USER MOD reduce.3.24.130724 H: found=0, std=0, add=1200, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1200 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 117 TYR OH : rot -80:sc= -0.0614 USER MOD Set 1.2: A 121 CYS SG : rot -75:sc= -0.198 USER MOD Set 2.1: A 111 GLN : amide:sc= -0.121 K(o=0.38,f=-0.47) USER MOD Set 2.2: A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 115 TYR OH : rot -102:sc= 0.497 USER MOD Set 3.1: A 5 HIS : no HD1:sc= 0 X(o=0.89,f=0.88) USER MOD Set 3.2: A 100 SER OG : rot -42:sc= 0.885 USER MOD Set 4.1: A 46 MET CE :methyl 180:sc= -2.9 (180deg=-2.9) USER MOD Set 4.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 44 SER OG : rot 180:sc= 0.855 USER MOD Set 5.2: A 47 GLN : amide:sc= 0.762 K(o=3.4,f=-3.5) USER MOD Set 5.3: A 48 LYS NZ :NH3+ 178:sc= 1.75 (180deg=-0.172) USER MOD Set 6.1: A 22 GLN : amide:sc= 0.102 K(o=0.27,f=-0.26!) USER MOD Set 6.2: A 27 TYR OH : rot 180:sc= 0.169 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.00972 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= -0.388 K(o=-0.39,f=-1.3) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -0.303 F(o=-0.85,f=-0.3) USER MOD Single : A 7 HIS : no HD1:sc= -0.0125 X(o=-0.012,f=-0.012) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0592 X(o=-0.059,f=0.0071) USER MOD Single : A 11 MET CE :methyl 142:sc= -0.0902 (180deg=-0.553) USER MOD Single : A 14 HIS : no HD1:sc= -0.297 K(o=-0.3,f=-3.5!) USER MOD Single : A 18 THR OG1 : rot 37:sc= 0.388 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.103 X(o=0.1,f=-0.16) USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= -0.0211 (180deg=-0.123) USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00829) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 59 MET CE :methyl 166:sc= -0.0498 (180deg=-0.365) USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0291) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl -164:sc= -0.098 (180deg=-0.536) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -80:sc= 0.432 USER MOD Single : A 76 LYS NZ :NH3+ -134:sc= 0.0366 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.3) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -120:sc= -0.0372 (180deg=-0.213!) USER MOD Single : A 92 THR OG1 : rot -74:sc= -0.118 USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= -0.0202 (180deg=-0.184) USER MOD Single : A 96 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.86) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 156:sc= 1.59 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0278 USER MOD Single : A 112 TYR OH : rot 175:sc= 0.717 USER MOD Single : A 113 MET CE :methyl -177:sc= -2.67 (180deg=-2.98) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot -72:sc= 0.502 USER MOD Single : A 128 ASN : amide:sc= 1.02 K(o=1,f=-0.051) USER MOD Single : A 130 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 133 GLN : amide:sc= 0.529 K(o=0.53,f=-0.13) USER MOD Single : A 138 SER OG : rot 69:sc= 1 USER MOD Single : A 139 ASN :FLIP amide:sc= -1.06 F(o=-1.8,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.765 2.968 8.944 1.00 41.31 N ATOM 2 CA MET A 1 21.226 4.077 8.066 1.00 20.01 C ATOM 3 C MET A 1 22.496 3.690 7.286 1.00 73.31 C ATOM 4 O MET A 1 23.355 2.974 7.799 1.00 41.51 O ATOM 5 CB MET A 1 21.493 5.328 8.916 1.00 71.42 C ATOM 6 CG MET A 1 21.945 6.544 8.113 1.00 44.03 C ATOM 7 SD MET A 1 22.259 7.981 9.158 1.00 20.50 S ATOM 8 CE MET A 1 22.790 9.186 7.941 1.00 24.51 C ATOM 0 H1 MET A 1 20.519 3.346 9.881 1.00 41.31 H new ATOM 0 H2 MET A 1 19.928 2.517 8.523 1.00 41.31 H new ATOM 0 H3 MET A 1 21.525 2.265 9.043 1.00 41.31 H new ATOM 0 HA MET A 1 20.440 4.285 7.339 1.00 20.01 H new ATOM 0 HB2 MET A 1 20.585 5.584 9.461 1.00 71.42 H new ATOM 0 HB3 MET A 1 22.255 5.093 9.659 1.00 71.42 H new ATOM 0 HG2 MET A 1 22.851 6.295 7.561 1.00 44.03 H new ATOM 0 HG3 MET A 1 21.181 6.794 7.376 1.00 44.03 H new ATOM 0 HE1 MET A 1 23.020 10.128 8.438 1.00 24.51 H new ATOM 0 HE2 MET A 1 23.680 8.819 7.430 1.00 24.51 H new ATOM 0 HE3 MET A 1 21.993 9.344 7.214 1.00 24.51 H new ATOM 20 N GLY A 2 22.593 4.136 6.029 1.00 3.51 N ATOM 21 CA GLY A 2 23.839 4.008 5.266 1.00 32.00 C ATOM 22 C GLY A 2 23.983 2.707 4.467 1.00 64.22 C ATOM 23 O GLY A 2 24.542 2.714 3.368 1.00 15.42 O ATOM 0 H GLY A 2 21.830 4.585 5.522 1.00 3.51 H new ATOM 0 HA2 GLY A 2 23.913 4.849 4.577 1.00 32.00 H new ATOM 0 HA3 GLY A 2 24.679 4.087 5.956 1.00 32.00 H new ATOM 27 N HIS A 3 23.500 1.592 5.015 1.00 11.41 N ATOM 28 CA HIS A 3 23.682 0.269 4.387 1.00 72.41 C ATOM 29 C HIS A 3 23.025 0.181 2.992 1.00 50.41 C ATOM 30 O HIS A 3 21.802 0.226 2.868 1.00 53.22 O ATOM 31 CB HIS A 3 23.122 -0.828 5.303 1.00 22.42 C ATOM 32 CG HIS A 3 23.856 -0.952 6.606 1.00 52.42 C ATOM 33 ND1 HIS A 3 24.903 -1.824 6.796 1.00 41.12 N ATOM 34 CD2 HIS A 3 23.691 -0.308 7.789 1.00 41.13 C ATOM 35 CE1 HIS A 3 25.349 -1.712 8.029 1.00 35.52 C ATOM 36 NE2 HIS A 3 24.635 -0.801 8.652 1.00 22.21 N ATOM 0 H HIS A 3 22.979 1.571 5.892 1.00 11.41 H new ATOM 0 HA HIS A 3 24.753 0.123 4.247 1.00 72.41 H new ATOM 0 HB2 HIS A 3 22.071 -0.620 5.505 1.00 22.42 H new ATOM 0 HB3 HIS A 3 23.163 -1.783 4.780 1.00 22.42 H new ATOM 0 HD2 HIS A 3 22.954 0.450 8.009 1.00 41.13 H new ATOM 0 HE1 HIS A 3 26.165 -2.275 8.457 1.00 35.52 H new ATOM 0 HE2 HIS A 3 24.763 -0.508 9.621 1.00 22.21 H new ATOM 45 N HIS A 4 23.846 0.042 1.944 1.00 33.33 N ATOM 46 CA HIS A 4 23.347 -0.042 0.559 1.00 3.34 C ATOM 47 C HIS A 4 24.004 -1.193 -0.222 1.00 74.31 C ATOM 48 O HIS A 4 25.222 -1.222 -0.403 1.00 51.30 O ATOM 49 CB HIS A 4 23.602 1.275 -0.190 1.00 12.43 C ATOM 50 CG HIS A 4 22.815 2.439 0.333 1.00 31.44 C ATOM 51 ND1 HIS A 4 23.387 3.504 0.993 1.00 2.51 N ATOM 52 CD2 HIS A 4 21.489 2.709 0.276 1.00 41.52 C ATOM 53 CE1 HIS A 4 22.455 4.372 1.320 1.00 32.13 C ATOM 54 NE2 HIS A 4 21.295 3.916 0.897 1.00 53.43 N ATOM 0 H HIS A 4 24.861 -0.015 2.025 1.00 33.33 H new ATOM 0 HA HIS A 4 22.276 -0.233 0.623 1.00 3.34 H new ATOM 0 HB2 HIS A 4 24.664 1.513 -0.133 1.00 12.43 H new ATOM 0 HB3 HIS A 4 23.363 1.133 -1.244 1.00 12.43 H new ATOM 0 HD1 HIS A 4 24.381 3.604 1.197 1.00 2.51 H new ATOM 0 HD2 HIS A 4 20.727 2.090 -0.174 1.00 41.52 H new ATOM 0 HE1 HIS A 4 22.614 5.301 1.846 1.00 32.13 H new ATOM 63 N HIS A 5 23.188 -2.141 -0.680 1.00 74.23 N ATOM 64 CA HIS A 5 23.647 -3.210 -1.579 1.00 62.14 C ATOM 65 C HIS A 5 22.739 -3.278 -2.815 1.00 61.52 C ATOM 66 O HIS A 5 21.519 -3.366 -2.683 1.00 44.34 O ATOM 67 CB HIS A 5 23.646 -4.565 -0.856 1.00 70.33 C ATOM 68 CG HIS A 5 24.458 -4.579 0.400 1.00 50.14 C ATOM 69 ND1 HIS A 5 25.825 -4.741 0.411 1.00 30.30 N ATOM 70 CD2 HIS A 5 24.092 -4.445 1.696 1.00 4.31 C ATOM 71 CE1 HIS A 5 26.263 -4.708 1.651 1.00 12.31 C ATOM 72 NE2 HIS A 5 25.234 -4.528 2.451 1.00 51.14 N ATOM 0 H HIS A 5 22.197 -2.194 -0.444 1.00 74.23 H new ATOM 0 HA HIS A 5 24.667 -2.985 -1.891 1.00 62.14 H new ATOM 0 HB2 HIS A 5 22.618 -4.838 -0.616 1.00 70.33 H new ATOM 0 HB3 HIS A 5 24.029 -5.328 -1.534 1.00 70.33 H new ATOM 0 HD2 HIS A 5 23.088 -4.300 2.067 1.00 4.31 H new ATOM 0 HE1 HIS A 5 27.293 -4.811 1.960 1.00 12.31 H new ATOM 0 HE2 HIS A 5 25.278 -4.461 3.468 1.00 51.14 H new ATOM 81 N HIS A 6 23.325 -3.236 -4.011 1.00 63.54 N ATOM 82 CA HIS A 6 22.534 -3.203 -5.249 1.00 63.02 C ATOM 83 C HIS A 6 22.987 -4.288 -6.243 1.00 51.32 C ATOM 84 O HIS A 6 23.984 -4.127 -6.946 1.00 32.13 O ATOM 85 CB HIS A 6 22.629 -1.810 -5.893 1.00 0.52 C ATOM 86 CG HIS A 6 21.712 -1.623 -7.066 1.00 32.10 C ATOM 87 ND1 HIS A 6 20.435 -1.171 -7.135 1.00 3.02 N flip ATOM 88 CD2 HIS A 6 22.079 -1.915 -8.362 1.00 11.40 C flip ATOM 89 CE1 HIS A 6 20.068 -1.202 -8.457 1.00 63.42 C flip ATOM 90 NE2 HIS A 6 21.075 -1.653 -9.174 1.00 13.54 N flip ATOM 0 H HIS A 6 24.335 -3.224 -4.153 1.00 63.54 H new ATOM 0 HA HIS A 6 21.495 -3.411 -4.991 1.00 63.02 H new ATOM 0 HB2 HIS A 6 22.400 -1.055 -5.140 1.00 0.52 H new ATOM 0 HB3 HIS A 6 23.656 -1.638 -6.215 1.00 0.52 H new ATOM 0 HD2 HIS A 6 23.042 -2.299 -8.665 1.00 11.40 H new ATOM 0 HE1 HIS A 6 19.106 -0.904 -8.847 1.00 63.42 H new ATOM 0 HE2 HIS A 6 21.078 -1.778 -10.186 1.00 13.54 H new ATOM 99 N HIS A 7 22.253 -5.399 -6.281 1.00 60.01 N ATOM 100 CA HIS A 7 22.544 -6.516 -7.199 1.00 5.35 C ATOM 101 C HIS A 7 21.249 -7.188 -7.674 1.00 62.45 C ATOM 102 O HIS A 7 20.366 -7.482 -6.865 1.00 1.32 O ATOM 103 CB HIS A 7 23.436 -7.568 -6.515 1.00 13.31 C ATOM 104 CG HIS A 7 24.835 -7.104 -6.245 1.00 43.34 C ATOM 105 ND1 HIS A 7 25.861 -7.243 -7.154 1.00 13.25 N ATOM 106 CD2 HIS A 7 25.380 -6.500 -5.161 1.00 2.21 C ATOM 107 CE1 HIS A 7 26.969 -6.748 -6.646 1.00 5.22 C ATOM 108 NE2 HIS A 7 26.704 -6.292 -5.441 1.00 62.12 N ATOM 0 H HIS A 7 21.442 -5.557 -5.682 1.00 60.01 H new ATOM 0 HA HIS A 7 23.069 -6.102 -8.060 1.00 5.35 H new ATOM 0 HB2 HIS A 7 22.974 -7.862 -5.572 1.00 13.31 H new ATOM 0 HB3 HIS A 7 23.475 -8.458 -7.142 1.00 13.31 H new ATOM 0 HD2 HIS A 7 24.867 -6.233 -4.249 1.00 2.21 H new ATOM 0 HE1 HIS A 7 27.932 -6.721 -7.135 1.00 5.22 H new ATOM 0 HE2 HIS A 7 27.378 -5.853 -4.814 1.00 62.12 H new ATOM 117 N HIS A 8 21.135 -7.436 -8.981 1.00 32.24 N ATOM 118 CA HIS A 8 19.965 -8.138 -9.522 1.00 31.42 C ATOM 119 C HIS A 8 19.994 -9.618 -9.104 1.00 21.10 C ATOM 120 O HIS A 8 20.593 -10.459 -9.780 1.00 31.33 O ATOM 121 CB HIS A 8 19.911 -8.023 -11.050 1.00 73.51 C ATOM 122 CG HIS A 8 19.891 -6.612 -11.558 1.00 71.21 C ATOM 123 ND1 HIS A 8 18.949 -5.683 -11.172 1.00 72.30 N ATOM 124 CD2 HIS A 8 20.708 -5.969 -12.427 1.00 53.22 C ATOM 125 CE1 HIS A 8 19.187 -4.539 -11.779 1.00 72.22 C ATOM 126 NE2 HIS A 8 20.247 -4.683 -12.546 1.00 51.55 N ATOM 0 H HIS A 8 21.829 -7.166 -9.678 1.00 32.24 H new ATOM 0 HA HIS A 8 19.070 -7.669 -9.114 1.00 31.42 H new ATOM 0 HB2 HIS A 8 20.774 -8.538 -11.473 1.00 73.51 H new ATOM 0 HB3 HIS A 8 19.022 -8.540 -11.411 1.00 73.51 H new ATOM 0 HD2 HIS A 8 21.564 -6.391 -12.932 1.00 53.22 H new ATOM 0 HE1 HIS A 8 18.609 -3.634 -11.666 1.00 72.22 H new ATOM 0 HE2 HIS A 8 20.658 -3.957 -13.133 1.00 51.55 H new ATOM 135 N SER A 9 19.364 -9.922 -7.974 1.00 63.12 N ATOM 136 CA SER A 9 19.423 -11.266 -7.382 1.00 30.44 C ATOM 137 C SER A 9 18.484 -12.254 -8.086 1.00 42.30 C ATOM 138 O SER A 9 17.281 -12.019 -8.188 1.00 61.02 O ATOM 139 CB SER A 9 19.074 -11.198 -5.889 1.00 42.43 C ATOM 140 OG SER A 9 19.966 -10.336 -5.193 1.00 51.04 O ATOM 0 H SER A 9 18.802 -9.256 -7.443 1.00 63.12 H new ATOM 0 HA SER A 9 20.442 -11.631 -7.511 1.00 30.44 H new ATOM 0 HB2 SER A 9 18.051 -10.842 -5.767 1.00 42.43 H new ATOM 0 HB3 SER A 9 19.118 -12.198 -5.456 1.00 42.43 H new ATOM 0 HG SER A 9 19.721 -10.309 -4.244 1.00 51.04 H new ATOM 146 N HIS A 10 19.043 -13.361 -8.572 1.00 73.13 N ATOM 147 CA HIS A 10 18.251 -14.432 -9.189 1.00 2.21 C ATOM 148 C HIS A 10 18.097 -15.621 -8.229 1.00 50.53 C ATOM 149 O HIS A 10 19.034 -16.390 -8.018 1.00 54.23 O ATOM 150 CB HIS A 10 18.897 -14.891 -10.503 1.00 4.43 C ATOM 151 CG HIS A 10 18.843 -13.863 -11.593 1.00 4.10 C ATOM 152 ND1 HIS A 10 17.991 -13.957 -12.675 1.00 25.11 N ATOM 153 CD2 HIS A 10 19.542 -12.718 -11.770 1.00 24.21 C ATOM 154 CE1 HIS A 10 18.169 -12.918 -13.465 1.00 54.11 C ATOM 155 NE2 HIS A 10 19.101 -12.152 -12.939 1.00 3.44 N ATOM 0 H HIS A 10 20.046 -13.543 -8.552 1.00 73.13 H new ATOM 0 HA HIS A 10 17.259 -14.036 -9.407 1.00 2.21 H new ATOM 0 HB2 HIS A 10 19.938 -15.152 -10.314 1.00 4.43 H new ATOM 0 HB3 HIS A 10 18.398 -15.797 -10.846 1.00 4.43 H new ATOM 0 HD2 HIS A 10 20.304 -12.324 -11.114 1.00 24.21 H new ATOM 0 HE1 HIS A 10 17.640 -12.727 -14.387 1.00 54.11 H new ATOM 0 HE2 HIS A 10 19.441 -11.277 -13.337 1.00 3.44 H new ATOM 164 N MET A 11 16.912 -15.747 -7.634 1.00 31.34 N ATOM 165 CA MET A 11 16.618 -16.824 -6.677 1.00 20.54 C ATOM 166 C MET A 11 15.186 -17.349 -6.873 1.00 64.31 C ATOM 167 O MET A 11 14.355 -16.676 -7.482 1.00 53.13 O ATOM 168 CB MET A 11 16.764 -16.304 -5.233 1.00 42.32 C ATOM 169 CG MET A 11 18.157 -15.803 -4.874 1.00 41.40 C ATOM 170 SD MET A 11 18.229 -15.088 -3.216 1.00 23.10 S ATOM 171 CE MET A 11 17.734 -16.487 -2.207 1.00 31.52 C ATOM 0 H MET A 11 16.130 -15.112 -7.797 1.00 31.34 H new ATOM 0 HA MET A 11 17.326 -17.634 -6.853 1.00 20.54 H new ATOM 0 HB2 MET A 11 16.051 -15.494 -5.079 1.00 42.32 H new ATOM 0 HB3 MET A 11 16.492 -17.104 -4.544 1.00 42.32 H new ATOM 0 HG2 MET A 11 18.865 -16.629 -4.941 1.00 41.40 H new ATOM 0 HG3 MET A 11 18.470 -15.055 -5.603 1.00 41.40 H new ATOM 0 HE1 MET A 11 18.316 -16.495 -1.286 1.00 31.52 H new ATOM 0 HE2 MET A 11 16.674 -16.405 -1.966 1.00 31.52 H new ATOM 0 HE3 MET A 11 17.910 -17.412 -2.756 1.00 31.52 H new ATOM 181 N PRO A 12 14.875 -18.566 -6.387 1.00 4.23 N ATOM 182 CA PRO A 12 13.483 -19.028 -6.281 1.00 34.44 C ATOM 183 C PRO A 12 12.720 -18.214 -5.220 1.00 74.04 C ATOM 184 O PRO A 12 12.415 -18.707 -4.131 1.00 1.34 O ATOM 185 CB PRO A 12 13.614 -20.510 -5.869 1.00 32.14 C ATOM 186 CG PRO A 12 15.046 -20.868 -6.122 1.00 4.11 C ATOM 187 CD PRO A 12 15.829 -19.595 -5.945 1.00 75.35 C ATOM 0 HA PRO A 12 12.921 -18.905 -7.207 1.00 34.44 H new ATOM 0 HB2 PRO A 12 13.353 -20.651 -4.820 1.00 32.14 H new ATOM 0 HB3 PRO A 12 12.943 -21.141 -6.452 1.00 32.14 H new ATOM 0 HG2 PRO A 12 15.385 -21.635 -5.426 1.00 4.11 H new ATOM 0 HG3 PRO A 12 15.176 -21.270 -7.127 1.00 4.11 H new ATOM 0 HD2 PRO A 12 16.133 -19.447 -4.909 1.00 75.35 H new ATOM 0 HD3 PRO A 12 16.737 -19.591 -6.547 1.00 75.35 H new ATOM 195 N ASP A 13 12.450 -16.948 -5.547 1.00 40.13 N ATOM 196 CA ASP A 13 11.881 -15.978 -4.600 1.00 41.44 C ATOM 197 C ASP A 13 10.359 -16.127 -4.418 1.00 52.30 C ATOM 198 O ASP A 13 9.838 -15.911 -3.322 1.00 52.20 O ATOM 199 CB ASP A 13 12.230 -14.551 -5.053 1.00 42.52 C ATOM 200 CG ASP A 13 12.143 -14.376 -6.563 1.00 41.25 C ATOM 201 OD1 ASP A 13 11.086 -14.696 -7.150 1.00 75.41 O ATOM 202 OD2 ASP A 13 13.132 -13.924 -7.178 1.00 31.13 O ATOM 0 H ASP A 13 12.619 -16.563 -6.476 1.00 40.13 H new ATOM 0 HA ASP A 13 12.325 -16.182 -3.626 1.00 41.44 H new ATOM 0 HB2 ASP A 13 11.554 -13.845 -4.570 1.00 42.52 H new ATOM 0 HB3 ASP A 13 13.238 -14.305 -4.720 1.00 42.52 H new ATOM 207 N HIS A 14 9.653 -16.473 -5.491 1.00 54.44 N ATOM 208 CA HIS A 14 8.199 -16.686 -5.429 1.00 20.20 C ATOM 209 C HIS A 14 7.828 -17.862 -4.505 1.00 51.34 C ATOM 210 O HIS A 14 8.669 -18.692 -4.153 1.00 2.23 O ATOM 211 CB HIS A 14 7.631 -16.916 -6.838 1.00 42.31 C ATOM 212 CG HIS A 14 7.382 -15.652 -7.607 1.00 71.34 C ATOM 213 ND1 HIS A 14 6.128 -15.092 -7.740 1.00 23.02 N ATOM 214 CD2 HIS A 14 8.221 -14.841 -8.294 1.00 10.53 C ATOM 215 CE1 HIS A 14 6.205 -14.001 -8.472 1.00 2.01 C ATOM 216 NE2 HIS A 14 7.461 -13.825 -8.822 1.00 1.51 N ATOM 0 H HIS A 14 10.059 -16.613 -6.416 1.00 54.44 H new ATOM 0 HA HIS A 14 7.755 -15.784 -5.007 1.00 20.20 H new ATOM 0 HB2 HIS A 14 8.324 -17.542 -7.401 1.00 42.31 H new ATOM 0 HB3 HIS A 14 6.696 -17.470 -6.756 1.00 42.31 H new ATOM 0 HD2 HIS A 14 9.288 -14.969 -8.406 1.00 10.53 H new ATOM 0 HE1 HIS A 14 5.378 -13.360 -8.740 1.00 2.01 H new ATOM 0 HE2 HIS A 14 7.814 -13.058 -9.394 1.00 1.51 H new ATOM 225 N GLY A 15 6.549 -17.938 -4.132 1.00 14.45 N ATOM 226 CA GLY A 15 6.098 -18.948 -3.178 1.00 24.41 C ATOM 227 C GLY A 15 5.890 -20.329 -3.795 1.00 62.24 C ATOM 228 O GLY A 15 4.934 -21.024 -3.458 1.00 2.41 O ATOM 0 H GLY A 15 5.815 -17.318 -4.473 1.00 14.45 H new ATOM 0 HA2 GLY A 15 6.829 -19.026 -2.373 1.00 24.41 H new ATOM 0 HA3 GLY A 15 5.162 -18.617 -2.728 1.00 24.41 H new ATOM 232 N ASP A 16 6.796 -20.740 -4.681 1.00 64.45 N ATOM 233 CA ASP A 16 6.710 -22.049 -5.340 1.00 65.10 C ATOM 234 C ASP A 16 6.831 -23.208 -4.332 1.00 24.25 C ATOM 235 O ASP A 16 6.481 -24.350 -4.638 1.00 42.55 O ATOM 236 CB ASP A 16 7.809 -22.169 -6.399 1.00 51.43 C ATOM 237 CG ASP A 16 7.737 -21.058 -7.431 1.00 74.45 C ATOM 238 OD1 ASP A 16 8.355 -19.999 -7.216 1.00 14.43 O ATOM 239 OD2 ASP A 16 7.064 -21.240 -8.466 1.00 32.15 O ATOM 0 H ASP A 16 7.604 -20.184 -4.962 1.00 64.45 H new ATOM 0 HA ASP A 16 5.730 -22.119 -5.812 1.00 65.10 H new ATOM 0 HB2 ASP A 16 8.784 -22.147 -5.912 1.00 51.43 H new ATOM 0 HB3 ASP A 16 7.724 -23.133 -6.900 1.00 51.43 H new ATOM 244 N TRP A 17 7.329 -22.901 -3.136 1.00 71.14 N ATOM 245 CA TRP A 17 7.516 -23.903 -2.080 1.00 72.15 C ATOM 246 C TRP A 17 6.219 -24.120 -1.272 1.00 50.01 C ATOM 247 O TRP A 17 6.167 -24.954 -0.366 1.00 20.11 O ATOM 248 CB TRP A 17 8.657 -23.453 -1.153 1.00 12.42 C ATOM 249 CG TRP A 17 9.874 -22.988 -1.903 1.00 5.11 C ATOM 250 CD1 TRP A 17 10.248 -21.693 -2.136 1.00 41.32 C ATOM 251 CD2 TRP A 17 10.859 -23.810 -2.534 1.00 74.42 C ATOM 252 NE1 TRP A 17 11.409 -21.664 -2.866 1.00 14.31 N ATOM 253 CE2 TRP A 17 11.805 -22.949 -3.124 1.00 23.11 C ATOM 254 CE3 TRP A 17 11.038 -25.191 -2.657 1.00 54.43 C ATOM 255 CZ2 TRP A 17 12.909 -23.423 -3.823 1.00 30.04 C ATOM 256 CZ3 TRP A 17 12.136 -25.662 -3.353 1.00 72.14 C ATOM 257 CH2 TRP A 17 13.060 -24.778 -3.929 1.00 12.42 C ATOM 0 H TRP A 17 7.614 -21.959 -2.869 1.00 71.14 H new ATOM 0 HA TRP A 17 7.773 -24.855 -2.544 1.00 72.15 H new ATOM 0 HB2 TRP A 17 8.301 -22.646 -0.513 1.00 12.42 H new ATOM 0 HB3 TRP A 17 8.934 -24.280 -0.499 1.00 12.42 H new ATOM 0 HD1 TRP A 17 9.709 -20.822 -1.795 1.00 41.32 H new ATOM 0 HE1 TRP A 17 11.898 -20.821 -3.168 1.00 14.31 H new ATOM 0 HE3 TRP A 17 10.331 -25.878 -2.216 1.00 54.43 H new ATOM 0 HZ2 TRP A 17 13.623 -22.745 -4.267 