ATOM 1432 C PHE A 85 -2.512 4.060 -8.546 1.00 11.03 C ATOM 1433 O PHE A 85 -3.689 3.928 -8.859 1.00 62.52 O ATOM 1434 CB PHE A 85 -1.925 4.684 -6.137 1.00 62.13 C ATOM 1435 CG PHE A 85 -1.475 4.233 -4.741 1.00 5.44 C ATOM 1436 CD1 PHE A 85 -1.790 2.958 -4.243 1.00 0.43 C ATOM 1437 CD2 PHE A 85 -0.719 5.077 -3.930 1.00 23.01 C ATOM 1438 CE1 PHE A 85 -1.364 2.558 -2.991 1.00 0.43 C ATOM 1439 CE2 PHE A 85 -0.301 4.670 -2.679 1.00 2.33 C ATOM 1440 CZ PHE A 85 -0.617 3.410 -2.213 1.00 75.33 C ATOM 0 H PHE A 85 0.049 3.341 -6.848 1.00 33.14 H new ATOM 0 HA PHE A 85 -2.741 2.816 -6.817 1.00 32.54 H new ATOM 0 HB2 PHE A 85 -1.231 5.441 -6.502 1.00 62.13 H new ATOM 0 HB3 PHE A 85 -2.902 5.161 -6.054 1.00 62.13 H new ATOM 0 HD1 PHE A 85 -2.374 2.280 -4.848 1.00 0.43 H new ATOM 0 HD2 PHE A 85 -0.457 6.063 -4.285 1.00 23.01 H new ATOM 0 HE1 PHE A 85 -1.618 1.575 -2.623 1.00 0.43 H new ATOM 0 HE2 PHE A 85 0.277 5.342 -2.061 1.00 2.33 H new ATOM 0 HZ PHE A 85 -0.278 3.094 -1.238 1.00 75.33 H new ATOM 1450 N ALA A 86 -1.589 4.599 -9.359 1.00 11.15 N ATOM 1451 CA ALA A 86 -1.895 5.083 -10.726 1.00 60.12 C ATOM 1452 C ALA A 86 -2.252 3.921 -11.685 1.00 65.52 C ATOM 1453 O ALA A 86 -2.949 4.125 -12.683 1.00 61.44 O ATOM 1454 CB ALA A 86 -0.707 5.883 -11.274 1.00 4.30 C ATOM 0 H ALA A 86 -0.611 4.714 -9.093 1.00 11.15 H new ATOM 0 HA ALA A 86 -2.770 5.730 -10.663 1.00 60.12 H new ATOM 0 HB1 ALA A 86 -0.938 6.236 -12.279 1.00 4.30 H new ATOM 0 HB2 ALA A 86 -0.513 6.737 -10.625 1.00 4.30 H new ATOM 0 HB3 ALA A 86 0.176 5.245 -11.308 1.00 4.30 H new ATOM 1460 N GLU A 87 -1.769 2.703 -11.363 1.00 60.41 N ATOM 1461 CA GLU A 87 -2.048 1.474 -12.147 1.00 61.01 C ATOM 1462 C GLU A 87 -3.428 0.891 -11.788 1.00 61.31 C ATOM 1463 O GLU A 87 -4.016 0.147 -12.576 1.00 23.13 O ATOM 1464 CB GLU A 87 -0.943 0.411 -11.891 1.00 10.13 C ATOM 1465 CG GLU A 87 0.447 0.794 -12.426 1.00 23.24 C ATOM 1466 CD GLU A 87 1.519 -0.254 -12.097 1.00 73.42 C ATOM 1467 OE1 GLU A 87 2.161 -0.166 -11.024 1.00 54.54 O ATOM 1468 OE2 GLU A 87 1.718 -1.179 -12.911 1.00 62.13 O ATOM 0 H GLU A 87 -1.173 2.540 -10.551 1.00 60.41 H new ATOM 0 HA GLU A 87 -2.051 1.741 -13.204 1.00 61.01 H new ATOM 0 HB2 GLU A 87 -0.869 0.233 -10.818 1.00 10.13 H new ATOM 0 HB3 GLU A 87 -1.248 -0.530 -12.349 1.00 10.13 H new ATOM 0 HG2 GLU A 87 0.392 0.925 -13.507 1.00 23.24 H new ATOM 0 HG3 GLU A 87 0.742 1.754 -12.003 1.00 23.24 H new ATOM 1475 N LEU A 88 -3.952 1.255 -10.603 1.00 2.44 N ATOM 1476 CA LEU A 88 -5.199 0.672 -10.061 1.00 40.21 C ATOM 1477 C LEU A 88 -6.365 1.682 -10.151 1.00 11.44 C ATOM 1478 O LEU A 88 -7.534 1.281 -10.159 1.00 42.11 O ATOM 1479 CB LEU A 88 -4.983 0.186 -8.596 1.00 24.12 C ATOM 1480 CG LEU A 88 -3.917 -0.953 -8.389 1.00 11.40 C ATOM 1481 CD1 LEU A 88 -3.760 -1.319 -6.897 1.00 40.02 C ATOM 1482 CD2 LEU A 88 -4.237 -2.210 -9.236 1.00 63.42 C ATOM 0 H LEU A 88 -3.528 1.957 -9.996 1.00 2.44 H new ATOM 0 HA LEU A 88 -5.466 -0.194 -10.667 1.00 40.21 H new ATOM 0 HB2 LEU A 88 -4.689 1.044 -7.991 1.00 24.12 H new ATOM 0 HB3 LEU A 88 -5.939 -0.165 -8.208 1.00 24.12 H new ATOM 0 HG LEU A 88 -2.964 -0.557 -8.740 1.00 11.40 H new ATOM 0 HD11 LEU A 88 -3.016 -2.109 -6.792 1.00 40.02 H new ATOM 0 HD12 LEU A 88 -3.437 -0.440 -6.339 1.00 40.02 H new ATOM 0 HD13 LEU A 88 -4.716 -1.667 -6.505 1.00 40.02 H new ATOM 0 HD21 LEU A 88 -3.475 -2.970 -9.062 1.00 63.42 H new ATOM 0 HD22 LEU A 88 -5.213 -2.602 -8.950 1.00 63.42 H new ATOM 0 HD23 LEU A 88 -4.248 -1.943 -10.293 1.00 63.42 H new ATOM 1494 N GLY A 89 -6.038 2.991 -10.225 1.00 62.10 N ATOM 1495 CA GLY A 89 -7.036 4.063 -10.374 1.00 42.21 C ATOM 1496 C GLY A 89 -7.314 4.841 -9.084 1.00 33.12 C ATOM 1497 O GLY A 89 -8.471 5.172 -8.782 1.00 54.22 O ATOM 0 H GLY A 89 -5.077 3.329 -10.183 1.00 62.10 H new ATOM 0 HA2 GLY A 89 -6.694 4.760 -11.139 1.00 42.21 H new ATOM 0 HA3 GLY A 89 -7.969 3.629 -10.732 1.00 42.21 H new ATOM 1501 N TYR A 90 -6.258 5.119 -8.310 1.00 62.21 N ATOM 1502 CA TYR A 90 -6.306 6.041 -7.156 1.00 24.10 C ATOM 1503 C TYR A 90 -5.448 7.265 -7.509 1.00 4.35 C ATOM 1504 O TYR A 90 -4.324 7.104 -8.007 1.00 12.01 O ATOM 1505 CB TYR A 90 -5.760 5.367 -5.859 1.00 45.33 C ATOM 1506 CG TYR A 90 -6.209 3.914 -5.633 1.00 1.11 C ATOM 1507 CD1 TYR A 90 -7.562 3.563 -5.582 1.00 13.13 C ATOM 1508 CD2 TYR A 90 -5.271 2.885 -5.493 1.00 2.31 C ATOM 1509 CE1 TYR A 90 -7.949 2.250 -5.393 1.00 23.32 C ATOM 1510 CE2 TYR A 90 -5.659 1.577 -5.308 1.00 42.30 C ATOM 1511 CZ TYR A 90 -6.992 1.264 -5.263 1.00 74.21 C ATOM 1512 OH TYR A 90 -7.374 -0.045 -5.100 1.00 35.22 O ATOM 0 H TYR A 90 -5.336 4.710 -8.464 1.00 62.21 H new ATOM 0 HA TYR A 90 -7.340 6.325 -6.959 1.00 24.10 H new ATOM 0 HB2 TYR A 90 -4.671 5.393 -5.887 1.00 45.33 H new ATOM 0 HB3 TYR A 90 -6.071 5.963 -5.001 1.00 45.33 H new ATOM 0 HD1 TYR A 90 -8.315 4.329 -5.692 1.00 13.13 H new ATOM 0 HD2 TYR A 90 -4.218 3.122 -5.531 1.00 2.31 H new ATOM 0 HE1 TYR A 90 -8.998 1.996 -5.347 1.00 23.32 H new ATOM 0 HE2 TYR A 90 -4.916 0.801 -5.199 1.00 42.30 H new ATOM 0 HH TYR A 90 -7.384 -0.266 -4.145 1.00 35.22 H new ATOM 1522 N ASN A 91 -5.968 8.467 -7.235 1.00 34.11 N ATOM 1523 CA ASN A 91 -5.316 9.742 -7.608 1.00 31.40 C ATOM 1524 C ASN A 91 -4.260 10.132 -6.542 1.00 23.43 C ATOM 1525 O ASN A 91 -4.332 9.664 -5.398 1.00 32.13 O ATOM 1526 CB ASN A 91 -6.403 10.849 -7.756 1.00 62.32 C ATOM 1527 CG ASN A 91 -5.895 12.152 -8.393 1.00 55.04 C ATOM 1528 OD1 ASN A 91 -5.388 13.040 -7.715 1.00 12.05 O ATOM 1529 ND2 ASN A 91 -6.068 12.293 -9.692 1.00 35.14 N ATOM 0 H ASN A 91 -6.855 8.591 -6.747 1.00 34.11 H new ATOM 0 HA ASN A 91 -4.800 9.629 -8.562 1.00 31.40 H new ATOM 0 HB2 ASN A 91 -7.223 10.459 -8.359 1.00 62.32 H new ATOM 0 HB3 ASN A 91 -6.812 11.075 -6.771 1.00 62.32 H new ATOM 0 HD21 ASN A 91 -5.778 13.155 -10.155 1.00 35.14 H new ATOM 0 HD22 ASN A 91 -6.492 11.541 -10.235 1.00 35.14 H new ATOM 1536 N ASP A 92 -3.291 10.986 -6.938 1.00 32.13 N ATOM 1537 CA ASP A 92 -2.219 11.520 -6.047 1.00 53.55 C ATOM 1538 C ASP A 92 -2.811 12.265 -4.832 1.00 41.40 C ATOM 1539 O ASP A 92 -2.295 12.165 -3.716 1.00 31.52 O ATOM 1540 CB ASP A 92 -1.289 12.500 -6.831 1.00 42.10 C ATOM 1541 CG ASP A 92 -0.565 11.868 -8.035 1.00 73.40 C ATOM 1542 OD1 ASP A 92 -1.241 11.286 -8.908 1.00 31.33 O ATOM 1543 OD2 ASP A 92 0.677 11.961 -8.122 1.00 32.23 O ATOM 0 H ASP A 92 -3.224 11.332 -7.895 1.00 32.13 H new ATOM 0 HA ASP A 92 -1.643 10.665 -5.693 1.00 53.55 H new ATOM 0 HB2 ASP A 92 -1.884 13.343 -7.183 1.00 42.10 H new ATOM 0 HB3 ASP A 92 -0.543 12.901 -6.144 1.00 42.10 H new ATOM 1548 N SER A 93 -3.890 13.022 -5.098 1.00 62.32 N ATOM 1549 CA SER A 93 -4.640 13.790 -4.087 1.00 70.35 C ATOM 1550 C SER A 93 -5.234 12.870 -2.991 1.00 52.11 C ATOM 1551 O SER A 93 -5.286 13.255 -1.820 1.00 73.54 O ATOM 1552 CB SER A 93 -5.757 14.607 -4.785 1.00 62.12 C ATOM 1553 OG SER A 93 -6.412 15.475 -3.882 1.00 54.41 O ATOM 0 H SER A 93 -4.273 13.119 -6.039 1.00 62.32 H new ATOM 0 HA SER A 93 -3.949 14.471 -3.590 1.00 70.35 H new ATOM 0 HB2 SER A 93 -5.327 15.188 -5.601 1.00 62.12 H new ATOM 0 HB3 SER A 93 -6.484 13.926 -5.227 1.00 62.12 H new ATOM 0 HG SER A 93 -7.109 15.975 -4.356 1.00 54.41 H new ATOM 1559 N ASN A 94 -5.664 11.655 -3.401 1.00 74.25 N ATOM 1560 CA ASN A 94 -6.239 10.619 -2.495 1.00 32.22 C ATOM 1561 C ASN A 94 -5.202 10.099 -1.483 1.00 23.31 C ATOM 1562 O ASN A 94 -5.560 9.611 -0.409 1.00 44.34 O ATOM 1563 CB ASN A 94 -6.765 9.409 -3.317 1.00 50.04 C ATOM 1564 CG ASN A 94 -7.847 9.755 -4.344 1.00 14.52 C ATOM 1565 OD1 ASN A 94 -7.944 10.884 -4.816 1.00 72.54 O ATOM 1566 ND2 ASN A 94 -8.641 8.767 -4.729 1.00 5.34 N ATOM 0 H