USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 604 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 54 SER OG : rot -87:sc= 0.329 USER MOD Set 1.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 TYR OH : rot 86:sc= 1.11 USER MOD Set 2.2: A 48 THR OG1 : rot 88:sc= 0.749 USER MOD Set 3.1: A 9 TYR OH : rot -1:sc= 1.88 USER MOD Set 3.2: A 35 TYR OH : rot -15:sc= 0.532 USER MOD Set 3.3: A 38 THR OG1 : rot -59:sc= 0.413 USER MOD Set 4.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 61 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 6 THR OG1 : rot -59:sc= 0.336 USER MOD Set 5.2: A 71 ASN : amide:sc= -1.66! C(o=-1.3!,f=-3.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.1 (180deg=0.404) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -111:sc= 0.173 (180deg=-0.042) USER MOD Single : A 18 GLN : amide:sc= -0.611 X(o=-0.61,f=-0.43) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0235) USER MOD Single : A 29 THR OG1 : rot 50:sc= 0.283 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0275 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -34:sc= 0.522 USER MOD Single : A 75 HIS : no HE2:sc= 0.21 K(o=0.21,f=-1.1) USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= 0.807 (180deg=0.405) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 82 HIS : no HE2:sc= 0.0321 K(o=0.032,f=-0.47) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HE2:sc= 0.285 K(o=0.31,f=-2.7!) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.952 23.143 1.818 1.00 53.51 N ATOM 2 CA MET A 1 -5.814 22.347 2.362 1.00 24.45 C ATOM 3 C MET A 1 -5.811 20.923 1.743 1.00 44.42 C ATOM 4 O MET A 1 -6.460 20.011 2.261 1.00 3.22 O ATOM 5 CB MET A 1 -5.876 22.288 3.925 1.00 33.40 C ATOM 6 CG MET A 1 -5.748 23.651 4.637 1.00 62.22 C ATOM 7 SD MET A 1 -7.086 24.797 4.218 1.00 34.32 S ATOM 8 CE MET A 1 -6.636 26.254 5.178 1.00 44.31 C ATOM 0 H1 MET A 1 -7.156 23.939 2.456 1.00 53.51 H new ATOM 0 H2 MET A 1 -6.701 23.509 0.877 1.00 53.51 H new ATOM 0 H3 MET A 1 -7.794 22.537 1.741 1.00 53.51 H new ATOM 0 HA MET A 1 -4.880 22.838 2.088 1.00 24.45 H new ATOM 0 HB2 MET A 1 -6.820 21.829 4.219 1.00 33.40 H new ATOM 0 HB3 MET A 1 -5.080 21.634 4.280 1.00 33.40 H new ATOM 0 HG2 MET A 1 -5.738 23.492 5.715 1.00 62.22 H new ATOM 0 HG3 MET A 1 -4.793 24.104 4.373 1.00 62.22 H new ATOM 0 HE1 MET A 1 -7.374 27.039 5.015 1.00 44.31 H new ATOM 0 HE2 MET A 1 -6.607 25.997 6.237 1.00 44.31 H new ATOM 0 HE3 MET A 1 -5.654 26.608 4.864 1.00 44.31 H new ATOM 20 N ASP A 2 -5.130 20.763 0.582 1.00 21.53 N ATOM 21 CA ASP A 2 -4.990 19.448 -0.097 1.00 75.42 C ATOM 22 C ASP A 2 -3.828 18.616 0.517 1.00 75.11 C ATOM 23 O ASP A 2 -2.648 18.974 0.401 1.00 34.32 O ATOM 24 CB ASP A 2 -4.823 19.619 -1.641 1.00 64.45 C ATOM 25 CG ASP A 2 -3.688 20.579 -2.062 1.00 10.23 C ATOM 26 OD1 ASP A 2 -3.847 21.810 -1.901 1.00 54.25 O ATOM 27 OD2 ASP A 2 -2.644 20.112 -2.571 1.00 22.40 O ATOM 0 H ASP A 2 -4.667 21.530 0.094 1.00 21.53 H new ATOM 0 HA ASP A 2 -5.912 18.891 0.069 1.00 75.42 H new ATOM 0 HB2 ASP A 2 -4.637 18.641 -2.084 1.00 64.45 H new ATOM 0 HB3 ASP A 2 -5.762 19.983 -2.057 1.00 64.45 H new ATOM 32 N GLU A 3 -4.182 17.508 1.183 1.00 61.31 N ATOM 33 CA GLU A 3 -3.207 16.612 1.846 1.00 53.51 C ATOM 34 C GLU A 3 -2.928 15.347 0.990 1.00 64.13 C ATOM 35 O GLU A 3 -3.694 15.011 0.071 1.00 32.54 O ATOM 36 CB GLU A 3 -3.677 16.226 3.284 1.00 52.41 C ATOM 37 CG GLU A 3 -5.054 15.520 3.403 1.00 24.02 C ATOM 38 CD GLU A 3 -6.272 16.472 3.402 1.00 43.23 C ATOM 39 OE1 GLU A 3 -6.645 16.973 4.485 1.00 54.51 O ATOM 40 OE2 GLU A 3 -6.862 16.711 2.322 1.00 11.44 O ATOM 0 H GLU A 3 -5.150 17.202 1.281 1.00 61.31 H new ATOM 0 HA GLU A 3 -2.270 17.161 1.940 1.00 53.51 H new ATOM 0 HB2 GLU A 3 -2.922 15.575 3.725 1.00 52.41 H new ATOM 0 HB3 GLU A 3 -3.707 17.134 3.887 1.00 52.41 H new ATOM 0 HG2 GLU A 3 -5.159 14.817 2.576 1.00 24.02 H new ATOM 0 HG3 GLU A 3 -5.068 14.935 4.323 1.00 24.02 H new ATOM 47 N ASP A 4 -1.811 14.655 1.299 1.00 20.20 N ATOM 48 CA ASP A 4 -1.329 13.489 0.515 1.00 64.41 C ATOM 49 C ASP A 4 -1.231 12.205 1.375 1.00 54.53 C ATOM 50 O ASP A 4 -1.302 12.255 2.607 1.00 71.25 O ATOM 51 CB ASP A 4 0.052 13.819 -0.123 1.00 64.24 C ATOM 52 CG ASP A 4 1.162 14.054 0.919 1.00 14.53 C ATOM 53 OD1 ASP A 4 1.179 15.134 1.547 1.00 63.12 O ATOM 54 OD2 ASP A 4 2.013 13.157 1.124 1.00 24.03 O ATOM 0 H ASP A 4 -1.217 14.885 2.096 1.00 20.20 H new ATOM 0 HA ASP A 4 -2.059 13.293 -0.270 1.00 64.41 H new ATOM 0 HB2 ASP A 4 0.346 13.000 -0.779 1.00 64.24 H new ATOM 0 HB3 ASP A 4 -0.046 14.708 -0.746 1.00 64.24 H new ATOM 59 N ALA A 5 -1.054 11.062 0.692 1.00 71.34 N ATOM 60 CA ALA A 5 -0.838 9.746 1.325 1.00 0.31 C ATOM 61 C ALA A 5 0.293 8.987 0.596 1.00 22.12 C ATOM 62 O ALA A 5 0.331 8.948 -0.646 1.00 22.43 O ATOM 63 CB ALA A 5 -2.139 8.935 1.307 1.00 24.12 C ATOM 0 H ALA A 5 -1.057 11.023 -0.327 1.00 71.34 H new ATOM 0 HA ALA A 5 -0.539 9.893 2.363 1.00 0.31 H new ATOM 0 HB1 ALA A 5 -1.970 7.966 1.776 1.00 24.12 H new ATOM 0 HB2 ALA A 5 -2.911 9.474 1.856 1.00 24.12 H new ATOM 0 HB3 ALA A 5 -2.462 8.788 0.276 1.00 24.12 H new ATOM 69 N THR A 6 1.208 8.384 1.375 1.00 70.01 N ATOM 70 CA THR A 6 2.384 7.664 0.847 1.00 51.24 C ATOM 71 C THR A 6 2.151 6.140 0.898 1.00 54.41 C ATOM 72 O THR A 6 1.809 5.584 1.948 1.00 14.20 O ATOM 73 CB THR A 6 3.687 8.028 1.642 1.00 2.24 C ATOM 74 OG1 THR A 6 3.572 7.612 3.018 1.00 31.23 O ATOM 75 CG2 THR A 6 3.989 9.541 1.589 1.00 50.11 C ATOM 0 H THR A 6 1.154 8.381 2.394 1.00 70.01 H new ATOM 0 HA THR A 6 2.519 7.974 -0.189 1.00 51.24 H new ATOM 0 HB THR A 6 4.511 7.498 1.165 1.00 2.24 H new ATOM 0 HG1 THR A 6 2.800 8.053 3.430 1.00 31.23 H new ATOM 0 HG21 THR A 6 4.899 9.750 2.152 1.00 50.11 H new ATOM 0 HG22 THR A 6 4.125 9.849 0.552 1.00 50.11 H new ATOM 0 HG23 THR A 6 3.157 10.094 2.026 1.00 50.11 H new ATOM 83 N ILE A 7 2.319 5.477 -0.255 1.00 0.32 N ATOM 84 CA ILE A 7 2.155 4.021 -0.393 1.00 31.54 C ATOM 85 C ILE A 7 3.549 3.367 -0.538 1.00 53.10 C ATOM 86 O ILE A 7 4.205 3.509 -1.572 1.00 53.32 O ATOM 87 CB ILE A 7 1.253 3.610 -1.632 1.00 5.34 C ATOM 88 CG1 ILE A 7 -0.145 4.335 -1.643 1.00 45.31 C ATOM 89 CG2 ILE A 7 1.064 2.072 -1.671 1.00 11.22 C ATOM 90 CD1 ILE A 7 -0.134 5.785 -2.119 1.00 33.22 C ATOM 0 H ILE A 7 2.575 5.940 -1.127 1.00 0.32 H new ATOM 0 HA ILE A 7 1.645 3.668 0.503 1.00 31.54 H new ATOM 0 HB ILE A 7 1.781 3.936 -2.528 1.00 5.34 H new ATOM 0 HG12 ILE A 7 -0.823 3.768 -2.281 1.00 45.31 H new ATOM 0 HG13 ILE A 7 -0.557 4.306 -0.634 1.00 45.31 H new ATOM 0 HG21 ILE A 7 0.443 1.803 -2.526 1.00 11.22 H new ATOM 0 HG22 ILE A 7 2.036 1.588 -1.762 1.00 11.22 H new ATOM 0 HG23 ILE A 7 0.579 1.742 -0.752 1.00 11.22 H new ATOM 0 HD11 ILE A 7 -1.147 6.186 -2.086 1.00 33.22 H new ATOM 0 HD12 ILE A 7 0.512 6.376 -1.470 1.00 33.22 H new ATOM 0 HD13 ILE A 7 0.241 5.829 -3.141 1.00 33.22 H new ATOM 102 N THR A 8 3.990 2.652 0.502 1.00 22.33 N ATOM 103 CA THR A 8 5.317 1.999 0.542 1.00 34.32 C ATOM 104 C THR A 8 5.161 0.474 0.743 1.00 2.24 C ATOM 105 O THR A 8 4.610 0.016 1.752 1.00 13.33 O ATOM 106 CB THR A 8 6.209 2.603 1.689 1.00 31.52 C ATOM 107 OG1 THR A 8 6.346 4.024 1.498 1.00 45.52 O ATOM 108 CG2 THR A 8 7.619 1.971 1.749 1.00 32.34 C ATOM 0 H THR A 8 3.439 2.505 1.348 1.00 