1.00 30.04 H new ATOM 0 HZ3 TRP A 17 12.284 -26.727 -3.455 1.00 72.14 H new ATOM 0 HH2 TRP A 17 13.908 -25.175 -4.467 1.00 12.42 H new ATOM 268 N THR A 18 5.179 -23.363 -1.616 1.00 61.05 N ATOM 269 CA THR A 18 3.871 -23.446 -0.946 1.00 75.33 C ATOM 270 C THR A 18 2.792 -22.804 -1.835 1.00 34.21 C ATOM 271 O THR A 18 2.959 -22.735 -3.052 1.00 42.33 O ATOM 272 CB THR A 18 3.910 -22.745 0.445 1.00 75.45 C ATOM 273 OG1 THR A 18 2.649 -22.879 1.121 1.00 42.23 O ATOM 274 CG2 THR A 18 4.263 -21.264 0.310 1.00 55.51 C ATOM 0 H THR A 18 5.213 -22.673 -2.366 1.00 61.05 H new ATOM 0 HA THR A 18 3.629 -24.497 -0.786 1.00 75.33 H new ATOM 0 HB THR A 18 4.685 -23.236 1.034 1.00 75.45 H new ATOM 0 HG1 THR A 18 2.270 -23.763 0.934 1.00 42.23 H new ATOM 0 HG21 THR A 18 4.282 -20.803 1.298 1.00 55.51 H new ATOM 0 HG22 THR A 18 5.243 -21.165 -0.156 1.00 55.51 H new ATOM 0 HG23 THR A 18 3.515 -20.767 -0.308 1.00 55.51 H new ATOM 282 N TYR A 19 1.678 -22.365 -1.257 1.00 10.52 N ATOM 283 CA TYR A 19 0.681 -21.594 -2.012 1.00 63.23 C ATOM 284 C TYR A 19 1.110 -20.129 -2.173 1.00 43.35 C ATOM 285 O TYR A 19 1.524 -19.486 -1.212 1.00 54.24 O ATOM 286 CB TYR A 19 -0.698 -21.644 -1.329 1.00 70.20 C ATOM 287 CG TYR A 19 -1.526 -22.863 -1.689 1.00 21.32 C ATOM 288 CD1 TYR A 19 -1.924 -23.084 -3.005 1.00 62.42 C ATOM 289 CD2 TYR A 19 -1.917 -23.784 -0.724 1.00 33.55 C ATOM 290 CE1 TYR A 19 -2.682 -24.186 -3.345 1.00 3.32 C ATOM 291 CE2 TYR A 19 -2.673 -24.888 -1.059 1.00 53.14 C ATOM 292 CZ TYR A 19 -3.054 -25.083 -2.370 1.00 24.05 C ATOM 293 OH TYR A 19 -3.804 -26.185 -2.707 1.00 74.30 O ATOM 0 H TYR A 19 1.439 -22.525 -0.278 1.00 10.52 H new ATOM 0 HA TYR A 19 0.609 -22.053 -2.998 1.00 63.23 H new ATOM 0 HB2 TYR A 19 -0.557 -21.621 -0.248 1.00 70.20 H new ATOM 0 HB3 TYR A 19 -1.257 -20.747 -1.597 1.00 70.20 H new ATOM 0 HD1 TYR A 19 -1.635 -22.381 -3.772 1.00 62.42 H new ATOM 0 HD2 TYR A 19 -1.624 -23.633 0.304 1.00 33.55 H new ATOM 0 HE1 TYR A 19 -2.982 -24.344 -4.371 1.00 3.32 H new ATOM 0 HE2 TYR A 19 -2.965 -25.597 -0.298 1.00 53.14 H new ATOM 0 HH TYR A 19 -3.981 -26.718 -1.904 1.00 74.30 H new ATOM 303 N GLU A 20 1.035 -19.615 -3.398 1.00 62.42 N ATOM 304 CA GLU A 20 1.176 -18.173 -3.636 1.00 62.31 C ATOM 305 C GLU A 20 -0.220 -17.532 -3.757 1.00 63.33 C ATOM 306 O GLU A 20 -0.367 -16.311 -3.764 1.00 54.44 O ATOM 307 CB GLU A 20 2.012 -17.923 -4.901 1.00 64.11 C ATOM 308 CG GLU A 20 2.503 -16.484 -5.049 1.00 23.21 C ATOM 309 CD GLU A 20 3.514 -16.325 -6.173 1.00 64.44 C ATOM 310 OE1 GLU A 20 4.556 -17.015 -6.146 1.00 63.33 O ATOM 311 OE2 GLU A 20 3.287 -15.511 -7.090 1.00 10.22 O ATOM 0 H GLU A 20 0.878 -20.169 -4.240 1.00 62.42 H new ATOM 0 HA GLU A 20 1.697 -17.714 -2.795 1.00 62.31 H new ATOM 0 HB2 GLU A 20 2.874 -18.591 -4.892 1.00 64.11 H new ATOM 0 HB3 GLU A 20 1.416 -18.184 -5.775 1.00 64.11 H new ATOM 0 HG2 GLU A 20 1.651 -15.831 -5.236 1.00 23.21 H new ATOM 0 HG3 GLU A 20 2.954 -16.159 -4.111 1.00 23.21 H new ATOM 318 N GLU A 21 -1.237 -18.393 -3.851 1.00 74.20 N ATOM 319 CA GLU A 21 -2.652 -17.982 -3.843 1.00 53.43 C ATOM 320 C GLU A 21 -3.007 -17.276 -2.516 1.00 73.54 C ATOM 321 O GLU A 21 -2.261 -17.371 -1.543 1.00 22.52 O ATOM 322 CB GLU A 21 -3.528 -19.241 -4.013 1.00 3.10 C ATOM 323 CG GLU A 21 -5.013 -18.979 -4.275 1.00 71.43 C ATOM 324 CD GLU A 21 -5.316 -18.663 -5.733 1.00 23.23 C ATOM 325 OE1 GLU A 21 -5.147 -19.565 -6.585 1.00 3.14 O ATOM 326 OE2 GLU A 21 -5.726 -17.525 -6.036 1.00 11.02 O ATOM 0 H GLU A 21 -1.106 -19.401 -3.935 1.00 74.20 H new ATOM 0 HA GLU A 21 -2.831 -17.282 -4.659 1.00 53.43 H new ATOM 0 HB2 GLU A 21 -3.130 -19.831 -4.839 1.00 3.10 H new ATOM 0 HB3 GLU A 21 -3.437 -19.850 -3.113 1.00 3.10 H new ATOM 0 HG2 GLU A 21 -5.589 -19.853 -3.972 1.00 71.43 H new ATOM 0 HG3 GLU A 21 -5.344 -18.148 -3.653 1.00 71.43 H new ATOM 333 N GLN A 22 -4.139 -16.572 -2.471 1.00 20.25 N ATOM 334 CA GLN A 22 -4.604 -15.942 -1.224 1.00 43.24 C ATOM 335 C GLN A 22 -4.718 -16.994 -0.095 1.00 62.11 C ATOM 336 O GLN A 22 -5.691 -17.749 -0.017 1.00 72.33 O ATOM 337 CB GLN A 22 -5.948 -15.225 -1.470 1.00 51.50 C ATOM 338 CG GLN A 22 -6.400 -14.295 -0.335 1.00 65.34 C ATOM 339 CD GLN A 22 -7.273 -14.977 0.711 1.00 23.31 C ATOM 340 OE1 GLN A 22 -8.018 -15.904 0.411 1.00 21.03 O ATOM 341 NE2 GLN A 22 -7.202 -14.513 1.943 1.00 14.11 N ATOM 0 H GLN A 22 -4.750 -16.422 -3.274 1.00 20.25 H new ATOM 0 HA GLN A 22 -3.876 -15.197 -0.904 1.00 43.24 H new ATOM 0 HB2 GLN A 22 -5.870 -14.643 -2.388 1.00 51.50 H new ATOM 0 HB3 GLN A 22 -6.720 -15.977 -1.634 1.00 51.50 H new ATOM 0 HG2 GLN A 22 -5.519 -13.881 0.155 1.00 65.34 H new ATOM 0 HG3 GLN A 22 -6.950 -13.457 -0.763 1.00 65.34 H new ATOM 0 HE21 GLN A 22 -6.573 -13.741 2.162 1.00 14.11 H new ATOM 0 HE22 GLN A 22 -7.776 -14.926 2.678 1.00 14.11 H new ATOM 350 N PHE A 23 -3.693 -17.059 0.760 1.00 64.31 N ATOM 351 CA PHE A 23 -3.585 -18.127 1.769 1.00 21.52 C ATOM 352 C PHE A 23 -3.858 -17.652 3.210 1.00 32.13 C ATOM 353 O PHE A 23 -3.896 -16.454 3.503 1.00 21.22 O ATOM 354 CB PHE A 23 -2.198 -18.794 1.687 1.00 43.51 C ATOM 355 CG PHE A 23 -1.033 -17.827 1.607 1.00 43.04 C ATOM 356 CD1 PHE A 23 -0.758 -16.946 2.643 1.00 74.31 C ATOM 357 CD2 PHE A 23 -0.206 -17.812 0.493 1.00 51.23 C ATOM 358 CE1 PHE A 23 0.313 -16.074 2.566 1.00 62.43 C ATOM 359 CE2 PHE A 23 0.863 -16.942 0.412 1.00 55.24 C ATOM 360 CZ PHE A 23 1.123 -16.073 1.449 1.00 13.31 C ATOM 0 H PHE A 23 -2.925 -16.388 0.777 1.00 64.31 H new ATOM 0 HA PHE A 23 -4.366 -18.849 1.532 1.00 21.52 H new ATOM 0 HB2 PHE A 23 -2.064 -19.431 2.561 1.00 43.51 H new ATOM 0 HB3 PHE A 23 -2.174 -19.444 0.812 1.00 43.51 H new ATOM 0 HD1 PHE A 23 -1.388 -16.941 3.520 1.00 74.31 H new ATOM 0 HD2 PHE A 23 -0.402 -18.491 -0.323 1.00 51.23 H new ATOM 0 HE1 PHE A 23 0.515 -15.394 3.380 1.00 62.43 H new ATOM 0 HE2 PHE A 23 1.495 -16.943 -0.464 1.00 55.24 H new ATOM 0 HZ PHE A 23 1.959 -15.392 1.388 1.00 13.31 H new ATOM 370 N LYS A 24 -4.013 -18.632 4.103 1.00 14.25 N ATOM 371 CA LYS A 24 -4.334 -18.401 5.522 1.00 13.13 C ATOM 372 C LYS A 24 -3.253 -17.588 6.266 1.00 3.13 C ATOM 373 O LYS A 24 -3.562 -16.841 7.198 1.00 71.12 O ATOM 374 CB LYS A 24 -4.519 -19.759 6.217 1.00 12.32 C ATOM 375 CG LYS A 24 -4.873 -19.673 7.702 1.00 4.11 C ATOM 376 CD LYS A 24 -6.251 -19.057 7.926 1.00 73.01 C ATOM 377 CE LYS A 24 -6.642 -19.063 9.400 1.00 3.41 C ATOM 378 NZ LYS A 24 -8.049 -18.628 9.599 1.00 12.15 N ATOM 0 H LYS A 24 -3.919 -19.619 3.864 1.00 14.25 H new ATOM 0 HA LYS A 24 -5.250 -17.811 5.555 1.00 13.13 H new ATOM 0 HB2 LYS A 24 -5.304 -20.312 5.702 1.00 12.32 H new ATOM 0 HB3 LYS A 24 -3.600 -20.335 6.109 1.00 12.32 H new ATOM 0 HG2 LYS A 24 -4.846 -20.671 8.139 1.00 4.11 H new ATOM 0 HG3 LYS A 24 -4.121 -19.078 8.220 1.00 4.11 H new ATOM 0 HD2 LYS A 24 -6.256 -18.033 7.553 1.00 73.01 H new ATOM 0 HD3 LYS A 24 -6.994 -19.610 7.351 1.00 73.01 H new ATOM 0 HE2 LYS A 24 -6.510 -20.066 9.807 1.00 3.41 H new ATOM 0 HE3 LYS A 24 -5.975 -18.403 9.956 1.00 3.41 H new ATOM 0 HZ1 LYS A 24 -8.278 -18.645 10.613 1.00 12.15 H new ATOM 0 HZ2 LYS A 24 -8.169 -17.662 9.233 1.00 12.15 H new ATOM 0 HZ3 LYS A 24 -8.687 -19.272 9.090 1.00 12.15 H new ATOM 392 N GLN A 25 -1.991 -17.731 5.856 1.00 52.01 N ATOM 393 CA GLN A 25 -0.865 -17.097 6.567 1.00 5.10 C ATOM 394 C GLN A 25 -1.080 -15.585 6.781 1.00 52.24 C ATOM 395 O GLN A 25 -0.687 -15.046 7.815 1.00 32.12 O ATOM 396 CB GLN A 25 0.457 -17.355 5.824 1.00 44.32 C ATOM 397 CG GLN A 25 1.695 -16.783 6.516 1.00 54.33 C ATOM 398 CD GLN A 25 1.888 -17.314 7.930 1.00 34.45 C ATOM 399 OE1 GLN A 25 2.509 -18.350 8.140 1.00 62.12 O ATOM 400 NE2 GLN A 25 1.370 -16.603 8.913 1.00 70.20 N ATOM 0 H GLN A 25 -1.718 -18.277 5.039 1.00 52.01 H new ATOM 0 HA GLN A 25 -0.813 -17.555 7.555 1.00 5.10 H new ATOM 0 HB2 GLN A 25 0.588 -18.430 5.704 1.00 44.32 H new ATOM 0 HB3 GLN A 25 0.386 -16.929 4.823 1.00 44.32 H new ATOM 0 HG2 GLN A 25 2.578 -17.019 5.922 1.00 54.33 H new ATOM 0 HG3 GLN A 25 1.615 -15.696 6.550 1.00 54.33 H new ATOM 0 HE21 GLN A 25 0.858 -15.745 8.707 1.00 70.20 H new ATOM 0 HE22 GLN A 25 1.481 -16.911 9.879 1.00 70.20 H new ATOM 409 N LEU A 26 -1.721 -14.908 5.820 1.00 51.54 N ATOM 410 CA LEU A 26 -2.027 -13.471 5.960 1.00 25.42 C ATOM 411 C LEU A 26 -2.781 -13.175 7.265 1.00 12.31 C ATOM 412 O LEU A 26 -2.586 -12.128 7.888 1.00 31.14 O ATOM 413 CB LEU A 26 -2.856 -12.960 4.772 1.00 25.32 C ATOM 414 CG LEU A 26 -2.080 -12.718 3.469 1.00 23.11 C ATOM 415 CD1 LEU A 26 -3.008 -12.156 2.393 1.00 40.14 C ATOM 416 CD2 LEU A 26 -0.902 -11.773 3.710 1.00 70.22 C ATOM 0 H LEU A 26 -2.037 -15.323 4.944 1.00 51.54 H new ATOM 0 HA LEU A 26 -1.070 -12.950 5.982 1.00 25.42 H new ATOM 0 HB2 LEU A 26 -3.650 -13.679 4.571 1.00 25.32 H new ATOM 0 HB3 LEU A 26 -3.338 -12.027 5.064 1.00 25.32 H new ATOM 0 HG LEU A 26 -1.685 -13.673 3.121 1.00 23.11 H new ATOM 0 HD11 LEU A 26 -2.443 -11.990 1.476 1.00 40.14 H new ATOM 0 HD12 LEU A 26 -3.813 -12.865 2.200 1.00 40.14 H new ATOM 0 HD13 LEU A 26 -3.431 -11.211 2.735 1.00 40.14 H new ATOM 0 HD21 LEU A 26 -0.365 -11.615 2.775 1.00 70.22 H new ATOM 0 HD22 LEU A 26 -1.272 -10.818 4.082 1.00 70.22 H new ATOM 0 HD23 LEU A 26 -0.228 -12.212 4.445 1.00 70.22 H new ATOM 428 N TYR A 27 -3.637 -14.103 7.661 1.00 33.32 N ATOM 429 CA TYR A 27 -4.408 -13.985 8.899 1.00 71.40 C ATOM 430 C TYR A 27 -3.529 -14.325 10.114 1.00 2.21 C ATOM 431 O TYR A 27 -3.552 -13.630 11.136 1.00 75.35 O ATOM 432 CB TYR A 27 -5.619 -14.928 8.843 1.00 41.12 C ATOM 433 CG TYR A 27 -6.515 -14.720 7.630 1.00 23.03 C ATOM 434 CD1 TYR A 27 -6.118 -15.145 6.363 1.00 24.41 C ATOM 435 CD2 TYR A 27 -7.755 -14.103 7.748 1.00 21.02 C ATOM 436 CE1 TYR A 27 -6.926 -14.962 5.259 1.00 42.15 C ATOM 437 CE2 TYR A 27 -8.570 -13.918 6.646 1.00 61.25 C ATOM 438 CZ TYR A 27 -8.152 -14.350 5.404 1.00 70.11 C ATOM 439 OH TYR A 27 -8.964 -14.168 4.304 1.00 50.30 O ATOM 0 H TYR A 27 -3.820 -14.959 7.138 1.00 33.32 H new ATOM 0 HA TYR A 27 -4.756 -12.957 9.003 1.00 71.40 H new ATOM 0 HB2 TYR A 27 -5.264 -15.958 8.846 1.00 41.12 H new ATOM 0 HB3 TYR A 27 -6.213 -14.793 9.747 1.00 41.12 H new ATOM 0 HD1 TYR A 27 -5.159 -15.627 6.243 1.00 24.41 H new ATOM 0 HD2 TYR A 27 -8.088 -13.762 8.717 1.00 21.02 H new ATOM 0 HE1 TYR A 27 -6.599 -15.297 4.286 1.00 42.15 H new ATOM 0 HE2 TYR A 27 -9.531 -13.437 6.757 1.00 61.25 H new ATOM 0 HH TYR A 27 -9.792 -13.722 4.579 1.00 50.30 H new ATOM 449 N GLU A 28 -2.734 -15.387 9.972 1.00 34.11 N ATOM 450 CA GLU A 28 -1.880 -15.889 11.060 1.00 21.14 C ATOM 451 C GLU A 28 -0.658 -14.991 11.326 1.00 63.13 C ATOM 452 O GLU A 28 0.064 -15.203 12.302 1.00 51.01 O ATOM 453 CB GLU A 28 -1.398 -17.312 10.740 1.00 53.40 C ATOM 454 CG GLU A 28 -2.520 -18.331 10.578 1.00 70.21 C ATOM 455 CD GLU A 28 -1.993 -19.745 10.389 1.00 3.12 C ATOM 456 OE1 GLU A 28 -1.645 -20.392 11.400 1.00 52.22 O ATOM 457 OE2 GLU A 28 -1.914 -20.214 9.232 1.00 3.12 O ATOM 0 H GLU A 28 -2.661 -15.923 9.107 1.00 34.11 H new ATOM 0 HA GLU A 28 -2.493 -15.887 11.961 1.00 21.14 H new ATOM 0 HB2 GLU A 28 -0.810 -17.287 9.822 1.00 53.40 H new ATOM 0 HB3 GLU A 28 -0.732 -17.645 11.536 1.00 53.40 H new ATOM 0 HG2 GLU A 28 -3.165 -18.300 11.456 1.00 70.21 H new ATOM 0 HG3 GLU A 28 -3.135 -18.057 9.721 1.00 70.21 H new ATOM 464 N LEU A 29 -0.412 -14.011 10.456 1.00 61.44 N ATOM 465 CA LEU A 29 0.734 -13.098 10.619 1.00 15.22 C ATOM 466 C LEU A 29 0.773 -12.477 12.030 1.00 34.33 C ATOM 467 O LEU A 29 1.823 -12.464 12.676 1.00 73.31 O ATOM 468 CB LEU A 29 0.698 -12.010 9.533 1.00 2.41 C ATOM 469 CG LEU A 29 1.013 -12.507 8.106 1.00 24.20 C ATOM 470 CD1 LEU A 29 0.656 -11.457 7.058 1.00 32.02 C ATOM 471 CD2 LEU A 29 2.482 -12.895 7.981 1.00 10.14 C ATOM 0 H LEU A 29 -0.985 -13.824 9.633 1.00 61.44 H new ATOM 0 HA LEU A 29 1.650 -13.678 10.503 1.00 15.22 H new ATOM 0 HB2 LEU A 29 -0.290 -11.550 9.532 1.00 2.41 H new ATOM 0 HB3 LEU A 29 1.412 -11.230 9.797 1.00 2.41 H new ATOM 0 HG LEU A 29 0.399 -13.389 7.924 1.00 24.20 H new ATOM 0 HD11 LEU A 29 0.891 -11.840 6.065 1.00 32.02 H new ATOM 0 HD12 LEU A 29 -0.409 -11.231 7.118 1.00 32.02 H new ATOM 0 HD13 LEU A 29 1.231 -10.549 7.242 1.00 32.02 H new ATOM 0 HD21 LEU A 29 2.682 -13.242 6.967 1.00 10.14 H new ATOM 0 HD22 LEU A 29 3.107 -12.028 8.197 1.00 10.14 H new ATOM 0 HD23 LEU A 29 2.709 -13.692 8.689 1.00 10.14 H new ATOM 483 N ASP A 30 -0.369 -11.974 12.507 1.00 31.53 N ATOM 484 CA ASP A 30 -0.490 -11.525 13.906 1.00 34.42 C ATOM 485 C ASP A 30 -1.395 -12.463 14.723 1.00 45.23 C ATOM 486 O ASP A 30 -1.124 -12.746 15.893 1.00 44.41 O ATOM 487 CB ASP A 30 -1.074 -10.107 13.995 1.00 11.31 C ATOM 488 CG ASP A 30 -0.157 -9.023 13.462 1.00 52.34 C ATOM 489 OD1 ASP A 30 1.058 -9.064 13.732 1.00 63.54 O ATOM 490 OD2 ASP A 30 -0.661 -8.105 12.782 1.00 23.31 O ATOM 0 H ASP A 30 -1.219 -11.866 11.954 1.00 31.53 H new ATOM 0 HA ASP A 30 0.520 -11.535 14.316 1.00 34.42 H new ATOM 0 HB2 ASP A 30 -2.013 -10.077 13.442 1.00 11.31 H new ATOM 0 HB3 ASP A 30 -1.310 -9.888 15.036 1.00 11.31 H new ATOM 495 N GLY A 31 -2.468 -12.950 14.095 1.00 65.33 N ATOM 496 CA GLY A 31 -3.541 -13.605 14.842 1.00 32.35 C ATOM 497 C GLY A 31 -4.485 -12.582 15.470 1.00 73.14 C ATOM 498 O GLY A 31 -5.203 -12.876 16.428 1.00 22.54 O ATOM 0 H GLY A 31 -2.615 -12.904 13.087 1.00 65.33 H new ATOM 0 HA2 GLY A 31 -4.103 -14.261 14.176 1.00 32.35 H new ATOM 0 HA3 GLY A 31 -3.112 -14.234 15.622 1.00 32.35 H new ATOM 502 N ASP A 32 -4.477 -11.375 14.905 1.00 33.54 N ATOM 503 CA ASP A 32 -5.247 -10.241 15.422 1.00 24.12 C ATOM 504 C ASP A 32 -6.659 -10.187 14.799 1.00 61.41 C ATOM 505 O ASP A 32 -6.817 -10.396 13.592 1.00 10.22 O ATOM 506 CB ASP A 32 -4.477 -8.947 15.117 1.00 15.31 C ATOM 507 CG ASP A 32 -5.196 -7.696 15.586 1.00 33.42 C ATOM 508 OD1 ASP A 32 -5.011 -7.295 16.755 1.00 23.21 O ATOM 509 OD2 ASP A 32 -5.941 -7.103 14.784 1.00 71.23 O ATOM 0 H ASP A 32 -3.933 -11.154 14.071 1.00 33.54 H new ATOM 0 HA ASP A 32 -5.374 -10.357 16.498 1.00 24.12 H new ATOM 0 HB2 ASP A 32 -3.497 -8.995 15.593 1.00 15.31 H new ATOM 0 HB3 ASP A 32 -4.307 -8.879 14.043 1.00 15.31 H new ATOM 514 N PRO A 33 -7.700 -9.896 15.612 1.00 33.14 N ATOM 515 CA PRO A 33 -9.098 -9.828 15.134 1.00 3.42 C ATOM 516 C PRO A 33 -9.323 -8.764 14.043 1.00 54.25 C ATOM 517 O PRO A 33 -10.080 -8.984 13.093 1.00 24.10 O ATOM 518 CB PRO A 33 -9.898 -9.480 16.402 1.00 21.44 C ATOM 519 CG PRO A 33 -8.896 -8.901 17.342 1.00 4.01 C ATOM 520 CD PRO A 33 -7.609 -9.621 17.059 1.00 63.50 C ATOM 0 HA PRO A 33 -9.398 -10.764 14.662 1.00 3.42 H new ATOM 0 HB2 PRO A 33 -10.693 -8.767 16.184 1.00 21.44 H new ATOM 0 HB3 PRO A 33 -10.371 -10.366 16.826 1.00 21.44 H new ATOM 0 HG2 PRO A 33 -8.787 -7.828 17.185 1.00 4.01 H new ATOM 0 HG3 PRO A 33 -9.204 -9.042 18.378 1.00 4.01 H new ATOM 0 HD2 PRO A 33 -6.741 -9.008 17.300 1.00 63.50 H new ATOM 0 HD3 PRO A 33 -7.523 -10.539 17.641 1.00 63.50 H new ATOM 528 N LYS A 34 -8.659 -7.618 14.168 1.00 52.01 N ATOM 529 CA LYS A 34 -8.824 -6.528 13.202 1.00 52.20 C ATOM 530 C LYS A 34 -8.056 -6.807 11.903 1.00 42.10 C ATOM 531 O LYS A 34 -8.376 -6.252 10.853 1.00 74.40 O ATOM 532 CB LYS A 34 -8.365 -5.196 13.814 1.00 15.44 C ATOM 533 CG LYS A 34 -9.092 -4.833 15.107 1.00 20.02 C ATOM 534 CD LYS A 34 -10.609 -4.768 14.925 1.00 33.42 C ATOM 535 CE LYS A 34 -11.020 -3.730 13.884 1.00 2.12 C ATOM 536 NZ LYS A 34 -10.546 -2.366 14.234 1.00 10.11 N ATOM 0 H LYS A 34 -8.004 -7.417 14.924 1.00 52.01 H new ATOM 0 HA LYS A 34 -9.884 -6.460 12.957 1.00 52.20 H new ATOM 0 HB2 LYS A 34 -7.294 -5.247 14.011 1.00 15.44 H new ATOM 0 HB3 LYS A 34 -8.518 -4.400 13.086 1.00 15.44 H new ATOM 0 HG2 LYS A 34 -8.852 -5.569 15.874 1.00 20.02 H new ATOM 0 HG3 LYS A 34 -8.730 -3.869 15.466 1.00 20.02 H new ATOM 0 HD2 LYS A 34 -10.980 -5.748 14.625 1.00 33.42 H new ATOM 0 HD3 LYS A 34 -11.078 -4.529 15.879 1.00 33.42 H new ATOM 0 HE2 LYS A 34 -10.618 -4.014 12.912 1.00 2.12 H new ATOM 0 HE3 LYS A 34 -12.106 -3.722 13.790 1.00 2.12 H new ATOM 0 HZ1 LYS A 34 -10.973 -1.673 13.586 1.00 10.11 H new ATOM 0 HZ2 LYS A 34 -10.822 -2.143 15.211 1.00 10.11 H new ATOM 0 HZ3 LYS A 34 -9.510 -2.326 14.149 1.00 10.11 H new ATOM 550 N ARG A 35 -7.048 -7.675 11.975 1.00 31.14 N ATOM 551 CA ARG A 35 -6.276 -8.055 10.790 1.00 32.54 C ATOM 552 C ARG A 35 -7.162 -8.730 9.728 1.00 42.12 C ATOM 553 O ARG A 35 -7.144 -8.347 8.557 1.00 23.11 O ATOM 554 CB ARG A 35 -5.108 -8.977 11.174 1.00 3.00 C ATOM 555 CG ARG A 35 -4.401 -9.602 9.972 1.00 2.41 C ATOM 556 CD ARG A 35 -3.099 -10.293 10.359 1.00 25.34 C ATOM 557 NE ARG A 35 -2.029 -9.339 10.654 1.00 30.11 N ATOM 558 CZ ARG A 35 -1.073 -9.031 9.821 1.00 41.31 C ATOM 559 NH1 ARG A 35 -1.044 -9.523 8.627 1.00 60.23 N ATOM 560 NH2 ARG A 35 -0.138 -8.224 10.182 1.00 11.51 N ATOM 0 H ARG A 35 -6.746 -8.128 12.838 1.00 31.14 H new ATOM 0 HA ARG A 35 -5.873 -7.140 10.356 1.00 32.54 H new ATOM 0 HB2 ARG A 35 -4.383 -8.408 11.756 1.00 3.00 H new ATOM 0 HB3 ARG A 35 -5.481 -9.772 11.819 1.00 3.00 H new ATOM 0 HG2 ARG A 35 -5.066 -10.324 9.498 1.00 2.41 H new ATOM 0 HG3 ARG A 35 -4.193 -8.828 9.233 1.00 2.41 H new ATOM 0 HD2 ARG A 35 -3.271 -10.924 11.231 1.00 25.34 H new ATOM 0 HD3 ARG A 35 -2.784 -10.949 9.548 1.00 25.34 H new ATOM 0 HE ARG A 35 -2.031 -8.886 11.568 1.00 30.11 H new ATOM 0 HH11 ARG A 35 -1.776 -10.164 8.322 1.00 60.23 H new ATOM 0 HH12 ARG A 35 -0.289 -9.271 