ASN A 94 -5.624 11.358 -4.376 1.00 74.25 H new ATOM 0 HA ASN A 94 -7.055 11.096 -1.953 1.00 32.22 H new ATOM 0 HB2 ASN A 94 -5.925 8.947 -3.836 1.00 50.04 H new ATOM 0 HB3 ASN A 94 -7.162 8.664 -2.628 1.00 50.04 H new ATOM 0 HD21 ASN A 94 -9.357 8.934 -5.436 1.00 5.34 H new ATOM 0 HD22 ASN A 94 -8.536 7.839 -4.318 1.00 5.34 H new ATOM 1573 N VAL A 95 -3.929 10.183 -1.871 1.00 11.02 N ATOM 1574 CA VAL A 95 -2.790 9.696 -1.080 1.00 0.32 C ATOM 1575 C VAL A 95 -2.273 10.837 -0.181 1.00 62.12 C ATOM 1576 O VAL A 95 -1.865 11.881 -0.690 1.00 32.25 O ATOM 1577 CB VAL A 95 -1.654 9.187 -2.046 1.00 43.22 C ATOM 1578 CG1 VAL A 95 -0.457 8.588 -1.274 1.00 21.25 C ATOM 1579 CG2 VAL A 95 -2.227 8.182 -3.074 1.00 24.15 C ATOM 0 H VAL A 95 -3.652 10.599 -2.760 1.00 11.02 H new ATOM 0 HA VAL A 95 -3.103 8.864 -0.449 1.00 0.32 H new ATOM 0 HB VAL A 95 -1.271 10.051 -2.589 1.00 43.22 H new ATOM 0 HG11 VAL A 95 0.300 8.251 -1.982 1.00 21.25 H new ATOM 0 HG12 VAL A 95 -0.029 9.347 -0.619 1.00 21.25 H new ATOM 0 HG13 VAL A 95 -0.796 7.743 -0.676 1.00 21.25 H new ATOM 0 HG21 VAL A 95 -1.429 7.841 -3.733 1.00 24.15 H new ATOM 0 HG22 VAL A 95 -2.654 7.328 -2.549 1.00 24.15 H new ATOM 0 HG23 VAL A 95 -3.003 8.669 -3.665 1.00 24.15 H new ATOM 1589 N THR A 96 -2.336 10.646 1.151 1.00 40.42 N ATOM 1590 CA THR A 96 -1.886 11.642 2.140 1.00 33.13 C ATOM 1591 C THR A 96 -1.045 10.955 3.233 1.00 31.41 C ATOM 1592 O THR A 96 -1.587 10.236 4.070 1.00 40.54 O ATOM 1593 CB THR A 96 -3.112 12.370 2.797 1.00 23.32 C ATOM 1594 OG1 THR A 96 -4.003 12.837 1.773 1.00 52.04 O ATOM 1595 CG2 THR A 96 -2.684 13.560 3.678 1.00 4.43 C ATOM 0 H THR A 96 -2.702 9.792 1.572 1.00 40.42 H new ATOM 0 HA THR A 96 -1.276 12.384 1.625 1.00 33.13 H new ATOM 0 HB THR A 96 -3.613 11.645 3.438 1.00 23.32 H new ATOM 0 HG1 THR A 96 -4.768 13.289 2.186 1.00 52.04 H new ATOM 0 HG21 THR A 96 -3.568 14.030 4.109 1.00 4.43 H new ATOM 0 HG22 THR A 96 -2.035 13.205 4.478 1.00 4.43 H new ATOM 0 HG23 THR A 96 -2.146 14.288 3.070 1.00 4.43 H new ATOM 1603 N TRP A 97 0.279 11.173 3.203 1.00 20.35 N ATOM 1604 CA TRP A 97 1.195 10.652 4.231 1.00 41.21 C ATOM 1605 C TRP A 97 0.955 11.374 5.572 1.00 25.13 C ATOM 1606 O TRP A 97 1.245 12.566 5.706 1.00 15.03 O ATOM 1607 CB TRP A 97 2.667 10.811 3.771 1.00 20.31 C ATOM 1608 CG TRP A 97 3.058 9.864 2.651 1.00 14.25 C ATOM 1609 CD1 TRP A 97 2.794 9.991 1.309 1.00 61.32 C ATOM 1610 CD2 TRP A 97 3.781 8.628 2.796 1.00 21.32 C ATOM 1611 NE1 TRP A 97 3.302 8.909 0.626 1.00 53.04 N ATOM 1612 CE2 TRP A 97 3.918 8.066 1.518 1.00 3.35 C ATOM 1613 CE3 TRP A 97 4.322 7.944 3.893 1.00 0.43 C ATOM 1614 CZ2 TRP A 97 4.581 6.856 1.306 1.00 70.24 C ATOM 1615 CZ3 TRP A 97 4.981 6.745 3.680 1.00 13.12 C ATOM 1616 CH2 TRP A 97 5.102 6.210 2.395 1.00 41.35 C ATOM 0 H TRP A 97 0.743 11.711 2.471 1.00 20.35 H new ATOM 0 HA TRP A 97 0.998 9.590 4.375 1.00 41.21 H new ATOM 0 HB2 TRP A 97 2.827 11.837 3.441 1.00 20.31 H new ATOM 0 HB3 TRP A 97 3.326 10.644 4.623 1.00 20.31 H new ATOM 0 HD1 TRP A 97 2.266 10.817 0.857 1.00 61.32 H new ATOM 0 HE1 TRP A 97 3.232 8.758 -0.380 1.00 53.04 H new ATOM 0 HE3 TRP A 97 4.226 8.346 4.891 1.00 0.43 H new ATOM 0 HZ2 TRP A 97 4.680 6.442 0.313 1.00 70.24 H new ATOM 0 HZ3 TRP A 97 5.408 6.216 4.519 1.00 13.12 H new ATOM 0 HH2 TRP A 97 5.616 5.270 2.258 1.00 41.35 H new ATOM 1627 N ASP A 98 0.394 10.644 6.546 1.00 43.45 N ATOM 1628 CA ASP A 98 0.140 11.153 7.906 1.00 74.00 C ATOM 1629 C ASP A 98 1.144 10.488 8.856 1.00 52.25 C ATOM 1630 O ASP A 98 0.937 9.340 9.272 1.00 4.41 O ATOM 1631 CB ASP A 98 -1.323 10.842 8.339 1.00 20.32 C ATOM 1632 CG ASP A 98 -1.675 11.399 9.736 1.00 42.21 C ATOM 1633 OD1 ASP A 98 -2.142 12.554 9.830 1.00 52.54 O ATOM 1634 OD2 ASP A 98 -1.482 10.685 10.753 1.00 73.31 O ATOM 0 H ASP A 98 0.101 9.676 6.414 1.00 43.45 