22.33 H new ATOM 0 HA THR A 8 5.811 2.184 -0.412 1.00 34.32 H new ATOM 0 HB THR A 8 5.706 2.381 2.630 1.00 31.52 H new ATOM 0 HG1 THR A 8 6.900 4.398 2.214 1.00 45.52 H new ATOM 0 HG21 THR A 8 8.188 2.427 2.559 1.00 32.34 H new ATOM 0 HG22 THR A 8 7.530 0.899 1.927 1.00 32.34 H new ATOM 0 HG23 THR A 8 8.134 2.140 0.803 1.00 32.34 H new ATOM 116 N TYR A 9 5.632 -0.306 -0.246 1.00 53.11 N ATOM 117 CA TYR A 9 5.733 -1.782 -0.146 1.00 32.13 C ATOM 118 C TYR A 9 6.919 -2.151 0.778 1.00 44.20 C ATOM 119 O TYR A 9 7.930 -1.446 0.782 1.00 10.14 O ATOM 120 CB TYR A 9 5.944 -2.415 -1.553 1.00 54.33 C ATOM 121 CG TYR A 9 4.786 -2.215 -2.556 1.00 51.51 C ATOM 122 CD1 TYR A 9 4.470 -0.950 -3.072 1.00 52.14 C ATOM 123 CD2 TYR A 9 4.018 -3.298 -2.996 1.00 40.32 C ATOM 124 CE1 TYR A 9 3.438 -0.781 -3.973 1.00 55.15 C ATOM 125 CE2 TYR A 9 2.989 -3.132 -3.897 1.00 41.21 C ATOM 126 CZ TYR A 9 2.704 -1.873 -4.384 1.00 23.12 C ATOM 127 OH TYR A 9 1.673 -1.706 -5.276 1.00 62.13 O ATOM 0 H TYR A 9 5.955 0.065 -1.140 1.00 53.11 H new ATOM 0 HA TYR A 9 4.805 -2.172 0.271 1.00 32.13 H new ATOM 0 HB2 TYR A 9 6.853 -1.998 -1.987 1.00 54.33 H new ATOM 0 HB3 TYR A 9 6.112 -3.485 -1.429 1.00 54.33 H new ATOM 0 HD1 TYR A 9 5.045 -0.091 -2.758 1.00 52.14 H new ATOM 0 HD2 TYR A 9 4.237 -4.287 -2.621 1.00 40.32 H new ATOM 0 HE1 TYR A 9 3.207 0.203 -4.354 1.00 55.15 H new ATOM 0 HE2 TYR A 9 2.408 -3.983 -4.220 1.00 41.21 H new ATOM 0 HH TYR A 9 1.583 -0.756 -5.498 1.00 62.13 H new ATOM 137 N VAL A 10 6.794 -3.238 1.568 1.00 31.40 N ATOM 138 CA VAL A 10 7.853 -3.680 2.522 1.00 73.13 C ATOM 139 C VAL A 10 7.965 -5.227 2.580 1.00 35.33 C ATOM 140 O VAL A 10 6.954 -5.926 2.619 1.00 50.13 O ATOM 141 CB VAL A 10 7.616 -3.117 3.994 1.00 24.44 C ATOM 142 CG1 VAL A 10 7.800 -1.578 4.069 1.00 64.34 C ATOM 143 CG2 VAL A 10 6.226 -3.530 4.547 1.00 0.42 C ATOM 0 H VAL A 10 5.967 -3.835 1.569 1.00 31.40 H new ATOM 0 HA VAL A 10 8.787 -3.268 2.140 1.00 73.13 H new ATOM 0 HB VAL A 10 8.380 -3.570 4.625 1.00 24.44 H new ATOM 0 HG11 VAL A 10 7.628 -1.240 5.091 1.00 64.34 H new ATOM 0 HG12 VAL A 10 8.814 -1.318 3.766 1.00 64.34 H new ATOM 0 HG13 VAL A 10 7.087 -1.093 3.402 1.00 64.34 H new ATOM 0 HG21 VAL A 10 6.100 -3.128 5.552 1.00 0.42 H new ATOM 0 HG22 VAL A 10 5.444 -3.135 3.898 1.00 0.42 H new ATOM 0 HG23 VAL A 10 6.156 -4.617 4.580 1.00 0.42 H new ATOM 153 N ASP A 11 9.212 -5.753 2.557 1.00 30.14 N ATOM 154 CA ASP A 11 9.498 -7.159 2.905 1.00 64.45 C ATOM 155 C ASP A 11 9.449 -7.344 4.436 1.00 25.05 C ATOM 156 O ASP A 11 10.273 -6.774 5.161 1.00 63.32 O ATOM 157 CB ASP A 11 10.906 -7.618 2.404 1.00 33.02 C ATOM 158 CG ASP A 11 10.980 -8.068 0.944 1.00 54.34 C ATOM 159 OD1 ASP A 11 10.135 -8.888 0.530 1.00 12.32 O ATOM 160 OD2 ASP A 11 11.922 -7.653 0.220 1.00 70.44 O ATOM 0 H ASP A 11 10.040 -5.217 2.298 1.00 30.14 H new ATOM 0 HA ASP A 11 8.737 -7.766 2.414 1.00 64.45 H new ATOM 0 HB2 ASP A 11 11.607 -6.796 2.547 1.00 33.02 H new ATOM 0 HB3 ASP A 11 11.245 -8.439 3.035 1.00 33.02 H new ATOM 165 N ASP A 12 8.497 -8.154 4.909 1.00 54.30 N ATOM 166 CA ASP A 12 8.515 -8.722 6.276 1.00 2.02 C ATOM 167 C ASP A 12 9.750 -9.653 6.464 1.00 4.21 C ATOM 168 O ASP A 12 10.243 -9.846 7.581 1.00 52.30 O ATOM 169 CB ASP A 12 7.200 -9.495 6.526 1.00 52.40 C ATOM 170 CG ASP A 12 5.955 -8.595 6.458 1.00 13.33 C ATOM 171 OD1 ASP A 12 5.538 -8.230 5.342 1.00 62.41 O ATOM 172 OD2 ASP A 12 5.406 -8.231 7.522 1.00 34.32 O ATOM 0 H ASP A 12 7.687 -8.440 4.359 1.00 54.30 H new ATOM 0 HA ASP A 12 8.595 -7.913 7.002 1.00 2.02 H new ATOM 0 HB2 ASP A 12 7.107 -10.292 5.788 1.00 52.40 H new ATOM 0 HB3 ASP A 12 7.245 -9.971 7.505 1.00 52.40 H new ATOM 177 N ASP A 13 10.239 -10.198 5.325 1.00 3.32 N ATOM 178 CA ASP A 13 11.467 -11.015 5.240 1.00 2.52 C ATOM 179 C ASP A 13 12.752 -10.170 5.468 1.00 44.21 C ATOM 180 O ASP A 13 13.809 -10.719 5.797 1.00 24.04 O ATOM 181 CB ASP A 13 11.530 -11.698 3.838 1.00 61.33 C ATOM 182 CG ASP A 13 10.447 -12.771 3.591 1.00 12.32 C ATOM 183 OD1 ASP A 13 9.328 -12.655 4.125 1.00 64.52 O ATOM 184 OD2 ASP A 13 10.716 -13.736 2.838 1.00 20.41 O ATOM 0 H ASP A 13 9.779 -10.078 4.422 1.00 3.32 H new ATOM 0 HA ASP A 13 11.426 -11.765 6.030 1.00 2.52 H new ATOM 0 HB2 ASP A 13 11.441 -10.929 3.071 1.00 61.33 H new ATOM 0 HB3 ASP A 13 12.511 -12.157 3.717 1.00 61.33 H new ATOM 189 N LYS A 14 12.658 -8.833 5.290 1.00 24.32 N ATOM 190 CA LYS A 14 13.814 -7.903 5.431 1.00 73.24 C ATOM 191 C LYS A 14 13.690 -7.071 6.739 1.00 61.51 C ATOM 192 O LYS A 14 14.375 -6.052 6.906 1.00 13.22 O ATOM 193 CB LYS A 14 13.896 -6.963 4.175 1.00 53.23 C ATOM 194 CG LYS A 14 15.326 -6.700 3.640 1.00 10.41 C ATOM 195 CD LYS A 14 15.945 -7.943 2.949 1.00 54.34 C ATOM 196 CE LYS A 14 15.128 -8.425 1.730 1.00 61.12 C ATOM 197 NZ LYS A 14 14.935 -7.356 0.710 1.00 71.34 N ATOM 0 H LYS A 14 11.785 -8.365 5.046 1.00 24.32 H new ATOM 0 HA LYS A 14 14.733 -8.486 5.492 1.00 73.24 H new ATOM 0 HB2 LYS A 14 13.301 -7.401 3.374 1.00 53.23 H new ATOM 0 HB3 LYS A 14 13.438 -6.006 4.426 1.00 53.23 H new ATOM 0 HG2 LYS A 14 15.298 -5.872 2.932 1.00 10.41 H new ATOM 0 HG3 LYS A 14 15.967 -6.391 4.466 1.00 10.41 H new ATOM 0 HD2 LYS A 14 16.960 -7.706 2.629 1.00 54.34 H new ATOM 0 HD3 LYS A 14 16.020 -8.754 3.673 1.00 54.34 H new ATOM 0 HE2 LYS A 14 15.635 -9.273 1.270 1.00 61.12 H new ATOM 0 HE3 LYS A 14 14.154 -8.780 2.067 1.00 61.12 H new ATOM 0 HZ1 LYS A 14 13.934 -7.073 0.689 1.00 71.34 H new ATOM 0 HZ2 LYS A 14 15.522 -6.533 0.954 1.00 71.34 H new ATOM 0 HZ3 LYS A 14 15.213 -7.715 -0.226 1.00 71.34 H new ATOM 211 N GLY A 15 12.824 -7.534 7.664 1.00 0.43 N ATOM 212 CA GLY A 15 12.547 -6.817 8.918 1.00 2.12 C ATOM 213 C GLY A 15 11.758 -5.514 8.719 1.00 74.40 C ATOM 214 O GLY A 15 11.975 -4.537 9.442 1.00 31.23 O ATOM 0 H GLY A 15 12.304 -8.406 7.562 1.00 0.43 H new ATOM 0 HA2 GLY A 15 11.988 -7.472 9.586 1.00 2.12 H new ATOM 0 HA3 GLY A 15 13.491 -6.589 9.413 1.00 2.12 H new ATOM 218 N GLY A 16 10.836 -5.513 7.732 1.00 54.21 N ATOM 219 CA GLY A 16 9.979 -4.349 7.437 1.00 20.14 C ATOM 220 C GLY A 16 10.659 -3.262 6.584 1.00 34.44 C ATOM 221 O GLY A 16 10.333 -2.073 6.708 1.00 44.33 O ATOM 0 H GLY A 16 10.667 -6.313 7.123 1.00 54.21 H new ATOM 0 HA2 GLY A 16 9.084 -4.693 6.919 1.00 20.14 H new ATOM 0 HA3 GLY A 16 9.653 -3.905 8.377 1.00 20.14 H new ATOM 225 N ALA A 17 11.601 -3.672 5.706 1.00 4.23 N ATOM 226 CA ALA A 17 12.330 -2.748 4.790 1.00 23.20 C ATOM 227 C ALA A 17 11.709 -2.749 3.368 1.00 0.11 C ATOM 228 O ALA A 17 11.130 -3.745 2.950 1.00 12.24 O ATOM 229 CB ALA A 17 13.815 -3.128 4.746 1.00 62.00 C ATOM 0 H ALA A 17 11.881 -4.648 5.608 1.00 4.23 H new ATOM 0 HA ALA A 17 12.237 -1.733 5.177 1.00 23.20 H new ATOM 0 HB1 ALA A 17 14.344 -2.451 4.076 1.00 62.00 H new ATOM 0 HB2 ALA A 17 14.240 -3.053 5.747 1.00 62.00 H new ATOM 0 HB3 ALA A 17 13.918 -4.151 4.384 1.00 62.00 H new ATOM 235 N GLN A 18 11.907 -1.644 2.620 1.00 21.24 N ATOM 236 CA GLN A 18 11.128 -1.322 1.384 1.00 44.24 C ATOM 237 C GLN A 18 11.360 -2.285 0.168 1.00 41.32 C ATOM 238 O GLN A 18 12.487 -2.694 -0.129 1.00 12.10 O ATOM 239 CB GLN A 18 11.431 0.144 0.957 1.00 63.41 C ATOM 240 CG GLN A 18 10.637 0.643 -0.275 1.00 0.34 C ATOM 241 CD GLN A 18 10.962 2.085 -0.671 1.00 42.21 C ATOM 242 OE1 GLN A 18 