7.990 1.00 60.23 H new ATOM 0 HH21 ARG A 35 -0.144 -7.824 11.120 1.00 11.51 H new ATOM 0 HH22 ARG A 35 0.609 -7.984 9.530 1.00 11.51 H new ATOM 574 N LYS A 36 -7.939 -9.736 10.135 1.00 73.11 N ATOM 575 CA LYS A 36 -8.825 -10.430 9.192 1.00 74.33 C ATOM 576 C LYS A 36 -10.012 -9.548 8.780 1.00 1.32 C ATOM 577 O LYS A 36 -10.565 -9.718 7.695 1.00 74.31 O ATOM 578 CB LYS A 36 -9.329 -11.783 9.737 1.00 2.43 C ATOM 579 CG LYS A 36 -10.154 -11.719 11.026 1.00 30.34 C ATOM 580 CD LYS A 36 -9.287 -11.833 12.281 1.00 44.42 C ATOM 581 CE LYS A 36 -8.489 -13.133 12.323 1.00 51.23 C ATOM 582 NZ LYS A 36 -9.361 -14.337 12.419 1.00 23.54 N ATOM 0 H LYS A 36 -7.975 -10.085 11.093 1.00 73.11 H new ATOM 0 HA LYS A 36 -8.222 -10.637 8.308 1.00 74.33 H new ATOM 0 HB2 LYS A 36 -9.932 -12.261 8.966 1.00 2.43 H new ATOM 0 HB3 LYS A 36 -8.467 -12.426 9.912 1.00 2.43 H new ATOM 0 HG2 LYS A 36 -10.707 -10.780 11.054 1.00 30.34 H new ATOM 0 HG3 LYS A 36 -10.891 -12.522 11.023 1.00 30.34 H new ATOM 0 HD2 LYS A 36 -8.600 -10.987 12.323 1.00 44.42 H new ATOM 0 HD3 LYS A 36 -9.922 -11.772 13.165 1.00 44.42 H new ATOM 0 HE2 LYS A 36 -7.873 -13.206 11.427 1.00 51.23 H new ATOM 0 HE3 LYS A 36 -7.811 -13.111 13.176 1.00 51.23 H new ATOM 0 HZ1 LYS A 36 -8.769 -15.189 12.496 1.00 23.54 H new ATOM 0 HZ2 LYS A 36 -9.968 -14.260 13.260 1.00 23.54 H new ATOM 0 HZ3 LYS A 36 -9.956 -14.404 11.568 1.00 23.54 H new ATOM 596 N GLU A 37 -10.398 -8.605 9.644 1.00 71.35 N ATOM 597 CA GLU A 37 -11.447 -7.632 9.309 1.00 62.51 C ATOM 598 C GLU A 37 -10.970 -6.661 8.217 1.00 44.42 C ATOM 599 O GLU A 37 -11.692 -6.392 7.255 1.00 44.31 O ATOM 600 CB GLU A 37 -11.893 -6.861 10.561 1.00 31.41 C ATOM 601 CG GLU A 37 -12.642 -7.725 11.569 1.00 64.25 C ATOM 602 CD GLU A 37 -13.119 -6.952 12.791 1.00 42.15 C ATOM 603 OE1 GLU A 37 -13.561 -5.790 12.635 1.00 51.04 O ATOM 604 OE2 GLU A 37 -13.087 -7.516 13.908 1.00 60.30 O ATOM 0 H GLU A 37 -10.003 -8.493 10.578 1.00 71.35 H new ATOM 0 HA GLU A 37 -12.304 -8.182 8.921 1.00 62.51 H new ATOM 0 HB2 GLU A 37 -11.017 -6.429 11.044 1.00 31.41 H new ATOM 0 HB3 GLU A 37 -12.532 -6.031 10.259 1.00 31.41 H new ATOM 0 HG2 GLU A 37 -13.502 -8.181 11.078 1.00 64.25 H new ATOM 0 HG3 GLU A 37 -11.992 -8.538 11.893 1.00 64.25 H new ATOM 611 N PHE A 38 -9.746 -6.151 8.363 1.00 34.51 N ATOM 612 CA PHE A 38 -9.128 -5.309 7.331 1.00 60.20 C ATOM 613 C PHE A 38 -9.099 -6.040 5.982 1.00 50.32 C ATOM 614 O PHE A 38 -9.537 -5.505 4.965 1.00 32.44 O ATOM 615 CB PHE A 38 -7.703 -4.909 7.745 1.00 32.11 C ATOM 616 CG PHE A 38 -6.943 -4.165 6.668 1.00 4.35 C ATOM 617 CD1 PHE A 38 -7.139 -2.805 6.470 1.00 22.22 C ATOM 618 CD2 PHE A 38 -6.038 -4.831 5.849 1.00 5.23 C ATOM 619 CE1 PHE A 38 -6.449 -2.129 5.479 1.00 33.41 C ATOM 620 CE2 PHE A 38 -5.349 -4.158 4.859 1.00 61.42 C ATOM 621 CZ PHE A 38 -5.555 -2.806 4.673 1.00 72.20 C ATOM 0 H PHE A 38 -9.161 -6.305 9.185 1.00 34.51 H new ATOM 0 HA PHE A 38 -9.729 -4.406 7.224 1.00 60.20 H new ATOM 0 HB2 PHE A 38 -7.755 -4.285 8.637 1.00 32.11 H new ATOM 0 HB3 PHE A 38 -7.147 -5.807 8.015 1.00 32.11 H new ATOM 0 HD1 PHE A 38 -7.837 -2.269 7.096 1.00 22.22 H new ATOM 0 HD2 PHE A 38 -5.872 -5.889 5.989 1.00 5.23 H new ATOM 0 HE1 PHE A 38 -6.610 -1.071 5.336 1.00 33.41 H new ATOM 0 HE2 PHE A 38 -4.649 -4.689 4.231 1.00 61.42 H new ATOM 0 HZ PHE A 38 -5.018 -2.278 3.899 1.00 72.20 H new ATOM 631 N LEU A 39 -8.580 -7.269 5.988 1.00 74.31 N ATOM 632 CA LEU A 39 -8.549 -8.106 4.781 1.00 3.30 C ATOM 633 C LEU A 39 -9.967 -8.380 4.253 1.00 34.12 C ATOM 634 O LEU A 39 -10.190 -8.433 3.043 1.00 24.55 O ATOM 635 CB LEU A 39 -7.836 -9.434 5.075 1.00 33.25 C ATOM 636 CG LEU A 39 -6.366 -9.315 5.520 1.00 21.44 C ATOM 637 CD1 LEU A 39 -5.782 -10.692 5.827 1.00 53.31 C ATOM 638 CD2 LEU A 39 -5.533 -8.599 4.457 1.00 1.33 C ATOM 0 H LEU A 39 -8.175 -7.709 6.814 1.00 74.31 H new ATOM 0 HA LEU A 39 -7.999 -7.563 4.012 1.00 3.30 H new ATOM 0 HB2 LEU A 39 -8.391 -9.960 5.852 1.00 33.25 H new ATOM 0 HB3 LEU A 39 -7.877 -10.054 4.179 1.00 33.25 H new ATOM 0 HG LEU A 39 -6.335 -8.720 6.433 1.00 21.44 H new ATOM 0 HD11 LEU A 39 -4.743 -10.585 6.139 1.00 53.31 H new ATOM 0 HD12 LEU A 39 -6.355 -11.160 6.627 1.00 53.31 H new ATOM 0 HD13 LEU A 39 -5.830 -11.315 4.934 1.00 53.31 H new ATOM 0 HD21 LEU A 39 -4.499 -8.527 4.793 1.00 1.33 H new ATOM 0 HD22 LEU A 39 -5.573 -9.161 3.524 1.00 1.33 H new ATOM 0 HD23 LEU A 39 -5.933 -7.598 4.295 1.00 1.33 H new ATOM 650 N ASP A 40 -10.920 -8.546 5.170 1.00 51.12 N ATOM 651 CA ASP A 40 -12.317 -8.815 4.808 1.00 72.21 C ATOM 652 C ASP A 40 -12.917 -7.652 3.992 1.00 35.42 C ATOM 653 O ASP A 40 -13.437 -7.854 2.887 1.00 61.53 O ATOM 654 CB ASP A 40 -13.128 -9.048 6.090 1.00 54.01 C ATOM 655 CG ASP A 40 -14.581 -9.388 5.822 1.00 35.42 C ATOM 656 OD1 ASP A 40 -15.404 -8.458 5.726 1.00 12.01 O ATOM 657 OD2 ASP A 40 -14.912 -10.588 5.721 1.00 70.10 O ATOM 0 H ASP A 40 -10.751 -8.499 6.175 1.00 51.12 H new ATOM 0 HA ASP A 40 -12.356 -9.706 4.181 1.00 72.21 H new ATOM 0 HB2 ASP A 40 -12.671 -9.857 6.660 1.00 54.01 H new ATOM 0 HB3 ASP A 40 -13.079 -8.154 6.711 1.00 54.01 H new ATOM 662 N ASP A 41 -12.816 -6.435 4.530 1.00 13.02 N ATOM 663 CA ASP A 41 -13.264 -5.237 3.816 1.00 75.24 C ATOM 664 C ASP A 41 -12.435 -5.014 2.546 1.00 54.01 C ATOM 665 O ASP A 41 -12.975 -4.664 1.500 1.00 50.34 O ATOM 666 CB ASP A 41 -13.184 -4.001 4.722 1.00 32.54 C ATOM 667 CG ASP A 41 -14.291 -3.977 5.760 1.00 12.52 C ATOM 668 OD1 ASP A 41 -14.096 -4.526 6.863 1.00 15.10 O ATOM 669 OD2 ASP A 41 -15.364 -3.402 5.472 1.00 71.24 O ATOM 0 H ASP A 41 -12.429 -6.253 5.456 1.00 13.02 H new ATOM 0 HA ASP A 41 -14.304 -5.391 3.528 1.00 75.24 H new ATOM 0 HB2 ASP A 41 -12.217 -3.983 5.225 1.00 32.54 H new ATOM 0 HB3 ASP A 41 -13.242 -3.100 4.111 1.00 32.54 H new ATOM 674 N LEU A 42 -11.125 -5.234 2.649 1.00 73.21 N ATOM 675 CA LEU A 42 -10.214 -5.089 1.510 1.00 14.30 C ATOM 676 C LEU A 42 -10.687 -5.910 0.300 1.00 22.32 C ATOM 677 O LEU A 42 -10.923 -5.358 -0.777 1.00 63.34 O ATOM 678 CB LEU A 42 -8.793 -5.519 1.908 1.00 41.34 C ATOM 679 CG LEU A 42 -7.752 -5.487 0.775 1.00 31.43 C ATOM 680 CD1 LEU A 42 -7.554 -4.064 0.253 1.00 65.33 C ATOM 681 CD2 LEU A 42 -6.429 -6.090 1.243 1.00 74.21 C ATOM 0 H LEU A 42 -10.666 -5.515 3.516 1.00 73.21 H new ATOM 0 HA LEU A 42 -10.208 -4.037 1.223 1.00 14.30 H new ATOM 0 HB2 LEU A 42 -8.448 -4.871 2.714 1.00 41.34 H new ATOM 0 HB3 LEU A 42 -8.837 -6.531 2.310 1.00 41.34 H new ATOM 0 HG LEU A 42 -8.127 -6.093 -0.050 1.00 31.43 H new ATOM 0 HD11 LEU A 42 -6.813 -4.070 -0.547 1.00 65.33 H new ATOM 0 HD12 LEU A 42 -8.500 -3.682 -0.131 1.00 65.33 H new ATOM 0 HD13 LEU A 42 -7.207 -3.424 1.064 1.00 65.33 H new ATOM 0 HD21 LEU A 42 -5.706 -6.058 0.428 1.00 74.21 H new ATOM 0 HD22 LEU A 42 -6.047 -5.518 2.089 1.00 74.21 H new ATOM 0 HD23 LEU A 42 -6.588 -7.125 1.547 1.00 74.21 H new ATOM 693 N PHE A 43 -10.847 -7.221 0.490 1.00 22.13 N ATOM 694 CA PHE A 43 -11.261 -8.117 -0.597 1.00 11.41 C ATOM 695 C PHE A 43 -12.581 -7.658 -1.233 1.00 3.51 C ATOM 696 O PHE A 43 -12.666 -7.500 -2.448 1.00 34.13 O ATOM 697 CB PHE A 43 -11.405 -9.560 -0.093 1.00 15.55 C ATOM 698 CG PHE A 43 -10.140 -10.148 0.489 1.00 23.42 C ATOM 699 CD1 PHE A 43 -8.892 -9.787 -0.003 1.00 41.15 C ATOM 700 CD2 PHE A 43 -10.202 -11.065 1.529 1.00 23.21 C ATOM 701 CE1 PHE A 43 -7.738 -10.327 0.532 1.00 41.53 C ATOM 702 CE2 PHE A 43 -9.051 -11.605 2.066 1.00 64.43 C ATOM 703 CZ PHE A 43 -7.818 -11.237 1.567 1.00 34.24 C ATOM 0 H PHE A 43 -10.697 -7.688 1.384 1.00 22.13 H new ATOM 0 HA PHE A 43 -10.481 -8.081 -1.357 1.00 11.41 H new ATOM 0 HB2 PHE A 43 -12.188 -9.591 0.665 1.00 15.55 H new ATOM 0 HB3 PHE A 43 -11.737 -10.189 -0.919 1.00 15.55 H new ATOM 0 HD1 PHE A 43 -8.823 -9.076 -0.813 1.00 41.15 H new ATOM 0 HD2 PHE A 43 -11.163 -11.360 1.923 1.00 23.21 H new ATOM 0 HE1 PHE A 43 -6.774 -10.037 0.141 1.00 41.53 H new ATOM 0 HE2 PHE A 43 -9.115 -12.316 2.877 1.00 64.43 H new ATOM 0 HZ PHE A 43 -6.917 -11.660 1.986 1.00 34.24 H new ATOM 713 N SER A 44 -13.601 -7.431 -0.405 1.00 24.11 N ATOM 714 CA SER A 44 -14.921 -6.989 -0.896 1.00 62.52 C ATOM 715 C SER A 44 -14.838 -5.623 -1.598 1.00 22.22 C ATOM 716 O SER A 44 -15.527 -5.373 -2.591 1.00 53.31 O ATOM 717 CB SER A 44 -15.917 -6.906 0.268 1.00 44.34 C ATOM 718 OG SER A 44 -17.213 -6.517 -0.174 1.00 20.54 O ATOM 0 H SER A 44 -13.546 -7.543 0.607 1.00 24.11 H new ATOM 0 HA SER A 44 -15.263 -7.725 -1.623 1.00 62.52 H new ATOM 0 HB2 SER A 44 -15.978 -7.874 0.765 1.00 44.34 H new ATOM 0 HB3 SER A 44 -15.555 -6.191 1.007 1.00 44.34 H new ATOM 0 HG SER A 44 -17.822 -6.476 0.593 1.00 20.54 H new ATOM 724 N PHE A 45 -13.978 -4.759 -1.073 1.00 25.24 N ATOM 725 CA PHE A 45 -13.792 -3.394 -1.587 1.00 2.44 C ATOM 726 C PHE A 45 -13.164 -3.388 -2.992 1.00 74.12 C ATOM 727 O PHE A 45 -13.701 -2.791 -3.929 1.00 74.01 O ATOM 728 CB PHE A 45 -12.899 -2.622 -0.601 1.00 74.14 C ATOM 729 CG PHE A 45 -12.548 -1.215 -1.013 1.00 20.40 C ATOM 730 CD1 PHE A 45 -11.436 -0.963 -1.801 1.00 11.31 C ATOM 731 CD2 PHE A 45 -13.323 -0.145 -0.595 1.00 42.22 C ATOM 732 CE1 PHE A 45 -11.109 0.324 -2.167 1.00 60.01 C ATOM 733 CE2 PHE A 45 -12.996 1.146 -0.957 1.00 11.10 C ATOM 734 CZ PHE A 45 -11.890 1.381 -1.744 1.00 53.30 C ATOM 0 H PHE A 45 -13.383 -4.980 -0.274 1.00 25.24 H new ATOM 0 HA PHE A 45 -14.768 -2.916 -1.675 1.00 2.44 H new ATOM 0 HB2 PHE A 45 -13.401 -2.585 0.366 1.00 74.14 H new ATOM 0 HB3 PHE A 45 -11.975 -3.182 -0.459 1.00 74.14 H new ATOM 0 HD1 PHE A 45 -10.819 -1.785 -2.132 1.00 11.31 H new ATOM 0 HD2 PHE A 45 -14.192 -0.323 0.021 1.00 42.22 H new ATOM 0 HE1 PHE A 45 -10.242 0.506 -2.785 1.00 60.01 H new ATOM 0 HE2 PHE A 45 -13.607 1.972 -0.623 1.00 11.10 H new ATOM 0 HZ PHE A 45 -11.634 2.391 -2.030 1.00 53.30 H new ATOM 744 N MET A 46 -12.012 -4.039 -3.126 1.00 55.31 N ATOM 745 CA MET A 46 -11.288 -4.084 -4.403 1.00 32.12 C ATOM 746 C MET A 46 -11.989 -5.002 -5.426 1.00 14.24 C ATOM 747 O MET A 46 -11.952 -4.749 -6.632 1.00 65.41 O ATOM 748 CB MET A 46 -9.837 -4.525 -4.161 1.00 2.20 C ATOM 749 CG MET A 46 -9.709 -5.889 -3.497 1.00 35.35 C ATOM 750 SD MET A 46 -8.031 -6.233 -2.941 1.00 24.01 S ATOM 751 CE MET A 46 -7.127 -6.067 -4.474 1.00 73.23 C ATOM 0 H MET A 46 -11.555 -4.545 -2.367 1.00 55.31 H new ATOM 0 HA MET A 46 -11.285 -3.082 -4.832 1.00 32.12 H new ATOM 0 HB2 MET A 46 -9.310 -4.545 -5.115 1.00 2.20 H new ATOM 0 HB3 MET A 46 -9.341 -3.781 -3.538 1.00 2.20 H new ATOM 0 HG2 MET A 46 -10.388 -5.940 -2.646 1.00 35.35 H new ATOM 0 HG3 MET A 46 -10.021 -6.662 -4.200 1.00 35.35 H new ATOM 0 HE1 MET A 46 -6.068 -6.251 -4.294 1.00 73.23 H new ATOM 0 HE2 MET A 46 -7.503 -6.790 -5.198 1.00 73.23 H new ATOM 0 HE3 MET A 46 -7.258 -5.059 -4.866 1.00 73.23 H new ATOM 761 N GLN A 47 -12.644 -6.052 -4.931 1.00 35.41 N ATOM 762 CA GLN A 47 -13.431 -6.969 -5.775 1.00 20.34 C ATOM 763 C GLN A 47 -14.426 -6.216 -6.678 1.00 62.53 C ATOM 764 O GLN A 47 -14.414 -6.366 -7.899 1.00 24.32 O ATOM 765 CB GLN A 47 -14.204 -7.945 -4.871 1.00 2.11 C ATOM 766 CG GLN A 47 -15.330 -8.707 -5.566 1.00 72.22 C ATOM 767 CD GLN A 47 -16.229 -9.439 -4.584 1.00 61.33 C ATOM 768 OE1 GLN A 47 -17.211 -8.891 -4.090 1.00 13.31 O ATOM 769 NE2 GLN A 47 -15.909 -10.683 -4.300 1.00 15.44 N ATOM 0 H GLN A 47 -12.648 -6.295 -3.940 1.00 35.41 H new ATOM 0 HA GLN A 47 -12.738 -7.507 -6.422 1.00 20.34 H new ATOM 0 HB2 GLN A 47 -13.501 -8.665 -4.453 1.00 2.11 H new ATOM 0 HB3 GLN A 47 -14.624 -7.387 -4.034 1.00 2.11 H new ATOM 0 HG2 GLN A 47 -15.929 -8.010 -6.152 1.00 72.22 H new ATOM 0 HG3 GLN A 47 -14.901 -9.424 -6.266 1.00 72.22 H new ATOM 0 HE21 GLN A 47 -15.087 -11.108 -4.728 1.00 15.44 H new ATOM 0 HE22 GLN A 47 -16.483 -11.222 -3.652 1.00 15.44 H new ATOM 778 N LYS A 48 -15.265 -5.391 -6.058 1.00 13.50 N ATOM 779 CA LYS A 48 -16.387 -4.745 -6.750 1.00 2.42 C ATOM 780 C LYS A 48 -15.940 -3.644 -7.730 1.00 70.24 C ATOM 781 O LYS A 48 -16.728 -3.183 -8.557 1.00 22.31 O ATOM 782 CB LYS A 48 -17.373 -4.206 -5.705 1.00 33.41 C ATOM 783 CG LYS A 48 -17.996 -5.323 -4.870 1.00 50.03 C ATOM 784 CD LYS A 48 -18.827 -4.800 -3.706 1.00 54.23 C ATOM 785 CE LYS A 48 -19.549 -5.937 -2.988 1.00 62.13 C ATOM 786 NZ LYS A 48 -18.614 -7.001 -2.521 1.00 1.43 N ATOM 0 H LYS A 48 -15.192 -5.150 -5.070 1.00 13.50 H new ATOM 0 HA LYS A 48 -16.880 -5.495 -7.368 1.00 2.42 H new ATOM 0 HB2 LYS A 48 -16.856 -3.507 -5.047 1.00 33.41 H new ATOM 0 HB3 LYS A 48 -18.162 -3.647 -6.207 1.00 33.41 H new ATOM 0 HG2 LYS A 48 -18.626 -5.941 -5.511 1.00 50.03 H new ATOM 0 HG3 LYS A 48 -17.205 -5.966 -4.485 1.00 50.03 H new ATOM 0 HD2 LYS A 48 -18.182 -4.274 -3.003 1.00 54.23 H new ATOM 0 HD3 LYS A 48 -19.556 -4.077 -4.072 1.00 54.23 H new ATOM 0 HE2 LYS A 48 -20.093 -5.535 -2.133 1.00 62.13 H new ATOM 0 HE3 LYS A 48 -20.288 -6.375 -3.659 1.00 62.13 H new ATOM 0 HZ1 LYS A 48 -19.148 -7.733 -2.011 1.00 1.43 H new ATOM 0 HZ2 LYS A 48 -18.137 -7.428 -3.341 1.00 1.43 H new ATOM 0 HZ3 LYS A 48 -17.904 -6.585 -1.886 1.00 1.43 H new ATOM 800 N ARG A 49 -14.679 -3.225 -7.638 1.00 73.23 N ATOM 801 CA ARG A 49 -14.099 -2.298 -8.627 1.00 50.44 C ATOM 802 C ARG A 49 -13.222 -3.044 -9.650 1.00 15.11 C ATOM 803 O ARG A 49 -12.393 -2.441 -10.334 1.00 3.41 O ATOM 804 CB ARG A 49 -13.307 -1.172 -7.936 1.00 51.35 C ATOM 805 CG ARG A 49 -12.518 -1.614 -6.711 1.00 74.20 C ATOM 806 CD ARG A 49 -11.720 -0.465 -6.098 1.00 50.31 C ATOM 807 NE ARG A 49 -12.485 0.785 -6.034 1.00 4.34 N ATOM 808 CZ ARG A 49 -13.340 1.098 -5.092 1.00 24.25 C ATOM 809 NH1 ARG A 49 -13.667 0.242 -4.175 1.00 54.22 N ATOM 810 NH2 ARG A 49 -13.891 2.269 -5.095 1.00 71.40 N ATOM 0 H ARG A 49 -14.038 -3.506 -6.897 1.00 73.23 H new ATOM 0 HA ARG A 49 -14.925 -1.841 -9.172 1.00 50.44 H new ATOM 0 HB2 ARG A 49 -12.618 -0.734 -8.658 1.00 51.35 H new ATOM 0 HB3 ARG A 49 -14.001 -0.385 -7.641 1.00 51.35 H new ATOM 0 HG2 ARG A 49 -13.203 -2.018 -5.965 1.00 74.20 H new ATOM 0 HG3 ARG A 49 -11.838 -2.419 -6.989 1.00 74.20 H new ATOM 0 HD2 ARG A 49 -11.403 -0.744 -5.093 1.00 50.31 H new ATOM 0 HD3 ARG A 49 -10.815 -0.303 -6.684 1.00 50.31 H new ATOM 0 HE ARG A 49 -12.340 1.464 -6.781 1.00 4.34 H new ATOM 0 HH11 ARG A 49 -13.257 -0.692 -4.180 1.00 54.22 H new ATOM 0 HH12 ARG A 49 -14.334 0.502 -3.449 1.00 54.22 H new ATOM 0 HH21 ARG A 49 -13.659 2.940 -5.827 1.00 71.40 H new ATOM 0 HH22 ARG A 49 -14.558 2.521 -4.365 1.00 71.40 H new ATOM 824 N GLY A 50 -13.425 -4.358 -9.753 1.00 0.14 N ATOM 825 CA GLY A 50 -12.780 -5.148 -10.800 1.00 33.15 C ATOM 826 C GLY A 50 -11.332 -5.533 -10.505 1.00 15.11 C ATOM 827 O GLY A 50 -10.491 -5.536 -11.408 1.00 24.14 O ATOM 0 H GLY A 50 -14.027 -4.894 -9.128 1.00 0.14 H new ATOM 0 HA2 GLY A 50 -13.359 -6.058 -10.959 1.00 33.15 H new ATOM 0 HA3 GLY A 50 -12.810 -4.584 -11.732 1.00 33.15 H new ATOM 831 N THR A 51 -11.025 -5.863 -9.250 1.00 71.24 N ATOM 832 CA THR A 51 -9.667 -6.314 -8.890 1.00 12.14 C ATOM 833 C THR A 51 -9.623 -7.050 -7.539 1.00 23.23 C ATOM 834 O THR A 51 -9.402 -6.443 -6.497 1.00 60.42 O ATOM 835 CB THR A 51 -8.646 -5.140 -8.867 1.00 52.03 C ATOM 836 OG1 THR A 51 -7.383 -5.594 -8.358 1.00 23.10 O ATOM 837 CG2 THR A 51 -9.151 -3.968 -8.027 1.00 22.04 C ATOM 0 H THR A 51 -11.683 -5.830 -8.471 1.00 71.24 H new ATOM 0 HA THR A 51 -9.382 -7.017 -9.673 1.00 12.14 H new ATOM 0 HB THR A 51 -8.523 -4.790 -9.892 1.00 52.03 H new ATOM 0 HG1 THR A 51 -6.747 -4.849 -8.349 1.00 23.10 H new ATOM 0 HG21 THR A 51 -8.410 -3.168 -8.036 1.00 22.04 H new ATOM 0 HG22 THR A 51 -10.088 -3.599 -8.444 1.00 22.04 H new ATOM 0 HG23 THR A 51 -9.315 -4.299 -7.002 1.00 22.04 H new ATOM 845 N PRO A 52 -9.855 -8.377 -7.530 1.00 12.11 N ATOM 846 CA PRO A 52 -9.715 -9.194 -6.318 1.00 53.52 C ATOM 847 C PRO A 52 -8.266 -9.675 -6.093 1.00 22.23 C ATOM 848 O PRO A 52 -7.436 -9.635 -7.003 1.00 3.21 O ATOM 849 CB PRO A 52 -10.644 -10.376 -6.614 1.00 11.11 C ATOM 850 CG PRO A 52 -10.558 -10.554 -8.097 1.00 13.23 C ATOM 851 CD PRO A 52 -10.297 -9.182 -8.685 1.00 41.34 C ATOM 0 HA PRO A 52 -9.962 -8.646 -5.409 1.00 53.52 H new ATOM 0 HB2 PRO A 52 -10.324 -11.275 -6.087 1.00 11.11 H new ATOM 0 HB3 PRO A 52 -11.666 -10.167 -6.297 1.00 11.11 H new ATOM 0 HG2 PRO A 52 -9.757 -11.246 -8.358 1.00 13.23 H new ATOM 0 HG3 PRO A 52 -11.483 -10.974 -8.491 1.00 13.23 H new ATOM 0 HD2 PRO A 52 -9.533 -9.219 -9.461 1.00 41.34 H new ATOM 0 HD3 PRO A 52 -11.195 -8.766 -9.141 1.00 41.34 H new ATOM 859 N VAL A 53 -7.964 -10.139 -4.881 1.00 71.25 N ATOM 860 CA VAL A 53 -6.620 -10.640 -4.565 1.00 23.51 C ATOM 861 C VAL A 53 -6.478 -12.119 -4.953 1.00 24.21 C ATOM 862 O VAL A 53 -6.976 -13.007 -4.256 1.00 22.11 O ATOM 863 CB VAL A 53 -6.281 -10.474 -3.058 1.00 63.12 C ATOM 864 CG1 VAL A 53 -4.884 -11.016 -2.745 1.00 55.13 C ATOM 865 CG2 VAL A 53 -6.400 -9.011 -2.636 1.00 41.42 C ATOM 0 H VAL A 53 -8.624 -10.180 -4.104 1.00 71.25 H new ATOM 0 HA VAL A 53 -5.919 -10.042 -5.148 1.00 23.51 H new ATOM 0 HB VAL A 53 -7.003 -11.056 -2.485 1.00 63.12 H new ATOM 0 HG11 VAL A 53 -4.673 -10.887 -1.683 1.00 55.13 H new ATOM 0 HG12 VAL A 53 -4.840 -12.075 -2.998 1.00 55.13 H new ATOM 0 HG13 VAL A 53 -4.143 -10.472 -3.331 1.00 55.13 H new ATOM 0 HG21 VAL A 53 -6.158 -8.917 -1.577 1.00 41.42 H new ATOM 0 HG22 VAL A 53 -5.708 -8.406 -3.221 1.00 41.42 H new ATOM 0 HG23 VAL A 53 -7.419 -8.665 -2.808 1.00 41.42 H new ATOM 875 N ASN A 54 -5.822 -12.378 -6.082 1.00 41.01 N