H new ATOM 0 HA ASP A 98 0.265 12.235 7.934 1.00 74.00 H new ATOM 0 HB2 ASP A 98 -2.010 11.262 7.604 1.00 20.32 H new ATOM 0 HB3 ASP A 98 -1.474 9.763 8.337 1.00 20.32 H new ATOM 1639 N GLY A 99 2.247 11.197 9.145 1.00 24.13 N ATOM 1640 CA GLY A 99 3.315 10.689 10.007 1.00 12.54 C ATOM 1641 C GLY A 99 4.078 9.534 9.368 1.00 52.12 C ATOM 1642 O GLY A 99 4.630 9.690 8.275 1.00 11.52 O ATOM 0 H GLY A 99 2.419 12.136 8.786 1.00 24.13 H new ATOM 0 HA2 GLY A 99 4.009 11.498 10.235 1.00 12.54 H new ATOM 0 HA3 GLY A 99 2.888 10.359 10.954 1.00 12.54 H new ATOM 1646 N ASP A 100 4.061 8.373 10.042 1.00 13.12 N ATOM 1647 CA ASP A 100 4.772 7.141 9.619 1.00 45.34 C ATOM 1648 C ASP A 100 3.967 6.406 8.516 1.00 72.32 C ATOM 1649 O ASP A 100 4.532 5.777 7.615 1.00 12.50 O ATOM 1650 CB ASP A 100 4.957 6.212 10.867 1.00 73.42 C ATOM 1651 CG ASP A 100 6.011 5.086 10.708 1.00 22.51 C ATOM 1652 OD1 ASP A 100 5.970 4.330 9.716 1.00 51.03 O ATOM 1653 OD2 ASP A 100 6.859 4.917 11.617 1.00 43.44 O ATOM 0 H ASP A 100 3.545 8.255 10.914 1.00 13.12 H new ATOM 0 HA ASP A 100 5.747 7.403 9.209 1.00 45.34 H new ATOM 0 HB2 ASP A 100 5.236 6.830 11.720 1.00 73.42 H new ATOM 0 HB3 ASP A 100 3.996 5.756 11.105 1.00 73.42 H new ATOM 1658 N THR A 101 2.641 6.519 8.607 1.00 13.43 N ATOM 1659 CA THR A 101 1.693 5.728 7.809 1.00 42.32 C ATOM 1660 C THR A 101 1.065 6.605 6.709 1.00 52.31 C ATOM 1661 O THR A 101 0.900 7.809 6.901 1.00 0.34 O ATOM 1662 CB THR A 101 0.588 5.153 8.754 1.00 64.42 C ATOM 1663 OG1 THR A 101 1.210 4.518 9.891 1.00 71.22 O ATOM 1664 CG2 THR A 101 -0.316 4.133 8.046 1.00 71.45 C ATOM 0 H THR A 101 2.185 7.171 9.245 1.00 13.43 H new ATOM 0 HA THR A 101 2.217 4.903 7.326 1.00 42.32 H new ATOM 0 HB THR A 101 -0.036 5.989 9.069 1.00 64.42 H new ATOM 0 HG1 THR A 101 0.518 4.159 10.484 1.00 71.22 H new ATOM 0 HG21 THR A 101 -1.066 3.764 8.746 1.00 71.45 H new ATOM 0 HG22 THR A 101 -0.812 4.611 7.201 1.00 71.45 H new ATOM 0 HG23 THR A 101 0.287 3.299 7.688 1.00 71.45 H new ATOM 1672 N VAL A 102 0.721 6.004 5.560 1.00 44.32 N ATOM 1673 CA VAL A 102 0.074 6.721 4.451 1.00 51.11 C ATOM 1674 C VAL A 102 -1.433 6.373 4.403 1.00 4.02 C ATOM 1675 O VAL A 102 -1.831 5.212 4.575 1.00 3.14 O ATOM 1676 CB VAL A 102 0.775 6.432 3.067 1.00 51.12 C ATOM 1677 CG1 VAL A 102 0.719 4.946 2.653 1.00 13.15 C ATOM 1678 CG2 VAL A 102 0.212 7.348 1.961 1.00 62.45 C ATOM 0 H VAL A 102 0.882 5.014 5.374 1.00 44.32 H new ATOM 0 HA VAL A 102 0.181 7.790 4.635 1.00 51.11 H new ATOM 0 HB VAL A 102 1.831 6.664 3.202 1.00 51.12 H new ATOM 0 HG11 VAL A 102 1.219 4.817 1.693 1.00 13.15 H new ATOM 0 HG12 VAL A 102 1.220 4.339 3.407 1.00 13.15 H new ATOM 0 HG13 VAL A 102 -0.321 4.632 2.566 1.00 13.15 H new ATOM 0 HG21 VAL A 102 0.712 7.129 1.017 1.00 62.45 H new ATOM 0 HG22 VAL A 102 -0.859 7.173 1.854 1.00 62.45 H new ATOM 0 HG23 VAL A 102 0.384 8.390 2.229 1.00 62.45 H new ATOM 1688 N THR A 103 -2.249 7.410 4.200 1.00 44.43 N ATOM 1689 CA THR A 103 -3.706 7.338 4.112 1.00 41.10 C ATOM 1690 C THR A 103 -4.105 7.456 2.628 1.00 23.11 C ATOM 1691 O THR A 103 -4.076 8.546 2.066 1.00 24.40 O ATOM 1692 CB THR A 103 -4.333 8.518 4.941 1.00 2.14 C ATOM 1693 OG1 THR A 103 -3.789 8.527 6.274 1.00 70.53 O ATOM 1694 CG2 THR A 103 -5.863 8.439 5.014 1.00 62.32 C ATOM 0 H THR A 103 -1.896 8.361 4.088 1.00 44.43 H new ATOM 0 HA THR A 103 -4.072 6.394 4.516 1.00 41.10 H new ATOM 0 HB THR A 103 -4.076 9.442 4.423 1.00 2.14 H new ATOM 0 HG1 THR A 103 -4.183 9.266 6.783 1.00 70.53 H new ATOM 0 HG21 THR A 103 -6.243 9.277 5.598 1.00 62.32 H new ATOM 0 HG22 THR A 103 -6.278 8.480 4.007 1.00 62.32 H new ATOM 0 HG23 THR A 103 -6.157 7.503 5.489 1.00 62.32 H new ATOM 1702 N VAL A 104 -4.397 6.325 1.987 1.00 34.10 N ATOM 1703 CA VAL A 104 -4.787 6.279 0.564 1.00 31.14 C ATOM 1704 C VAL A 104 -6.272 