11.268 2.925 0.170 1.00 10.32 O ATOM 243 NE2 GLN A 18 10.899 2.381 -1.948 1.00 5.54 N ATOM 0 H GLN A 18 12.611 -0.942 2.848 1.00 21.24 H new ATOM 0 HA GLN A 18 10.081 -1.458 1.655 1.00 44.24 H new ATOM 0 HB2 GLN A 18 11.219 0.803 1.799 1.00 63.41 H new ATOM 0 HB3 GLN A 18 12.496 0.232 0.744 1.00 63.41 H new ATOM 0 HG2 GLN A 18 10.845 -0.013 -1.121 1.00 0.34 H new ATOM 0 HG3 GLN A 18 9.570 0.564 -0.065 1.00 0.34 H new ATOM 0 HE21 GLN A 18 10.642 1.663 -2.626 1.00 5.54 H new ATOM 0 HE22 GLN A 18 11.107 3.329 -2.263 1.00 5.54 H new ATOM 252 N VAL A 19 10.247 -2.621 -0.524 1.00 65.33 N ATOM 253 CA VAL A 19 10.245 -3.288 -1.852 1.00 71.32 C ATOM 254 C VAL A 19 9.894 -2.255 -2.959 1.00 21.32 C ATOM 255 O VAL A 19 8.913 -1.513 -2.832 1.00 33.51 O ATOM 256 CB VAL A 19 9.189 -4.463 -1.916 1.00 20.05 C ATOM 257 CG1 VAL A 19 9.191 -5.185 -3.293 1.00 31.20 C ATOM 258 CG2 VAL A 19 9.397 -5.468 -0.772 1.00 30.42 C ATOM 0 H VAL A 19 9.308 -2.434 -0.172 1.00 65.33 H new ATOM 0 HA VAL A 19 11.241 -3.701 -2.009 1.00 71.32 H new ATOM 0 HB VAL A 19 8.207 -4.005 -1.793 1.00 20.05 H new ATOM 0 HG11 VAL A 19 8.449 -5.983 -3.286 1.00 31.20 H new ATOM 0 HG12 VAL A 19 8.948 -4.470 -4.079 1.00 31.20 H new ATOM 0 HG13 VAL A 19 10.178 -5.608 -3.480 1.00 31.20 H new ATOM 0 HG21 VAL A 19 8.654 -6.262 -0.846 1.00 30.42 H new ATOM 0 HG22 VAL A 19 10.396 -5.898 -0.842 1.00 30.42 H new ATOM 0 HG23 VAL A 19 9.288 -4.958 0.185 1.00 30.42 H new ATOM 268 N GLY A 20 10.710 -2.207 -4.024 1.00 61.44 N ATOM 269 CA GLY A 20 10.391 -1.427 -5.229 1.00 41.52 C ATOM 270 C GLY A 20 10.569 0.089 -5.063 1.00 12.03 C ATOM 271 O GLY A 20 11.699 0.576 -4.996 1.00 15.33 O ATOM 0 H GLY A 20 11.600 -2.702 -4.074 1.00 61.44 H new ATOM 0 HA2 GLY A 20 11.025 -1.768 -6.047 1.00 41.52 H new ATOM 0 HA3 GLY A 20 9.360 -1.631 -5.518 1.00 41.52 H new ATOM 275 N ASP A 21 9.452 0.834 -4.962 1.00 22.54 N ATOM 276 CA ASP A 21 9.468 2.317 -4.929 1.00 32.41 C ATOM 277 C ASP A 21 8.220 2.879 -4.197 1.00 11.01 C ATOM 278 O ASP A 21 7.170 2.229 -4.143 1.00 34.25 O ATOM 279 CB ASP A 21 9.569 2.855 -6.385 1.00 73.42 C ATOM 280 CG ASP A 21 9.619 4.390 -6.487 1.00 52.14 C ATOM 281 OD1 ASP A 21 10.605 4.991 -6.026 1.00 74.32 O ATOM 282 OD2 ASP A 21 8.666 4.998 -7.015 1.00 35.13 O ATOM 0 H ASP A 21 8.516 0.432 -4.901 1.00 22.54 H new ATOM 0 HA ASP A 21 10.337 2.655 -4.365 1.00 32.41 H new ATOM 0 HB2 ASP A 21 10.463 2.441 -6.852 1.00 73.42 H new ATOM 0 HB3 ASP A 21 8.714 2.492 -6.955 1.00 73.42 H new ATOM 287 N ILE A 22 8.361 4.093 -3.626 1.00 73.51 N ATOM 288 CA ILE A 22 7.268 4.798 -2.915 1.00 52.34 C ATOM 289 C ILE A 22 6.324 5.510 -3.924 1.00 2.23 C ATOM 290 O ILE A 22 6.778 6.128 -4.885 1.00 4.30 O ATOM 291 CB ILE A 22 7.842 5.854 -1.888 1.00 53.11 C ATOM 292 CG1 ILE A 22 8.845 5.173 -0.901 1.00 52.35 C ATOM 293 CG2 ILE A 22 6.701 6.568 -1.111 1.00 21.44 C ATOM 294 CD1 ILE A 22 9.555 6.121 0.057 1.00 35.52 C ATOM 0 H ILE A 22 9.237 4.615 -3.644 1.00 73.51 H new ATOM 0 HA ILE A 22 6.700 4.049 -2.363 1.00 52.34 H new ATOM 0 HB ILE A 22 8.379 6.614 -2.456 1.00 53.11 H new ATOM 0 HG12 ILE A 22 8.306 4.428 -0.316 1.00 52.35 H new ATOM 0 HG13 ILE A 22 9.597 4.639 -1.483 1.00 52.35 H new ATOM 0 HG21 ILE A 22 7.130 7.287 -0.414 1.00 21.44 H new ATOM 0 HG22 ILE A 22 6.052 7.088 -1.815 1.00 21.44 H new ATOM 0 HG23 ILE A 22 6.120 5.830 -0.559 1.00 21.44 H new ATOM 0 HD11 ILE A 22 10.228 5.553 0.699 1.00 35.52 H new ATOM 0 HD12 ILE A 22 10.128 6.852 -0.513 1.00 35.52 H new ATOM 0 HD13 ILE A 22 8.817 6.637 0.671 1.00 35.52 H new ATOM 306 N VAL A 23 5.012 5.402 -3.682 1.00 72.05 N ATOM 307 CA VAL A 23 3.959 6.094 -4.463 1.00 14.02 C ATOM 308 C VAL A 23 3.389 7.264 -3.618 1.00 34.20 C ATOM 309 O VAL A 23 3.345 7.172 -2.392 1.00 10.41 O ATOM 310 CB VAL A 23 2.799 5.086 -4.833 1.00 14.43 C ATOM 311 CG1 VAL A 23 1.733 5.727 -5.756 1.00 21.12 C ATOM 312 CG2 VAL A 23 3.367 3.785 -5.451 1.00 62.22 C ATOM 0 H VAL A 23 4.638 4.825 -2.929 1.00 72.05 H new ATOM 0 HA VAL A 23 4.390 6.481 -5.386 1.00 14.02 H new ATOM 0 HB VAL A 23 2.294 4.828 -3.902 1.00 14.43 H new ATOM 0 HG11 VAL A 23 0.958 4.994 -5.981 1.00 21.12 H new ATOM 0 HG12 VAL A 23 1.286 6.585 -5.254 1.00 21.12 H new ATOM 0 HG13 VAL A 23 2.204 6.054 -6.683 1.00 21.12 H new ATOM 0 HG21 VAL A 23 2.547 3.110 -5.696 1.00 62.22 H new ATOM 0 HG22 VAL A 23 3.922 4.025 -6.358 1.00 62.22 H new ATOM 0 HG23 VAL A 23 4.033 3.303 -4.735 1.00 62.22 H new ATOM 322 N THR A 24 2.968 8.369 -4.259 1.00 20.33 N ATOM 323 CA THR A 24 2.317 9.507 -3.549 1.00 51.30 C ATOM 324 C THR A 24 1.059 9.959 -4.307 1.00 33.23 C ATOM 325 O THR A 24 1.136 10.342 -5.482 1.00 73.22 O ATOM 326 CB THR A 24 3.276 10.739 -3.388 1.00 62.44 C ATOM 327 OG1 THR A 24 4.521 10.322 -2.800 1.00 1.23 O ATOM 328 CG2 THR A 24 2.660 11.852 -2.507 1.00 3.31 C ATOM 0 H THR A 24 3.062 8.507 -5.265 1.00 20.33 H new ATOM 0 HA THR A 24 2.054 9.145 -2.555 1.00 51.30 H new ATOM 0 HB THR A 24 3.440 11.144 -4.386 1.00 62.44 H new ATOM 0 HG1 THR A 24 5.114 11.097 -2.705 1.00 1.23 H new ATOM 0 HG21 THR A 24 3.362 12.682 -2.426 1.00 3.31 H new ATOM 0 HG22 THR A 24 1.733 12.203 -2.960 1.00 3.31 H new ATOM 0 HG23 THR A 24 2.451 11.456 -1.513 1.00 3.31 H new ATOM 336 N VAL A 25 -0.099 9.907 -3.635 1.00 72.51 N ATOM 337 CA VAL A 25 -1.375 10.411 -4.182 1.00 0.33 C ATOM 338 C VAL A 25 -1.828 11.679 -3.414 1.00 34.30 C ATOM 339 O VAL A 25 -1.628 11.775 -2.205 1.00 43.11 O ATOM 340 CB VAL A 25 -2.499 9.295 -4.145 1.00 2.41 C ATOM 341 CG1 VAL A 25 -2.173 8.136 -5.121 1.00 34.32 C ATOM 342 CG2 VAL A 25 -2.725 8.751 -2.711 1.00 10.44 C ATOM 0 H VAL A 25 -0.182 9.515 -2.697 1.00 72.51 H new ATOM 0 HA VAL A 25 -1.213 10.678 -5.226 1.00 0.33 H new ATOM 0 HB VAL A 25 -3.426 9.767 -4.471 1.00 2.41 H new ATOM 0 HG11 VAL A 25 -2.963 7.386 -5.072 1.00 34.32 H new ATOM 0 HG12 VAL A 25 -2.103 8.525 -6.137 1.00 34.32 H new ATOM 0 HG13 VAL A 25 -1.223 7.681 -4.841 1.00 34.32 H new ATOM 0 HG21 VAL A 25 -3.503 7.988 -2.730 1.00 10.44 H new ATOM 0 HG22 VAL A 25 -1.799 8.315 -2.337 1.00 10.44 H new ATOM 0 HG23 VAL A 25 -3.032 9.567 -2.057 1.00 10.44 H new ATOM 352 N THR A 26 -2.411 12.659 -4.132 1.00 72.12 N ATOM 353 CA THR A 26 -2.908 13.936 -3.533 1.00 2.44 C ATOM 354 C THR A 26 -4.410 14.129 -3.813 1.00 34.31 C ATOM 355 O THR A 26 -4.878 13.882 -4.928 1.00 50.05 O ATOM 356 CB THR A 26 -2.133 15.190 -4.079 1.00 43.21 C ATOM 357 OG1 THR A 26 -2.101 15.164 -5.519 1.00 60.23 O ATOM 358 CG2 THR A 26 -0.698 15.268 -3.536 1.00 65.21 C ATOM 0 H THR A 26 -2.555 12.599 -5.140 1.00 72.12 H new ATOM 0 HA THR A 26 -2.735 13.856 -2.460 1.00 2.44 H new ATOM 0 HB THR A 26 -2.669 16.074 -3.734 1.00 43.21 H new ATOM 0 HG1 THR A 26 -1.618 15.950 -5.850 1.00 60.23 H new ATOM 0 HG21 THR A 26 -0.203 16.151 -3.941 1.00 65.21 H new ATOM 0 HG22 THR A 26 -0.724 15.334 -2.448 1.00 65.21 H new ATOM 0 HG23 THR A 26 -0.148 14.375 -3.833 1.00 65.21 H new ATOM 366 N GLY A 27 -5.149 14.584 -2.793 1.00 43.11 N ATOM 367 CA GLY A 27 -6.585 14.847 -2.921 1.00 63.42 C ATOM 368 C GLY A 27 -7.138 15.631 -1.735 1.00 5.10 C ATOM 369 O GLY A 27 -6.468 16.531 -1.217 1.00 51.02 O ATOM 0 H GLY A 27 -4.772 14.778 -1.865 1.00 43.11 H new ATOM 0 HA2 GLY A 27 -6.770 15.404 -3.840 1.00 63.42 H new ATOM 0 HA3 GLY A 27 -7.119 13.901 -3.009 1.00 63.42 H new ATOM 373 N