ATOM 876 CA ASN A 54 -5.564 -13.752 -6.523 1.00 45.01 C ATOM 877 C ASN A 54 -4.283 -14.304 -5.874 1.00 1.23 C ATOM 878 O ASN A 54 -4.350 -15.074 -4.913 1.00 72.44 O ATOM 879 CB ASN A 54 -5.473 -13.815 -8.052 1.00 14.34 C ATOM 880 CG ASN A 54 -5.279 -15.231 -8.562 1.00 3.22 C ATOM 881 OD1 ASN A 54 -4.157 -15.695 -8.737 1.00 2.44 O ATOM 882 ND2 ASN A 54 -6.365 -15.932 -8.798 1.00 72.21 N ATOM 0 H ASN A 54 -5.459 -11.659 -6.708 1.00 41.01 H new ATOM 0 HA ASN A 54 -6.397 -14.378 -6.203 1.00 45.01 H new ATOM 0 HB2 ASN A 54 -6.382 -13.397 -8.485 1.00 14.34 H new ATOM 0 HB3 ASN A 54 -4.644 -13.193 -8.390 1.00 14.34 H new ATOM 0 HD21 ASN A 54 -6.289 -16.891 -9.137 1.00 72.21 H new ATOM 0 HD22 ASN A 54 -7.284 -15.517 -8.642 1.00 72.21 H new ATOM 889 N ARG A 55 -3.116 -13.901 -6.384 1.00 5.53 N ATOM 890 CA ARG A 55 -1.838 -14.325 -5.792 1.00 72.43 C ATOM 891 C ARG A 55 -1.164 -13.177 -5.019 1.00 34.15 C ATOM 892 O ARG A 55 -1.383 -11.995 -5.306 1.00 24.43 O ATOM 893 CB ARG A 55 -0.884 -14.884 -6.861 1.00 33.23 C ATOM 894 CG ARG A 55 -0.460 -13.883 -7.931 1.00 64.31 C ATOM 895 CD ARG A 55 0.592 -14.475 -8.867 1.00 35.04 C ATOM 896 NE ARG A 55 0.121 -15.694 -9.531 1.00 63.03 N ATOM 897 CZ ARG A 55 0.779 -16.825 -9.553 1.00 34.00 C ATOM 898 NH1 ARG A 55 1.914 -16.946 -8.946 1.00 21.24 N ATOM 899 NH2 ARG A 55 0.297 -17.844 -10.184 1.00 32.21 N ATOM 0 H ARG A 55 -3.026 -13.289 -7.195 1.00 5.53 H new ATOM 0 HA ARG A 55 -2.063 -15.122 -5.084 1.00 72.43 H new ATOM 0 HB2 ARG A 55 0.009 -15.265 -6.366 1.00 33.23 H new ATOM 0 HB3 ARG A 55 -1.365 -15.732 -7.348 1.00 33.23 H new ATOM 0 HG2 ARG A 55 -1.332 -13.576 -8.509 1.00 64.31 H new ATOM 0 HG3 ARG A 55 -0.062 -12.987 -7.455 1.00 64.31 H new ATOM 0 HD2 ARG A 55 0.863 -13.735 -9.620 1.00 35.04 H new ATOM 0 HD3 ARG A 55 1.496 -14.698 -8.300 1.00 35.04 H new ATOM 0 HE ARG A 55 -0.780 -15.658 -10.008 1.00 63.03 H new ATOM 0 HH11 ARG A 55 2.309 -16.153 -8.440 1.00 21.24 H new ATOM 0 HH12 ARG A 55 2.414 -17.834 -8.973 1.00 21.24 H new ATOM 0 HH21 ARG A 55 -0.598 -17.768 -10.667 1.00 32.21 H new ATOM 0 HH22 ARG A 55 0.812 -18.724 -10.200 1.00 32.21 H new ATOM 913 N ILE A 56 -0.336 -13.542 -4.046 1.00 12.14 N ATOM 914 CA ILE A 56 0.285 -12.581 -3.131 1.00 62.31 C ATOM 915 C ILE A 56 1.764 -12.327 -3.483 1.00 62.14 C ATOM 916 O ILE A 56 2.526 -13.269 -3.711 1.00 11.45 O ATOM 917 CB ILE A 56 0.182 -13.099 -1.673 1.00 31.10 C ATOM 918 CG1 ILE A 56 -1.285 -13.428 -1.336 1.00 41.33 C ATOM 919 CG2 ILE A 56 0.751 -12.079 -0.687 1.00 44.40 C ATOM 920 CD1 ILE A 56 -1.467 -14.093 0.009 1.00 11.51 C ATOM 0 H ILE A 56 -0.074 -14.511 -3.866 1.00 12.14 H new ATOM 0 HA ILE A 56 -0.252 -11.637 -3.231 1.00 62.31 H new ATOM 0 HB ILE A 56 0.775 -14.009 -1.585 1.00 31.10 H new ATOM 0 HG12 ILE A 56 -1.868 -12.508 -1.358 1.00 41.33 H new ATOM 0 HG13 ILE A 56 -1.689 -14.080 -2.111 1.00 41.33 H new ATOM 0 HG21 ILE A 56 0.666 -12.468 0.328 1.00 44.40 H new ATOM 0 HG22 ILE A 56 1.800 -11.895 -0.919 1.00 44.40 H new ATOM 0 HG23 ILE A 56 0.193 -11.146 -0.766 1.00 44.40 H new ATOM 0 HD11 ILE A 56 -2.525 -14.294 0.175 1.00 11.51 H new ATOM 0 HD12 ILE A 56 -0.912 -15.031 0.029 1.00 11.51 H new ATOM 0 HD13 ILE A 56 -1.095 -13.435 0.794 1.00 11.51 H new ATOM 932 N PRO A 57 2.197 -11.048 -3.535 1.00 50.21 N ATOM 933 CA PRO A 57 3.599 -10.701 -3.827 1.00 14.15 C ATOM 934 C PRO A 57 4.575 -11.163 -2.726 1.00 51.23 C ATOM 935 O PRO A 57 4.617 -10.596 -1.632 1.00 42.55 O ATOM 936 CB PRO A 57 3.576 -9.167 -3.933 1.00 41.30 C ATOM 937 CG PRO A 57 2.376 -8.747 -3.150 1.00 30.15 C ATOM 938 CD PRO A 57 1.363 -9.845 -3.331 1.00 71.45 C ATOM 0 HA PRO A 57 3.956 -11.196 -4.730 1.00 14.15 H new ATOM 0 HB2 PRO A 57 4.487 -8.729 -3.525 1.00 41.30 H new ATOM 0 HB3 PRO A 57 3.504 -8.844 -4.971 1.00 41.30 H new ATOM 0 HG2 PRO A 57 2.624 -8.613 -2.097 1.00 30.15 H new ATOM 0 HG3 PRO A 57 1.988 -7.794 -3.510 1.00 30.15 H new ATOM 0 HD2 PRO A 57 0.719 -9.946 -2.458 1.00 71.45 H new ATOM 0 HD3 PRO A 57 0.714 -9.656 -4.186 1.00 71.45 H new ATOM 946 N ILE A 58 5.347 -12.207 -3.019 1.00 72.04 N ATOM 947 CA ILE A 58 6.337 -12.730 -2.073 1.00 10.12 C ATOM 948 C ILE A 58 7.633 -11.900 -2.109 1.00 40.11 C ATOM 949 O ILE A 58 8.350 -11.885 -3.113 1.00 54.23 O ATOM 950 CB ILE A 58 6.666 -14.216 -2.370 1.00 41.20 C ATOM 951 CG1 ILE A 58 5.381 -15.063 -2.384 1.00 65.41 C ATOM 952 CG2 ILE A 58 7.661 -14.767 -1.348 1.00 75.13 C ATOM 953 CD1 ILE A 58 4.619 -15.064 -1.071 1.00 73.20 C ATOM 0 H ILE A 58 5.308 -12.710 -3.905 1.00 72.04 H new ATOM 0 HA ILE A 58 5.899 -12.658 -1.078 1.00 10.12 H new ATOM 0 HB ILE A 58 7.126 -14.271 -3.357 1.00 41.20 H new ATOM 0 HG12 ILE A 58 4.724 -14.693 -3.171 1.00 65.41 H new ATOM 0 HG13 ILE A 58 5.640 -16.090 -2.641 1.00 65.41 H new ATOM 0 HG21 ILE A 58 7.877 -15.811 -1.576 1.00 75.13 H new ATOM 0 HG22 ILE A 58 8.584 -14.188 -1.390 1.00 75.13 H new ATOM 0 HG23 ILE A 58 7.233 -14.695 -0.348 1.00 75.13 H new ATOM 0 HD11 ILE A 58 3.728 -15.684 -1.168 1.00 73.20 H new ATOM 0 HD12 ILE A 58 5.255 -15.464 -0.281 1.00 73.20 H new ATOM 0 HD13 ILE A 58 4.326 -14.045 -0.820 1.00 73.20 H new ATOM 965 N MET A 59 7.926 -11.210 -1.008 1.00 61.33 N ATOM 966 CA MET A 59 9.117 -10.355 -0.911 1.00 24.01 C ATOM 967 C MET A 59 10.152 -10.958 0.051 1.00 1.34 C ATOM 968 O MET A 59 9.812 -11.358 1.162 1.00 64.03 O ATOM 969 CB MET A 59 8.726 -8.949 -0.430 1.00 42.00 C ATOM 970 CG MET A 59 9.915 -8.008 -0.249 1.00 52.43 C ATOM 971 SD MET A 59 10.834 -7.748 -1.777 1.00 20.13 S ATOM 972 CE MET A 59 9.622 -6.871 -2.762 1.00 74.24 C ATOM 0 H MET A 59 7.354 -11.224 -0.164 1.00 61.33 H new ATOM 0 HA MET A 59 9.562 -10.287 -1.904 1.00 24.01 H new ATOM 0 HB2 MET A 59 8.032 -8.510 -1.147 1.00 42.00 H new ATOM 0 HB3 MET A 59 8.194 -9.034 0.518 1.00 42.00 H new ATOM 0 HG2 MET A 59 9.560 -7.048 0.124 1.00 52.43 H new ATOM 0 HG3 MET A 59 10.585 -8.416 0.508 1.00 52.43 H new ATOM 0 HE1 MET A 59 10.111 -6.425 -3.628 1.00 74.24 H new ATOM 0 HE2 MET A 59 8.853 -7.567 -3.097 1.00 74.24 H new ATOM 0 HE3 MET A 59 9.163 -6.086 -2.161 1.00 74.24 H new ATOM 982 N ALA A 60 11.413 -11.015 -0.384 1.00 62.44 N ATOM 983 CA ALA A 60 12.508 -11.543 0.445 1.00 3.14 C ATOM 984 C ALA A 60 12.232 -12.982 0.919 1.00 12.22 C ATOM 985 O ALA A 60 12.674 -13.386 1.993 1.00 62.01 O ATOM 986 CB ALA A 60 12.755 -10.620 1.638 1.00 52.25 C ATOM 0 H ALA A 60 11.706 -10.701 -1.309 1.00 62.44 H new ATOM 0 HA ALA A 60 13.405 -11.576 -0.173 1.00 3.14 H new ATOM 0 HB1 ALA A 60 13.567 -11.020 2.245 1.00 52.25 H new ATOM 0 HB2 ALA A 60 13.025 -9.627 1.280 1.00 52.25 H new ATOM 0 HB3 ALA A 60 11.849 -10.555 2.241 1.00 52.25 H new ATOM 992 N LYS A 61 11.511 -13.748 0.088 1.00 3.05 N ATOM 993 CA LYS A 61 11.145 -15.142 0.394 1.00 74.24 C ATOM 994 C LYS A 61 10.065 -15.255 1.484 1.00 52.34 C ATOM 995 O LYS A 61 9.809 -16.348 2.000 1.00 55.23 O ATOM 996 CB LYS A 61 12.381 -15.976 0.785 1.00 23.50 C ATOM 997 CG LYS A 61 13.221 -16.444 -0.398 1.00 43.13 C ATOM 998 CD LYS A 61 12.412 -17.313 -1.360 1.00 70.14 C ATOM 999 CE LYS A 61 11.696 -18.462 -0.650 1.00 10.23 C ATOM 1000 NZ LYS A 61 12.638 -19.338 0.092 1.00 73.04 N ATOM 0 H LYS A 61 11.165 -13.421 -0.814 1.00 3.05 H new ATOM 0 HA LYS A 61 10.721 -15.546 -0.525 1.00 74.24 H new ATOM 0 HB2 LYS A 61 13.009 -15.383 1.450 1.00 23.50 H new ATOM 0 HB3 LYS A 61 12.052 -16.848 1.350 1.00 23.50 H new ATOM 0 HG2 LYS A 61 13.612 -15.578 -0.932 1.00 43.13 H new ATOM 0 HG3 LYS A 61 14.080 -17.008 -0.034 1.00 43.13 H new ATOM 0 HD2 LYS A 61 11.677 -16.693 -1.874 1.00 70.14 H new ATOM 0 HD3 LYS A 61 13.076 -17.719 -2.123 1.00 70.14 H new ATOM 0 HE2 LYS A 61 10.959 -18.056 0.042 1.00 10.23 H new ATOM 0 HE3 LYS A 61 11.151 -19.056 -1.383 1.00 10.23 H new ATOM 0 HZ1 LYS A 61 12.117 -20.140 0.501 1.00 73.04 H new ATOM 0 HZ2 LYS A 61 13.367 -19.694 -0.559 1.00 73.04 H new ATOM 0 HZ3 LYS A 61 13.090 -18.794 0.855 1.00 73.04 H new ATOM 1014 N GLN A 62 9.422 -14.140 1.824 1.00 55.15 N ATOM 1015 CA GLN A 62 8.302 -14.158 2.772 1.00 12.32 C ATOM 1016 C GLN A 62 7.096 -13.390 2.213 1.00 72.45 C ATOM 1017 O GLN A 62 7.224 -12.584 1.288 1.00 11.54 O ATOM 1018 CB GLN A 62 8.721 -13.568 4.128 1.00 41.11 C ATOM 1019 CG GLN A 62 9.053 -12.080 4.090 1.00 43.32 C ATOM 1020 CD GLN A 62 9.399 -11.524 5.461 1.00 44.22 C ATOM 1021 OE1 GLN A 62 10.553 -11.516 5.874 1.00 45.21 O ATOM 1022 NE2 GLN A 62 8.398 -11.062 6.187 1.00 3.32 N ATOM 0 H GLN A 62 9.653 -13.215 1.461 1.00 55.15 H new ATOM 0 HA GLN A 62 8.012 -15.198 2.920 1.00 12.32 H new ATOM 0 HB2 GLN A 62 7.917 -13.731 4.846 1.00 41.11 H new ATOM 0 HB3 GLN A 62 9.591 -14.113 4.495 1.00 41.11 H new ATOM 0 HG2 GLN A 62 9.891 -11.916 3.413 1.00 43.32 H new ATOM 0 HG3 GLN A 62 8.203 -11.532 3.684 1.00 43.32 H new ATOM 0 HE21 GLN A 62 7.448 -11.082 5.817 1.00 3.32 H new ATOM 0 HE22 GLN A 62 8.575 -10.685 7.118 1.00 3.32 H new ATOM 1031 N VAL A 63 5.924 -13.654 2.772 1.00 4.21 N ATOM 1032 CA VAL A 63 4.698 -12.977 2.348 1.00 30.10 C ATOM 1033 C VAL A 63 4.728 -11.476 2.688 1.00 22.32 C ATOM 1034 O VAL A 63 5.051 -11.084 3.817 1.00 3.32 O ATOM 1035 CB VAL A 63 3.446 -13.632 2.992 1.00 23.51 C ATOM 1036 CG1 VAL A 63 3.561 -13.665 4.514 1.00 43.01 C ATOM 1037 CG2 VAL A 63 2.172 -12.908 2.559 1.00 20.15 C ATOM 0 H VAL A 63 5.792 -14.333 3.522 1.00 4.21 H new ATOM 0 HA VAL A 63 4.638 -13.083 1.265 1.00 30.10 H new ATOM 0 HB VAL A 63 3.390 -14.662 2.640 1.00 23.51 H new ATOM 0 HG11 VAL A 63 2.670 -14.129 4.936 1.00 43.01 H new ATOM 0 HG12 VAL A 63 4.441 -14.242 4.800 1.00 43.01 H new ATOM 0 HG13 VAL A 63 3.655 -12.648 4.894 1.00 43.01 H new ATOM 0 HG21 VAL A 63 1.308 -13.384 3.022 1.00 20.15 H new ATOM 0 HG22 VAL A 63 2.222 -11.865 2.871 1.00 20.15 H new ATOM 0 HG23 VAL A 63 2.076 -12.958 1.474 1.00 20.15 H new ATOM 1047 N LEU A 64 4.400 -10.636 1.705 1.00 14.44 N ATOM 1048 CA LEU A 64 4.327 -9.192 1.925 1.00 14.10 C ATOM 1049 C LEU A 64 3.133 -8.846 2.822 1.00 74.14 C ATOM 1050 O LEU A 64 1.975 -8.990 2.426 1.00 61.32 O ATOM 1051 CB LEU A 64 4.218 -8.443 0.588 1.00 21.00 C ATOM 1052 CG LEU A 64 4.174 -6.906 0.691 1.00 34.52 C ATOM 1053 CD1 LEU A 64 5.435 -6.367 1.363 1.00 63.13 C ATOM 1054 CD2 LEU A 64 3.987 -6.277 -0.689 1.00 20.10 C ATOM 0 H LEU A 64 4.182 -10.930 0.753 1.00 14.44 H new ATOM 0 HA LEU A 64 5.244 -8.878 2.424 1.00 14.10 H new ATOM 0 HB2 LEU A 64 5.066 -8.724 -0.036 1.00 21.00 H new ATOM 0 HB3 LEU A 64 3.318 -8.781 0.074 1.00 21.00 H new ATOM 0 HG LEU A 64 3.319 -6.634 1.310 1.00 34.52 H new ATOM 0 HD11 LEU A 64 5.379 -5.280 1.423 1.00 63.13 H new ATOM 0 HD12 LEU A 64 5.518 -6.782 2.367 1.00 63.13 H new ATOM 0 HD13 LEU A 64 6.309 -6.653 0.779 1.00 63.13 H new ATOM 0 HD21 LEU A 64 3.959 -5.192 -0.593 1.00 20.10 H new ATOM 0 HD22 LEU A 64 4.817 -6.563 -1.335 1.00 20.10 H new ATOM 0 HD23 LEU A 64 3.051 -6.627 -1.125 1.00 20.10 H new ATOM 1066 N ASP A 65 3.431 -8.405 4.039 1.00 64.34 N ATOM 1067 CA ASP A 65 2.402 -8.086 5.025 1.00 13.12 C ATOM 1068 C ASP A 65 1.514 -6.918 4.556 1.00 10.31 C ATOM 1069 O ASP A 65 1.785 -5.760 4.870 1.00 11.25 O ATOM 1070 CB ASP A 65 3.064 -7.758 6.371 1.00 4.51 C ATOM 1071 CG ASP A 65 2.448 -8.532 7.513 1.00 65.32 C ATOM 1072 OD1 ASP A 65 1.289 -8.234 7.876 1.00 23.41 O ATOM 1073 OD2 ASP A 65 3.113 -9.446 8.041 1.00 63.33 O ATOM 0 H ASP A 65 4.385 -8.259 4.369 1.00 64.34 H new ATOM 0 HA ASP A 65 1.756 -8.956 5.144 1.00 13.12 H new ATOM 0 HB2 ASP A 65 4.129 -7.983 6.315 1.00 4.51 H new ATOM 0 HB3 ASP A 65 2.974 -6.690 6.568 1.00 4.51 H new ATOM 1078 N LEU A 66 0.466 -7.232 3.790 1.00 63.00 N ATOM 1079 CA LEU A 66 -0.456 -6.213 3.262 1.00 23.21 C ATOM 1080 C LEU A 66 -1.066 -5.347 4.379 1.00 72.13 C ATOM 1081 O LEU A 66 -1.184 -4.128 4.241 1.00 2.45 O ATOM 1082 CB LEU A 66 -1.576 -6.877 2.444 1.00 14.34 C ATOM 1083 CG LEU A 66 -1.109 -7.680 1.213 1.00 45.13 C ATOM 1084 CD1 LEU A 66 -2.300 -8.330 0.509 1.00 73.42 C ATOM 1085 CD2 LEU A 66 -0.328 -6.786 0.248 1.00 40.21 C ATOM 0 H LEU A 66 0.231 -8.187 3.519 1.00 63.00 H new ATOM 0 HA LEU A 66 0.127 -5.556 2.616 1.00 23.21 H new ATOM 0 HB2 LEU A 66 -2.136 -7.543 3.100 1.00 14.34 H new ATOM 0 HB3 LEU A 66 -2.267 -6.103 2.111 1.00 14.34 H new ATOM 0 HG LEU A 66 -0.443 -8.472 1.555 1.00 45.13 H new ATOM 0 HD11 LEU A 66 -1.949 -8.892 -0.357 1.00 73.42 H new ATOM 0 HD12 LEU A 66 -2.806 -9.005 1.199 1.00 73.42 H new ATOM 0 HD13 LEU A 66 -2.996 -7.557 0.182 1.00 73.42 H new ATOM 0 HD21 LEU A 66 -0.008 -7.373 -0.613 1.00 40.21 H new ATOM 0 HD22 LEU A 66 -0.966 -5.968 -0.087 1.00 40.21 H new ATOM 0 HD23 LEU A 66 0.547 -6.380 0.756 1.00 40.21 H new ATOM 1097 N PHE A 67 -1.444 -5.983 5.489 1.00 10.15 N ATOM 1098 CA PHE A 67 -2.022 -5.267 6.634 1.00 43.10 C ATOM 1099 C PHE A 67 -1.031 -4.237 7.206 1.00 32.13 C ATOM 1100 O PHE A 67 -1.362 -3.059 7.369 1.00 4.43 O ATOM 1101 CB PHE A 67 -2.435 -6.274 7.722 1.00 41.52 C ATOM 1102 CG PHE A 67 -2.970 -5.638 8.983 1.00 23.30 C ATOM 1103 CD1 PHE A 67 -4.266 -5.144 9.033 1.00 64.43 C ATOM 1104 CD2 PHE A 67 -2.176 -5.534 10.118 1.00 41.22 C ATOM 1105 CE1 PHE A 67 -4.758 -4.561 10.185 1.00 24.41 C ATOM 1106 CE2 PHE A 67 -2.664 -4.954 11.272 1.00 31.45 C ATOM 1107 CZ PHE A 67 -3.956 -4.465 11.304 1.00 74.10 C ATOM 0 H PHE A 67 -1.362 -6.991 5.622 1.00 10.15 H new ATOM 0 HA PHE A 67 -2.903 -4.725 6.291 1.00 43.10 H new ATOM 0 HB2 PHE A 67 -3.195 -6.941 7.314 1.00 41.52 H new ATOM 0 HB3 PHE A 67 -1.573 -6.890 7.977 1.00 41.52 H new ATOM 0 HD1 PHE A 67 -4.898 -5.216 8.160 1.00 64.43 H new ATOM 0 HD2 PHE A 67 -1.164 -5.912 10.098 1.00 41.22 H new ATOM 0 HE1 PHE A 67 -5.769 -4.181 10.210 1.00 24.41 H new ATOM 0 HE2 PHE A 67 -2.037 -4.883 12.148 1.00 31.45 H new ATOM 0 HZ PHE A 67 -4.338 -4.008 12.205 1.00 74.10 H new ATOM 1117 N MET A 68 0.195 -4.681 7.479 1.00 13.34 N ATOM 1118 CA MET A 68 1.235 -3.793 8.009 1.00 60.34 C ATOM 1119 C MET A 68 1.678 -2.771 6.955 1.00 2.03 C ATOM 1120 O MET A 68 2.051 -1.650 7.286 1.00 23.45 O ATOM 1121 CB MET A 68 2.445 -4.603 8.486 1.00 52.23 C ATOM 1122 CG MET A 68 2.125 -5.602 9.588 1.00 31.21 C ATOM 1123 SD MET A 68 1.454 -4.829 11.077 1.00 72.24 S ATOM 1124 CE MET A 68 2.800 -3.734 11.530 1.00 1.12 C ATOM 0 H MET A 68 0.494 -5.647 7.343 1.00 13.34 H new ATOM 0 HA MET A 68 0.810 -3.255 8.857 1.00 60.34 H new ATOM 0 HB2 MET A 68 2.869 -5.138 7.636 1.00 52.23 H new ATOM 0 HB3 MET A 68 3.211 -3.916 8.844 1.00 52.23 H new ATOM 0 HG2 MET A 68 1.409 -6.332 9.211 1.00 31.21 H new ATOM 0 HG3 MET A 68 3.031 -6.149 9.847 1.00 31.21 H new ATOM 0 HE1 MET A 68 2.670 -3.404 12.561 1.00 1.12 H new ATOM 0 HE2 MET A 68 3.748 -4.264 11.436 1.00 1.12 H new ATOM 0 HE3 MET A 68 2.802 -2.867 10.869 1.00 1.12 H new ATOM 1134 N LEU A 69 1.627 -3.167 5.685 1.00 51.32 N ATOM 1135 CA LEU A 69 2.000 -2.283 4.577 1.00 10.51 C ATOM 1136 C LEU A 69 1.114 -1.029 4.562 1.00 11.13 C ATOM 1137 O LEU A 69 1.610 0.097 4.510 1.00 14.32 O ATOM 1138 CB LEU A 69 1.888 -3.034 3.241 1.00 13.11 C ATOM 1139 CG LEU A 69 2.471 -2.301 2.023 1.00 34.20 C ATOM 1140 CD1 LEU A 69 3.963 -2.046 2.215 1.00 52.51 C ATOM 1141 CD2 LEU A 69 2.216 -3.095 0.742 1.00 64.01 C ATOM 0 H LEU A 69 1.330 -4.098 5.394 1.00 51.32 H new ATOM 0 HA LEU A 69 3.034 -1.968 4.718 1.00 10.51 H new ATOM 0 HB2 LEU A 69 2.392 -3.996 3.341 1.00 13.11 H new ATOM 0 HB3 LEU A 69 0.836 -3.244 3.048 1.00 13.11 H new ATOM 0 HG LEU A 69 1.970 -1.338 1.929 1.00 34.20 H new ATOM 0 HD11 LEU A 69 4.359 -1.526 1.342 1.00 52.51 H new ATOM 0 HD12 LEU A 69 4.116 -1.433 3.103 1.00 52.51 H new ATOM 0 HD13 LEU A 69 4.482 -2.997 2.337 1.00 52.51 H new ATOM 0 HD21 LEU A 69 2.637 -2.559 -0.108 1.00 64.01 H new ATOM 0 HD22 LEU A 69 2.686 -4.075 0.822 1.00 64.01 H new ATOM 0 HD23 LEU A 69 1.143 -3.218 0.598 1.00 64.01 H new ATOM 1153 N TYR A 70 -0.202 -1.237 4.625 1.00 72.21 N ATOM 1154 CA TYR A 70 -1.161 -0.130 4.710 1.00 73.23 C ATOM 1155 C TYR A 70 -0.862 0.768 5.925 1.00 62.33 C ATOM 1156 O TYR A 70 -0.876 1.995 5.827 1.00 50.04 O ATOM 1157 CB TYR A 70 -2.588 -0.687 4.796 1.00 21.15 C ATOM 1158 CG TYR A 70 -3.669 0.375 4.936 1.00 60.35 C ATOM 1159 CD1 TYR A 70 -4.109 1.097 3.832 1.00 0.32 C ATOM 1160 CD2 TYR A 70 -4.252 0.648 6.172 1.00 1.24 C ATOM 1161 CE1 TYR A 70 -5.095 2.060 3.955 1.00 55.31 C ATOM 1162 CE2 TYR A 70 -5.236 1.608 6.300 1.00 22.10 C ATOM 1163 CZ TYR A 70 -5.654 2.309 5.191 1.00 23.20 C ATOM 1164 OH TYR A 70 -6.635 3.268 5.320 1.00 51.14 O ATOM 0 H TYR A 70 -0.630 -2.163 4.619 1.00 72.21 H new ATOM 0 HA TYR A 70 -1.067 0.480 3.812 1.00 73.23 H new ATOM 0 HB2 TYR A 70 -2.789 -1.277 3.902 1.00 21.15 H new ATOM 0 HB3 TYR A 70 -2.650 -1.366 5.647 1.00 21.15 H new ATOM 0 HD1 TYR A 70 -3.674 0.903 2.863 1.00 0.32 H new ATOM 0 HD2 TYR A 70 -3.929 0.099 7.044 1.00 1.24 H new ATOM 0 HE1 TYR A 70 -5.425 2.613 3.088 1.00 55.31 H new ATOM 0 HE2 TYR A 70 -5.676 1.808 7.266 1.00 22.10 H new ATOM 0 HH TYR A 70 -6.923 3.318 6.255 1.00 51.14 H new ATOM 1174 N VAL A 71 -0.589 0.144 7.070 1.00 22.31 N ATOM 1175 CA VAL A 71 -0.237 0.882 8.289 1.00 43.44 C ATOM 1176 C VAL A 71 1.030 1.738 8.091 1.00 72.04 C ATOM 1177 O VAL A 71 1.053 2.921 8.437 1.00 42.34 O ATOM 1178 CB VAL A 71 -0.025 -0.084 9.484 1.00 54.24 C ATOM 1179 CG1 VAL A 71 0.359 0.682 10.749 1.00 21.23 C ATOM 1180 CG2 VAL A 71 -1.276 -0.930 9.720 1.00 51.40 C ATOM 0 H VAL A 71 -0.604 -0.870 7.182 1.00 22.31 H new ATOM 0 HA VAL A 71 -1.073 1.546 8.508 1.00 43.44 H new ATOM 0 HB VAL A 71 0.799 -0.752 9.236 1.00 54.24 H new ATOM 0 