5.940 0.487 1.00 51.43 C ATOM 1705 O VAL A 104 -6.661 4.814 0.793 1.00 1.11 O ATOM 1706 CB VAL A 104 -3.945 5.191 -0.212 1.00 62.43 C ATOM 1707 CG1 VAL A 104 -4.257 5.196 -1.733 1.00 42.20 C ATOM 1708 CG2 VAL A 104 -2.440 5.392 0.066 1.00 54.32 C ATOM 0 H VAL A 104 -4.372 5.409 2.434 1.00 34.10 H new ATOM 0 HA VAL A 104 -4.593 7.246 0.100 1.00 31.14 H new ATOM 0 HB VAL A 104 -4.233 4.207 0.157 1.00 62.43 H new ATOM 0 HG11 VAL A 104 -3.657 4.433 -2.230 1.00 42.20 H new ATOM 0 HG12 VAL A 104 -5.315 4.984 -1.888 1.00 42.20 H new ATOM 0 HG13 VAL A 104 -4.018 6.174 -2.150 1.00 42.20 H new ATOM 0 HG21 VAL A 104 -1.867 4.638 -0.473 1.00 54.32 H new ATOM 0 HG22 VAL A 104 -2.138 6.385 -0.268 1.00 54.32 H new ATOM 0 HG23 VAL A 104 -2.251 5.296 1.135 1.00 54.32 H new ATOM 1718 N GLU A 105 -7.105 6.911 0.091 1.00 44.12 N ATOM 1719 CA GLU A 105 -8.566 6.724 0.049 1.00 73.41 C ATOM 1720 C GLU A 105 -9.030 6.592 -1.398 1.00 71.54 C ATOM 1721 O GLU A 105 -9.039 7.572 -2.143 1.00 22.15 O ATOM 1722 CB GLU A 105 -9.284 7.907 0.747 1.00 20.14 C ATOM 1723 CG GLU A 105 -8.893 8.083 2.222 1.00 11.32 C ATOM 1724 CD GLU A 105 -9.671 9.206 2.900 1.00 3.53 C ATOM 1725 OE1 GLU A 105 -10.782 8.945 3.413 1.00 43.14 O ATOM 1726 OE2 GLU A 105 -9.198 10.357 2.897 1.00 51.22 O ATOM 0 H GLU A 105 -6.794 7.836 -0.206 1.00 44.12 H new ATOM 0 HA GLU A 105 -8.821 5.809 0.584 1.00 73.41 H new ATOM 0 HB2 GLU A 105 -9.057 8.827 0.208 1.00 20.14 H new ATOM 0 HB3 GLU A 105 -10.362 7.756 0.681 1.00 20.14 H new ATOM 0 HG2 GLU A 105 -9.069 7.149 2.756 1.00 11.32 H new ATOM 0 HG3 GLU A 105 -7.825 8.292 2.290 1.00 11.32 H new ATOM 1733 N GLY A 106 -9.446 5.383 -1.774 1.00 22.35 N ATOM 1734 CA GLY A 106 -9.935 5.105 -3.117 1.00 70.54 C ATOM 1735 C GLY A 106 -11.397 4.724 -3.081 1.00 40.15 C ATOM 1736 O GLY A 106 -11.825 3.986 -2.190 1.00 31.34 O ATOM 0 H GLY A 106 -9.452 4.572 -1.155 1.00 22.35 H new ATOM 0 HA2 GLY A 106 -9.797 5.982 -3.749 1.00 70.54 H new ATOM 0 HA3 GLY A 106 -9.354 4.297 -3.562 1.00 70.54 H new ATOM 1740 N GLN A 107 -12.176 5.252 -4.024 1.00 21.33 N ATOM 1741 CA GLN A 107 -13.577 4.859 -4.205 1.00 51.32 C ATOM 1742 C GLN A 107 -13.634 3.651 -5.146 1.00 65.12 C ATOM 1743 O GLN A 107 -12.862 3.579 -6.116 1.00 64.00 O ATOM 1744 CB GLN A 107 -14.427 6.059 -4.722 1.00 54.23 C ATOM 1745 CG GLN A 107 -13.913 6.745 -6.010 1.00 1.24 C ATOM 1746 CD GLN A 107 -14.741 7.974 -6.418 1.00 74.21 C ATOM 1747 OE1 GLN A 107 -15.306 8.673 -5.571 1.00 72.13 O ATOM 1748 NE2 GLN A 107 -14.815 8.249 -7.711 1.00 51.42 N ATOM 0 H GLN A 107 -11.857 5.962 -4.683 1.00 21.33 H new ATOM 0 HA GLN A 107 -14.011 4.569 -3.248 1.00 51.32 H new ATOM 0 HB2 GLN A 107 -15.444 5.709 -4.901 1.00 54.23 H new ATOM 0 HB3 GLN A 107 -14.482 6.808 -3.932 1.00 54.23 H new ATOM 0 HG2 GLN A 107 -12.876 7.047 -5.863 1.00 1.24 H new ATOM 0 HG3 GLN A 107 -13.922 6.023 -6.826 1.00 1.24 H new ATOM 0 HE21 GLN A 107 -14.338 7.653 -8.387 1.00 51.42 H new ATOM 0 HE22 GLN A 107 -15.349 9.057 -8.031 1.00 51.42 H new ATOM 1757 N LEU A 108 -14.516 2.681 -4.837 1.00 72.13 N ATOM 1758 CA LEU A 108 -14.637 1.441 -5.624 1.00 21.23 C ATOM 1759 C LEU A 108 -15.326 1.682 -6.972 1.00 45.53 C ATOM 1760 O LEU A 108 -16.042 2.676 -7.164 1.00 20.15 O ATOM 1761 CB LEU A 108 -15.416 0.336 -4.843 1.00 31.03 C ATOM 1762 CG LEU A 108 -14.663 -0.357 -3.663 1.00 5.03 C ATOM 1763 CD1 LEU A 108 -15.532 -1.468 -3.036 1.00 33.22 C ATOM 1764 CD2 LEU A 108 -13.300 -0.917 -4.120 1.00 12.24 C ATOM 0 H LEU A 108 -15.157 2.734 -4.045 1.00 72.13 H new ATOM 0 HA LEU A 108 -13.618 1.099 -5.806 1.00 21.23 H new ATOM 0 HB2 LEU A 108 -16.330 0.780 -4.449 1.00 31.03 H new ATOM 0 HB3 LEU A 108 -15.716 -0.434 -5.553 1.00 31.03 H new ATOM 0 HG LEU A 108 -14.472 0.398 -2.900 1.00 5.03 H new ATOM 0 HD11 LEU A 108 -14.987 -1.937 -2.216 1.00 33.22 H new ATOM 