LYS A 28 -8.368 15.306 -1.310 1.00 41.34 N ATOM 374 CA LYS A 28 -9.024 15.964 -0.158 1.00 70.42 C ATOM 375 C LYS A 28 -9.562 14.917 0.837 1.00 71.05 C ATOM 376 O LYS A 28 -10.016 13.846 0.430 1.00 13.32 O ATOM 377 CB LYS A 28 -10.164 16.902 -0.653 1.00 73.41 C ATOM 378 CG LYS A 28 -10.882 17.720 0.453 1.00 33.15 C ATOM 379 CD LYS A 28 -9.915 18.618 1.278 1.00 75.24 C ATOM 380 CE LYS A 28 -9.239 19.722 0.444 1.00 75.44 C ATOM 381 NZ LYS A 28 -10.219 20.696 -0.099 1.00 32.22 N ATOM 0 H LYS A 28 -8.938 14.583 -1.749 1.00 41.34 H new ATOM 0 HA LYS A 28 -8.284 16.569 0.365 1.00 70.42 H new ATOM 0 HB2 LYS A 28 -9.748 17.597 -1.383 1.00 73.41 H new ATOM 0 HB3 LYS A 28 -10.907 16.299 -1.175 1.00 73.41 H new ATOM 0 HG2 LYS A 28 -11.646 18.347 -0.006 1.00 33.15 H new ATOM 0 HG3 LYS A 28 -11.395 17.034 1.128 1.00 33.15 H new ATOM 0 HD2 LYS A 28 -10.469 19.079 2.096 1.00 75.24 H new ATOM 0 HD3 LYS A 28 -9.145 17.991 1.728 1.00 75.24 H new ATOM 0 HE2 LYS A 28 -8.512 20.248 1.062 1.00 75.44 H new ATOM 0 HE3 LYS A 28 -8.688 19.267 -0.379 1.00 75.44 H new ATOM 0 HZ1 LYS A 28 -9.714 21.448 -0.610 1.00 32.22 H new ATOM 0 HZ2 LYS A 28 -10.867 20.210 -0.751 1.00 32.22 H new ATOM 0 HZ3 LYS A 28 -10.763 21.114 0.683 1.00 32.22 H new ATOM 395 N THR A 29 -9.489 15.252 2.143 1.00 31.22 N ATOM 396 CA THR A 29 -9.973 14.398 3.260 1.00 32.25 C ATOM 397 C THR A 29 -11.450 13.938 3.123 1.00 52.22 C ATOM 398 O THR A 29 -11.803 12.835 3.563 1.00 60.42 O ATOM 399 CB THR A 29 -9.769 15.109 4.648 1.00 43.14 C ATOM 400 OG1 THR A 29 -10.242 14.264 5.719 1.00 10.14 O ATOM 401 CG2 THR A 29 -10.461 16.489 4.725 1.00 11.44 C ATOM 0 H THR A 29 -9.088 16.134 2.460 1.00 31.22 H new ATOM 0 HA THR A 29 -9.361 13.497 3.207 1.00 32.25 H new ATOM 0 HB THR A 29 -8.698 15.280 4.756 1.00 43.14 H new ATOM 0 HG1 THR A 29 -9.861 13.367 5.620 1.00 10.14 H new ATOM 0 HG21 THR A 29 -10.285 16.930 5.706 1.00 11.44 H new ATOM 0 HG22 THR A 29 -10.054 17.144 3.954 1.00 11.44 H new ATOM 0 HG23 THR A 29 -11.533 16.368 4.569 1.00 11.44 H new ATOM 409 N ASP A 30 -12.302 14.797 2.526 1.00 74.33 N ATOM 410 CA ASP A 30 -13.728 14.489 2.275 1.00 0.32 C ATOM 411 C ASP A 30 -13.903 13.374 1.205 1.00 71.30 C ATOM 412 O ASP A 30 -14.854 12.585 1.263 1.00 72.30 O ATOM 413 CB ASP A 30 -14.457 15.790 1.848 1.00 72.42 C ATOM 414 CG ASP A 30 -15.954 15.589 1.552 1.00 20.40 C ATOM 415 OD1 ASP A 30 -16.740 15.428 2.508 1.00 32.52 O ATOM 416 OD2 ASP A 30 -16.346 15.583 0.362 1.00 35.34 O ATOM 0 H ASP A 30 -12.022 15.724 2.204 1.00 74.33 H new ATOM 0 HA ASP A 30 -14.170 14.107 3.195 1.00 0.32 H new ATOM 0 HB2 ASP A 30 -14.348 16.533 2.638 1.00 72.42 H new ATOM 0 HB3 ASP A 30 -13.971 16.194 0.960 1.00 72.42 H new ATOM 421 N ASP A 31 -12.969 13.315 0.243 1.00 51.42 N ATOM 422 CA ASP A 31 -13.007 12.342 -0.872 1.00 1.15 C ATOM 423 C ASP A 31 -12.094 11.124 -0.599 1.00 44.01 C ATOM 424 O ASP A 31 -11.203 11.168 0.262 1.00 24.21 O ATOM 425 CB ASP A 31 -12.581 13.039 -2.184 1.00 1.02 C ATOM 426 CG ASP A 31 -13.411 14.297 -2.472 1.00 22.24 C ATOM 427 OD1 ASP A 31 -14.570 14.166 -2.922 1.00 63.42 O ATOM 428 OD2 ASP A 31 -12.907 15.417 -2.249 1.00 1.30 O ATOM 0 H ASP A 31 -12.163 13.939 0.212 1.00 51.42 H new ATOM 0 HA ASP A 31 -14.029 11.974 -0.965 1.00 1.15 H new ATOM 0 HB2 ASP A 31 -11.526 13.308 -2.124 1.00 1.02 H new ATOM 0 HB3 ASP A 31 -12.685 12.340 -3.014 1.00 1.02 H new ATOM 433 N SER A 32 -12.324 10.037 -1.359 1.00 52.53 N ATOM 434 CA SER A 32 -11.498 8.810 -1.291 1.00 3.34 C ATOM 435 C SER A 32 -11.103 8.323 -2.703 1.00 15.11 C ATOM 436 O SER A 32 -11.781 8.600 -3.702 1.00 23.41 O ATOM 437 CB SER A 32 -12.240 7.684 -0.528 1.00 22.23 C ATOM 438 OG SER A 32 -13.413 7.257 -1.203 1.00 2.10 O ATOM 0 H SER A 32 -13.084 9.981 -2.036 1.00 52.53 H new ATOM 0 HA SER A 32 -10.587 9.059 -0.746 1.00 3.34 H new ATOM 0 HB2 SER A 32 -11.570 6.835 -0.397 1.00 22.23 H new ATOM 0 HB3 SER A 32 -12.505 8.037 0.468 1.00 22.23 H new ATOM 0 HG SER A 32 -13.847 6.546 -0.687 1.00 2.10 H new ATOM 444 N THR A 33 -9.996 7.586 -2.747 1.00 45.53 N ATOM 445 CA THR A 33 -9.421 6.988 -3.981 1.00 71.32 C ATOM 446 C THR A 33 -9.081 5.501 -3.737 1.00 31.13 C ATOM 447 O THR A 33 -9.007 5.067 -2.589 1.00 4.40 O ATOM 448 CB THR A 33 -8.138 7.764 -4.453 1.00 10.33 C ATOM 449 OG1 THR A 33 -7.583 7.149 -5.628 1.00 40.30 O ATOM 450 CG2 THR A 33 -7.050 7.835 -3.362 1.00 63.41 C ATOM 0 H THR A 33 -9.449 7.374 -1.912 1.00 45.53 H new ATOM 0 HA THR A 33 -10.168 7.065 -4.771 1.00 71.32 H new ATOM 0 HB THR A 33 -8.458 8.782 -4.674 1.00 10.33 H new ATOM 0 HG1 THR A 33 -6.786 7.644 -5.911 1.00 40.30 H new ATOM 0 HG21 THR A 33 -6.188 8.382 -3.743 1.00 63.41 H new ATOM 0 HG22 THR A 33 -7.446 8.348 -2.486 1.00 63.41 H new ATOM 0 HG23 THR A 33 -6.746 6.826 -3.085 1.00 63.41 H new ATOM 458 N THR A 34 -8.903 4.714 -4.811 1.00 5.43 N ATOM 459 CA THR A 34 -8.531 3.274 -4.694 1.00 70.10 C ATOM 460 C THR A 34 -7.232 2.965 -5.480 1.00 4.44 C ATOM 461 O THR A 34 -7.121 3.275 -6.672 1.00 42.22 O ATOM 462 CB THR A 34 -9.694 2.339 -5.179 1.00 72.33 C ATOM 463 OG1 THR A 34 -10.914 2.680 -4.488 1.00 43.24 O ATOM 464 CG2 THR A 34 -9.388 0.844 -4.932 1.00 61.03 C ATOM 0 H THR A 34 -9.008 5.039 -5.772 1.00 5.43 H new ATOM 0 HA THR A 34 -8.351 3.073 -3.638 1.00 70.10 H new ATOM 0 HB THR A 34 -9.800 2.492 -6.253 1.00 72.33 H new ATOM 0 HG1 THR A 34 -11.638 2.095 -4.795 1.00 43.24 H new ATOM 0 HG21 THR A 34 -10.223 0.239 -5.285 1.00 61.03 H new ATOM 0 HG22 THR A 34 -8.483 0.564 -5.472 1.00 61.03 H new ATOM 0 HG23 THR A 34 -9.242 0.674 -3.865 1.00 61.03 H new ATOM 472 N TYR A 35 -6.262 2.341 -4.791 1.00 64.43 N ATOM 473 CA TYR A 35 -4.956 1.950 -5.359 1.00 4.32 C ATOM 474 C TYR A 35 -4.841 0.407 -5.400 1.00 72.24 C ATOM 475 O TYR A 35 -5.105 -0.258 -4.398 1.00 23.33 O ATOM 476 CB TYR A 35 -3.820 2.568 -4.490 1.00 74.22 C ATOM 477 CG TYR A 35 -2.390 2.165 -4.905 1.00 31.35 C ATOM 478 CD1 TYR A 35 -1.734 2.802 -5.961 1.00 14.44 C ATOM 479 CD2 TYR A 35 -1.708 1.131 -4.249 1.00 72.32 C ATOM 480 CE1 TYR A 35 -0.461 2.428 -6.344 1.00 73.31 C ATOM 481 CE2 TYR A 35 -0.440 0.753 -4.634 1.00 32.54 C ATOM 482 CZ TYR A 35 0.181 1.403 -5.678 1.00 73.14 C ATOM 483 OH TYR A 35 1.446 1.015 -6.072 1.00 4.01 O ATOM 0 H TYR A 35 -6.363 2.089 -3.808 1.00 64.43 H new ATOM 0 HA TYR A 35 -4.866 2.324 -6.379 1.00 4.32 H new ATOM 0 HB2 TYR A 35 -3.902 3.654 -4.531 1.00 74.22 H new ATOM 0 HB3 TYR A 35 -3.977 2.275 -3.452 1.00 74.22 H new ATOM 0 HD1 TYR A 35 -2.232 3.602 -6.488 1.00 14.44 H new ATOM 0 HD2 TYR A 35 -2.186 0.621 -3.426 1.00 72.32 H new ATOM 0 HE1 TYR A 35 0.030 2.935 -7.161 1.00 73.31 H new ATOM 0 HE2 TYR A 35 0.065 -0.050 -4.119 1.00 32.54 H new ATOM 0 HH TYR A 35 1.640 1.384 -6.959 1.00 4.01 H new ATOM 493 N THR A 36 -4.441 -0.164 -6.555 1.00 51.14 N ATOM 494 CA THR A 36 -4.215 -1.628 -6.676 1.00 53.21 C ATOM 495 C THR A 36 -2.753 -2.004 -6.332 1.00 75.44 C ATOM 496 O THR A 36 -1.811 -1.291 -6.689 1.00 65.43 O ATOM 497 CB THR A 36 -4.592 -2.192 -8.093 1.00 51.53 C ATOM 498 OG1 THR A 36 -4.407 -3.625 -8.128 1.00 45.30 O ATOM 499 CG2 THR A 36 -3.784 -1.548 -9.239 1.00 4.33 C ATOM 0 H THR A 36 -4.268 0.358 -7.414 1.00 51.14 H new ATOM 0 HA THR A 36 -4.884 -2.092 -5.951 1.00 53.21 H new ATOM 0 HB THR A 36 -5.640 -1.939 -8.252 1.00 51.53 H new ATOM 0 