HG11 VAL A 71 0.501 -0.020 11.570 1.00 21.23 H new ATOM 0 HG12 VAL A 71 1.285 1.230 10.575 1.00 21.23 H new ATOM 0 HG13 VAL A 71 -0.435 1.383 11.005 1.00 21.23 H new ATOM 0 HG21 VAL A 71 -1.108 -1.601 10.562 1.00 51.40 H new ATOM 0 HG22 VAL A 71 -2.121 -0.277 9.940 1.00 51.40 H new ATOM 0 HG23 VAL A 71 -1.493 -1.516 8.827 1.00 51.40 H new ATOM 1190 N LEU A 72 2.069 1.132 7.517 1.00 43.11 N ATOM 1191 CA LEU A 72 3.349 1.813 7.279 1.00 33.11 C ATOM 1192 C LEU A 72 3.215 2.973 6.276 1.00 21.51 C ATOM 1193 O LEU A 72 3.845 4.015 6.440 1.00 32.05 O ATOM 1194 CB LEU A 72 4.410 0.805 6.788 1.00 41.21 C ATOM 1195 CG LEU A 72 5.263 0.137 7.887 1.00 21.54 C ATOM 1196 CD1 LEU A 72 6.168 1.164 8.558 1.00 12.15 C ATOM 1197 CD2 LEU A 72 4.387 -0.558 8.927 1.00 21.24 C ATOM 0 H LEU A 72 2.052 0.161 7.204 1.00 43.11 H new ATOM 0 HA LEU A 72 3.668 2.240 8.230 1.00 33.11 H new ATOM 0 HB2 LEU A 72 3.905 0.023 6.221 1.00 41.21 H new ATOM 0 HB3 LEU A 72 5.079 1.318 6.097 1.00 41.21 H new ATOM 0 HG LEU A 72 5.884 -0.622 7.410 1.00 21.54 H new ATOM 0 HD11 LEU A 72 6.762 0.676 9.330 1.00 12.15 H new ATOM 0 HD12 LEU A 72 6.831 1.605 7.814 1.00 12.15 H new ATOM 0 HD13 LEU A 72 5.558 1.946 9.010 1.00 12.15 H new ATOM 0 HD21 LEU A 72 5.019 -1.018 9.686 1.00 21.24 H new ATOM 0 HD22 LEU A 72 3.730 0.174 9.397 1.00 21.24 H new ATOM 0 HD23 LEU A 72 3.786 -1.327 8.441 1.00 21.24 H new ATOM 1209 N VAL A 73 2.404 2.793 5.239 1.00 71.12 N ATOM 1210 CA VAL A 73 2.211 3.837 4.226 1.00 54.41 C ATOM 1211 C VAL A 73 1.356 5.003 4.762 1.00 50.40 C ATOM 1212 O VAL A 73 1.693 6.177 4.569 1.00 11.55 O ATOM 1213 CB VAL A 73 1.565 3.257 2.943 1.00 30.51 C ATOM 1214 CG1 VAL A 73 1.273 4.360 1.927 1.00 10.11 C ATOM 1215 CG2 VAL A 73 2.467 2.185 2.330 1.00 51.24 C ATOM 0 H VAL A 73 1.870 1.940 5.074 1.00 71.12 H new ATOM 0 HA VAL A 73 3.199 4.225 3.979 1.00 54.41 H new ATOM 0 HB VAL A 73 0.616 2.797 3.219 1.00 30.51 H new ATOM 0 HG11 VAL A 73 0.820 3.924 1.037 1.00 10.11 H new ATOM 0 HG12 VAL A 73 0.587 5.086 2.365 1.00 10.11 H new ATOM 0 HG13 VAL A 73 2.203 4.859 1.654 1.00 10.11 H new ATOM 0 HG21 VAL A 73 1.999 1.787 1.429 1.00 51.24 H new ATOM 0 HG22 VAL A 73 3.432 2.624 2.074 1.00 51.24 H new ATOM 0 HG23 VAL A 73 2.614 1.379 3.049 1.00 51.24 H new ATOM 1225 N THR A 74 0.258 4.681 5.448 1.00 4.45 N ATOM 1226 CA THR A 74 -0.633 5.710 6.016 1.00 52.40 C ATOM 1227 C THR A 74 0.077 6.560 7.079 1.00 54.55 C ATOM 1228 O THR A 74 -0.088 7.780 7.110 1.00 1.41 O ATOM 1229 CB THR A 74 -1.912 5.107 6.645 1.00 64.01 C ATOM 1230 OG1 THR A 74 -1.568 4.189 7.696 1.00 55.44 O ATOM 1231 CG2 THR A 74 -2.763 4.396 5.598 1.00 24.40 C ATOM 0 H THR A 74 -0.040 3.722 5.626 1.00 4.45 H new ATOM 0 HA THR A 74 -0.917 6.340 5.173 1.00 52.40 H new ATOM 0 HB THR A 74 -2.495 5.929 7.060 1.00 64.01 H new ATOM 0 HG1 THR A 74 -1.305 3.329 7.306 1.00 55.44 H new ATOM 0 HG21 THR A 74 -3.654 3.984 6.072 1.00 24.40 H new ATOM 0 HG22 THR A 74 -3.059 5.106 4.826 1.00 24.40 H new ATOM 0 HG23 THR A 74 -2.186 3.589 5.147 1.00 24.40 H new ATOM 1239 N GLU A 75 0.876 5.921 7.941 1.00 3.12 N ATOM 1240 CA GLU A 75 1.601 6.649 8.997 1.00 50.22 C ATOM 1241 C GLU A 75 2.613 7.651 8.412 1.00 1.45 C ATOM 1242 O GLU A 75 3.135 8.509 9.127 1.00 24.12 O ATOM 1243 CB GLU A 75 2.325 5.680 9.951 1.00 11.21 C ATOM 1244 CG GLU A 75 3.475 4.907 9.311 1.00 4.32 C ATOM 1245 CD GLU A 75 4.282 4.098 10.318 1.00 52.40 C ATOM 1246 OE1 GLU A 75 3.785 3.056 10.790 1.00 13.10 O ATOM 1247 OE2 GLU A 75 5.418 4.511 10.649 1.00 34.01 O ATOM 0 H GLU A 75 1.038 4.914 7.932 1.00 3.12 H new ATOM 0 HA GLU A 75 0.852 7.206 9.560 1.00 50.22 H new ATOM 0 HB2 GLU A 75 2.711 6.245 10.799 1.00 11.21 H new ATOM 0 HB3 GLU A 75 1.600 4.968 10.345 1.00 11.21 H new ATOM 0 HG2 GLU A 75 3.076 4.236 8.551 1.00 4.32 H new ATOM 0 HG3 GLU A 75 4.137 5.607 8.802 1.00 4.32 H new ATOM 1254 N LYS A 76 2.901 7.530 7.114 1.00 21.13 N ATOM 1255 CA LYS A 76 3.799 8.471 6.435 1.00 31.02 C ATOM 1256 C LYS A 76 3.006 9.593 5.744 1.00 10.03 C ATOM 1257 O LYS A 76 3.539 10.677 5.503 1.00 21.33 O ATOM 1258 CB LYS A 76 4.673 7.738 5.406 1.00 75.32 C ATOM 1259 CG LYS A 76 5.467 6.568 5.988 1.00 42.55 C ATOM 1260 CD LYS A 76 6.284 6.980 7.210 1.00 2.15 C ATOM 1261 CE LYS A 76 7.044 5.803 7.810 1.00 45.03 C ATOM 1262 NZ LYS A 76 7.711 6.174 9.087 1.00 61.44 N ATOM 0 H LYS A 76 2.528 6.794 6.514 1.00 21.13 H new ATOM 0 HA LYS A 76 4.443 8.919 7.192 1.00 31.02 H new ATOM 0 HB2 LYS A 76 4.037 7.368 4.602 1.00 75.32 H new ATOM 0 HB3 LYS A 76 5.368 8.450 4.961 1.00 75.32 H new ATOM 0 HG2 LYS A 76 4.781 5.767 6.264 1.00 42.55 H new ATOM 0 HG3 LYS A 76 6.134 6.168 5.225 1.00 42.55 H new ATOM 0 HD2 LYS A 76 6.989 7.762 6.928 1.00 2.15 H new ATOM 0 HD3 LYS A 76 5.621 7.406 7.963 1.00 2.15 H new ATOM 0 HE2 LYS A 76 6.356 4.976 7.985 1.00 45.03 H new ATOM 0 HE3 LYS A 76 7.790 5.451 7.098 1.00 45.03 H new ATOM 0 HZ1 LYS A 76 8.688 5.818 9.084 1.00 61.44 H new ATOM 0 HZ2 LYS A 76 7.720 7.209 9.186 1.00 61.44 H new ATOM 0 HZ3 LYS A 76 7.192 5.754 9.884 1.00 61.44 H new ATOM 1276 N GLY A 77 1.731 9.328 5.436 1.00 64.10 N ATOM 1277 CA GLY A 77 0.882 10.331 4.786 1.00 74.11 C ATOM 1278 C GLY A 77 0.067 9.786 3.611 1.00 51.21 C ATOM 1279 O GLY A 77 -0.894 10.419 3.171 1.00 10.51 O ATOM 0 H GLY A 77 1.269 8.438 5.624 1.00 64.10 H new ATOM 0 HA2 GLY A 77 0.200 10.749 5.526 1.00 74.11 H new ATOM 0 HA3 GLY A 77 1.509 11.149 4.432 1.00 74.11 H new ATOM 1283 N GLY A 78 0.448 8.619 3.098 1.00 32.13 N ATOM 1284 CA GLY A 78 -0.241 8.037 1.943 1.00 23.52 C ATOM 1285 C GLY A 78 0.720 7.630 0.829 1.00 31.44 C ATOM 1286 O GLY A 78 1.888 8.027 0.836 1.00 13.23 O ATOM 0 H GLY A 78 1.222 8.060 3.457 1.00 32.13 H new ATOM 0 HA2 GLY A 78 -0.808 7.164 2.265 1.00 23.52 H new ATOM 0 HA3 GLY A 78 -0.960 8.758 1.552 1.00 23.52 H new ATOM 1290 N LEU A 79 0.231 6.843 -0.136 1.00 33.03 N ATOM 1291 CA LEU A 79 1.077 6.314 -1.219 1.00 33.23 C ATOM 1292 C LEU A 79 1.915 7.409 -1.902 1.00 15.13 C ATOM 1293 O LEU A 79 3.143 7.312 -1.962 1.00 50.43 O ATOM 1294 CB LEU A 79 0.224 5.583 -2.271 1.00 42.21 C ATOM 1295 CG LEU A 79 1.004 5.020 -3.477 1.00 41.32 C ATOM 1296 CD1 LEU A 79 2.114 4.076 -3.021 1.00 15.13 C ATOM 1297 CD2 LEU A 79 0.061 4.312 -4.447 1.00 43.33 C ATOM 0 H LEU A 79 -0.746 6.557 -0.192 1.00 33.03 H new ATOM 0 HA LEU A 79 1.768 5.609 -0.756 1.00 33.23 H new ATOM 0 HB2 LEU A 79 -0.300 4.761 -1.783 1.00 42.21 H new ATOM 0 HB3 LEU A 79 -0.536 6.271 -2.640 1.00 42.21 H new ATOM 0 HG LEU A 79 1.467 5.858 -3.997 1.00 41.32 H new ATOM 0 HD11 LEU A 79 2.647 3.694 -3.892 1.00 15.13 H new ATOM 0 HD12 LEU A 79 2.809 4.616 -2.378 1.00 15.13 H new ATOM 0 HD13 LEU A 79 1.679 3.243 -2.468 1.00 15.13 H new ATOM 0 HD21 LEU A 79 0.632 3.923 -5.290 1.00 43.33 H new ATOM 0 HD22 LEU A 79 -0.437 3.489 -3.935 1.00 43.33 H new ATOM 0 HD23 LEU A 79 -0.686 5.019 -4.810 1.00 43.33 H new ATOM 1309 N VAL A 80 1.252 8.445 -2.413 1.00 61.51 N ATOM 1310 CA VAL A 80 1.943 9.525 -3.129 1.00 45.20 C ATOM 1311 C VAL A 80 3.018 10.193 -2.255 1.00 42.21 C ATOM 1312 O VAL A 80 4.126 10.461 -2.721 1.00 20.12 O ATOM 1313 CB VAL A 80 0.955 10.601 -3.630 1.00 11.41 C ATOM 1314 CG1 VAL A 80 1.684 11.650 -4.466 1.00 1.01 C ATOM 1315 CG2 VAL A 80 -0.174 9.955 -4.431 1.00 14.10 C ATOM 0 H VAL A 80 0.241 8.563 -2.347 1.00 61.51 H new ATOM 0 HA VAL A 80 2.426 9.060 -3.988 1.00 45.20 H new ATOM 0 HB VAL A 80 0.518 11.101 -2.766 1.00 11.41 H new ATOM 0 HG11 VAL A 80 0.972 12.400 -4.810 1.00 1.01 H new ATOM 0 HG12 VAL A 80 2.451 12.130 -3.859 1.00 1.01 H new ATOM 0 HG13 VAL A 80 2.150 11.170 -5.327 1.00 1.01 H new ATOM 0 HG21 VAL A 80 -0.862 10.726 -4.777 1.00 14.10 H new ATOM 0 HG22 VAL A 80 0.244 9.429 -5.290 1.00 14.10 H new ATOM 0 HG23 VAL A 80 -0.710 9.248 -3.798 1.00 14.10 H new ATOM 1325 N GLU A 81 2.688 10.444 -0.987 1.00 1.13 N ATOM 1326 CA GLU A 81 3.650 11.013 -0.033 1.00 62.42 C ATOM 1327 C GLU A 81 4.923 10.153 0.019 1.00 2.12 C ATOM 1328 O GLU A 81 6.044 10.661 -0.068 1.00 23.42 O ATOM 1329 CB GLU A 81 3.023 11.097 1.370 1.00 21.22 C ATOM 1330 CG GLU A 81 3.925 11.734 2.428 1.00 74.02 C ATOM 1331 CD GLU A 81 4.101 13.235 2.240 1.00 24.11 C ATOM 1332 OE1 GLU A 81 5.032 13.648 1.521 1.00 74.12 O ATOM 1333 OE2 GLU A 81 3.308 14.009 2.812 1.00 52.15 O ATOM 0 H GLU A 81 1.764 10.264 -0.594 1.00 1.13 H new ATOM 0 HA GLU A 81 3.913 12.017 -0.366 1.00 62.42 H new ATOM 0 HB2 GLU A 81 2.097 11.669 1.307 1.00 21.22 H new ATOM 0 HB3 GLU A 81 2.755 10.092 1.696 1.00 21.22 H new ATOM 0 HG2 GLU A 81 3.505 11.545 3.416 1.00 74.02 H new ATOM 0 HG3 GLU A 81 4.903 11.253 2.400 1.00 74.02 H new ATOM 1340 N VAL A 82 4.730 8.841 0.129 1.00 4.32 N ATOM 1341 CA VAL A 82 5.844 7.891 0.172 1.00 0.51 C ATOM 1342 C VAL A 82 6.650 7.905 -1.142 1.00 31.21 C ATOM 1343 O VAL A 82 7.879 7.802 -1.129 1.00 45.42 O ATOM 1344 CB VAL A 82 5.341 6.450 0.462 1.00 61.04 C ATOM 1345 CG1 VAL A 82 6.508 5.468 0.557 1.00 13.32 C ATOM 1346 CG2 VAL A 82 4.506 6.417 1.743 1.00 53.35 C ATOM 0 H VAL A 82 3.809 8.408 0.190 1.00 4.32 H new ATOM 0 HA VAL A 82 6.500 8.206 0.984 1.00 0.51 H new ATOM 0 HB VAL A 82 4.709 6.142 -0.371 1.00 61.04 H new ATOM 0 HG11 VAL A 82 6.126 4.468 0.761 1.00 13.32 H new ATOM 0 HG12 VAL A 82 7.056 5.462 -0.385 1.00 13.32 H new ATOM 0 HG13 VAL A 82 7.175 5.773 1.363 1.00 13.32 H new ATOM 0 HG21 VAL A 82 4.163 5.399 1.928 1.00 53.35 H new ATOM 0 HG22 VAL A 82 5.114 6.753 2.583 1.00 53.35 H new ATOM 0 HG23 VAL A 82 3.644 7.075 1.633 1.00 53.35 H new ATOM 1356 N ILE A 83 5.951 8.054 -2.268 1.00 41.42 N ATOM 1357 CA ILE A 83 6.597 8.093 -3.589 1.00 24.35 C ATOM 1358 C ILE A 83 7.391 9.400 -3.798 1.00 64.31 C ATOM 1359 O ILE A 83 8.452 9.403 -4.429 1.00 1.32 O ATOM 1360 CB ILE A 83 5.551 7.925 -4.727 1.00 54.41 C ATOM 1361 CG1 ILE A 83 4.796 6.596 -4.567 1.00 54.25 C ATOM 1362 CG2 ILE A 83 6.218 7.990 -6.100 1.00 54.40 C ATOM 1363 CD1 ILE A 83 3.742 6.354 -5.630 1.00 72.12 C ATOM 0 H ILE A 83 4.936 8.150 -2.296 1.00 41.42 H new ATOM 0 HA ILE A 83 7.297 7.258 -3.625 1.00 24.35 H new ATOM 0 HB ILE A 83 4.839 8.747 -4.655 1.00 54.41 H new ATOM 0 HG12 ILE A 83 5.515 5.777 -4.589 1.00 54.25 H new ATOM 0 HG13 ILE A 83 4.320 6.576 -3.587 1.00 54.25 H new ATOM 0 HG21 ILE A 83 5.463 7.870 -6.877 1.00 54.40 H new ATOM 0 HG22 ILE A 83 6.711 8.955 -6.220 1.00 54.40 H new ATOM 0 HG23 ILE A 83 6.956 7.192 -6.184 1.00 54.40 H new ATOM 0 HD11 ILE A 83 3.254 5.396 -5.448 1.00 72.12 H new ATOM 0 HD12 ILE A 83 3.000 7.152 -5.595 1.00 72.12 H new ATOM 0 HD13 ILE A 83 4.213 6.340 -6.613 1.00 72.12 H new ATOM 1375 N ASN A 84 6.876 10.506 -3.263 1.00 0.44 N ATOM 1376 CA ASN A 84 7.561 11.805 -3.351 1.00 41.42 C ATOM 1377 C ASN A 84 8.734 11.890 -2.357 1.00 41.51 C ATOM 1378 O ASN A 84 9.726 12.580 -2.604 1.00 43.23 O ATOM 1379 CB ASN A 84 6.570 12.947 -3.091 1.00 74.22 C ATOM 1380 CG ASN A 84 5.508 13.066 -4.173 1.00 4.23 C ATOM 1381 OD1 ASN A 84 5.755 12.787 -5.343 1.00 43.32 O ATOM 1382 ND2 ASN A 84 4.318 13.485 -3.797 1.00 3.41 N ATOM 0 H ASN A 84 5.987 10.534 -2.763 1.00 0.44 H new ATOM 0 HA ASN A 84 7.964 11.901 -4.359 1.00 41.42 H new ATOM 0 HB2 ASN A 84 6.084 12.788 -2.128 1.00 74.22 H new ATOM 0 HB3 ASN A 84 7.117 13.887 -3.021 1.00 74.22 H new ATOM 0 HD21 ASN A 84 3.572 13.585 -4.485 1.00 3.41 H new ATOM 0 HD22 ASN A 84 4.142 13.709 -2.818 1.00 3.41 H new ATOM 1389 N LYS A 85 8.611 11.192 -1.228 1.00 40.23 N ATOM 1390 CA LYS A 85 9.677 11.145 -0.215 1.00 33.33 C ATOM 1391 C LYS A 85 10.676 10.000 -0.476 1.00 60.25 C ATOM 1392 O LYS A 85 11.779 9.997 0.076 1.00 71.31 O ATOM 1393 CB LYS A 85 9.059 10.985 1.184 1.00 51.23 C ATOM 1394 CG LYS A 85 8.338 12.231 1.713 1.00 73.14 C ATOM 1395 CD LYS A 85 9.245 13.111 2.580 1.00 54.31 C ATOM 1396 CE LYS A 85 10.445 13.653 1.811 1.00 11.30 C ATOM 1397 NZ LYS A 85 11.391 14.389 2.689 1.00 74.24 N ATOM 0 H LYS A 85 7.782 10.648 -0.987 1.00 40.23 H new ATOM 0 HA LYS A 85 10.228 12.083 -0.275 1.00 33.33 H new ATOM 0 HB2 LYS A 85 8.352 10.155 1.161 1.00 51.23 H new ATOM 0 HB3 LYS A 85 9.848 10.713 1.886 1.00 51.23 H new ATOM 0 HG2 LYS A 85 7.966 12.816 0.872 1.00 73.14 H new ATOM 0 HG3 LYS A 85 7.470 11.924 2.296 1.00 73.14 H new ATOM 0 HD2 LYS A 85 8.665 13.945 2.976 1.00 54.31 H new ATOM 0 HD3 LYS A 85 9.597 12.533 3.435 1.00 54.31 H new ATOM 0 HE2 LYS A 85 10.968 12.827 1.329 1.00 11.30 H new ATOM 0 HE3 LYS A 85 10.097 14.316 1.019 1.00 11.30 H new ATOM 0 HZ1 LYS A 85 12.190 14.739 2.122 1.00 74.24 H new ATOM 0 HZ2 LYS A 85 10.901 15.193 3.130 1.00 74.24 H new ATOM 0 HZ3 LYS A 85 11.745 13.751 3.430 1.00 74.24 H new ATOM 1411 N LYS A 86 10.281 9.036 -1.316 1.00 5.44 N ATOM 1412 CA LYS A 86 11.132 7.878 -1.670 1.00 61.43 C ATOM 1413 C LYS A 86 11.517 7.027 -0.445 1.00 71.23 C ATOM 1414 O LYS A 86 12.391 6.161 -0.535 1.00 24.13 O ATOM 1415 CB LYS A 86 12.420 8.330 -2.395 1.00 3.50 C ATOM 1416 CG LYS A 86 12.214 8.886 -3.805 1.00 33.25 C ATOM 1417 CD LYS A 86 11.524 10.248 -3.804 1.00 5.51 C ATOM 1418 CE LYS A 86 11.486 10.862 -5.198 1.00 14.43 C ATOM 1419 NZ LYS A 86 12.852 11.144 -5.713 1.00 13.25 N ATOM 0 H LYS A 86 9.368 9.030 -1.771 1.00 5.44 H new ATOM 0 HA LYS A 86 10.531 7.261 -2.338 1.00 61.43 H new ATOM 0 HB2 LYS A 86 12.910 9.092 -1.789 1.00 3.50 H new ATOM 0 HB3 LYS A 86 13.102 7.482 -2.453 1.00 3.50 H new ATOM 0 HG2 LYS A 86 13.180 8.973 -4.302 1.00 33.25 H new ATOM 0 HG3 LYS A 86 11.619 8.182 -4.386 1.00 33.25 H new ATOM 0 HD2 LYS A 86 10.507 10.141 -3.426 1.00 5.51 H new ATOM 0 HD3 LYS A 86 12.047 10.921 -3.124 1.00 5.51 H new ATOM 0 HE2 LYS A 86 10.973 10.184 -5.880 1.00 14.43 H new ATOM 0 HE3 LYS A 86 10.909 11.786 -5.173 1.00 14.43 H new ATOM 0 HZ1 LYS A 86 12.947 12.162 -5.906 1.00 13.25 H new ATOM 0 HZ2 LYS A 86 13.556 10.859 -5.003 1.00 13.25 H new ATOM 0 HZ3 LYS A 86 13.009 10.609 -6.591 1.00 13.25 H new ATOM 1433 N LEU A 87 10.840 7.227 0.685 1.00 14.23 N ATOM 1434 CA LEU A 87 11.255 6.592 1.946 1.00 5.43 C ATOM 1435 C LEU A 87 10.768 5.127 2.068 1.00 61.35 C ATOM 1436 O LEU A 87 10.540 4.629 3.172 1.00 71.13 O ATOM 1437 CB LEU A 87 10.799 7.433 3.162 1.00 45.25 C ATOM 1438 CG LEU A 87 9.330 7.278 3.615 1.00 10.23 C ATOM 1439 CD1 LEU A 87 9.093 8.041 4.918 1.00 23.41 C ATOM 1440 CD2 LEU A 87 8.370 7.756 2.537 1.00 64.44 C ATOM 0 H LEU A 87 10.010 7.816 0.759 1.00 14.23 H new ATOM 0 HA LEU A 87 12.344 6.556 1.936 1.00 5.43 H new ATOM 0 HB2 LEU A 87 11.441 7.183 4.006 1.00 45.25 H new ATOM 0 HB3 LEU A 87 10.972 8.484 2.930 1.00 45.25 H new ATOM 0 HG LEU A 87 9.139 6.219 3.788 1.00 10.23 H new ATOM 0 HD11 LEU A 87 8.054 7.923 5.225 1.00 23.41 H new ATOM 0 HD12 LEU A 87 9.748 7.647 5.695 1.00 23.41 H new ATOM 0 HD13 LEU A 87 9.308 9.099 4.765 1.00 23.41 H new ATOM 0 HD21 LEU A 87 7.344 7.635 2.884 1.00 64.44 H new ATOM 0 HD22 LEU A 87 8.559 8.808 2.322 1.00 64.44 H new ATOM 0 HD23 LEU A 87 8.518 7.168 1.631 1.00 64.44 H new ATOM 1452 N TRP A 88 10.662 4.419 0.938 1.00 71.34 N ATOM 1453 CA TRP A 88 10.313 2.984 0.953 1.00 5.43 C ATOM 1454 C TRP A 88 11.322 2.173 1.794 1.00 74.11 C ATOM 1455 O TRP A 88 11.033 1.058 2.233 1.00 63.55 O ATOM 1456 CB TRP A 88 10.248 2.425 -0.478 1.00 71.14 C ATOM 1457 CG TRP A 88 9.092 2.951 -1.285 1.00 33.00 C ATOM 1458 CD1 TRP A 88 9.144 3.857 -2.311 1.00 55.00 C ATOM 1459 CD2 TRP A 88 7.711 2.600 -1.131 1.00 53.35 C ATOM 1460 NE1 TRP A 88 7.884 4.079 -2.805 1.00 21.51 N ATOM 1461 CE2 TRP A 88 6.987 3.324 -2.096 1.00 24.22 C ATOM 1462 CE3 TRP A 88 7.015 1.742 -0.271 1.00 72.31 C ATOM 1463 CZ2 TRP A 88 5.605 3.216 -2.226 1.00 2.13 C ATOM 1464 CZ3 TRP A 88 5.642 1.638 -0.401 1.00 24.03 C ATOM 1465 CH2 TRP A 88 4.950 2.371 -1.372 1.00 41.14 C ATOM 0 H TRP A 88 10.810 4.807 0.006 1.00 71.34 H new ATOM 0 HA TRP A 88 9.329 2.888 1.413 1.00 5.43 H new ATOM 0 HB2 TRP A 88 11.178 2.665 -0.994 1.00 71.14 H new ATOM 0 HB3 TRP A 88 10.181 1.338 -0.431 1.00 71.14 H new ATOM 0 HD1 TRP A 88 10.045 4.327 -2.677 1.00 55.00 H new ATOM 0 HE1 TRP A 88 7.652 4.705 -3.576 1.00 21.51 H new ATOM 0 HE3 TRP A 88 7.541 1.172 0.480 1.00 72.31 H new ATOM 0 HZ2 TRP A 88 5.069 3.780 -2.975 1.00 2.13 H new ATOM 0 HZ3 TRP A 88 5.095 0.980 0.258 1.00 24.03 H new ATOM 0 HH2 TRP A 88 3.878 2.268 -1.449 1.00 41.14 H new ATOM 1476 N ARG A 89 12.509 2.750 2.006 1.00 30.41 N ATOM 1477 CA ARG A 89 13.520 2.178 2.909 1.00 34.33 C ATOM 1478 C ARG A 89 12.965 2.046 4.337 1.00 22.13 C ATOM 1479 O ARG A 89 13.234 1.073 5.042 1.00 23.11 O ATOM 1480 CB ARG A 89 14.768 3.075 2.910 1.00 43.43 C ATOM 1481 CG ARG A 89 15.474 3.147 1.555 1.00 72.03 C ATOM 1482 CD ARG A 89 16.501 2.033 1.384 1.00 52.20 C ATOM 1483 NE ARG A 89 17.682 2.261 2.213 1.00 34.21 N ATOM 1484 CZ ARG A 89 18.649 1.404 2.374 1.00 35.13 C ATOM 1485 NH1 ARG A 89 18.586 0.223 1.854 1.00 25.53 N ATOM 1486 NH2 ARG A 89 19.674 1.727 3.083 1.00 31.40 N ATOM 0 H ARG A 89 12.798 3.621 1.561 1.00 30.41 H new ATOM 0 HA ARG A 89 13.785 1.182 2.554 1.00 34.33 H new ATOM 0 HB2 ARG A 89 14.481 4.082 3.214 1.00 43.43 H new ATOM 0 HB3 ARG A 89 15.470 2.704 3.657 1.00 43.43 H new ATOM 0 HG2 ARG A 89 14.734 3.083 0.757 1.00 72.03 H new ATOM 0 HG3 ARG A 89 15.968 4.113 1.455 1.00 72.03 H new ATOM 0 HD2 ARG A 89 16.049 1.077 1.648 1.00 52.20 H new ATOM 0 HD3 ARG A 89 16.797 1.968 0.337 1.00 52.20 H new ATOM 0 HE ARG A 89 17.754 3.154 2.700 1.00 34.21 H new ATOM 0 HH11 ARG A 89 17.770 -0.051 1.307 1.00 25.53 H new ATOM 0 HH12 ARG A 89 19.353 -0.436 1.990 1.00 25.53 H new ATOM 0 HH21 ARG