0 HD12 LEU A 108 -16.458 -1.035 -2.656 1.00 33.22 H new ATOM 0 HD13 LEU A 108 -15.766 -2.218 -3.792 1.00 33.22 H new ATOM 0 HD21 LEU A 108 -12.801 -1.393 -3.276 1.00 12.24 H new ATOM 0 HD22 LEU A 108 -13.455 -1.651 -4.911 1.00 12.24 H new ATOM 0 HD23 LEU A 108 -12.680 -0.103 -4.496 1.00 12.24 H new ATOM 1776 N GLU A 109 -15.064 0.749 -7.899 1.00 43.41 N ATOM 1777 CA GLU A 109 -15.850 0.573 -9.130 1.00 30.12 C ATOM 1778 C GLU A 109 -17.303 0.175 -8.778 1.00 4.11 C ATOM 1779 O GLU A 109 -18.255 0.595 -9.447 1.00 71.31 O ATOM 1780 CB GLU A 109 -15.172 -0.501 -10.028 1.00 43.33 C ATOM 1781 CG GLU A 109 -14.958 -1.873 -9.348 1.00 70.11 C ATOM 1782 CD GLU A 109 -14.144 -2.856 -10.202 1.00 61.44 C ATOM 1783 OE1 GLU A 109 -14.673 -3.345 -11.222 1.00 21.50 O ATOM 1784 OE2 GLU A 109 -12.971 -3.149 -9.858 1.00 61.02 O ATOM 0 H GLU A 109 -14.292 0.088 -7.815 1.00 43.41 H new ATOM 0 HA GLU A 109 -15.885 1.512 -9.682 1.00 30.12 H new ATOM 0 HB2 GLU A 109 -15.781 -0.645 -10.921 1.00 43.33 H new ATOM 0 HB3 GLU A 109 -14.206 -0.120 -10.359 1.00 43.33 H new ATOM 0 HG2 GLU A 109 -14.449 -1.723 -8.396 1.00 70.11 H new ATOM 0 HG3 GLU A 109 -15.929 -2.315 -9.125 1.00 70.11 H new ATOM 1791 N GLY A 110 -17.430 -0.624 -7.688 1.00 50.21 N ATOM 1792 CA GLY A 110 -18.706 -1.124 -7.198 1.00 73.14 C ATOM 1793 C GLY A 110 -19.350 -2.126 -8.151 1.00 74.34 C ATOM 1794 O GLY A 110 -18.718 -2.546 -9.132 1.00 30.44 O ATOM 0 H GLY A 110 -16.633 -0.932 -7.131 1.00 50.21 H new ATOM 0 HA2 GLY A 110 -18.558 -1.596 -6.227 1.00 73.14 H new ATOM 0 HA3 GLY A 110 -19.386 -0.286 -7.045 1.00 73.14 H new ATOM 1798 N VAL A 111 -20.616 -2.491 -7.842 1.00 74.23 N ATOM 1799 CA VAL A 111 -21.494 -3.385 -8.652 1.00 51.41 C ATOM 1800 C VAL A 111 -21.058 -4.878 -8.573 1.00 14.42 C ATOM 1801 O VAL A 111 -21.857 -5.759 -8.205 1.00 43.04 O ATOM 1802 CB VAL A 111 -21.619 -2.930 -10.167 1.00 23.01 C ATOM 1803 CG1 VAL A 111 -22.596 -3.832 -10.968 1.00 11.22 C ATOM 1804 CG2 VAL A 111 -22.029 -1.436 -10.261 1.00 41.02 C ATOM 0 H VAL A 111 -21.076 -2.163 -6.993 1.00 74.23 H new ATOM 0 HA VAL A 111 -22.482 -3.294 -8.200 1.00 51.41 H new ATOM 0 HB VAL A 111 -20.636 -3.044 -10.623 1.00 23.01 H new ATOM 0 HG11 VAL A 111 -22.650 -3.484 -11.999 1.00 11.22 H new ATOM 0 HG12 VAL A 111 -22.238 -4.861 -10.951 1.00 11.22 H new ATOM 0 HG13 VAL A 111 -23.587 -3.785 -10.517 1.00 11.22 H new ATOM 0 HG21 VAL A 111 -22.109 -1.146 -11.309 1.00 41.02 H new ATOM 0 HG22 VAL A 111 -22.991 -1.291 -9.770 1.00 41.02 H new ATOM 0 HG23 VAL A 111 -21.275 -0.820 -9.770 1.00 41.02 H new ATOM 1814 N ASP A 112 -19.801 -5.120 -8.972 1.00 72.13 N ATOM 1815 CA ASP A 112 -19.128 -6.432 -8.993 1.00 20.12 C ATOM 1816 C ASP A 112 -19.172 -7.143 -7.612 1.00 72.14 C ATOM 1817 O ASP A 112 -18.468 -6.755 -6.674 1.00 73.22 O ATOM 1818 CB ASP A 112 -17.654 -6.226 -9.471 1.00 62.10 C ATOM 1819 CG ASP A 112 -16.881 -7.542 -9.640 1.00 5.43 C ATOM 1820 OD1 ASP A 112 -17.215 -8.320 -10.563 1.00 74.11 O ATOM 1821 OD2 ASP A 112 -15.941 -7.818 -8.858 1.00 74.13 O ATOM 0 H ASP A 112 -19.194 -4.371 -9.306 1.00 72.13 H new ATOM 0 HA ASP A 112 -19.659 -7.086 -9.685 1.00 20.12 H new ATOM 0 HB2 ASP A 112 -17.659 -5.691 -10.421 1.00 62.10 H new ATOM 0 HB3 ASP A 112 -17.131 -5.595 -8.752 1.00 62.10 H new ATOM 1826 N LEU A 113 -20.062 -8.146 -7.507 1.00 10.12 N ATOM 1827 CA LEU A 113 -20.178 -9.053 -6.343 1.00 3.11 C ATOM 1828 C LEU A 113 -19.754 -10.469 -6.782 1.00 3.24 C ATOM 1829 O LEU A 113 -19.958 -10.839 -7.950 1.00 74.12 O ATOM 1830 CB LEU A 113 -21.645 -9.060 -5.819 1.00 62.32 C ATOM 1831 CG LEU A 113 -22.230 -7.683 -5.362 1.00 2.32 C ATOM 1832 CD1 LEU A 113 -23.736 -7.790 -5.031 1.00 55.04 C ATOM 1833 CD2 LEU A 113 -21.440 -7.104 -4.167 1.00 65.13 C ATOM 0 H LEU A 113 -20.737 -8.356 -8.243 1.00 10.12 H new ATOM 0 HA LEU A 113 -19.531 -8.712 -5.535 1.00 3.11 H new ATOM 0 HB2 LEU A 113 -22.286 -9.459 -6.605 1.00 62.32 H new ATOM 0 HB3 LEU A 113 -21.704 -9.751 -4.978 1.00 62.32 H new ATOM 0 HG LEU A 113 -22.123 -6.992 -6.198 1.00 2.32 H new ATOM 0 HD11 LEU A 113 -24.110 -6.815 -4.717 1.00 55.04 H new ATOM 0 HD12 LEU A 113 -24.280 -8.120 -5.916 1.00 55.04 H new ATOM 0 HD13 LEU A 113 -23.881 -8.511 -4.226 1.00 55.04 H new ATOM 0 HD21 LEU A 113 -21.872 -6.147 -3.874 1.00 65.13 H new ATOM 0 HD22 LEU A 113 -21.491 -7.797 -3.327 1.00 65.13 H new ATOM 0 HD23 LEU A 113 -20.399 -6.959 -4.455 1.00 65.13 H new ATOM 1845 N GLU A 114 -19.186 -11.261 -5.851 1.00 4.12 N ATOM 1846 CA GLU A 114 -18.616 -12.590 -6.170 1.00 20.03 C ATOM 1847 C GLU A 114 -19.707 -13.627 -6.500 1.00 21.23 C ATOM 1848 O GLU A 114 -20.819 -13.571 -5.965 1.00 72.54 O ATOM 1849 CB GLU A 114 -17.744 -13.120 -4.998 1.00 13.31 C ATOM 1850 CG GLU A 114 -18.502 -13.444 -3.692 1.00 32.12 C ATOM 1851 CD GLU A 114 -17.607 -14.057 -2.598 1.00 64.51 C ATOM 1852 OE1 GLU A 114 -16.675 -13.374 -2.142 1.00 40.22 O ATOM 1853 OE2 GLU A 114 -17.824 -15.219 -2.196 1.00 55.15 O ATOM 0 H GLU A 114 -19.109 -11.004 -4.867 1.00 4.12 H new ATOM 0 HA GLU A 114 -17.994 -12.454 -7.054 1.00 20.03 H new ATOM 0 HB2 GLU A 114 -17.230 -14.021 -5.331 1.00 13.31 H new ATOM 0 HB3 GLU A 114 -16.976 -12.379 -4.776 1.00 13.31 H new ATOM 0 HG2 GLU A 114 -18.956 -12.530 -3.309 1.00 32.12 H new ATOM 0 HG3 GLU A 114 -19.315 -14.135 -3.915 1.00 32.12 H new ATOM 1860 N HIS A 115 -19.372 -14.578 -7.389 1.00 40.31 N ATOM 1861 CA HIS A 115 -20.185 -15.795 -7.621 1.00 74.34 C ATOM 1862 C HIS A 115 -19.494 -17.001 -6.933 1.00 25.31 C ATOM 1863 O HIS A 115 -19.782 -18.164 -7.232 1.00 50.50 O ATOM 1864 CB HIS A 115 -20.387 -16.015 -9.152 1.00 31.51 C ATOM 1865 CG HIS A 115 -21.367 -17.098 -9.530 1.00 4.51 C ATOM 1866 ND1 HIS A 115 -21.164 -17.969 -10.582 1.00 33.03 N ATOM 1867 CD2 HIS A 115 -22.572 -17.434 -9.006 1.00 4.04 C ATOM 1868 CE1 HIS A 115 -22.187 -18.792 -10.673 1.00 41.10 C ATOM 1869 NE2 HIS A 115 -23.056 -18.489 -9.730 1.00 44.42 N ATOM 0 H HIS A 115 -18.533 -14.530 -7.968 1.00 40.31 H new ATOM 0 HA HIS A 115 -21.177 -15.683 -7.184 1.00 74.34 H new ATOM 0 HB2 HIS A 115 -20.721 -15.077 -9.595 1.00 31.51 H new ATOM 0 HB3 HIS A 115 -19.421 -16.252 -9.598 1.00 31.51 H new ATOM 0 HD2 HIS A 115 -23.060 -16.956 -8.170 1.00 4.04 H new ATOM 0 HE1 HIS A 115 -22.296 -19.584 -11.399 1.00 41.10 H new ATOM 0 HE2 HIS A 115 -23.944 -18.963 -9.567 1.00 44.42 H new ATOM 1878 N HIS A 116 -18.587 -16.703 -5.980 1.00 52.41 N ATOM 1879 CA HIS A 116 -17.902 -17.721 -5.165 1.00 24.05 C ATOM 1880 C HIS A 116 -18.772 -18.098 -3.951 1.00 35.22 C ATOM 1881 O HIS A 116 -19.576 -17.289 -3.472 1.00 54.43 O ATOM 1882 CB HIS A 116 -16.512 -17.212 -4.681 1.00 42.32 C ATOM 1883 CG HIS A 116 -15.541 -16.877 -5.786 1.00 51.32 C ATOM 1884 ND1 HIS A 116 -14.799 -17.830 -6.458 1.00 30.22 N ATOM 1885 CD2 HIS A 116 -15.188 -15.689 -6.333 1.00 45.04 C ATOM 1886 CE1 HIS A 116 -14.043 -17.239 -7.363 1.00 63.34 C ATOM 1887 NE2 HIS A 116 -14.262 -15.945 -7.307 1.00 34.33 N ATOM 0 H HIS A 116 -18.310 -15.747 -5.755 1.00 52.41 H new ATOM 0 HA HIS A 116 -17.745 -18.602 -5.787 1.00 24.05 H new ATOM 0 HB2 HIS A 116 -16.660 -16.325 -4.065 1.00 42.32 H new ATOM 0 HB3 HIS A 116 -16.065 -17.973 -4.042 1.00 42.32 H new ATOM 0 HD2 HIS A 116 -15.568 -14.718 -6.052 1.00 45.04 H new ATOM 0 HE1 HIS A 116 -13.360 -17.735 -8.036 1.00 63.34 H new ATOM 0 HE2 HIS A 116 -13.813 -15.243 -7.896 1.00 34.33 H new ATOM 1896 N HIS A 117 -18.601 -19.338 -3.485 1.00 1.03 N ATOM 1897 CA HIS A 117 -19.272 -19.869 -2.277 1.00 5.11 C ATOM 1898 C HIS A 117 -18.338 -20.901 -1.619 1.00 52.31 C ATOM 1899 O HIS A 117 -18.770 -21.891 -1.014 1.00 13.51 O ATOM 1900 CB HIS A 117 -20.660 -20.472 -2.652 1.00 63.42 C ATOM 