HG1 THR A 36 -4.647 -3.964 -9.016 1.00 45.30 H new ATOM 0 HG21 THR A 36 -4.093 -1.982 -10.190 1.00 4.33 H new ATOM 0 HG22 THR A 36 -3.967 -0.473 -9.254 1.00 4.33 H new ATOM 0 HG23 THR A 36 -2.721 -1.733 -9.084 1.00 4.33 H new ATOM 507 N VAL A 37 -2.591 -3.143 -5.640 1.00 60.13 N ATOM 508 CA VAL A 37 -1.285 -3.696 -5.253 1.00 31.35 C ATOM 509 C VAL A 37 -0.624 -4.377 -6.472 1.00 4.15 C ATOM 510 O VAL A 37 -1.273 -5.155 -7.189 1.00 73.12 O ATOM 511 CB VAL A 37 -1.427 -4.737 -4.074 1.00 34.34 C ATOM 512 CG1 VAL A 37 -0.054 -5.300 -3.639 1.00 60.32 C ATOM 513 CG2 VAL A 37 -2.181 -4.127 -2.865 1.00 52.32 C ATOM 0 H VAL A 37 -3.377 -3.714 -5.329 1.00 60.13 H new ATOM 0 HA VAL A 37 -0.660 -2.874 -4.906 1.00 31.35 H new ATOM 0 HB VAL A 37 -2.020 -5.569 -4.454 1.00 34.34 H new ATOM 0 HG11 VAL A 37 -0.194 -6.012 -2.826 1.00 60.32 H new ATOM 0 HG12 VAL A 37 0.418 -5.802 -4.484 1.00 60.32 H new ATOM 0 HG13 VAL A 37 0.583 -4.483 -3.300 1.00 60.32 H new ATOM 0 HG21 VAL A 37 -2.260 -4.871 -2.073 1.00 52.32 H new ATOM 0 HG22 VAL A 37 -1.634 -3.260 -2.495 1.00 52.32 H new ATOM 0 HG23 VAL A 37 -3.180 -3.820 -3.176 1.00 52.32 H new ATOM 523 N THR A 38 0.659 -4.070 -6.695 1.00 74.35 N ATOM 524 CA THR A 38 1.461 -4.643 -7.789 1.00 4.45 C ATOM 525 C THR A 38 2.401 -5.725 -7.216 1.00 12.53 C ATOM 526 O THR A 38 3.359 -5.407 -6.499 1.00 52.01 O ATOM 527 CB THR A 38 2.287 -3.530 -8.529 1.00 13.14 C ATOM 528 OG1 THR A 38 3.206 -2.878 -7.623 1.00 72.11 O ATOM 529 CG2 THR A 38 1.368 -2.461 -9.158 1.00 11.31 C ATOM 0 H THR A 38 1.178 -3.410 -6.116 1.00 74.35 H new ATOM 0 HA THR A 38 0.790 -5.094 -8.520 1.00 4.45 H new ATOM 0 HB THR A 38 2.844 -4.030 -9.321 1.00 13.14 H new ATOM 0 HG1 THR A 38 2.705 -2.473 -6.885 1.00 72.11 H new ATOM 0 HG21 THR A 38 1.976 -1.709 -9.661 1.00 11.31 H new ATOM 0 HG22 THR A 38 0.703 -2.933 -9.882 1.00 11.31 H new ATOM 0 HG23 THR A 38 0.775 -1.986 -8.377 1.00 11.31 H new ATOM 537 N ILE A 39 2.084 -7.005 -7.486 1.00 51.41 N ATOM 538 CA ILE A 39 2.879 -8.162 -7.012 1.00 50.04 C ATOM 539 C ILE A 39 3.910 -8.586 -8.091 1.00 41.50 C ATOM 540 O ILE A 39 3.515 -9.081 -9.156 1.00 74.32 O ATOM 541 CB ILE A 39 1.947 -9.388 -6.645 1.00 63.00 C ATOM 542 CG1 ILE A 39 0.903 -8.982 -5.556 1.00 2.01 C ATOM 543 CG2 ILE A 39 2.773 -10.625 -6.183 1.00 52.33 C ATOM 544 CD1 ILE A 39 1.507 -8.531 -4.237 1.00 32.22 C ATOM 0 H ILE A 39 1.269 -7.270 -8.039 1.00 51.41 H new ATOM 0 HA ILE A 39 3.409 -7.855 -6.110 1.00 50.04 H new ATOM 0 HB ILE A 39 1.411 -9.673 -7.550 1.00 63.00 H new ATOM 0 HG12 ILE A 39 0.281 -8.178 -5.950 1.00 2.01 H new ATOM 0 HG13 ILE A 39 0.245 -9.831 -5.368 1.00 2.01 H new ATOM 0 HG21 ILE A 39 2.096 -11.444 -5.940 1.00 52.33 H new ATOM 0 HG22 ILE A 39 3.445 -10.934 -6.984 1.00 52.33 H new ATOM 0 HG23 ILE A 39 3.357 -10.364 -5.301 1.00 52.33 H new ATOM 0 HD11 ILE A 39 0.709 -8.269 -3.542 1.00 32.22 H new ATOM 0 HD12 ILE A 39 2.105 -9.339 -3.815 1.00 32.22 H new ATOM 0 HD13 ILE A 39 2.141 -7.661 -4.406 1.00 32.22 H new ATOM 556 N PRO A 40 5.244 -8.355 -7.865 1.00 1.44 N ATOM 557 CA PRO A 40 6.297 -8.832 -8.795 1.00 22.03 C ATOM 558 C PRO A 40 6.584 -10.353 -8.643 1.00 21.12 C ATOM 559 O PRO A 40 6.498 -10.904 -7.539 1.00 52.41 O ATOM 560 CB PRO A 40 7.520 -7.957 -8.411 1.00 13.05 C ATOM 561 CG PRO A 40 7.326 -7.647 -6.951 1.00 4.24 C ATOM 562 CD PRO A 40 5.824 -7.593 -6.719 1.00 64.12 C ATOM 0 HA PRO A 40 6.014 -8.732 -9.843 1.00 22.03 H new ATOM 0 HB2 PRO A 40 8.456 -8.489 -8.582 1.00 13.05 H new ATOM 0 HB3 PRO A 40 7.558 -7.046 -9.008 1.00 13.05 H new ATOM 0 HG2 PRO A 40 7.788 -8.412 -6.327 1.00 4.24 H new ATOM 0 HG3 PRO A 40 7.794 -6.698 -6.690 1.00 4.24 H new ATOM 0 HD2 PRO A 40 5.553 -8.044 -5.764 1.00 64.12 H new ATOM 0 HD3 PRO A 40 5.461 -6.565 -6.701 1.00 64.12 H new ATOM 570 N ASP A 41 6.907 -11.013 -9.774 1.00 71.51 N ATOM 571 CA ASP A 41 7.258 -12.457 -9.814 1.00 13.13 C ATOM 572 C ASP A 41 8.518 -12.744 -8.951 1.00 11.33 C ATOM 573 O ASP A 41 9.606 -12.239 -9.246 1.00 33.42 O ATOM 574 CB ASP A 41 7.497 -12.903 -11.281 1.00 61.22 C ATOM 575 CG ASP A 41 6.275 -12.684 -12.188 1.00 51.40 C ATOM 576 OD1 ASP A 41 6.023 -11.524 -12.588 1.00 11.20 O ATOM 577 OD2 ASP A 41 5.567 -13.660 -12.507 1.00 55.23 O ATOM 0 H ASP A 41 6.933 -10.564 -10.689 1.00 71.51 H new ATOM 0 HA ASP A 41 6.426 -13.027 -9.400 1.00 13.13 H new ATOM 0 HB2 ASP A 41 8.346 -12.353 -11.687 1.00 61.22 H new ATOM 0 HB3 ASP A 41 7.766 -13.959 -11.293 1.00 61.22 H new ATOM 582 N GLY A 42 8.336 -13.537 -7.877 1.00 21.41 N ATOM 583 CA GLY A 42 9.395 -13.809 -6.881 1.00 74.45 C ATOM 584 C GLY A 42 9.004 -13.332 -5.477 1.00 43.40 C ATOM 585 O GLY A 42 9.559 -13.797 -4.476 1.00 53.13 O ATOM 0 H GLY A 42 7.454 -14.007 -7.674 1.00 21.41 H new ATOM 0 HA2 GLY A 42 9.601 -14.879 -6.855 1.00 74.45 H new ATOM 0 HA3 GLY A 42 10.316 -13.314 -7.188 1.00 74.45 H new ATOM 589 N TYR A 43 8.052 -12.379 -5.415 1.00 65.23 N ATOM 590 CA TYR A 43 7.422 -11.901 -4.157 1.00 64.54 C ATOM 591 C TYR A 43 5.956 -12.401 -4.090 1.00 71.13 C ATOM 592 O TYR A 43 5.350 -12.721 -5.119 1.00 21.50 O ATOM 593 CB TYR A 43 7.458 -10.347 -4.074 1.00 24.01 C ATOM 594 CG TYR A 43 8.872 -9.727 -4.012 1.00 65.12 C ATOM 595 CD1 TYR A 43 9.712 -9.703 -5.136 1.00 2.41 C ATOM 596 CD2 TYR A 43 9.365 -9.160 -2.832 1.00 72.01 C ATOM 597 CE1 TYR A 43 10.973 -9.143 -5.081 1.00 55.45 C ATOM 598 CE2 TYR A 43 10.625 -8.599 -2.779 1.00 64.14 C ATOM 599 CZ TYR A 43 11.425 -8.594 -3.902 1.00 31.55 C ATOM 600 OH TYR A 43 12.683 -8.036 -3.846 1.00 13.33 O ATOM 0 H TYR A 43 7.691 -11.910 -6.246 1.00 65.23 H new ATOM 0 HA TYR A 43 7.983 -12.300 -3.312 1.00 64.54 H new ATOM 0 HB2 TYR A 43 6.937 -9.940 -4.941 1.00 24.01 H new ATOM 0 HB3 TYR A 43 6.901 -10.033 -3.191 1.00 24.01 H new ATOM 0 HD1 TYR A 43 9.365 -10.132 -6.064 1.00 2.41 H new ATOM 0 HD2 TYR A 43 8.748 -9.161 -1.946 1.00 72.01 H new ATOM 0 HE1 TYR A 43 11.602 -9.136 -5.959 1.00 55.45 H new ATOM 0 HE2 TYR A 43 10.984 -8.164 -1.858 1.00 64.14 H new ATOM 0 HH TYR A 43 12.848 -7.692 -2.943 1.00 13.33 H new ATOM 610 N GLU A 44 5.392 -12.465 -2.874 1.00 31.24 N ATOM 611 CA GLU A 44 4.005 -12.943 -2.646 1.00 2.11 C ATOM 612 C GLU A 44 3.324 -12.048 -1.574 1.00 34.35 C ATOM 613 O GLU A 44 3.973 -11.607 -0.622 1.00 73.03 O ATOM 614 CB GLU A 44 4.043 -14.456 -2.228 1.00 53.21 C ATOM 615 CG GLU A 44 2.904 -15.356 -2.775 1.00 73.23 C ATOM 616 CD GLU A 44 1.519 -15.101 -2.155 1.00 41.50 C ATOM 617 OE1 GLU A 44 1.179 -15.747 -1.135 1.00 71.52 O ATOM 618 OE2 GLU A 44 0.759 -14.267 -2.694 1.00 14.11 O ATOM 0 H GLU A 44 5.876 -12.190 -2.019 1.00 31.24 H new ATOM 0 HA GLU A 44 3.414 -12.868 -3.559 1.00 2.11 H new ATOM 0 HB2 GLU A 44 4.995 -14.876 -2.553 1.00 53.21 H new ATOM 0 HB3 GLU A 44 4.027 -14.509 -1.139 1.00 53.21 H new ATOM 0 HG2 GLU A 44 2.835 -15.213 -3.853 1.00 73.23 H new ATOM 0 HG3 GLU A 44 3.174 -16.399 -2.608 1.00 73.23 H new ATOM 625 N TYR A 45 2.019 -11.786 -1.745 1.00 3.33 N ATOM 626 CA TYR A 45 1.249 -10.844 -0.896 1.00 14.31 C ATOM 627 C TYR A 45 1.002 -11.386 0.542 1.00 23.43 C ATOM 628 O TYR A 45 0.571 -12.527 0.714 1.00 45.44 O ATOM 629 CB TYR A 45 -0.105 -10.532 -1.595 1.00 62.12 C ATOM 630 CG TYR A 45 -0.957 -9.441 -0.909 1.00 53.43 C ATOM 631 CD1 TYR A 45 -0.615 -8.086 -1.015 1.00 5.15 C ATOM 632 CD2 TYR A 45 -2.101 -9.764 -0.165 1.00 51.14 C ATOM 633 CE1 TYR A 45 -1.368 -7.108 -0.394 1.00 23.41 C ATOM 634 CE2 TYR A 45 -2.851 -8.784 0.455 1.00 72.44 C ATOM 635 CZ TYR A 45 -2.486 -7.460 0.329 1.00 60.11 C ATOM 636 OH TYR A 45 -3.242 -6.482 0.939 1.00 22.15 O ATOM 0 H TYR A 45 1.459 -12.221 -2.478 1.00 3.33 H new ATOM 0 HA TYR A 45 1.841 -9.936 -0.783 1.00 14.31 H new ATOM 0 HB2 TYR A 45 0.095 -10.224 -2.621 1.00 62.12 H new ATOM 0 HB3 TYR A 45 -0.690 -11.450 -1.647 1.00 62.12 H new ATOM 0 HD1 TYR A 45 0.252 -7.801 -1.592 1.00 5.15 H new ATOM 0 HD2 TYR A 45 -2.401 -10.798 -0.075 1.00 51.14 H new ATOM 0 HE1 TYR A 45 -1.081 -6.070 -0.475 1.00 23.41 H new ATOM 0 HE2 TYR A 45 -3.720 -9.053 1.036 1.00 72.44 H new ATOM 0 HH TYR A 45 -3.897 -6.130 0.301 1.00 22.15 H new ATOM 646 N VAL A 46 1.283 -10.546 1.563 1.00 31.45 N ATOM 647 CA VAL A 46 0.936 -10.830 2.985 1.00 73.24 C ATOM 648 C VAL A 46 -0.330 -10.034 3.402 1.00 45.21 C ATOM 649 O VAL A 46 -1.365 -10.623 3.747 1.00 63.54 O ATOM 650 CB VAL A 46 2.143 -10.490 3.955 1.00 54.01 C ATOM 651 CG1 VAL A 46 1.755 -10.611 5.455 1.00 22.33 C ATOM 652 CG2 VAL A 46 3.367 -11.378 3.635 1.00 44.41 C ATOM 0 H VAL A 46 1.756 -9.652 1.431 1.00 31.45 H new ATOM 0 HA VAL A 46 0.728 -11.897 3.070 1.00 73.24 H new ATOM 0 HB VAL A 46 2.407 -9.447 3.779 1.00 54.01 H new ATOM 0 HG11 VAL A 46 2.618 -10.367 6.075 1.00 22.33 H new ATOM 0 HG12 VAL A 46 0.942 -9.920 5.677 1.00 22.33 H new ATOM 0 HG13 VAL A 46 1.433 -11.631 5.666 1.00 22.33 H new ATOM 0 HG21 VAL A 46 4.184 -11.129 4.312 1.00 44.41 H new ATOM 0 HG22 VAL A 46 3.098 -12.427 3.761 1.00 44.41 H new ATOM 0 HG23 VAL A 46 3.683 -11.205 2.606 1.00 44.41 H new ATOM 662 N GLY A 47 -0.246 -8.692 3.333 1.00 43.12 N ATOM 663 CA GLY A 47 -1.326 -7.816 3.824 1.00 64.22 C ATOM 664 C GLY A 47 -1.091 -6.337 3.520 1.00 61.13 C ATOM 665 O GLY A 47 -0.263 -5.995 2.672 1.00 42.15 O ATOM 0 H GLY A 47 0.554 -8.193 2.944 1.00 43.12 H new ATOM 0 HA2 GLY A 47 -2.269 -8.127 3.374 1.00 64.22 H new ATOM 0 HA3 GLY A 47 -1.428 -7.946 4.901 1.00 64.22 H new ATOM 669 N THR A 48 -1.853 -5.459 4.198 1.00 32.41 N ATOM 670 CA THR A 48 -1.739 -3.985 4.067 1.00 3.44 C ATOM 671 C THR A 48 -2.084 -3.290 5.409 1.00 4.23 C ATOM 672 O THR A 48 -3.014 -3.697 6.115 1.00 64.03 O ATOM 673 CB THR A 48 -2.661 -3.437 2.916 1.00 23.01 C ATOM 674 OG1 THR A 48 -2.168 -3.876 1.636 1.00 73.34 O ATOM 675 CG2 THR A 48 -2.778 -1.901 2.904 1.00 71.23 C ATOM 0 H THR A 48 -2.573 -5.750 4.859 1.00 32.41 H new ATOM 0 HA THR A 48 -0.705 -3.756 3.807 1.00 3.44 H new ATOM 0 HB THR A 48 -3.656 -3.838 3.109 1.00 23.01 H new ATOM 0 HG1 THR A 48 -2.556 -4.749 1.418 1.00 73.34 H new ATOM 0 HG21 THR A 48 -3.428 -1.592 2.085 1.00 71.23 H new ATOM 0 HG22 THR A 48 -3.199 -1.561 3.850 1.00 71.23 H new ATOM 0 HG23 THR A 48 -1.790 -1.462 2.768 1.00 71.23 H new ATOM 683 N ASP A 49 -1.330 -2.226 5.730 1.00 25.13 N ATOM 684 CA ASP A 49 -1.443 -1.460 6.993 1.00 21.32 C ATOM 685 C ASP A 49 -1.758 0.033 6.693 1.00 11.31 C ATOM 686 O ASP A 49 -1.400 0.544 5.629 1.00 24.33 O ATOM 687 CB ASP A 49 -0.107 -1.610 7.775 1.00 12.43 C ATOM 688 CG ASP A 49 -0.104 -0.906 9.144 1.00 41.11 C ATOM 689 OD1 ASP A 49 -0.709 -1.435 10.096 1.00 15.24 O ATOM 690 OD2 ASP A 49 0.501 0.183 9.272 1.00 54.21 O ATOM 0 H ASP A 49 -0.608 -1.862 5.109 1.00 25.13 H new ATOM 0 HA ASP A 49 -2.262 -1.847 7.599 1.00 21.32 H new ATOM 0 HB2 ASP A 49 0.100 -2.670 7.922 1.00 12.43 H new ATOM 0 HB3 ASP A 49 0.705 -1.208 7.169 1.00 12.43 H new ATOM 695 N GLY A 50 -2.452 0.710 7.627 1.00 70.43 N ATOM 696 CA GLY A 50 -2.760 2.149 7.505 1.00 22.23 C ATOM 697 C GLY A 50 -3.987 2.450 6.635 1.00 13.30 C ATOM 698 O GLY A 50 -5.025 2.888 7.143 1.00 13.41 O ATOM 0 H GLY A 50 -2.812 0.281 8.479 1.00 70.43 H new ATOM 0 HA2 GLY A 50 -2.923 2.561 8.501 1.00 22.23 H new ATOM 0 HA3 GLY A 50 -1.894 2.662 7.085 1.00 22.23 H new ATOM 702 N GLY A 51 -3.866 2.204 5.316 1.00 34.44 N ATOM 703 CA GLY A 51 -4.991 2.363 4.379 1.00 22.24 C ATOM 704 C GLY A 51 -5.991 1.200 4.469 1.00 20.11 C ATOM 705 O GLY A 51 -5.604 0.079 4.822 1.00 30.23 O ATOM 0 H GLY A 51 -2.999 1.894 4.877 1.00 34.44 H new ATOM 0 HA2 GLY A 51 -5.507 3.300 4.589 1.00 22.24 H new ATOM 0 HA3 GLY A 51 -4.607 2.432 3.361 1.00 22.24 H new ATOM 709 N VAL A 52 -7.263 1.454 4.117 1.00 73.34 N ATOM 710 CA VAL A 52 -8.354 0.463 4.291 1.00 45.43 C ATOM 711 C VAL A 52 -8.338 -0.562 3.127 1.00 52.11 C ATOM 712 O VAL A 52 -8.702 -0.235 1.995 1.00 35.42 O ATOM 713 CB VAL A 52 -9.766 1.162 4.400 1.00 60.13 C ATOM 714 CG1 VAL A 52 -10.890 0.130 4.688 1.00 53.14 C ATOM 715 CG2 VAL A 52 -9.745 2.276 5.479 1.00 23.22 C ATOM 0 H VAL A 52 -7.568 2.338 3.709 1.00 73.34 H new ATOM 0 HA VAL A 52 -8.180 -0.065 5.229 1.00 45.43 H new ATOM 0 HB VAL A 52 -9.984 1.623 3.437 1.00 60.13 H new ATOM 0 HG11 VAL A 52 -11.848 0.645 4.757 1.00 53.14 H new ATOM 0 HG12 VAL A 52 -10.928 -0.601 3.880 1.00 53.14 H new ATOM 0 HG13 VAL A 52 -10.684 -0.380 5.629 1.00 53.14 H new ATOM 0 HG21 VAL A 52 -10.727 2.744 5.538 1.00 23.22 H new ATOM 0 HG22 VAL A 52 -9.492 1.841 6.446 1.00 23.22 H new ATOM 0 HG23 VAL A 52 -9.001 3.026 5.213 1.00 23.22 H new ATOM 725 N VAL A 53 -7.904 -1.798 3.425 1.00 51.43 N ATOM 726 CA VAL A 53 -7.706 -2.859 2.412 1.00 72.15 C ATOM 727 C VAL A 53 -8.981 -3.730 2.236 1.00 13.43 C ATOM 728 O VAL A 53 -9.741 -3.941 3.193 1.00 43.32 O ATOM 729 CB VAL A 53 -6.457 -3.753 2.783 1.00 11.24 C ATOM 730 CG1 VAL A 53 -6.636 -4.481 4.137 1.00 3.13 C ATOM 731 CG2 VAL A 53 -6.104 -4.747 1.654 1.00 73.31 C ATOM 0 H VAL A 53 -7.679 -2.094 4.375 1.00 51.43 H new ATOM 0 HA VAL A 53 -7.512 -2.373 1.456 1.00 72.15 H new ATOM 0 HB VAL A 53 -5.614 -3.071 2.896 1.00 11.24 H new ATOM 0 HG11 VAL A 53 -5.751 -5.082 4.347 1.00 3.13 H new ATOM 0 HG12 VAL A 53 -6.772 -3.746 4.930 1.00 3.13 H new ATOM 0 HG13 VAL A 53 -7.511 -5.129 4.089 1.00 3.13 H new ATOM 0 HG21 VAL A 53 -5.240 -5.342 1.950 1.00 73.31 H new ATOM 0 HG22 VAL A 53 -6.953 -5.406 1.471 1.00 73.31 H new ATOM 0 HG23 VAL A 53 -5.870 -4.195 0.744 1.00 73.31 H new ATOM 741 N SER A 54 -9.210 -4.216 0.997 1.00 41.44 N ATOM 742 CA SER A 54 -10.361 -5.094 0.654 1.00 4.43 C ATOM 743 C SER A 54 -10.191 -6.532 1.205 1.00 71.11 C ATOM 744 O SER A 54 -9.124 -6.900 1.712 1.00 73.31 O ATOM 745 CB SER A 54 -10.555 -5.152 -0.882 1.00 63.40 C ATOM 746 OG SER A 54 -9.415 -5.700 -1.538 1.00 71.55 O ATOM 0 H SER A 54 -8.604 -4.013 0.202 1.00 41.44 H new ATOM 0 HA SER A 54 -11.242 -4.658 1.125 1.00 4.43 H new ATOM 0 HB2 SER A 54 -11.433 -5.754 -1.115 1.00 63.40 H new ATOM 0 HB3 SER A 54 -10.746 -4.149 -1.263 1.00 63.40 H new ATOM 0 HG SER A 54 -8.771 -4.986 -1.725 1.00 71.55 H new ATOM 752 N SER A 55 -11.263 -7.339 1.066 1.00 32.20 N ATOM 753 CA SER A 55 -11.294 -8.756 1.516 1.00 41.41 C ATOM 754 C SER A 55 -10.309 -9.642 0.714 1.00 31.11 C ATOM 755 O SER A 55 -9.749 -10.603 1.250 1.00 54.34 O ATOM 756 CB SER A 55 -12.729 -9.317 1.384 1.00 15.34 C ATOM 757 OG SER A 55 -12.839 -10.633 1.916 1.00 44.24 O ATOM 0 H SER A 55 -12.136 -7.031 0.638 1.00 32.20 H new ATOM 0 HA SER A 55 -10.982 -8.777 2.560 1.00 41.41 H new ATOM 0 HB2 SER A 55 -13.425 -8.657 1.902 1.00 15.34 H new ATOM 0 HB3 SER A 55 -13.020 -9.325 0.333 1.00 15.34 H new ATOM 0 HG SER A 55 -13.761 -10.951 1.815 1.00 44.24 H new ATOM 763 N