A 89 19.725 2.650 3.515 1.00 31.40 H new ATOM 0 HH22 ARG A 89 20.435 1.060 3.213 1.00 31.40 H new ATOM 1500 N GLU A 90 12.179 3.041 4.745 1.00 61.35 N ATOM 1501 CA GLU A 90 11.527 3.041 6.057 1.00 22.10 C ATOM 1502 C GLU A 90 10.400 1.998 6.105 1.00 0.34 C ATOM 1503 O GLU A 90 10.185 1.339 7.122 1.00 22.13 O ATOM 1504 CB GLU A 90 10.953 4.435 6.358 1.00 74.10 C ATOM 1505 CG GLU A 90 11.959 5.574 6.199 1.00 41.02 C ATOM 1506 CD GLU A 90 13.130 5.474 7.161 1.00 73.00 C ATOM 1507 OE1 GLU A 90 12.931 5.713 8.372 1.00 23.42 O ATOM 1508 OE2 GLU A 90 14.252 5.168 6.717 1.00 5.31 O ATOM 0 H GLU A 90 11.976 3.866 4.181 1.00 61.35 H new ATOM 0 HA GLU A 90 12.272 2.784 6.810 1.00 22.10 H new ATOM 0 HB2 GLU A 90 10.107 4.618 5.696 1.00 74.10 H new ATOM 0 HB3 GLU A 90 10.568 4.445 7.378 1.00 74.10 H new ATOM 0 HG2 GLU A 90 12.336 5.577 5.176 1.00 41.02 H new ATOM 0 HG3 GLU A 90 11.449 6.525 6.354 1.00 41.02 H new ATOM 1515 N ILE A 91 9.682 1.861 4.991 1.00 31.34 N ATOM 1516 CA ILE A 91 8.576 0.902 4.888 1.00 63.30 C ATOM 1517 C ILE A 91 9.079 -0.546 5.033 1.00 54.12 C ATOM 1518 O ILE A 91 8.599 -1.297 5.882 1.00 20.13 O ATOM 1519 CB ILE A 91 7.825 1.054 3.540 1.00 42.40 C ATOM 1520 CG1 ILE A 91 7.369 2.512 3.336 1.00 15.25 C ATOM 1521 CG2 ILE A 91 6.633 0.099 3.469 1.00 15.23 C ATOM 1522 CD1 ILE A 91 6.453 3.039 4.422 1.00 41.24 C ATOM 0 H ILE A 91 9.845 2.403 4.142 1.00 31.34 H new ATOM 0 HA ILE A 91 7.887 1.121 5.704 1.00 63.30 H new ATOM 0 HB ILE A 91 8.513 0.794 2.736 1.00 42.40 H new ATOM 0 HG12 ILE A 91 8.250 3.151 3.279 1.00 15.25 H new ATOM 0 HG13 ILE A 91 6.857 2.589 2.377 1.00 15.25 H new ATOM 0 HG21 ILE A 91 6.122 0.225 2.514 1.00 15.23 H new ATOM 0 HG22 ILE A 91 6.984 -0.929 3.560 1.00 15.23 H new ATOM 0 HG23 ILE A 91 5.941 0.319 4.282 1.00 15.23 H new ATOM 0 HD11 ILE A 91 6.181 4.071 4.200 1.00 41.24 H new ATOM 0 HD12 ILE A 91 5.552 2.428 4.466 1.00 41.24 H new ATOM 0 HD13 ILE A 91 6.967 2.998 5.383 1.00 41.24 H new ATOM 1534 N THR A 92 10.063 -0.923 4.211 1.00 32.05 N ATOM 1535 CA THR A 92 10.683 -2.258 4.297 1.00 34.02 C ATOM 1536 C THR A 92 11.205 -2.537 5.709 1.00 41.12 C ATOM 1537 O THR A 92 10.863 -3.550 6.327 1.00 41.41 O ATOM 1538 CB THR A 92 11.864 -2.408 3.302 1.00 51.24 C ATOM 1539 OG1 THR A 92 12.772 -1.305 3.444 1.00 72.01 O ATOM 1540 CG2 THR A 92 11.374 -2.490 1.861 1.00 42.03 C ATOM 0 H THR A 92 10.450 -0.328 3.479 1.00 32.05 H new ATOM 0 HA THR A 92 9.903 -2.975 4.042 1.00 34.02 H new ATOM 0 HB THR A 92 12.380 -3.339 3.537 1.00 51.24 H new ATOM 0 HG1 THR A 92 12.378 -0.503 3.041 1.00 72.01 H new ATOM 0 HG21 THR A 92 12.228 -2.595 1.192 1.00 42.03 H new ATOM 0 HG22 THR A 92 10.717 -3.353 1.749 1.00 42.03 H new ATOM 0 HG23 THR A 92 10.826 -1.582 1.611 1.00 42.03 H new ATOM 1548 N LYS A 93 12.028 -1.625 6.221 1.00 23.35 N ATOM 1549 CA LYS A 93 12.567 -1.734 7.577 1.00 34.53 C ATOM 1550 C LYS A 93 11.439 -1.855 8.621 1.00 31.34 C ATOM 1551 O LYS A 93 11.569 -2.572 9.620 1.00 14.12 O ATOM 1552 CB LYS A 93 13.454 -0.518 7.886 1.00 32.15 C ATOM 1553 CG LYS A 93 14.213 -0.619 9.207 1.00 13.31 C ATOM 1554 CD LYS A 93 15.141 -1.833 9.232 1.00 22.11 C ATOM 1555 CE LYS A 93 15.902 -1.947 10.547 1.00 53.35 C ATOM 1556 NZ LYS A 93 14.987 -2.054 11.715 1.00 25.02 N ATOM 0 H LYS A 93 12.339 -0.796 5.714 1.00 23.35 H new ATOM 0 HA LYS A 93 13.169 -2.641 7.633 1.00 34.53 H new ATOM 0 HB2 LYS A 93 14.172 -0.390 7.076 1.00 32.15 H new ATOM 0 HB3 LYS A 93 12.832 0.377 7.904 1.00 32.15 H new ATOM 0 HG2 LYS A 93 14.796 0.289 9.362 1.00 13.31 H new ATOM 0 HG3 LYS A 93 13.503 -0.686 10.031 1.00 13.31 H new ATOM 0 HD2 LYS A 93 14.556 -2.739 9.073 1.00 22.11 H new ATOM 0 HD3 LYS A 93 15.851 -1.763 8.408 1.00 22.11 H new ATOM 0 HE2 LYS A 93 16.552 -2.821 10.515 1.00 53.35 H new ATOM 0 HE3 LYS A 93 16.546 -1.076 10.670 1.00 53.35 H new ATOM 0 HZ1 LYS A 93 15.530 -2.331 12.557 1.00 25.02 H new ATOM 0 HZ2 LYS A 93 14.531 -1.135 11.884 1.00 25.02 H new ATOM 0 HZ3 LYS A 93 14.259 -2.771 11.521 1.00 25.02 H new ATOM 1570 N GLY A 94 10.328 -1.160 8.376 1.00 30.14 N ATOM 1571 CA GLY A 94 9.172 -1.235 9.263 1.00 53.51 C ATOM 1572 C GLY A 94 8.492 -2.603 9.242 1.00 10.43 C ATOM 1573 O GLY A 94 7.946 -3.049 10.254 1.00 60.34 O ATOM 0 H GLY A 94 10.206 -0.542 7.574 1.00 30.14 H new ATOM 0 HA2 GLY A 94 9.487 -1.007 10.281 1.00 53.51 H new ATOM 0 HA3 GLY A 94 8.449 -0.472 8.975 1.00 53.51 H new ATOM 1577 N LEU A 95 8.535 -3.277 8.093 1.00 55.42 N ATOM 1578 CA LEU A 95 7.948 -4.615 7.949 1.00 10.51 C ATOM 1579 C LEU A 95 8.964 -5.709 8.324 1.00 4.13 C ATOM 1580 O LEU A 95 8.728 -6.899 8.090 1.00 12.34 O ATOM 1581 CB LEU A 95 7.468 -4.824 6.503 1.00 11.12 C ATOM 1582 CG LEU A 95 6.519 -3.745 5.958 1.00 64.13 C ATOM 1583 CD1 LEU A 95 6.085 -4.075 4.532 1.00 60.32 C ATOM 1584 CD2 LEU A 95 5.307 -3.576 6.868 1.00 55.12 C ATOM 0 H LEU A 95 8.971 -2.919 7.243 1.00 55.42 H new ATOM 0 HA LEU A 95 7.099 -4.689 8.629 1.00 10.51 H new ATOM 0 HB2 LEU A 95 8.341 -4.877 5.853 1.00 11.12 H new ATOM 0 HB3 LEU A 95 6.966 -5.789 6.441 1.00 11.12 H new ATOM 0 HG LEU A 95 7.060 -2.799 5.938 1.00 64.13 H new ATOM 0 HD11 LEU A 95 5.414 -3.298 4.167 1.00 60.32 H new ATOM 0 HD12 LEU A 95 6.963 -4.129 3.888 1.00 60.32 H new ATOM 0 HD13 LEU A 95 5.568 -5.035 4.522 1.00 60.32 H new ATOM 0 HD21 LEU A 95 4.651 -2.807 6.461 1.00 55.12 H new ATOM 0 HD22 LEU A 95 4.765 -4.520 6.931 1.00 55.12 H new ATOM 0 HD23 LEU A 95 5.638 -3.281 7.864 1.00 55.12 H new ATOM 1596 N ASN A 96 10.098 -5.288 8.901 1.00 51.11 N ATOM 1597 CA ASN A 96 11.184 -6.199 9.297 1.00 55.53 C ATOM 1598 C ASN A 96 11.911 -6.774 8.061 1.00 22.53 C ATOM 1599 O ASN A 96 12.733 -7.684 8.167 1.00 73.11 O ATOM 1600 CB ASN A 96 10.639 -7.316 10.211 1.00 4.50 C ATOM 1601 CG ASN A 96 11.729 -8.192 10.807 1.00 1.12 C ATOM 1602 OD1 ASN A 96 12.073 -9.235 10.264 1.00 62.14 O ATOM 1603 ND2 ASN A 96 12.280 -7.774 11.929 1.00 21.13 N ATOM 0 H ASN A 96 10.289 -4.307 9.107 1.00 51.11 H new ATOM 0 HA ASN A 96 11.922 -5.631 9.864 1.00 55.53 H new ATOM 0 HB2 ASN A 96 10.062 -6.866 11.019 1.00 4.50 H new ATOM 0 HB3 ASN A 96 9.953 -7.941 9.639 1.00 4.50 H new ATOM 0 HD21 ASN A 96 13.016 -8.324 12.371 1.00 21.13 H new ATOM 0 HD22 ASN A 96 11.970 -6.901 12.355 1.00 21.13 H new ATOM 1610 N LEU A 97 11.629 -6.201 6.892 1.00 31.42 N ATOM 1611 CA LEU A 97 12.261 -6.633 5.643 1.00 70.51 C ATOM 1612 C LEU A 97 13.670 -6.031 5.505 1.00 74.43 C ATOM 1613 O LEU A 97 13.940 -4.945 6.026 1.00 34.30 O ATOM 1614 CB LEU A 97 11.405 -6.205 4.438 1.00 53.21 C ATOM 1615 CG LEU A 97 9.926 -6.627 4.484 1.00 4.30 C ATOM 1616 CD1 LEU A 97 9.193 -6.176 3.221 1.00 65.51 C ATOM 1617 CD2 LEU A 97 9.802 -8.133 4.676 1.00 75.52 C ATOM 0 H LEU A 97 10.965 -5.434 6.782 1.00 31.42 H new ATOM 0 HA LEU A 97 12.342 -7.720 5.666 1.00 70.51 H new ATOM 0 HB2 LEU A 97 11.451 -5.119 4.351 1.00 53.21 H new ATOM 0 HB3 LEU A 97 11.853 -6.617 3.534 1.00 53.21 H new ATOM 0 HG LEU A 97 9.458 -6.137 5.338 1.00 4.30 H new ATOM 0 HD11 LEU A 97 8.149 -6.485 3.276 1.00 65.51 H new ATOM 0 HD12 LEU A 97 9.246 -5.090 3.138 1.00 65.51 H new ATOM 0 HD13 LEU A 97 9.660 -6.630 2.347 1.00 65.51 H new ATOM 0 HD21 LEU A 97 8.748 -8.410 4.706 1.00 75.52 H new ATOM 0 HD22 LEU A 97 10.289 -8.647 3.847 1.00 75.52 H new ATOM 0 HD23 LEU A 97 10.280 -8.421 5.613 1.00 75.52 H new ATOM 1629 N PRO A 98 14.593 -6.717 4.803 1.00 34.54 N ATOM 1630 CA PRO A 98 15.935 -6.176 4.548 1.00 21.41 C ATOM 1631 C PRO A 98 15.881 -4.891 3.703 1.00 31.42 C ATOM 1632 O PRO A 98 15.624 -4.931 2.504 1.00 22.31 O ATOM 1633 CB PRO A 98 16.656 -7.312 3.799 1.00 51.52 C ATOM 1634 CG PRO A 98 15.569 -8.193 3.269 1.00 41.30 C ATOM 1635 CD PRO A 98 14.407 -8.059 4.221 1.00 44.35 C ATOM 0 HA PRO A 98 16.447 -5.887 5.466 1.00 21.41 H new ATOM 0 HB2 PRO A 98 17.273 -6.920 2.990 1.00 51.52 H new ATOM 0 HB3 PRO A 98 17.318 -7.864 4.466 1.00 51.52 H new ATOM 0 HG2 PRO A 98 15.282 -7.892 2.262 1.00 41.30 H new ATOM 0 HG3 PRO A 98 15.904 -9.229 3.209 1.00 41.30 H new ATOM 0 HD2 PRO A 98 13.452 -8.143 3.703 1.00 44.35 H new ATOM 0 HD3 PRO A 98 14.424 -8.835 4.987 1.00 44.35 H new ATOM 1643 N THR A 99 16.127 -3.749 4.345 1.00 51.25 N ATOM 1644 CA THR A 99 16.016 -2.430 3.690 1.00 51.35 C ATOM 1645 C THR A 99 16.864 -2.329 2.407 1.00 25.32 C ATOM 1646 O THR A 99 16.631 -1.469 1.555 1.00 71.51 O ATOM 1647 CB THR A 99 16.430 -1.294 4.659 1.00 23.23 C ATOM 1648 OG1 THR A 99 16.345 -0.017 4.008 1.00 3.43 O ATOM 1649 CG2 THR A 99 17.849 -1.505 5.184 1.00 60.33 C ATOM 0 H THR A 99 16.407 -3.703 5.325 1.00 51.25 H new ATOM 0 HA THR A 99 14.968 -2.319 3.412 1.00 51.35 H new ATOM 0 HB THR A 99 15.739 -1.315 5.502 1.00 23.23 H new ATOM 0 HG1 THR A 99 16.609 0.688 4.635 1.00 3.43 H new ATOM 0 HG21 THR A 99 18.111 -0.692 5.861 1.00 60.33 H new ATOM 0 HG22 THR A 99 17.902 -2.454 5.718 1.00 60.33 H new ATOM 0 HG23 THR A 99 18.548 -1.520 4.348 1.00 60.33 H new ATOM 1657 N SER A 100 17.844 -3.221 2.267 1.00 34.33 N ATOM 1658 CA SER A 100 18.771 -3.184 1.127 1.00 11.51 C ATOM 1659 C SER A 100 18.300 -4.055 -0.056 1.00 51.24 C ATOM 1660 O SER A 100 19.105 -4.435 -0.907 1.00 42.23 O ATOM 1661 CB SER A 100 20.171 -3.634 1.575 1.00 23.04 C ATOM 1662 OG SER A 100 21.129 -3.438 0.546 1.00 63.54 O ATOM 0 H SER A 100 18.020 -3.979 2.926 1.00 34.33 H new ATOM 0 HA SER A 100 18.801 -2.152 0.776 1.00 11.51 H new ATOM 0 HB2 SER A 100 20.468 -3.076 2.463 1.00 23.04 H new ATOM 0 HB3 SER A 100 20.145 -4.687 1.855 1.00 23.04 H new ATOM 0 HG SER A 100 20.744 -3.705 -0.315 1.00 63.54 H new ATOM 1668 N ILE A 101 17.003 -4.364 -0.120 1.00 73.22 N ATOM 1669 CA ILE A 101 16.450 -5.097 -1.273 1.00 24.22 C ATOM 1670 C ILE A 101 16.567 -4.265 -2.567 1.00 12.40 C ATOM 1671 O ILE A 101 15.994 -3.174 -2.673 1.00 40.32 O ATOM 1672 CB ILE A 101 14.963 -5.496 -1.056 1.00 72.44 C ATOM 1673 CG1 ILE A 101 14.835 -6.524 0.079 1.00 71.32 C ATOM 1674 CG2 ILE A 101 14.348 -6.048 -2.348 1.00 75.43 C ATOM 1675 CD1 ILE A 101 13.401 -6.861 0.445 1.00 31.53 C ATOM 0 H ILE A 101 16.320 -4.125 0.599 1.00 73.22 H new ATOM 0 HA ILE A 101 17.040 -6.008 -1.370 1.00 24.22 H new ATOM 0 HB ILE A 101 14.414 -4.598 -0.773 1.00 72.44 H new ATOM 0 HG12 ILE A 101 15.350 -7.439 -0.213 1.00 71.32 H new ATOM 0 HG13 ILE A 101 15.345 -6.140 0.963 1.00 71.32 H new ATOM 0 HG21 ILE A 101 13.308 -6.319 -2.169 1.00 75.43 H new ATOM 0 HG22 ILE A 101 14.395 -5.287 -3.127 1.00 75.43 H new ATOM 0 HG23 ILE A 101 14.903 -6.930 -2.667 1.00 75.43 H new ATOM 0 HD11 ILE A 101 13.394 -7.593 1.253 1.00 31.53 H new ATOM 0 HD12 ILE A 101 12.886 -5.957 0.770 1.00 31.53 H new ATOM 0 HD13 ILE A 101 12.891 -7.276 -0.425 1.00 31.53 H new ATOM 1687 N THR A 102 17.312 -4.789 -3.540 1.00 44.43 N ATOM 1688 CA THR A 102 17.521 -4.112 -4.830 1.00 25.44 C ATOM 1689 C THR A 102 16.193 -3.694 -5.483 1.00 70.11 C ATOM 1690 O THR A 102 15.375 -4.541 -5.846 1.00 4.42 O ATOM 1691 CB THR A 102 18.297 -5.015 -5.823 1.00 30.42 C ATOM 1692 OG1 THR A 102 19.545 -5.435 -5.250 1.00 3.35 O ATOM 1693 CG2 THR A 102 18.569 -4.292 -7.140 1.00 34.44 C ATOM 0 H THR A 102 17.787 -5.688 -3.462 1.00 44.43 H new ATOM 0 HA THR A 102 18.106 -3.219 -4.611 1.00 25.44 H new ATOM 0 HB THR A 102 17.673 -5.886 -6.025 1.00 30.42 H new ATOM 0 HG1 THR A 102 19.841 -6.263 -5.682 1.00 3.35 H new ATOM 0 HG21 THR A 102 19.114 -4.954 -7.813 1.00 34.44 H new ATOM 0 HG22 THR A 102 17.623 -4.006 -7.600 1.00 34.44 H new ATOM 0 HG23 THR A 102 19.164 -3.399 -6.949 1.00 34.44 H new ATOM 1701 N SER A 103 15.984 -2.379 -5.609 1.00 32.21 N ATOM 1702 CA SER A 103 14.795 -1.823 -6.282 1.00 61.21 C ATOM 1703 C SER A 103 13.492 -2.115 -5.514 1.00 34.52 C ATOM 1704 O SER A 103 12.407 -2.148 -6.103 1.00 65.33 O ATOM 1705 CB SER A 103 14.690 -2.357 -7.722 1.00 71.43 C ATOM 1706 OG SER A 103 15.881 -2.097 -8.455 1.00 53.00 O ATOM 0 H SER A 103 16.626 -1.671 -5.252 1.00 32.21 H new ATOM 0 HA SER A 103 14.923 -0.741 -6.305 1.00 61.21 H new ATOM 0 HB2 SER A 103 14.499 -3.430 -7.702 1.00 71.43 H new ATOM 0 HB3 SER A 103 13.842 -1.892 -8.224 1.00 71.43 H new ATOM 0 HG SER A 103 15.788 -2.448 -9.365 1.00 53.00 H new ATOM 1712 N ALA A 104 13.599 -2.302 -4.197 1.00 44.34 N ATOM 1713 CA ALA A 104 12.423 -2.534 -3.343 1.00 73.31 C ATOM 1714 C ALA A 104 11.344 -1.456 -3.546 1.00 23.14 C ATOM 1715 O ALA A 104 10.157 -1.765 -3.660 1.00 3.44 O ATOM 1716 CB ALA A 104 12.839 -2.580 -1.877 1.00 50.51 C ATOM 0 H ALA A 104 14.487 -2.298 -3.695 1.00 44.34 H new ATOM 0 HA ALA A 104 11.994 -3.493 -3.632 1.00 73.31 H new ATOM 0 HB1 ALA A 104 11.961 -2.752 -1.255 1.00 50.51 H new ATOM 0 HB2 ALA A 104 13.554 -3.389 -1.727 1.00 50.51 H new ATOM 0 HB3 ALA A 104 13.300 -1.632 -1.600 1.00 50.51 H new ATOM 1722 N ALA A 105 11.779 -0.194 -3.592 1.00 32.21 N ATOM 1723 CA ALA A 105 10.877 0.946 -3.808 1.00 53.41 C ATOM 1724 C ALA A 105 10.025 0.764 -5.071 1.00 4.12 C ATOM 1725 O ALA A 105 8.806 0.940 -5.047 1.00 21.50 O ATOM 1726 CB ALA A 105 11.688 2.239 -3.897 1.00 24.21 C ATOM 0 H ALA A 105 12.759 0.068 -3.482 1.00 32.21 H new ATOM 0 HA ALA A 105 10.196 1.002 -2.959 1.00 53.41 H new ATOM 0 HB1 ALA A 105 11.014 3.081 -4.057 1.00 24.21 H new ATOM 0 HB2 ALA A 105 12.240 2.387 -2.969 1.00 24.21 H new ATOM 0 HB3 ALA A 105 12.389 2.172 -4.729 1.00 24.21 H new ATOM 1732 N PHE A 106 10.687 0.404 -6.166 1.00 55.15 N ATOM 1733 CA PHE A 106 10.024 0.159 -7.450 1.00 33.41 C ATOM 1734 C PHE A 106 8.900 -0.885 -7.326 1.00 31.21 C ATOM 1735 O PHE A 106 7.776 -0.668 -7.783 1.00 55.44 O ATOM 1736 CB PHE A 106 11.072 -0.309 -8.472 1.00 63.51 C ATOM 1737 CG PHE A 106 10.524 -0.589 -9.850 1.00 12.42 C ATOM 1738 CD1 PHE A 106 10.283 0.450 -10.735 1.00 34.41 C ATOM 1739 CD2 PHE A 106 10.261 -1.889 -10.260 1.00 50.22 C ATOM 1740 CE1 PHE A 106 9.790 0.198 -12.002 1.00 23.21 C ATOM 1741 CE2 PHE A 106 9.771 -2.146 -11.525 1.00 5.43 C ATOM 1742 CZ PHE A 106 9.534 -1.101 -12.397 1.00 55.14 C ATOM 0 H PHE A 106 11.698 0.273 -6.192 1.00 55.15 H new ATOM 0 HA PHE A 106 9.563 1.089 -7.783 1.00 33.41 H new ATOM 0 HB2 PHE A 106 11.848 0.452 -8.552 1.00 63.51 H new ATOM 0 HB3 PHE A 106 11.550 -1.213 -8.095 1.00 63.51 H new ATOM 0 HD1 PHE A 106 10.482 1.467 -10.432 1.00 34.41 H new ATOM 0 HD2 PHE A 106 10.442 -2.709 -9.581 1.00 50.22 H new ATOM 0 HE1 PHE A 106 9.605 1.016 -12.682 1.00 23.21 H new ATOM 0 HE2 PHE A 106 9.573 -3.162 -11.832 1.00 5.43 H new ATOM 0 HZ PHE A 106 9.149 -1.299 -13.386 1.00 55.14 H new ATOM 1752 N THR A 107 9.218 -2.013 -6.698 1.00 14.32 N ATOM 1753 CA THR A 107 8.265 -3.124 -6.555 1.00 54.40 C ATOM 1754 C THR A 107 7.097 -2.773 -5.614 1.00 1.42 C ATOM 1755 O THR A 107 5.928 -2.977 -5.957 1.00 72.04 O ATOM 1756 CB THR A 107 8.971 -4.400 -6.034 1.00 42.41 C ATOM 1757 OG1 THR A 107 10.043 -4.765 -6.918 1.00 4.51 O ATOM 1758 CG2 THR A 107 7.995 -5.568 -5.916 1.00 70.33 C ATOM 0 H THR A 107 10.130 -2.188 -6.276 1.00 14.32 H new ATOM 0 HA THR A 107 7.860 -3.310 -7.550 1.00 54.40 H new ATOM 0 HB THR A 107 9.367 -4.179 -5.043 1.00 42.41 H new ATOM 0 HG1 THR A 107 10.485 -5.572 -6.580 1.00 4.51 H new ATOM 0 HG21 THR A 107 8.523 -6.448 -5.548 1.00 70.33 H new ATOM 0 HG22 THR A 107 7.197 -5.306 -5.221 1.00 70.33 H new ATOM 0 HG23 THR A 107 7.567 -5.785 -6.895 1.00 70.33 H new ATOM 1766 N LEU A 108 7.417 -2.243 -4.431 1.00 75.03 N ATOM 1767 CA LEU A 108 6.394 -1.896 -3.430 1.00 50.21 C ATOM 1768 C LEU A 108 5.405 -0.849 -3.965 1.00 21.23 C ATOM 1769 O LEU A 108 4.194 -0.962 -3.757 1.00 40.32 O ATOM 1770 CB LEU A 108 7.055 -1.373 -2.144 1.00 32.55 C ATOM 1771 CG LEU A 108 7.925 -2.388 -1.382 1.00 25.51 C ATOM 1772 CD1 LEU A 108 8.522 -1.748 -0.131 1.00 41.31 C ATOM 1773 CD2 LEU A 108 7.113 -3.631 -1.021 1.00 43.34 C ATOM 0 H LEU A 108 8.374 -2.043 -4.139 1.00 75.03 H new ATOM 0 HA LEU A 108 5.837 -2.806 -3.208 1.00 50.21 H new ATOM 0 HB2 LEU A 108 7.672 -0.512 -2.399 1.00 32.55 H new ATOM 0 HB3 LEU A 108 6.273 -1.017 -1.474 1.00 32.55 H new ATOM 0 HG LEU A 108 8.744 -2.696 -2.032 1.00 25.51 H new ATOM 0 HD11 LEU A 108 9.134 -2.480 0.395 1.00 41.31 H new ATOM 0 HD12 LEU A 108 9.140 -0.897 -0.417 1.00 41.31 H new ATOM 0 HD13 LEU A 108 7.719 -1.409 0.523 1.00 41.31 H new ATOM 0 HD21 LEU A 108 7.747 -4.336 -0.483 1.00 43.34 H new ATOM 0 HD22 LEU A 108 6.271 -3.345 -0.390 1.00 43.34 H new ATOM 0 HD23 LEU A 108 6.741 -4.100 -1.932 1.00 43.34 H new ATOM 1785 N ARG A 109 5.933 0.164 -4.654 1.00 70.14 N ATOM 1786 CA ARG A 109 5.109 1.225 -5.248 1.00 73.31 C ATOM 1787 C ARG A 109 3.962 0.651 -6.100 1.00 30.35 C ATOM 1788 O ARG A 109 2.806 1.058 -5.965 1.00 71.44 O ATOM 1789 CB ARG A 109 5.986 2.146 -6.111 1.00 3.12 C ATOM 1790 CG ARG A 109 5.192 3.157 -6.938 1.00 52.41 C ATOM 1791 CD ARG A 109 6.083 3.971 -7.875 1.00 71.40 C ATOM 1792 NE ARG A 109 6.947 3.130 -8.712 1.00 34.10 N ATOM 1793 CZ ARG A 109 6.525 2.251 -9.590 1.00 71.45 C ATOM 1794 NH1 ARG A 109 5.261 2.016 -9.762 1.00 43.12 N ATOM 1795 NH2 ARG A 109 7.385 1.601 -10.297 1.00 62.43 N ATOM 0 H ARG A 109 6.934 0.275 -4.817 1.00 70.14 H new ATOM 0 HA ARG A 109 4.665 1.795 -4.432 1.00 73.31 H new ATOM 0 HB2 ARG A 109 6.678 2.684 -5.464 1.00 3.12 H new ATOM 0 HB3 ARG A 109 6.588 1.534 -6.783 1.00 3.12 H new ATOM 0 HG2 ARG A 109 4.438 2.631 -7.524 1.00 52.41 H new ATOM 0 HG3 ARG A 109 4.661 3.833 -6.268 1.00 52.41 H new ATOM 0 HD2 ARG A 109 5.457 4.592 -8.516 1.00 71.40 H new ATOM 0 HD3 ARG A 109 6.703 4.646 -7.284 1.00 71.40 H new ATOM 0 HE ARG A 109 7.955 3.237 -8.602 1.00 34.10 H new