1901 CG HIS A 117 -21.526 -20.860 -1.475 1.00 45.22 C ATOM 1902 ND1 HIS A 117 -22.022 -19.950 -0.566 1.00 53.25 N ATOM 1903 CD2 HIS A 117 -21.964 -22.073 -1.052 1.00 24.13 C ATOM 1904 CE1 HIS A 117 -22.713 -20.584 0.357 1.00 12.34 C ATOM 1905 NE2 HIS A 117 -22.694 -21.872 0.088 1.00 2.44 N ATOM 0 H HIS A 117 -17.987 -20.016 -3.936 1.00 1.03 H new ATOM 0 HA HIS A 117 -19.466 -19.072 -1.559 1.00 5.11 H new ATOM 0 HB2 HIS A 117 -21.202 -19.747 -3.260 1.00 63.42 H new ATOM 0 HB3 HIS A 117 -20.501 -21.353 -3.273 1.00 63.42 H new ATOM 0 HD2 HIS A 117 -21.772 -23.023 -1.528 1.00 24.13 H new ATOM 0 HE1 HIS A 117 -23.213 -20.124 1.196 1.00 12.34 H new ATOM 0 HE2 HIS A 117 -23.149 -22.601 0.638 1.00 2.44 H new ATOM 1914 N HIS A 118 -17.026 -20.622 -1.716 1.00 55.15 N ATOM 1915 CA HIS A 118 -15.973 -21.474 -1.133 1.00 72.44 C ATOM 1916 C HIS A 118 -16.017 -21.402 0.408 1.00 52.43 C ATOM 1917 O HIS A 118 -15.498 -22.292 1.086 1.00 35.41 O ATOM 1918 CB HIS A 118 -14.579 -21.047 -1.672 1.00 34.45 C ATOM 1919 CG HIS A 118 -13.500 -22.094 -1.515 1.00 64.22 C ATOM 1920 ND1 HIS A 118 -13.291 -23.090 -2.449 1.00 45.33 N ATOM 1921 CD2 HIS A 118 -12.568 -22.298 -0.547 1.00 63.34 C ATOM 1922 CE1 HIS A 118 -12.293 -23.853 -2.064 1.00 52.34 C ATOM 1923 NE2 HIS A 118 -11.838 -23.398 -0.916 1.00 13.12 N ATOM 0 H HIS A 118 -16.665 -19.800 -2.200 1.00 55.15 H new ATOM 0 HA HIS A 118 -16.150 -22.508 -1.428 1.00 72.44 H new ATOM 0 HB2 HIS A 118 -14.673 -20.796 -2.728 1.00 34.45 H new ATOM 0 HB3 HIS A 118 -14.266 -20.140 -1.155 1.00 34.45 H new ATOM 0 HD2 HIS A 118 -12.429 -21.705 0.345 1.00 63.34 H new ATOM 0 HE1 HIS A 118 -11.910 -24.709 -2.599 1.00 52.34 H new ATOM 0 HE2 HIS A 118 -11.065 -23.800 -0.385 1.00 13.12 H new ATOM 1932 N HIS A 119 -16.640 -20.323 0.930 1.00 74.34 N ATOM 1933 CA HIS A 119 -16.905 -20.142 2.361 1.00 50.54 C ATOM 1934 C HIS A 119 -17.841 -21.258 2.883 1.00 32.23 C ATOM 1935 O HIS A 119 -18.992 -21.371 2.442 1.00 44.55 O ATOM 1936 CB HIS A 119 -17.540 -18.749 2.623 1.00 1.30 C ATOM 1937 CG HIS A 119 -17.715 -18.417 4.087 1.00 23.45 C ATOM 1938 ND1 HIS A 119 -18.778 -18.861 4.847 1.00 75.00 N ATOM 1939 CD2 HIS A 119 -16.929 -17.716 4.937 1.00 20.24 C ATOM 1940 CE1 HIS A 119 -18.629 -18.454 6.091 1.00 10.42 C ATOM 1941 NE2 HIS A 119 -17.517 -17.760 6.172 1.00 32.21 N ATOM 0 H HIS A 119 -16.974 -19.548 0.357 1.00 74.34 H new ATOM 0 HA HIS A 119 -15.957 -20.201 2.896 1.00 50.54 H new ATOM 0 HB2 HIS A 119 -16.916 -17.984 2.160 1.00 1.30 H new ATOM 0 HB3 HIS A 119 -18.513 -18.707 2.133 1.00 1.30 H new ATOM 0 HD2 HIS A 119 -16.006 -17.214 4.686 1.00 20.24 H new ATOM 0 HE1 HIS A 119 -19.307 -18.657 6.907 1.00 10.42 H new ATOM 0 HE2 HIS A 119 -17.151 -17.324 7.018 1.00 32.21 H new ATOM 1950 N HIS A 120 -17.314 -22.082 3.795 1.00 52.30 N ATOM 1951 CA HIS A 120 -18.061 -23.135 4.500 1.00 31.35 C ATOM 1952 C HIS A 120 -18.548 -22.580 5.857 1.00 13.53 C ATOM 1953 O HIS A 120 -19.765 -22.379 6.036 1.00 21.33 O ATOM 1954 CB HIS A 120 -17.172 -24.409 4.685 1.00 43.00 C ATOM 1955 CG HIS A 120 -17.126 -25.312 3.474 1.00 62.54 C ATOM 1956 ND1 HIS A 120 -17.157 -26.683 3.567 1.00 3.03 N ATOM 1957 CD2 HIS A 120 -17.079 -25.035 2.142 1.00 61.40 C ATOM 1958 CE1 HIS A 120 -17.139 -27.209 2.363 1.00 43.14 C ATOM 1959 NE2 HIS A 120 -17.093 -26.235 1.479 1.00 55.34 N ATOM 1960 OXT HIS A 120 -17.693 -22.291 6.721 1.00 37.56 O ATOM 0 H HIS A 120 -16.333 -22.036 4.072 1.00 52.30 H new ATOM 0 HA HIS A 120 -18.928 -23.432 3.910 1.00 31.35 H new ATOM 0 HB2 HIS A 120 -16.157 -24.098 4.931 1.00 43.00 H new ATOM 0 HB3 HIS A 120 -17.546 -24.979 5.536 1.00 43.00 H new ATOM 0 HD2 HIS A 120 -17.038 -24.054 1.692 1.00 61.40 H new ATOM 0 HE1 HIS A 120 -17.159 -28.265 2.137 1.00 43.14 H new ATOM 0 HE2 HIS A 120 -17.071 -26.354 0.466 1.00 55.34 H new TER 1969 HIS A 120