ASP A 56 -10.129 -9.314 -0.580 1.00 72.01 N ATOM 764 CA ASP A 56 -9.207 -10.041 -1.489 1.00 54.43 C ATOM 765 C ASP A 56 -7.751 -9.512 -1.379 1.00 55.14 C ATOM 766 O ASP A 56 -6.805 -10.178 -1.813 1.00 1.12 O ATOM 767 CB ASP A 56 -9.715 -9.914 -2.946 1.00 50.31 C ATOM 768 CG ASP A 56 -11.167 -10.387 -3.091 1.00 20.54 C ATOM 769 OD1 ASP A 56 -12.087 -9.578 -2.852 1.00 42.11 O ATOM 770 OD2 ASP A 56 -11.402 -11.564 -3.422 1.00 63.30 O ATOM 0 H ASP A 56 -10.616 -8.539 -1.029 1.00 72.01 H new ATOM 0 HA ASP A 56 -9.194 -11.090 -1.192 1.00 54.43 H new ATOM 0 HB2 ASP A 56 -9.638 -8.875 -3.268 1.00 50.31 H new ATOM 0 HB3 ASP A 56 -9.075 -10.500 -3.606 1.00 50.31 H new ATOM 775 N GLY A 57 -7.593 -8.294 -0.816 1.00 32.25 N ATOM 776 CA GLY A 57 -6.271 -7.697 -0.559 1.00 72.43 C ATOM 777 C GLY A 57 -5.689 -6.871 -1.721 1.00 1.20 C ATOM 778 O GLY A 57 -4.817 -6.024 -1.496 1.00 11.51 O ATOM 0 H GLY A 57 -8.374 -7.704 -0.530 1.00 32.25 H new ATOM 0 HA2 GLY A 57 -6.344 -7.057 0.320 1.00 72.43 H new ATOM 0 HA3 GLY A 57 -5.570 -8.496 -0.315 1.00 72.43 H new ATOM 782 N LYS A 58 -6.174 -7.107 -2.957 1.00 64.30 N ATOM 783 CA LYS A 58 -5.627 -6.468 -4.183 1.00 43.41 C ATOM 784 C LYS A 58 -5.890 -4.940 -4.212 1.00 1.43 C ATOM 785 O LYS A 58 -5.026 -4.161 -4.570 1.00 2.01 O ATOM 786 CB LYS A 58 -6.247 -7.133 -5.442 1.00 25.43 C ATOM 787 CG LYS A 58 -5.670 -6.647 -6.796 1.00 4.21 C ATOM 788 CD LYS A 58 -6.474 -7.153 -8.016 1.00 72.42 C ATOM 789 CE LYS A 58 -6.579 -8.686 -8.079 1.00 44.21 C ATOM 790 NZ LYS A 58 -5.249 -9.350 -8.156 1.00 60.31 N ATOM 0 H LYS A 58 -6.952 -7.742 -3.139 1.00 64.30 H new ATOM 0 HA LYS A 58 -4.547 -6.615 -4.177 1.00 43.41 H new ATOM 0 HB2 LYS A 58 -6.105 -8.211 -5.371 1.00 25.43 H new ATOM 0 HB3 LYS A 58 -7.322 -6.952 -5.437 1.00 25.43 H new ATOM 0 HG2 LYS A 58 -5.653 -5.557 -6.806 1.00 4.21 H new ATOM 0 HG3 LYS A 58 -4.637 -6.983 -6.885 1.00 4.21 H new ATOM 0 HD2 LYS A 58 -7.477 -6.728 -7.984 1.00 72.42 H new ATOM 0 HD3 LYS A 58 -6.003 -6.790 -8.929 1.00 72.42 H new ATOM 0 HE2 LYS A 58 -7.110 -9.046 -7.198 1.00 44.21 H new ATOM 0 HE3 LYS A 58 -7.173 -8.970 -8.948 1.00 44.21 H new ATOM 0 HZ1 LYS A 58 -5.378 -10.381 -8.196 1.00 60.31 H new ATOM 0 HZ2 LYS A 58 -4.750 -9.030 -9.010 1.00 60.31 H new ATOM 0 HZ3 LYS A 58 -4.689 -9.104 -7.315 1.00 60.31 H new ATOM 804 N THR A 59 -7.102 -4.527 -3.834 1.00 61.53 N ATOM 805 CA THR A 59 -7.528 -3.106 -3.896 1.00 34.54 C ATOM 806 C THR A 59 -7.581 -2.472 -2.484 1.00 22.43 C ATOM 807 O THR A 59 -8.280 -2.960 -1.597 1.00 53.30 O ATOM 808 CB THR A 59 -8.917 -2.975 -4.606 1.00 60.54 C ATOM 809 OG1 THR A 59 -9.881 -3.829 -3.962 1.00 64.25 O ATOM 810 CG2 THR A 59 -8.826 -3.339 -6.104 1.00 73.44 C ATOM 0 H THR A 59 -7.821 -5.156 -3.476 1.00 61.53 H new ATOM 0 HA THR A 59 -6.786 -2.563 -4.481 1.00 34.54 H new ATOM 0 HB THR A 59 -9.233 -1.935 -4.527 1.00 60.54 H new ATOM 0 HG1 THR A 59 -10.748 -3.740 -4.411 1.00 64.25 H new ATOM 0 HG21 THR A 59 -9.809 -3.236 -6.564 1.00 73.44 H new ATOM 0 HG22 THR A 59 -8.122 -2.670 -6.599 1.00 73.44 H new ATOM 0 HG23 THR A 59 -8.482 -4.368 -6.208 1.00 73.44 H new ATOM 818 N VAL A 60 -6.810 -1.390 -2.290 1.00 11.32 N ATOM 819 CA VAL A 60 -6.739 -0.638 -1.016 1.00 2.32 C ATOM 820 C VAL A 60 -7.352 0.771 -1.205 1.00 74.33 C ATOM 821 O VAL A 60 -6.810 1.586 -1.963 1.00 54.12 O ATOM 822 CB VAL A 60 -5.248 -0.495 -0.514 1.00 31.13 C ATOM 823 CG1 VAL A 60 -5.180 0.217 0.858 1.00 13.11 C ATOM 824 CG2 VAL A 60 -4.530 -1.868 -0.474 1.00 44.53 C ATOM 0 H VAL A 60 -6.210 -1.004 -3.019 1.00 11.32 H new ATOM 0 HA VAL A 60 -7.303 -1.194 -0.267 1.00 2.32 H new ATOM 0 HB VAL A 60 -4.719 0.130 -1.234 1.00 31.13 H new ATOM 0 HG11 VAL A 60 -4.140 0.299 1.174 1.00 13.11 H new ATOM 0 HG12 VAL A 60 -5.613 1.214 0.773 1.00 13.11 H new ATOM 0 HG13 VAL A 60 -5.739 -0.359 1.595 1.00 13.11 H new ATOM 0 HG21 VAL A 60 -3.506 -1.733 -0.124 1.00 44.53 H new ATOM 0 HG22 VAL A 60 -5.060 -2.536 0.204 1.00 44.53 H new ATOM 0 HG23 VAL A 60 -4.518 -2.301 -1.474 1.00 44.53 H new ATOM 834 N THR A 61 -8.481 1.050 -0.532 1.00 10.22 N ATOM 835 CA THR A 61 -9.150 2.367 -0.603 1.00 3.04 C ATOM 836 C THR A 61 -8.488 3.366 0.382 1.00 32.41 C ATOM 837 O THR A 61 -8.558 3.206 1.611 1.00 32.14 O ATOM 838 CB THR A 61 -10.686 2.253 -0.311 1.00 51.23 C ATOM 839 OG1 THR A 61 -11.261 1.232 -1.142 1.00 12.10 O ATOM 840 CG2 THR A 61 -11.427 3.582 -0.572 1.00 4.30 C ATOM 0 H THR A 61 -8.955 0.378 0.072 1.00 10.22 H new ATOM 0 HA THR A 61 -9.032 2.741 -1.620 1.00 3.04 H new ATOM 0 HB THR A 61 -10.798 2.001 0.744 1.00 51.23 H new ATOM 0 HG1 THR A 61 -12.221 1.161 -0.957 1.00 12.10 H new ATOM 0 HG21 THR A 61 -12.488 3.455 -0.356 1.00 4.30 H new ATOM 0 HG22 THR A 61 -11.016 4.360 0.071 1.00 4.30 H new ATOM 0 HG23 THR A 61 -11.301 3.870 -1.616 1.00 4.30 H new ATOM 848 N ILE A 62 -7.823 4.377 -0.187 1.00 12.15 N ATOM 849 CA ILE A 62 -7.122 5.439 0.558 1.00 31.34 C ATOM 850 C ILE A 62 -8.061 6.652 0.759 1.00 12.05 C ATOM 851 O ILE A 62 -8.561 7.207 -0.221 1.00 64.21 O ATOM 852 CB ILE A 62 -5.850 5.922 -0.244 1.00 45.31 C ATOM 853 CG1 ILE A 62 -5.057 4.711 -0.835 1.00 54.34 C ATOM 854 CG2 ILE A 62 -4.940 6.813 0.640 1.00 4.41 C ATOM 855 CD1 ILE A 62 -3.905 5.092 -1.749 1.00 73.31 C ATOM 0 H ILE A 62 -7.753 4.486 -1.199 1.00 12.15 H new ATOM 0 HA ILE A 62 -6.819 5.035 1.524 1.00 31.34 H new ATOM 0 HB ILE A 62 -6.196 6.527 -1.082 1.00 45.31 H new ATOM 0 HG12 ILE A 62 -4.667 4.113 -0.011 1.00 54.34 H new ATOM 0 HG13 ILE A 62 -5.749 4.077 -1.390 1.00 54.34 H new ATOM 0 HG21 ILE A 62 -4.072 7.132 0.063 1.00 4.41 H new ATOM 0 HG22 ILE A 62 -5.498 7.689 0.970 1.00 4.41 H new ATOM 0 HG23 ILE A 62 -4.609 6.245 1.510 1.00 4.41 H new ATOM 0 HD11 ILE A 62 -3.414 4.189 -2.111 1.00 73.31 H new ATOM 0 HD12 ILE A 62 -4.286 5.662 -2.596 1.00 73.31 H new ATOM 0 HD13 ILE A 62 -3.187 5.699 -1.196 1.00 73.31 H new ATOM 867 N THR A 63 -8.290 7.078 2.009 1.00 63.11 N ATOM 868 CA THR A 63 -9.073 8.305 2.300 1.00 25.11 C ATOM 869 C THR A 63 -8.218 9.278 3.128 1.00 31.33 C ATOM 870 O THR A 63 -7.943 9.017 4.303 1.00 41.03 O ATOM 871 CB THR A 63 -10.413 8.011 3.060 1.00 52.34 C ATOM 872 OG1 THR A 63 -11.132 6.951 2.411 1.00 0.20 O ATOM 873 CG2 THR A 63 -11.318 9.259 3.113 1.00 75.24 C ATOM 0 H THR A 63 -7.947 6.597 2.840 1.00 63.11 H new ATOM 0 HA THR A 63 -9.339 8.747 1.340 1.00 25.11 H new ATOM 0 HB THR A 63 -10.150 7.720 4.077 1.00 52.34 H new ATOM 0 HG1 THR A 63 -11.965 6.776 2.896 1.00 0.20 H new ATOM 0 HG21 THR A 63 -12.238 9.019 3.647 1.00 75.24 H new ATOM 0 HG22 THR A 63 -10.797 10.064 3.631 1.00 75.24 H new ATOM 0 HG23 THR A 63 -11.559 9.577 2.099 1.00 75.24 H new ATOM 881 N PHE A 64 -7.838 10.401 2.500 1.00 4.32 N ATOM 882 CA PHE A 64 -6.912 11.416 3.063 1.00 74.14 C ATOM 883 C PHE A 64 -7.428 12.007 4.406 1.00 72.51 C ATOM 884 O PHE A 64 -8.630 11.944 4.689 1.00 3.51 O ATOM 885 CB PHE A 64 -6.713 12.554 2.024 1.00 70.04 C ATOM 886 CG PHE A 64 -6.302 12.068 0.637 1.00 23.24 C ATOM 887 CD1 PHE A 64 -4.965 11.840 0.328 1.00 42.24 C ATOM 888 CD2 PHE A 64 -7.263 11.824 -0.354 1.00 33.30 C ATOM 889 CE1 PHE A 64 -4.599 11.384 -0.918 1.00 4.20 C ATOM 890 CE2 PHE A 64 -6.894 11.362 -1.597 1.00 3.42 C ATOM 891 CZ PHE A 64 -5.563 11.144 -1.881 1.00 24.13 C ATOM 0 H PHE A 64 -8.169 10.641 1.566 1.00 4.32 H new