ATOM 0 HH11 ARG A 109 4.569 2.520 -9.208 1.00 43.12 H new ATOM 0 HH12 ARG A 109 4.959 1.327 -10.451 1.00 43.12 H new ATOM 0 HH21 ARG A 109 8.383 1.772 -10.171 1.00 62.43 H new ATOM 0 HH22 ARG A 109 7.068 0.915 -10.982 1.00 62.43 H new ATOM 1809 N THR A 110 4.295 -0.291 -6.978 1.00 73.23 N ATOM 1810 CA THR A 110 3.310 -0.890 -7.890 1.00 63.32 C ATOM 1811 C THR A 110 2.342 -1.839 -7.161 1.00 74.24 C ATOM 1812 O THR A 110 1.127 -1.740 -7.325 1.00 62.22 O ATOM 1813 CB THR A 110 4.005 -1.659 -9.044 1.00 70.55 C ATOM 1814 OG1 THR A 110 4.834 -0.763 -9.803 1.00 42.43 O ATOM 1815 CG2 THR A 110 2.986 -2.316 -9.973 1.00 43.32 C ATOM 0 H THR A 110 5.240 -0.660 -7.082 1.00 73.23 H new ATOM 0 HA THR A 110 2.735 -0.061 -8.302 1.00 63.32 H new ATOM 0 HB THR A 110 4.617 -2.443 -8.598 1.00 70.55 H new ATOM 0 HG1 THR A 110 5.270 -1.257 -10.528 1.00 42.43 H new ATOM 0 HG21 THR A 110 3.508 -2.846 -10.770 1.00 43.32 H new ATOM 0 HG22 THR A 110 2.378 -3.021 -9.406 1.00 43.32 H new ATOM 0 HG23 THR A 110 2.343 -1.550 -10.407 1.00 43.32 H new ATOM 1823 N GLN A 111 2.877 -2.751 -6.350 1.00 1.33 N ATOM 1824 CA GLN A 111 2.042 -3.756 -5.671 1.00 52.35 C ATOM 1825 C GLN A 111 1.023 -3.115 -4.713 1.00 3.11 C ATOM 1826 O GLN A 111 -0.152 -3.500 -4.694 1.00 14.44 O ATOM 1827 CB GLN A 111 2.919 -4.767 -4.923 1.00 33.34 C ATOM 1828 CG GLN A 111 3.869 -5.536 -5.837 1.00 61.35 C ATOM 1829 CD GLN A 111 3.154 -6.284 -6.954 1.00 34.21 C ATOM 1830 OE1 GLN A 111 2.015 -6.723 -6.810 1.00 54.51 O ATOM 1831 NE2 GLN A 111 3.811 -6.419 -8.088 1.00 12.45 N ATOM 0 H GLN A 111 3.874 -2.820 -6.145 1.00 1.33 H new ATOM 0 HA GLN A 111 1.476 -4.278 -6.442 1.00 52.35 H new ATOM 0 HB2 GLN A 111 3.501 -4.242 -4.165 1.00 33.34 H new ATOM 0 HB3 GLN A 111 2.278 -5.475 -4.399 1.00 33.34 H new ATOM 0 HG2 GLN A 111 4.584 -4.840 -6.275 1.00 61.35 H new ATOM 0 HG3 GLN A 111 4.440 -6.247 -5.240 1.00 61.35 H new ATOM 0 HE21 GLN A 111 4.755 -6.044 -8.178 1.00 12.45 H new ATOM 0 HE22 GLN A 111 3.375 -6.898 -8.876 1.00 12.45 H new ATOM 1840 N TYR A 112 1.466 -2.137 -3.921 1.00 54.23 N ATOM 1841 CA TYR A 112 0.556 -1.390 -3.042 1.00 53.10 C ATOM 1842 C TYR A 112 -0.525 -0.676 -3.869 1.00 1.53 C ATOM 1843 O TYR A 112 -1.700 -0.645 -3.494 1.00 25.41 O ATOM 1844 CB TYR A 112 1.341 -0.369 -2.204 1.00 74.40 C ATOM 1845 CG TYR A 112 0.489 0.448 -1.239 1.00 4.40 C ATOM 1846 CD1 TYR A 112 0.208 -0.021 0.039 1.00 64.20 C ATOM 1847 CD2 TYR A 112 -0.023 1.692 -1.603 1.00 44.05 C ATOM 1848 CE1 TYR A 112 -0.554 0.721 0.924 1.00 35.32 C ATOM 1849 CE2 TYR A 112 -0.783 2.440 -0.721 1.00 42.22 C ATOM 1850 CZ TYR A 112 -1.046 1.949 0.541 1.00 14.10 C ATOM 1851 OH TYR A 112 -1.800 2.691 1.424 1.00 44.34 O ATOM 0 H TYR A 112 2.441 -1.843 -3.868 1.00 54.23 H new ATOM 0 HA TYR A 112 0.070 -2.097 -2.369 1.00 53.10 H new ATOM 0 HB2 TYR A 112 2.106 -0.897 -1.635 1.00 74.40 H new ATOM 0 HB3 TYR A 112 1.859 0.313 -2.878 1.00 74.40 H new ATOM 0 HD1 TYR A 112 0.592 -0.982 0.347 1.00 64.20 H new ATOM 0 HD2 TYR A 112 0.177 2.079 -2.591 1.00 44.05 H new ATOM 0 HE1 TYR A 112 -0.762 0.338 1.912 1.00 35.32 H new ATOM 0 HE2 TYR A 112 -1.168 3.404 -1.019 1.00 42.22 H new ATOM 0 HH TYR A 112 -2.001 3.565 1.028 1.00 44.34 H new ATOM 1861 N MET A 113 -0.109 -0.119 -5.004 1.00 32.21 N ATOM 1862 CA MET A 113 -1.017 0.579 -5.921 1.00 12.20 C ATOM 1863 C MET A 113 -2.094 -0.369 -6.480 1.00 53.22 C ATOM 1864 O MET A 113 -3.256 0.012 -6.627 1.00 73.23 O ATOM 1865 CB MET A 113 -0.204 1.189 -7.066 1.00 63.43 C ATOM 1866 CG MET A 113 -1.009 2.045 -8.036 1.00 54.22 C ATOM 1867 SD MET A 113 0.030 2.771 -9.320 1.00 21.35 S ATOM 1868 CE MET A 113 1.237 3.638 -8.317 1.00 31.45 C ATOM 0 H MET A 113 0.862 -0.137 -5.316 1.00 32.21 H new ATOM 0 HA MET A 113 -1.529 1.367 -5.369 1.00 12.20 H new ATOM 0 HB2 MET A 113 0.594 1.798 -6.642 1.00 63.43 H new ATOM 0 HB3 MET A 113 0.273 0.383 -7.624 1.00 63.43 H new ATOM 0 HG2 MET A 113 -1.785 1.436 -8.499 1.00 54.22 H new ATOM 0 HG3 MET A 113 -1.513 2.839 -7.486 1.00 54.22 H new ATOM 0 HE1 MET A 113 1.922 4.185 -8.964 1.00 31.45 H new ATOM 0 HE2 MET A 113 0.726 4.338 -7.656 1.00 31.45 H new ATOM 0 HE3 MET A 113 1.798 2.919 -7.720 1.00 31.45 H new ATOM 1878 N LYS A 114 -1.693 -1.600 -6.790 1.00 63.53 N ATOM 1879 CA LYS A 114 -2.620 -2.614 -7.308 1.00 52.02 C ATOM 1880 C LYS A 114 -3.707 -2.978 -6.286 1.00 24.11 C ATOM 1881 O LYS A 114 -4.900 -2.958 -6.597 1.00 54.51 O ATOM 1882 CB LYS A 114 -1.850 -3.891 -7.681 1.00 55.43 C ATOM 1883 CG LYS A 114 -0.888 -3.733 -8.851 1.00 23.43 C ATOM 1884 CD LYS A 114 -0.053 -4.997 -9.065 1.00 61.52 C ATOM 1885 CE LYS A 114 -0.925 -6.235 -9.267 1.00 11.41 C ATOM 1886 NZ LYS A 114 -0.113 -7.465 -9.447 1.00 1.12 N ATOM 0 H LYS A 114 -0.731 -1.924 -6.693 1.00 63.53 H new ATOM 0 HA LYS A 114 -3.101 -2.186 -8.187 1.00 52.02 H new ATOM 0 HB2 LYS A 114 -1.289 -4.229 -6.810 1.00 55.43 H new ATOM 0 HB3 LYS A 114 -2.568 -4.675 -7.921 1.00 55.43 H new ATOM 0 HG2 LYS A 114 -1.450 -3.509 -9.758 1.00 23.43 H new ATOM 0 HG3 LYS A 114 -0.227 -2.886 -8.668 1.00 23.43 H new ATOM 0 HD2 LYS A 114 0.591 -4.862 -9.934 1.00 61.52 H new ATOM 0 HD3 LYS A 114 0.599 -5.150 -8.205 1.00 61.52 H new ATOM 0 HE2 LYS A 114 -1.584 -6.358 -8.407 1.00 11.41 H new ATOM 0 HE3 LYS A 114 -1.563 -6.091 -10.139 1.00 11.41 H new ATOM 0 HZ1 LYS A 114 -0.744 -8.281 -9.581 1.00 1.12 H new ATOM 0 HZ2 LYS A 114 0.498 -7.359 -10.282 1.00 1.12 H new ATOM 0 HZ3 LYS A 114 0.477 -7.618 -8.604 1.00 1.12 H new ATOM 1900 N TYR A 115 -3.288 -3.309 -5.065 1.00 61.44 N ATOM 1901 CA TYR A 115 -4.204 -3.883 -4.071 1.00 42.12 C ATOM 1902 C TYR A 115 -4.763 -2.845 -3.076 1.00 12.21 C ATOM 1903 O TYR A 115 -5.976 -2.742 -2.897 1.00 53.12 O ATOM 1904 CB TYR A 115 -3.491 -4.998 -3.289 1.00 25.11 C ATOM 1905 CG TYR A 115 -2.926 -6.121 -4.152 1.00 12.10 C ATOM 1906 CD1 TYR A 115 -3.677 -6.697 -5.173 1.00 60.40 C ATOM 1907 CD2 TYR A 115 -1.647 -6.624 -3.923 1.00 70.32 C ATOM 1908 CE1 TYR A 115 -3.173 -7.733 -5.938 1.00 3.02 C ATOM 1909 CE2 TYR A 115 -1.138 -7.656 -4.688 1.00 22.45 C ATOM 1910 CZ TYR A 115 -1.904 -8.209 -5.691 1.00 1.44 C ATOM 1911 OH TYR A 115 -1.406 -9.250 -6.445 1.00 43.32 O ATOM 0 H TYR A 115 -2.329 -3.192 -4.739 1.00 61.44 H new ATOM 0 HA TYR A 115 -5.053 -4.279 -4.629 1.00 42.12 H new ATOM 0 HB2 TYR A 115 -2.678 -4.556 -2.713 1.00 25.11 H new ATOM 0 HB3 TYR A 115 -4.192 -5.426 -2.573 1.00 25.11 H new ATOM 0 HD1 TYR A 115 -4.672 -6.328 -5.371 1.00 60.40 H new ATOM 0 HD2 TYR A 115 -1.043 -6.200 -3.134 1.00 70.32 H new ATOM 0 HE1 TYR A 115 -3.771 -8.167 -6.725 1.00 3.02 H new ATOM 0 HE2 TYR A 115 -0.142 -8.028 -4.500 1.00 22.45 H new ATOM 0 HH TYR A 115 -1.467 -10.083 -5.933 1.00 43.32 H new ATOM 1921 N LEU A 116 -3.883 -2.059 -2.454 1.00 10.43 N ATOM 1922 CA LEU A 116 -4.261 -1.269 -1.265 1.00 53.10 C ATOM 1923 C LEU A 116 -4.561 0.215 -1.560 1.00 1.23 C ATOM 1924 O LEU A 116 -5.242 0.871 -0.767 1.00 32.32 O ATOM 1925 CB LEU A 116 -3.147 -1.366 -0.213 1.00 0.13 C ATOM 1926 CG LEU A 116 -2.814 -2.791 0.265 1.00 1.04 C ATOM 1927 CD1 LEU A 116 -1.650 -2.777 1.255 1.00 43.43 C ATOM 1928 CD2 LEU A 116 -4.039 -3.452 0.889 1.00 42.34 C ATOM 0 H LEU A 116 -2.912 -1.948 -2.744 1.00 10.43 H new ATOM 0 HA LEU A 116 -5.192 -1.700 -0.897 1.00 53.10 H new ATOM 0 HB2 LEU A 116 -2.242 -0.918 -0.624 1.00 0.13 H new ATOM 0 HB3 LEU A 116 -3.434 -0.768 0.652 1.00 0.13 H new ATOM 0 HG LEU A 116 -2.514 -3.375 -0.605 1.00 1.04 H new ATOM 0 HD11 LEU A 116 -1.434 -3.796 1.578 1.00 43.43 H new ATOM 0 HD12 LEU A 116 -0.768 -2.354 0.774 1.00 43.43 H new ATOM 0 HD13 LEU A 116 -1.916 -2.171 2.121 1.00 43.43 H new ATOM 0 HD21 LEU A 116 -3.781 -4.458 1.220 1.00 42.34 H new ATOM 0 HD22 LEU A 116 -4.374 -2.864 1.743 1.00 42.34 H new ATOM 0 HD23 LEU A 116 -4.839 -3.507 0.150 1.00 42.34 H new ATOM 1940 N TYR A 117 -4.072 0.741 -2.684 1.00 52.54 N ATOM 1941 CA TYR A 117 -4.187 2.188 -2.967 1.00 14.22 C ATOM 1942 C TYR A 117 -5.642 2.714 -2.886 1.00 3.12 C ATOM 1943 O TYR A 117 -5.917 3.635 -2.116 1.00 62.21 O ATOM 1944 CB TYR A 117 -3.575 2.553 -4.330 1.00 13.24 C ATOM 1945 CG TYR A 117 -3.878 3.980 -4.757 1.00 22.22 C ATOM 1946 CD1 TYR A 117 -3.263 5.061 -4.132 1.00 51.53 C ATOM 1947 CD2 TYR A 117 -4.801 4.245 -5.765 1.00 21.35 C ATOM 1948 CE1 TYR A 117 -3.556 6.359 -4.500 1.00 1.22 C ATOM 1949 CE2 TYR A 117 -5.101 5.541 -6.134 1.00 72.11 C ATOM 1950 CZ TYR A 117 -4.476 6.593 -5.500 1.00 61.13 C ATOM 1951 OH TYR A 117 -4.781 7.882 -5.863 1.00 1.33 O ATOM 0 H TYR A 117 -3.598 0.203 -3.409 1.00 52.54 H new ATOM 0 HA TYR A 117 -3.618 2.681 -2.178 1.00 14.22 H new ATOM 0 HB2 TYR A 117 -2.495 2.415 -4.285 1.00 13.24 H new ATOM 0 HB3 TYR A 117 -3.953 1.866 -5.087 1.00 13.24 H new ATOM 0 HD1 TYR A 117 -2.545 4.881 -3.346 1.00 51.53 H new ATOM 0 HD2 TYR A 117 -5.290 3.423 -6.267 1.00 21.35 H new ATOM 0 HE1 TYR A 117 -3.067 7.187 -4.007 1.00 1.22 H new ATOM 0 HE2 TYR A 117 -5.822 5.730 -6.916 1.00 72.11 H new ATOM 0 HH TYR A 117 -5.417 8.261 -5.221 1.00 1.33 H new ATOM 1961 N PRO A 118 -6.607 2.152 -3.659 1.00 52.34 N ATOM 1962 CA PRO A 118 -7.990 2.671 -3.665 1.00 4.33 C ATOM 1963 C PRO A 118 -8.618 2.683 -2.260 1.00 71.02 C ATOM 1964 O PRO A 118 -9.541 3.454 -1.982 1.00 11.21 O ATOM 1965 CB PRO A 118 -8.741 1.705 -4.604 1.00 33.33 C ATOM 1966 CG PRO A 118 -7.878 0.489 -4.680 1.00 52.34 C ATOM 1967 CD PRO A 118 -6.463 0.984 -4.553 1.00 70.15 C ATOM 0 HA PRO A 118 -8.034 3.709 -3.995 1.00 4.33 H new ATOM 0 HB2 PRO A 118 -9.729 1.463 -4.213 1.00 33.33 H new ATOM 0 HB3 PRO A 118 -8.887 2.147 -5.590 1.00 33.33 H new ATOM 0 HG2 PRO A 118 -8.120 -0.213 -3.882 1.00 52.34 H new ATOM 0 HG3 PRO A 118 -8.025 -0.037 -5.623 1.00 52.34 H new ATOM 0 HD2 PRO A 118 -5.806 0.226 -4.127 1.00 70.15 H new ATOM 0 HD3 PRO A 118 -6.043 1.263 -5.519 1.00 70.15 H new ATOM 1975 N TYR A 119 -8.086 1.847 -1.366 1.00 30.33 N ATOM 1976 CA TYR A 119 -8.605 1.725 -0.001 1.00 5.13 C ATOM 1977 C TYR A 119 -8.288 2.982 0.833 1.00 3.13 C ATOM 1978 O TYR A 119 -9.152 3.490 1.550 1.00 31.52 O ATOM 1979 CB TYR A 119 -8.021 0.469 0.672 1.00 32.33 C ATOM 1980 CG TYR A 119 -8.727 0.053 1.956 1.00 33.23 C ATOM 1981 CD1 TYR A 119 -9.860 -0.758 1.917 1.00 54.45 C ATOM 1982 CD2 TYR A 119 -8.258 0.457 3.202 1.00 23.15 C ATOM 1983 CE1 TYR A 119 -10.502 -1.147 3.079 1.00 52.55 C ATOM 1984 CE2 TYR A 119 -8.894 0.068 4.367 1.00 4.43 C ATOM 1985 CZ TYR A 119 -10.014 -0.733 4.301 1.00 40.55 C ATOM 1986 OH TYR A 119 -10.647 -1.121 5.462 1.00 53.50 O ATOM 0 H TYR A 119 -7.290 1.240 -1.564 1.00 30.33 H new ATOM 0 HA TYR A 119 -9.689 1.629 -0.055 1.00 5.13 H new ATOM 0 HB2 TYR A 119 -8.063 -0.359 -0.035 1.00 32.33 H new ATOM 0 HB3 TYR A 119 -6.968 0.647 0.892 1.00 32.33 H new ATOM 0 HD1 TYR A 119 -10.243 -1.088 0.963 1.00 54.45 H new ATOM 0 HD2 TYR A 119 -7.382 1.086 3.261 1.00 23.15 H new ATOM 0 HE1 TYR A 119 -11.381 -1.772 3.030 1.00 52.55 H new ATOM 0 HE2 TYR A 119 -8.514 0.391 5.325 1.00 4.43 H new ATOM 0 HH TYR A 119 -10.175 -0.744 6.234 1.00 53.50 H new ATOM 1996 N GLU A 120 -7.056 3.499 0.725 1.00 22.33 N ATOM 1997 CA GLU A 120 -6.666 4.697 1.487 1.00 50.32 C ATOM 1998 C GLU A 120 -7.448 5.933 1.011 1.00 54.02 C ATOM 1999 O GLU A 120 -7.800 6.799 1.811 1.00 50.53 O ATOM 2000 CB GLU A 120 -5.150 4.974 1.394 1.00 33.10 C ATOM 2001 CG GLU A 120 -4.669 5.433 0.019 1.00 20.32 C ATOM 2002 CD GLU A 120 -3.255 6.000 0.053 1.00 74.01 C ATOM 2003 OE1 GLU A 120 -2.291 5.208 0.054 1.00 54.33 O ATOM 2004 OE2 GLU A 120 -3.106 7.244 0.086 1.00 43.01 O ATOM 0 H GLU A 120 -6.323 3.116 0.129 1.00 22.33 H new ATOM 0 HA GLU A 120 -6.911 4.498 2.530 1.00 50.32 H new ATOM 0 HB2 GLU A 120 -4.888 5.735 2.129 1.00 33.10 H new ATOM 0 HB3 GLU A 120 -4.611 4.067 1.668 1.00 33.10 H new ATOM 0 HG2 GLU A 120 -4.703 4.592 -0.673 1.00 20.32 H new ATOM 0 HG3 GLU A 120 -5.351 6.191 -0.366 1.00 20.32 H new ATOM 2011 N CYS A 121 -7.724 6.000 -0.291 1.00 13.43 N ATOM 2012 CA CYS A 121 -8.434 7.145 -0.876 1.00 25.35 C ATOM 2013 C CYS A 121 -9.921 7.172 -0.480 1.00 61.23 C ATOM 2014 O CYS A 121 -10.394 8.143 0.107 1.00 1.01 O ATOM 2015 CB CYS A 121 -8.314 7.126 -2.406 1.00 22.04 C ATOM 2016 SG CYS A 121 -6.612 7.162 -3.020 1.00 2.11 S ATOM 0 H CYS A 121 -7.468 5.277 -0.963 1.00 13.43 H new ATOM 0 HA CYS A 121 -7.964 8.045 -0.479 1.00 25.35 H new ATOM 0 HB2 CYS A 121 -8.806 6.231 -2.786 1.00 22.04 H new ATOM 0 HB3 CYS A 121 -8.852 7.983 -2.812 1.00 22.04 H new ATOM 0 HG CYS A 121 -6.131 8.363 -2.895 1.00 2.11 H new ATOM 2022 N GLU A 122 -10.651 6.099 -0.781 1.00 23.13 N ATOM 2023 CA GLU A 122 -12.107 6.080 -0.569 1.00 44.21 C ATOM 2024 C GLU A 122 -12.483 5.995 0.922 1.00 11.05 C ATOM 2025 O GLU A 122 -13.476 6.586 1.353 1.00 11.41 O ATOM 2026 CB GLU A 122 -12.749 4.918 -1.347 1.00 34.14 C ATOM 2027 CG GLU A 122 -14.277 4.960 -1.356 1.00 23.12 C ATOM 2028 CD GLU A 122 -14.896 3.957 -2.319 1.00 52.34 C ATOM 2029 OE1 GLU A 122 -14.912 4.231 -3.540 1.00 75.33 O ATOM 2030 OE2 GLU A 122 -15.364 2.895 -1.866 1.00 42.22 O ATOM 0 H GLU A 122 -10.268 5.237 -1.169 1.00 23.13 H new ATOM 0 HA GLU A 122 -12.496 7.026 -0.947 1.00 44.21 H new ATOM 0 HB2 GLU A 122 -12.387 4.936 -2.375 1.00 34.14 H new ATOM 0 HB3 GLU A 122 -12.422 3.974 -0.910 1.00 34.14 H new ATOM 0 HG2 GLU A 122 -14.646 4.763 -0.349 1.00 23.12 H new ATOM 0 HG3 GLU A 122 -14.605 5.964 -1.626 1.00 23.12 H new ATOM 2037 N LYS A 123 -11.693 5.271 1.709 1.00 70.11 N ATOM 2038 CA LYS A 123 -11.995 5.082 3.137 1.00 55.51 C ATOM 2039 C LYS A 123 -11.524 6.264 4.008 1.00 60.35 C ATOM 2040 O LYS A 123 -12.199 6.635 4.971 1.00 35.43 O ATOM 2041 CB LYS A 123 -11.360 3.778 3.638 1.00 65.43 C ATOM 2042 CG LYS A 123 -11.918 2.515 2.976 1.00 41.12 C ATOM 2043 CD LYS A 123 -13.323 2.174 3.471 1.00 54.20 C ATOM 2044 CE LYS A 123 -13.871 0.913 2.803 1.00 43.14 C ATOM 2045 NZ LYS A 123 -15.100 0.408 3.477 1.00 4.23 N ATOM 0 H LYS A 123 -10.843 4.806 1.392 1.00 70.11 H new ATOM 0 HA LYS A 123 -13.080 5.029 3.230 1.00 55.51 H new ATOM 0 HB2 LYS A 123 -10.285 3.821 3.465 1.00 65.43 H new ATOM 0 HB3 LYS A 123 -11.507 3.706 4.716 1.00 65.43 H new ATOM 0 HG2 LYS A 123 -11.939 2.653 1.895 1.00 41.12 H new ATOM 0 HG3 LYS A 123 -11.251 1.677 3.177 1.00 41.12 H new ATOM 0 HD2 LYS A 123 -13.303 2.033 4.552 1.00 54.20 H new ATOM 0 HD3 LYS A 123 -13.992 3.011 3.271 1.00 54.20 H new ATOM 0 HE2 LYS A 123 -14.093 1.125 1.757 1.00 43.14 H new ATOM 0 HE3 LYS A 123 -13.107 0.136 2.815 1.00 43.14 H new ATOM 0 HZ1 LYS A 123 -15.436 -0.448 2.990 1.00 4.23 H new ATOM 0 HZ2 LYS A 123 -14.884 0.180 4.468 1.00 4.23 H new ATOM 0 HZ3 LYS A 123 -15.839 1.138 3.443 1.00 4.23 H new ATOM 2059 N ARG A 124 -10.378 6.867 3.673 1.00 64.54 N ATOM 2060 CA ARG A 124 -9.806 7.935 4.516 1.00 72.13 C ATOM 2061 C ARG A 124 -9.513 9.221 3.710 1.00 45.34 C ATOM 2062 O ARG A 124 -9.703 10.333 4.207 1.00 11.31 O ATOM 2063 CB ARG A 124 -8.526 7.422 5.211 1.00 64.25 C ATOM 2064 CG ARG A 124 -8.222 8.098 6.555 1.00 40.04 C ATOM 2065 CD ARG A 124 -7.527 9.447 6.397 1.00 74.42 C ATOM 2066 NE ARG A 124 -7.570 10.234 7.630 1.00 51.40 N ATOM 2067 CZ ARG A 124 -6.521 10.727 8.235 1.00 3.43 C ATOM 2068 NH1 ARG A 124 -5.325 10.395 7.874 1.00 13.13 N ATOM 2069 NH2 ARG A 124 -6.680 11.515 9.247 1.00 63.22 N ATOM 0 H ARG A 124 -9.833 6.643 2.841 1.00 64.54 H new ATOM 0 HA ARG A 124 -10.547 8.198 5.271 1.00 72.13 H new ATOM 0 HB2 ARG A 124 -8.619 6.348 5.371 1.00 64.25 H new ATOM 0 HB3 ARG A 124 -7.679 7.572 4.542 1.00 64.25 H new ATOM 0 HG2 ARG A 124 -9.153 8.237 7.105 1.00 40.04 H new ATOM 0 HG3 ARG A 124 -7.593 7.439 7.154 1.00 40.04 H new ATOM 0 HD2 ARG A 124 -6.489 9.288 6.105 1.00 74.42 H new ATOM 0 HD3 ARG A 124 -8.003 10.008 5.592 1.00 74.42 H new ATOM 0 HE ARG A 124 -8.484 10.411 8.047 1.00 51.40 H new ATOM 0 HH11 ARG A 124 -5.188 9.738 7.106 1.00 13.13 H new ATOM 0 HH12 ARG A 124 -4.518 10.790 8.358 1.00 13.13 H new ATOM 0 HH21 ARG A 124 -7.619 11.749 9.569 1.00 63.22 H new ATOM 0 HH22 ARG A 124 -5.866 11.903 9.724 1.00 63.22 H new ATOM 2083 N GLY A 125 -9.055 9.066 2.470 1.00 0.23 N ATOM 2084 CA GLY A 125 -8.724 10.221 1.637 1.00 40.01 C ATOM 2085 C GLY A 125 -7.369 10.840 1.969 1.00 54.20 C ATOM 2086 O GLY A 125 -7.292 11.996 2.389 1.00 52.45 O ATOM 0 H GLY A 125 -8.905 8.162 2.023 1.00 0.23 H new ATOM 0 HA2 GLY A 125 -8.730 9.918 0.590 1.00 40.01 H new ATOM 0 HA3 GLY A 125 -9.499 10.978 1.754 1.00 40.01 H new ATOM 2090 N LEU A 126 -6.296 10.072 1.787 1.00 1.52 N ATOM 2091 CA LEU A 126 -4.937 10.563 2.052 1.00 21.12 C ATOM 2092 C LEU A 126 -4.344 11.290 0.838 1.00 10.14 C ATOM 2093 O LEU A 126 -4.063 12.489 0.897 1.00 42.30 O ATOM 2094 CB LEU A 126 -4.027 9.398 2.455 1.00 55.55 C ATOM 2095 CG LEU A 126 -4.320 8.782 3.831 1.00 21.25 C ATOM 2096 CD1 LEU A 126 -3.450 7.550 4.062 1.00 42.24 C ATOM 2097 CD2 LEU A 126 -4.099 9.814 4.933 1.00 44.12 C ATOM 0 H LEU A 126 -6.337 9.108 1.458 1.00 1.52 H new ATOM 0 HA LEU A 126 -5.001 11.280 2.871 1.00 21.12 H new ATOM 0 HB2 LEU A 126 -4.110 8.616 1.700 1.00 55.55 H new ATOM 0 HB3 LEU A 126 -2.994 9.745 2.443 1.00 55.55 H new ATOM 0 HG LEU A 126 -5.364 8.471 3.857 1.00 21.25 H new ATOM 0 HD11 LEU A 126 -3.671 7.127 5.042 1.00 42.24 H new ATOM 0 HD12 LEU A 126 -3.658 6.808 3.291 1.00 42.24 H new ATOM 0 HD13 LEU A 126 -2.398 7.834 4.018 1.00 42.24 H new ATOM 0 HD21 LEU A 126 -4.311 9.362 5.902 1.00 44.12 H new ATOM 0 HD22 LEU A 126 -3.064 10.155 4.910 1.00 44.12 H new ATOM 0 HD23 LEU A 126 -4.764 10.663 4.775 1.00 44.12 H new ATOM 2109 N SER A 127 -4.168 10.569 -0.267 1.00 35.21 N ATOM 2110 CA SER A 127 -3.553 11.146 -1.470 1.00 65.41 C ATOM 2111 C SER A 127 -4.488 11.077 -2.687 1.00 2.55 C ATOM 2112 O SER A 127 -5.385 10.231 -2.755 1.00 72.23 O ATOM 2113 CB SER A 127 -2.228 10.438 -1.777 1.00 11.23 C ATOM 2114 OG SER A 127 -2.416 9.062 -2.073 1.00 53.52 O ATOM 0 H SER A 127 -4.439 9.590 -0.359 1.00 35.21 H new ATOM 0 HA SER A 127 -3.362 12.200 -1.267 1.00 65.41 H new ATOM 0 HB2 SER A 127 -1.743 10.927 -2.621 1.00 11.23 H new ATOM 0 HB3 SER A 127 -1.558 10.537 -0.923 1.00 11.23 H new ATOM 0 HG SER A 127 -2.641 8.578 -1.251 1.00 53.52 H new ATOM 2120 N ASN A 128 -4.285 11.990 -3.641 1.00 54.03 N ATOM 2121 CA ASN A 128 -5.123 12.064 -4.846 1.00 11.52 C ATOM 2122 C ASN A 128 -4.522 11.259 -6.014 1.00 4.33 C ATOM 2123 O ASN A 128 -3.301 11.142 -6.139 1.00 4.24 O ATOM 2124 CB ASN A 128 -5.291 13.520 -5.290 1.00 24.33 C ATOM 2125 CG ASN A 128 -5.781 14.434 -4.184 1.00 40.54 C ATOM 2126 OD1 ASN A 128 -6.976 14.560 -3.947 1.00 42.44 O ATOM 2127 ND2 ASN A 128 -4.864 15.103 -3.524 1.00 33.52 N ATOM 0 H ASN A 128 -3.545 12.691 -3.604 1.00 54.03 H new ATOM 0 HA ASN A 128 -6.091 11.634 -4.587 1.00 11.52 H new ATOM 0 HB2 ASN A 128 -4.336 13.891 -5.662 1.00 24.33 H new ATOM 0 HB3 ASN A 128 -5.994 13.560 -6.122 1.00 24.33 H new ATOM 0 HD21 ASN A 128 -5.138 15.753 -2.787 1.00 33.52 H new ATOM 0 HD22 ASN A 128 -3.877 14.973 -3.748 1.00 33.52 H new ATOM 2134 N PRO A 129 -5.374 10.725 -6.914 1.00 31.40 N ATOM 2135 CA PRO A 129 -4.906 10.001 -8.113 1.00 35.42 C ATOM 2136 C PRO A 129 -4.156 10.914 -9.099 1.00 1.31 C ATOM 2137 O PRO A 129 -3.281 10.462 -9.840 1.00 3.10 O ATOM 2138 CB PRO A 129 -6.206 9.467 -8.736 1.00 64.23 C ATOM 2139 CG PRO A 129 -7.276 10.376 -8.226 1.00 12.32 C ATOM 2140 CD PRO A 129 -6.849 10.773 -6.838 1.00 71.33 C ATOM 0 HA PRO A 129 -4.189 9.219 -7.864 1.00 35.42 H new ATOM 0 HB2 PRO A 129 -6.159 9.484 -9.825 1.00 64.23 H new ATOM 0 HB3 PRO A 129 -6.391 8.434 -8.441 1.00 64.23 H new ATOM 0 HG2 PRO A 129 -7.384 11.251 -8.867 1.00 12.32 H new ATOM 0 HG3 PRO A 129 -8.242 9.872 -8.209 1.00 12.32 H new ATOM 0 HD2 PRO A 129 -7.207 11.769 -6.576 1.00 71.33 H new ATOM 0 HD3 PRO A 129 -7.236 10.086 -6.085 1.00 71.33 H new ATOM 2148 N ASN A 130 -4.493 12.204 -9.091 1.00 33.00 N ATOM 2149 CA ASN A 130 -3.838 13.178 -9.971 1.00 44.22 C ATOM 2150 C ASN A 130 -2.385 13.430 -9.536 1.00 53.10 C ATOM 2151 O ASN A 130 -1.464 13.362 -10.352 1.00 41.23 O ATOM 2152 CB ASN A 130 -4.623 14.495 -9.991 1.00 2.14 C ATOM 2153 CG ASN A 130 -6.034 14.321 -10.527 1.00 42.12 C ATOM 2154 OD1 ASN A 130 -6.299 13.448 -11.345 1.00 5.53 O ATOM 2155 ND2 ASN A 130 -6.950 15.151 -10.078 1.00 71.12 N ATOM 0 H ASN A 130 -5.214 12.600 -8.487 1.00 33.00 H new ATOM 0 HA ASN A 130 -3.822 12.762 -10.978 1.00 44.22 H new ATOM 0 HB2 ASN A 130 -4.669 14.903 -8.981 1.00 2.14 H new ATOM 0 HB3 ASN A 130 -4.091 15.222 -10.605 1.00 2.14 H new ATOM 0 HD21 ASN A 130 -7.911 15.078 -10.411 1.00 71.12 H new ATOM 0 HD22 ASN A 130 -6.699 15.868 -9.397 1.00 71.12 H new ATOM 2162 N GLU A 131 -2.183 13.720 -8.248 1.00 73.41 N ATOM 2163 CA GLU A 131 -0.830 13.909 -7.714 1.00 2.13 C ATOM 2164 C GLU A 131 -0.015 12.605 -7.826 1.00 2.41 C ATOM 2165 O GLU A 131 1.198 12.634 -8.039 1.00 11.51 O ATOM 2166 CB GLU A 131 -0.875 14.404 -6.256 1.00 40.32 C ATOM 2167 CG GLU A 131 -1.379 13.377 -5.253 1.00 35.02 C ATOM 2168 CD GLU A 131 -1.282 13.870 -3.817 1.00 51.13 C ATOM 2169 OE1 GLU A 131 -0.156 14.011 -3.303 1.00 13.41 O ATOM 2170 OE2 GLU A 131 -2.332 14.140 -3.206 1.00 4.34 O ATOM 0 H GLU A 131 -2.930 13.828 -7.561 1.00 73.41 H new ATOM 0 HA GLU A 131 -0.334 14.674 -8.311 1.00 2.13 H new ATOM 0 HB2 GLU A 131 0.126 14.718 -5.962 1.00 40.32 H new ATOM 0 HB3 GLU A 131 -1.514 15.286 -6.205 1.00 40.32 H new ATOM 0 HG2 GLU A 131 -2.416 13.131 -5.480 1.00 35.02 H new ATOM 0 HG3 GLU A 131 -0.803 12.458 -5.358 1.00 35.02 H new ATOM 2177 N LEU A 132 -0.701 11.466 -7.692 1.00 13.52 N ATOM 2178 CA LEU A 132 -0.079 10.147 -7.871 1.00 42.14 C ATOM 2179 C LEU A 132 0.625 10.032 -9.234 1.00 24.31 C ATOM 2180 O LEU A 132 1.779 9.605 -9.313 1.00 0.54 O ATOM 2181 CB LEU A 132 -1.140 9.041 -7.743 1.00 21.32 C ATOM 2182 CG LEU A 132 -0.617 7.602 -7.911 1.00 44.45 C ATOM 2183 CD1 LEU A 132 0.390 7.255 -6.818 1.00 33.40 C ATOM 2184 CD2 LEU A 132 -1.770 6.600 -7.922 1.00 22.42 C ATOM 0 H LEU A 132 -1.693 11.429 -7.459 1.00 13.52 H new ATOM 0 HA LEU A 132 0.672 10.028 -7.090 1.00 42.14 H new ATOM 0 HB2 LEU A 132 -1.613 9.126 -6.765 1.00 21.32 H new ATOM 0 HB3 LEU A 132 -1.916 9.217 -8.488 1.00 21.32 H new ATOM 0 HG LEU A 132 -0.106 7.542 -8.872 1.00 44.45 H new ATOM 0 HD11 LEU A 132 0.744 6.234 -6.960 1.00 33.40 H new ATOM 0 HD12 LEU A 132 1.235 7.942 -6.870 1.00 33.40 H new ATOM 0 HD13 LEU A 132 -0.088 7.341 -5.842 1.00 33.40 H new ATOM 0 HD21 LEU A 132 -1.374 5.591 -8.042 1.00 22.42 H new ATOM 0 HD22 LEU A 132 -2.318 6.666 -6.982 1.00 22.42 H new ATOM 0 HD23 LEU A 132 -2.441 6.827 -8.750 1.00 22.42 H new ATOM 2196 N GLN A 133 -0.072 10.425 -10.303 1.00 22.42 N ATOM 2197 CA GLN A 133 0.484 10.351 -11.661 1.00 73.03 C ATOM 2198 C GLN A 133 1.770 11.188 -11.790 1.00 70.40 C ATOM 2199 O GLN A 133 2.736 10.771 -12.437 1.00 33.15 O ATOM 2200 CB GLN A 133 -0.561 10.808 -12.691 1.00 2.10 C ATOM 2201 CG GLN A 133 -0.114 10.673 -14.146 1.00 0.03 C ATOM 2202 CD GLN A 133 0.366 9.270 -14.487 1.00 31.43 C ATOM 2203 OE1 GLN A 133 -0.414 8.404 -14.868 1.00 13.52 O ATOM 2204 NE2 GLN A 133 1.658 9.033 -14.364 1.00 3.53 N ATOM 0 H GLN A 133 -1.021 10.797 -10.257 1.00 22.42 H new ATOM 0 HA GLN A 133 0.744 9.311 -11.860 1.00 73.03 H new ATOM 0 HB2 GLN A 133 -1.472 10.227 -12.548 1.00 2.10 H new ATOM 0 HB3 GLN A 133 -0.814 11.850 -12.496 1.00 2.10 H new ATOM 0 HG2 GLN A 133 -0.943 10.938 -14.802 1.00 0.03 H new ATOM 0 HG3 GLN A 133 0.688 11.384 -14.343 1.00 0.03 H new ATOM 0 HE21 GLN A 133 2.284 9.772 -14.045 1.00 3.53 H new ATOM 0 HE22 GLN A 133 2.031 8.110 -14.588 1.00 3.53 H new ATOM 2213 N ALA A 134 1.777 12.366 -11.168 1.00 61.41 N ATOM 2214 CA ALA A 134 2.975 13.214 -11.132 1.00 74.24 C ATOM 2215 C ALA A 134 4.102 12.549 -10.323 1.00 43.24 C ATOM 2216 O ALA A 134 5.264 12.565 -10.727 1.00 55.33 O ATOM 2217 CB ALA A 134 2.634 14.579 -10.543 1.00 61.51 C ATOM 0 H ALA A 134 0.970 12.757 -10.682 1.00 61.41 H new ATOM 0 HA ALA A 134 3.329 13.346 -12.154 1.00 74.24 H new ATOM 0 HB1 ALA A 134 3.530 15.200 -10.521 1.00 61.51 H new ATOM 0 HB2 ALA A 134 1.874 15.061 -11.158 1.00 61.51 H new ATOM 0 HB3 ALA A 134 2.255 14.453 -9.529 1.00 61.51 H new ATOM 2223 N ALA A 135 3.738 11.965 -9.180 1.00 0.01 N ATOM 2224 CA ALA A 135 4.689 11.249 -8.315 1.00 43.15 C ATOM 2225 C ALA A 135 5.420 10.130 -9.071 1.00 15.53 C ATOM 2226 O ALA A 135 6.655 10.072 -9.098 1.00 11.32 O ATOM 2227 CB ALA A 135 3.950 10.663 -7.118 1.00 42.55 C ATOM 0 H ALA A 135 2.782 11.972 -8.825 1.00 0.01 H new ATOM 0 HA ALA A 135 5.438 11.966 -7.978 1.00 43.15 H new ATOM 0 HB1 ALA A 135 4.656 10.133 -6.478 1.00 42.55 H new ATOM 0 HB2 ALA A 135 3.480 11.467 -6.552 1.00 42.55 H new ATOM 0 HB3 ALA A 135 3.185 9.969 -7.467 1.00 42.55 H new ATOM 2233 N ILE A 136 4.639 9.239 -9.673 1.00 40.34 N ATOM 2234 CA ILE A 136 5.171 8.135 -10.477 1.00 13.42 C ATOM 2235 C ILE A 136 6.084 8.651 -11.592 1.00 10.44 C ATOM 2236 O ILE A 136 7.212 8.178 -11.759 1.00 44.11 O ATOM 2237 CB ILE A 136 4.014 7.330 -11.107 1.00 12.51 C ATOM 2238 CG1 ILE A 136 3.112 6.754 -10.003 1.00 30.34 C ATOM 2239 CG2 ILE A 136 4.549 6.222 -12.020 1.00 63.44 C ATOM 2240 CD1 ILE A 136 1.726 6.378 -10.478 1.00 33.31 C ATOM 0 H ILE A 136 3.621 9.258 -9.620 1.00 40.34 H new ATOM 0 HA ILE A 136 5.752 7.494 -9.814 1.00 13.42 H new ATOM 0 HB ILE A 136 3.418 8.001 -11.725 1.00 12.51 H new ATOM 0 HG12 ILE A 136 3.592 5.872 -9.579 1.00 30.34 H new ATOM 0 HG13 ILE A 136 3.024 7.486 -9.200 1.00 30.34 H new ATOM 0 HG21 ILE A 136 3.713 5.670 -12.451 1.00 63.44 H new ATOM 0 HG22 ILE A 136 5.143 6.665 -12.820 1.00 63.44 H new ATOM 0 HG23 ILE A 136 5.172 5.542 -11.440 1.00 63.44 H new ATOM 0 HD11 ILE A 136 1.151 5.980 -9.642 1.00 33.31 H new ATOM 0 HD12 ILE A 136 1.225 7.261 -10.875 1.00 33.31 H new ATOM 0 HD13 ILE A 136 1.802 5.622 -11.259 1.00 33.31 H new ATOM 2252 N ASP A 137 5.581 9.625 -12.352 1.00 0.23 N ATOM 2253 CA ASP A 137 6.347 10.246 -13.428 1.00 11.32 C ATOM 2254 C ASP A 137 7.702 10.755 -12.922 1.00 44.45 C ATOM 2255 O ASP A 137 8.737 10.485 -13.527 1.00 31.23 O ATOM 2256 CB ASP A 137 5.546 11.395 -14.048 1.00 43.33 C ATOM 2257 CG ASP A 137 6.345 12.165 -15.084 1.00 50.42 C ATOM 2258 OD1 ASP A 137 6.389 11.730 -16.250 1.00 74.22 O ATOM 2259 OD2 ASP A 137 6.936 13.205 -14.732 1.00 62.23 O ATOM 0 H ASP A 137 4.640 10.001 -12.239 1.00 0.23 H new ATOM 0 HA ASP A 137 6.536 9.490 -14.190 1.00 11.32 H new ATOM 0 HB2 ASP A 137 4.644 10.996 -14.512 1.00 43.33 H new ATOM 0 HB3 ASP A 137 5.225 12.077 -13.260 1.00 43.33 H new ATOM 2264 N SER A 138 7.686 11.474 -11.804 1.00 34.22 N ATOM 2265 CA SER A 138 8.920 11.990 -11.196 1.00 72.24 C ATOM 2266 C SER A 138 9.924 10.859 -10.941 1.00 11.52 C ATOM 2267 O SER A 138 11.058 10.910 -11.416 1.00 32.11 O ATOM 2268 CB SER A 138 8.606 12.720 -9.882 1.00 12.44 C ATOM 2269 OG SER A 138 7.718 13.806 -10.098 1.00 53.55 O ATOM 0 H SER A 138 6.835 11.716 -11.296 1.00 34.22 H new ATOM 0 HA SER A 138 9.368 12.695 -11.896 1.00 72.24 H new ATOM 0 HB2 SER A 138 8.164 12.021 -9.171 1.00 12.44 H new ATOM 0 HB3 SER A 138 9.531 13.086 -9.436 1.00 12.44 H new ATOM 0 HG SER A 138 6.834 13.462 -10.342 1.00 53.55 H new ATOM 2275 N ASN A 139 9.486 9.819 -10.226 1.00 52.00 N ATOM 2276 CA ASN A 139 10.354 8.672 -9.911 1.00 42.24 C ATOM 2277 C ASN A 139 10.974 8.053 -11.176 1.00 72.02 C ATOM 2278 O ASN A 139 12.168 7.751 -11.213 1.00 34.14 O ATOM 2279 CB ASN A 139 9.574 7.592 -9.142 1.00 23.12 C ATOM 2280 CG ASN A 139 9.318 7.943 -7.683 1.00 44.30 C ATOM 2281 OD1 ASN A 139 9.177 9.217 -7.373 1.00 52.12 O flip ATOM 2282 ND2 ASN A 139 9.241 7.062 -6.835 1.00 2.30 N flip ATOM 0 H ASN A 139 8.539 9.744 -9.854 1.00 52.00 H new ATOM 0 HA ASN A 139 11.163 9.051 -9.286 1.00 42.24 H new ATOM 0 HB2 ASN A 139 8.619 7.424 -9.639 1.00 23.12 H new ATOM 0 HB3 ASN A 139 10.127 6.654 -9.189 1.00 23.12 H new ATOM 0 HD21 ASN A 139 9.354 6.084 -7.103 1.00 2.30 H new ATOM 0 HD22 ASN A 139 9.064 7.306 -5.861 1.00 2.30 H new ATOM 2289 N ARG A 140 10.158 7.856 -12.210 1.00 10.20 N ATOM 2290 CA ARG A 140 10.631 7.248 -13.460 1.00 54.30 C ATOM 2291 C ARG A 140 11.404 8.254 -14.339 1.00 70.43 C ATOM 2292 O ARG A 140 12.221 7.862 -15.172 1.00 55.23 O ATOM 2293 CB ARG A 140 9.452 6.607 -14.223 1.00 40.01 C ATOM 2294 CG ARG A 140 8.306 7.552 -14.590 1.00 32.35 C ATOM 2295 CD ARG A 140 8.478 8.184 -15.968 1.00 62.33 C ATOM 2296 NE ARG A 140 8.694 7.175 -17.004 1.00 42.21 N ATOM 2297 CZ ARG A 140 8.043 7.122 -18.135 1.00 45.40 C ATOM 2298 NH1 ARG A 140 7.145 8.004 -18.434 1.00 44.44 N ATOM 2299 NH2 ARG A 140 8.295 6.177 -18.978 1.00 1.15 N ATOM 0 H ARG A 140 9.169 8.106 -12.211 1.00 10.20 H new ATOM 0 HA ARG A 140 11.339 6.460 -13.203 1.00 54.30 H new ATOM 0 HB2 ARG A 140 9.837 6.159 -15.139 1.00 40.01 H new ATOM 0 HB3 ARG A 140 9.049 5.796 -13.617 1.00 40.01 H new ATOM 0 HG2 ARG A 140 7.365 7.002 -14.562 1.00 32.35 H new ATOM 0 HG3 ARG A 140 8.237 8.340 -13.840 1.00 32.35 H new ATOM 0 HD2 ARG A 140 7.593 8.772 -16.212 1.00 62.33 H new ATOM 0 HD3 ARG A 140 9.323 8.873 -15.949 1.00 62.33 H new ATOM 0 HE ARG A 140 9.403 6.462 -16.831 1.00 42.21 H new ATOM 0 HH11 ARG A 140 6.934 8.759 -17.781 1.00 44.44 H new ATOM 0 HH12 ARG A 140 6.648 7.945 -19.323 1.00 44.44 H new ATOM 0 HH21 ARG A 140 9.001 5.474 -18.760 1.00 1.15 H new ATOM 0 HH22 ARG A 140 7.788 6.133 -19.862 1.00 1.15 H new ATOM 2313 N ARG A 141 11.150 9.546 -14.144 1.00 2.30 N ATOM 2314 CA ARG A 141 11.846 10.601 -14.898 1.00 4.44 C ATOM 2315 C ARG A 141 13.245 10.867 -14.311 1.00 33.23 C ATOM 2316 O ARG A 141 14.145 11.340 -15.005 1.00 22.34 O ATOM 2317 CB ARG A 141 11.007 11.891 -14.896 1.00 45.14 C ATOM 2318 CG ARG A 141 11.524 12.978 -15.836 1.00 44.11 C ATOM 2319 CD ARG A 141 10.590 14.188 -15.880 1.00 24.24 C ATOM 2320 NE ARG A 141 9.229 13.831 -16.296 1.00 44.53 N ATOM 2321 CZ ARG A 141 8.615 14.339 -17.332 1.00 52.33 C ATOM 2322 NH1 ARG A 141 9.217 15.179 -18.113 1.00 11.32 N ATOM 2323 NH2 ARG A 141 7.402 13.980 -17.596 1.00 73.34 N ATOM 0 H ARG A 141 10.467 9.894 -13.471 1.00 2.30 H new ATOM 0 HA ARG A 141 11.972 10.263 -15.927 1.00 4.44 H new ATOM 0 HB2 ARG A 141 9.982 11.644 -15.173 1.00 45.14 H new ATOM 0 HB3 ARG A 141 10.976 12.289 -13.882 1.00 45.14 H new ATOM 0 HG2 ARG A 141 12.515 13.296 -15.512 1.00 44.11 H new ATOM 0 HG3 ARG A 141 11.633 12.568 -16.840 1.00 44.11 H new ATOM 0 HD2 ARG A 141 10.555 14.652 -14.895 1.00 24.24 H new ATOM 0 HD3 ARG A 141 10.994 14.930 -16.568 1.00 24.24 H new ATOM 0 HE ARG A 141 8.728 13.139 -15.739 1.00 44.53 H new ATOM 0 HH11 ARG A 141 10.181 15.451 -17.923 1.00 11.32 H new ATOM 0 HH12 ARG A 141 8.727 15.568 -18.918 1.00 11.32 H new ATOM 0 HH21 ARG A 141 6.929 13.303 -16.997 1.00 73.34 H new ATOM 0 HH22 ARG A 141 6.918 14.373 -18.403 1.00 73.34 H new ATOM 2337 N GLU A 142 13.424 10.543 -13.030 1.00 33.03 N ATOM 2338 CA GLU A 142 14.730 10.668 -12.362 1.00 72.30 C ATOM 2339 C GLU A 142 15.699 9.543 -12.777 1.00 44.13 C ATOM 2340 O GLU A 142 16.820 9.452 -12.268 1.00 75.42 O ATOM 2341 CB GLU A 142 14.542 10.662 -10.836 1.00 12.34 C ATOM 2342 CG GLU A 142 13.765 11.865 -10.303 1.00 41.52 C ATOM 2343 CD GLU A 142 13.441 11.750 -8.820 1.00 14.43 C ATOM 2344 OE1 GLU A 142 12.385 11.179 -8.476 1.00 15.52 O ATOM 2345 OE2 GLU A 142 14.234 12.233 -7.984 1.00 73.40 O ATOM 0 H GLU A 142 12.680 10.190 -12.428 1.00 33.03 H new ATOM 0 HA GLU A 142 15.171 11.615 -12.674 1.00 72.30 H new ATOM 0 HB2 GLU A 142 14.021 9.749 -10.548 1.00 12.34 H new ATOM 0 HB3 GLU A 142 15.522 10.634 -10.359 1.00 12.34 H new ATOM 0 HG2 GLU A 142 14.346 12.771 -10.474 1.00 41.52 H new ATOM 0 HG3 GLU A 142 12.837 11.970 -10.865 1.00 41.52 H new ATOM 2352 N GLY A 143 15.266 8.693 -13.710 1.00 64.15 N ATOM 2353 CA GLY A 143 16.106 7.602 -14.192 1.00 51.20 C ATOM 2354 C GLY A 143 17.175 8.053 -15.184 1.00 71.34 C ATOM 2355 O GLY A 143 17.203 7.600 -16.330 1.00 1.14 O ATOM 0 H GLY A 143 14.344 8.741 -14.143 1.00 64.15 H new ATOM 0 HA2 GLY A 143 16.590 7.122 -13.341 1.00 51.20 H new ATOM 0 HA3 GLY A 143 15.475 6.850 -14.666 1.00 51.20 H new ATOM 2359 N ARG A 144 18.057 8.949 -14.743 1.00 10.41 N ATOM 2360 CA ARG A 144 19.154 9.443 -15.585 1.00 44.24 C ATOM 2361 C ARG A 144 20.356 8.485 -15.578 1.00 41.21 C ATOM 2362 O ARG A 144 20.387 7.505 -14.829 1.00 3.05 O ATOM 2363 CB ARG A 144 19.613 10.836 -15.118 1.00 41.20 C ATOM 2364 CG ARG A 144 19.918 10.924 -13.620 1.00 20.20 C ATOM 2365 CD ARG A 144 20.893 12.055 -13.295 1.00 70.25 C ATOM 2366 NE ARG A 144 22.253 11.736 -13.734 1.00 72.05 N ATOM 2367 CZ ARG A 144 23.334 12.289 -13.254 1.00 61.13 C ATOM 2368 NH1 ARG A 144 23.268 13.245 -12.383 1.00 13.53 N ATOM 2369 NH2 ARG A 144 24.489 11.884 -13.660 1.00 65.51 N ATOM 0 H ARG A 144 18.036 9.351 -13.806 1.00 10.41 H new ATOM 0 HA ARG A 144 18.769 9.506 -16.603 1.00 44.24 H new ATOM 0 HB2 ARG A 144 20.505 11.119 -15.677 1.00 41.20 H new ATOM 0 HB3 ARG A 144 18.839 11.563 -15.364 1.00 41.20 H new ATOM 0 HG2 ARG A 144 18.989 11.078 -13.070 1.00 20.20 H new ATOM 0 HG3 ARG A 144 20.337 9.977 -13.280 1.00 20.20 H new ATOM 0 HD2 ARG A 144 20.560 12.974 -13.778 1.00 70.25 H new ATOM 0 HD3 ARG A 144 20.891 12.241 -12.221 1.00 70.25 H new ATOM 0 HE ARG A 144 22.363 11.033 -14.465 1.00 72.05 H new ATOM 0 HH11 ARG A 144 22.360 13.579 -12.060 1.00 13.53 H new ATOM 0 HH12 ARG A 144 24.124 13.664 -12.020 1.00 13.53 H new ATOM 0 HH21 ARG A 144 24.553 11.137 -14.351 1.00 65.51 H new ATOM 0 HH22 ARG A 144 25.338 12.311 -13.290 1.00 65.51 H new ATOM 2383 N ARG A 145 21.344 8.787 -16.417 1.00 42.21 N ATOM 2384 CA ARG A 145 22.592 8.006 -16.486 1.00 41.40 C ATOM 2385 C ARG A 145 23.608 8.442 -15.405 1.00 71.13 C ATOM 2386 O ARG A 145 23.832 9.667 -15.242 1.00 37.59 O ATOM 2387 CB ARG A 145 23.214 8.133 -17.887 1.00 31.30 C ATOM 2388 CG ARG A 145 23.406 9.576 -18.348 1.00 72.43 C ATOM 2389 CD ARG A 145 23.969 9.653 -19.762 1.00 5.12 C ATOM 2390 NE ARG A 145 24.128 11.033 -20.209 1.00 22.44 N ATOM 2391 CZ ARG A 145 24.794 11.387 -21.274 1.00 43.42 C ATOM 2392 NH1 ARG A 145 25.347 10.500 -22.035 1.00 4.12 N ATOM 2393 NH2 ARG A 145 24.888 12.635 -21.585 1.00 42.40 N ATOM 2394 OXT ARG A 145 24.194 7.554 -14.740 1.00 37.59 O ATOM 0 H ARG A 145 21.310 9.573 -17.067 1.00 42.21 H new ATOM 0 HA ARG A 145 22.342 6.963 -16.294 1.00 41.40 H new ATOM 0 HB2 ARG A 145 24.180 7.628 -17.892 1.00 31.30 H new ATOM 0 HB3 ARG A 145 22.579 7.614 -18.605 1.00 31.30 H new ATOM 0 HG2 ARG A 145 22.451 10.099 -18.309 1.00 72.43 H new ATOM 0 HG3 ARG A 145 24.079 10.090 -17.661 1.00 72.43 H new ATOM 0 HD2 ARG A 145 24.934 9.146 -19.797 1.00 5.12 H new ATOM 0 HD3 ARG A 145 23.306 9.124 -20.446 1.00 5.12 H new ATOM 0 HE ARG A 145 23.691 11.768 -19.653 1.00 22.44 H new ATOM 0 HH11 ARG A 145 25.266 9.509 -21.806 1.00 4.12 H new ATOM 0 HH12 ARG A 145 25.865 10.791 -22.864 1.00 4.12 H new ATOM 0 HH21 ARG A 145 24.443 13.341 -20.999 1.00 42.40 H new ATOM 0 HH22 ARG A 145 25.408 12.916 -22.417 1.00 42.40 H new TER 2408 ARG A 145