ATOM 0 HA PHE A 64 -5.963 10.924 3.275 1.00 74.14 H new ATOM 0 HB2 PHE A 64 -7.641 13.119 1.939 1.00 70.04 H new ATOM 0 HB3 PHE A 64 -5.954 13.242 2.396 1.00 70.04 H new ATOM 0 HD1 PHE A 64 -4.206 12.023 1.074 1.00 42.24 H new ATOM 0 HD2 PHE A 64 -8.307 12.001 -0.139 1.00 33.30 H new ATOM 0 HE1 PHE A 64 -3.557 11.213 -1.145 1.00 4.20 H new ATOM 0 HE2 PHE A 64 -7.646 11.171 -2.348 1.00 3.42 H new ATOM 0 HZ PHE A 64 -5.272 10.785 -2.857 1.00 24.13 H new ATOM 901 N ALA A 65 -6.518 12.545 5.241 1.00 73.13 N ATOM 902 CA ALA A 65 -6.906 13.254 6.491 1.00 52.31 C ATOM 903 C ALA A 65 -5.854 14.299 6.922 1.00 63.13 C ATOM 904 O ALA A 65 -4.654 14.156 6.633 1.00 0.43 O ATOM 905 CB ALA A 65 -7.154 12.248 7.628 1.00 70.12 C ATOM 0 H ALA A 65 -5.512 12.506 5.080 1.00 73.13 H new ATOM 0 HA ALA A 65 -7.831 13.791 6.280 1.00 52.31 H new ATOM 0 HB1 ALA A 65 -7.437 12.785 8.534 1.00 70.12 H new ATOM 0 HB2 ALA A 65 -7.957 11.568 7.344 1.00 70.12 H new ATOM 0 HB3 ALA A 65 -6.244 11.677 7.814 1.00 70.12 H new ATOM 911 N ALA A 66 -6.331 15.347 7.641 1.00 51.23 N ATOM 912 CA ALA A 66 -5.468 16.363 8.294 1.00 71.21 C ATOM 913 C ALA A 66 -4.582 15.727 9.398 1.00 12.24 C ATOM 914 O ALA A 66 -3.521 16.257 9.742 1.00 24.10 O ATOM 915 CB ALA A 66 -6.335 17.499 8.868 1.00 72.24 C ATOM 0 H ALA A 66 -7.328 15.511 7.784 1.00 51.23 H new ATOM 0 HA ALA A 66 -4.798 16.780 7.542 1.00 71.21 H new ATOM 0 HB1 ALA A 66 -5.694 18.240 9.345 1.00 72.24 H new ATOM 0 HB2 ALA A 66 -6.897 17.971 8.062 1.00 72.24 H new ATOM 0 HB3 ALA A 66 -7.028 17.091 9.604 1.00 72.24 H new ATOM 921 N ASP A 67 -5.048 14.590 9.948 1.00 73.22 N ATOM 922 CA ASP A 67 -4.255 13.711 10.828 1.00 25.33 C ATOM 923 C ASP A 67 -3.894 12.423 10.048 1.00 5.44 C ATOM 924 O ASP A 67 -4.752 11.572 9.791 1.00 41.22 O ATOM 925 CB ASP A 67 -5.057 13.391 12.111 1.00 45.04 C ATOM 926 CG ASP A 67 -4.312 12.472 13.093 1.00 64.42 C ATOM 927 OD1 ASP A 67 -3.294 12.901 13.671 1.00 64.21 O ATOM 928 OD2 ASP A 67 -4.738 11.312 13.288 1.00 42.31 O ATOM 0 H ASP A 67 -5.998 14.252 9.792 1.00 73.22 H new ATOM 0 HA ASP A 67 -3.333 14.207 11.131 1.00 25.33 H new ATOM 0 HB2 ASP A 67 -5.304 14.324 12.617 1.00 45.04 H new ATOM 0 HB3 ASP A 67 -6.000 12.921 11.832 1.00 45.04 H new ATOM 933 N ASP A 68 -2.614 12.307 9.675 1.00 13.45 N ATOM 934 CA ASP A 68 -2.122 11.273 8.724 1.00 51.51 C ATOM 935 C ASP A 68 -2.136 9.827 9.314 1.00 24.42 C ATOM 936 O ASP A 68 -1.186 9.372 9.961 1.00 10.05 O ATOM 937 CB ASP A 68 -0.722 11.669 8.166 1.00 55.14 C ATOM 938 CG ASP A 68 0.299 12.059 9.252 1.00 14.34 C ATOM 939 OD1 ASP A 68 0.170 13.168 9.817 1.00 41.44 O ATOM 940 OD2 ASP A 68 1.219 11.268 9.549 1.00 44.25 O ATOM 0 H ASP A 68 -1.879 12.924 10.019 1.00 13.45 H new ATOM 0 HA ASP A 68 -2.827 11.244 7.893 1.00 51.51 H new ATOM 0 HB2 ASP A 68 -0.323 10.834 7.590 1.00 55.14 H new ATOM 0 HB3 ASP A 68 -0.840 12.505 7.476 1.00 55.14 H new ATOM 945 N SER A 69 -3.255 9.125 9.081 1.00 2.42 N ATOM 946 CA SER A 69 -3.441 7.688 9.436 1.00 3.33 C ATOM 947 C SER A 69 -3.882 6.896 8.178 1.00 44.50 C ATOM 948 O SER A 69 -4.241 5.720 8.248 1.00 2.00 O ATOM 949 CB SER A 69 -4.485 7.552 10.578 1.00 51.12 C ATOM 950 OG SER A 69 -4.667 6.202 10.992 1.00 65.31 O ATOM 0 H SER A 69 -4.075 9.535 8.634 1.00 2.42 H new ATOM 0 HA SER A 69 -2.498 7.274 9.792 1.00 3.33 H new ATOM 0 HB2 SER A 69 -4.166 8.150 11.431 1.00 51.12 H new ATOM 0 HB3 SER A 69 -5.440 7.958 10.244 1.00 51.12 H new ATOM 0 HG SER A 69 -4.570 5.607 10.219 1.00 65.31 H new ATOM 956 N ASP A 70 -3.753 7.554 7.018 1.00 51.43 N ATOM 957 CA ASP A 70 -4.268 7.087 5.709 1.00 42.13 C ATOM 958 C ASP A 70 -3.139 6.575 4.778 1.00 75.13 C ATOM 959 O ASP A 70 -3.412 6.067 3.682 1.00 12.44 O ATOM 960 CB ASP A 70 -5.055 8.245 5.045 1.00 3.21 C ATOM 961 CG ASP A 70 -4.324 9.602 5.118 1.00 2.51 C ATOM 962 OD1 ASP A 70 -4.411 10.270 6.180 1.00 1.00 O ATOM 963 OD2 ASP A 70 -3.655 9.995 4.143 1.00 42.45 O ATOM 0 H ASP A 70 -3.275 8.453 6.955 1.00 51.43 H new ATOM 0 HA ASP A 70 -4.928 6.236 5.878 1.00 42.13 H new ATOM 0 HB2 ASP A 70 -5.241 7.996 4.000 1.00 3.21 H new ATOM 0 HB3 ASP A 70 -6.028 8.338 5.528 1.00 3.21 H new ATOM 968 N ASN A 71 -1.876 6.713 5.232 1.00 31.01 N ATOM 969 CA ASN A 71 -0.689 6.222 4.498 1.00 71.23 C ATOM 970 C ASN A 71 -0.696 4.673 4.427 1.00 75.35 C ATOM 971 O ASN A 71 -0.917 4.002 5.438 1.00 21.23 O ATOM 972 CB ASN A 71 0.608 6.723 5.179 1.00 0.41 C ATOM 973 CG ASN A 71 0.672 8.247 5.264 1.00 21.53 C ATOM 974 OD1 ASN A 71 1.143 8.913 4.350 1.00 15.32 O ATOM 975 ND2 ASN A 71 0.203 8.817 6.360 1.00 51.00 N ATOM 0 H ASN A 71 -1.649 7.167 6.117 1.00 31.01 H new ATOM 0 HA ASN A 71 -0.724 6.614 3.482 1.00 71.23 H new ATOM 0 HB2 ASN A 71 0.673 6.303 6.183 1.00 0.41 H new ATOM 0 HB3 ASN A 71 1.471 6.357 4.624 1.00 0.41 H new ATOM 0 HD21 ASN A 71 0.229 9.832 6.458 1.00 51.00 H new ATOM 0 HD22 ASN A 71 -0.185 8.242 7.108 1.00 51.00 H new ATOM 982 N VAL A 72 -0.451 4.123 3.231 1.00 3.03 N ATOM 983 CA VAL A 72 -0.596 2.678 2.957 1.00 41.04 C ATOM 984 C VAL A 72 0.779 1.967 3.001 1.00 71.33 C ATOM 985 O VAL A 72 1.670 2.287 2.226 1.00 4.10 O ATOM 986 CB VAL A 72 -1.272 2.468 1.546 1.00 63.01 C ATOM 987 CG1 VAL A 72 -1.448 0.977 1.201 1.00 73.22 C ATOM 988 CG2 VAL A 72 -2.621 3.219 1.465 1.00 34.32 C ATOM 0 H VAL A 72 -0.146 4.664 2.422 1.00 3.03 H new ATOM 0 HA VAL A 72 -1.229 2.240 3.729 1.00 41.04 H new ATOM 0 HB VAL A 72 -0.598 2.889 0.801 1.00 63.01 H new ATOM 0 HG11 VAL A 72 -1.917 0.883 0.222 1.00 73.22 H new ATOM 0 HG12 VAL A 72 -0.473 0.490 1.185 1.00 73.22 H new ATOM 0 HG13 VAL A 72 -2.079 0.502 1.952 1.00 73.22 H new ATOM 0 HG21 VAL A 72 -3.068 3.059 0.484 1.00 34.32 H new ATOM 0 HG22 VAL A 72 -3.294 2.843 2.236 1.00 34.32 H new ATOM 0 HG23 VAL A 72 -2.454 4.285 1.618 1.00 34.32 H new ATOM 998 N VAL A 73 0.937 0.997 3.913 1.00 14.54 N ATOM 999 CA VAL A 73 2.150 0.161 4.019 1.00 12.20 C ATOM 1000 C VAL A 73 1.801 -1.286 3.602 1.00 44.25 C ATOM 1001 O VAL A 73 1.222 -2.045 4.388 1.00 62.02 O ATOM 1002 CB VAL A 73 2.745 0.201 5.484 1.00 44.34 C ATOM 1003 CG1 VAL A 73 4.001 -0.692 5.620 1.00 4.55 C ATOM 1004 CG2 VAL A 73 3.053 1.657 5.915 1.00 23.14 C ATOM 0 H VAL A 73 0.224 0.766 4.605 1.00 14.54 H new ATOM 0 HA VAL A 73 2.916 0.555 3.351 1.00 12.20 H new ATOM 0 HB VAL A 73 1.986 -0.202 6.154 1.00 44.34 H new ATOM 0 HG11 VAL A 73 4.378 -0.636 6.641 1.00 4.55 H new ATOM 0 HG12 VAL A 73 3.741 -1.724 5.385 1.00 4.55 H new ATOM 0 HG13 VAL A 73 4.770 -0.346 4.930 1.00 4.55 H new ATOM 0 HG21 VAL A 73 3.461 1.659 6.926 1.00 23.14 H new ATOM 0 HG22 VAL A 73 3.780 2.093 5.230 1.00 23.14 H new ATOM 0 HG23 VAL A 73 2.135 2.245 5.893 1.00 23.14 H new ATOM 1014 N ILE A 74 2.133 -1.657 2.355 1.00 50.43 N ATOM 1015 CA ILE A 74 1.774 -2.974 1.788 1.00 23.42 C ATOM 1016 C ILE A 74 2.834 -4.026 2.175 1.00 11.54 C ATOM 1017 O ILE A 74 3.992 -3.936 1.762 1.00 3.12 O ATOM 1018 CB ILE A 74 1.619 -2.898 0.223 1.00 53.32 C ATOM 1019 CG1 ILE A 74 0.532 -1.839 -0.153 1.00 44.14 C ATOM 1020 CG2 ILE A 74 1.290 -4.292 -0.378 1.00 5.22 C ATOM 1021 CD1 ILE A 74 0.331 -1.608 -1.637 1.00 4.14 C ATOM 0 H ILE A 74 2.654 -1.060 1.713 1.00 50.43 H new ATOM 0 HA ILE A 74 0.812 -3.272 2.204 1.00 23.42 H new ATOM 0 HB ILE A 74 2.569 -2.583 -0.208 1.00 53.32 H new ATOM 0 HG12 ILE A 74 -0.418 -2.150 0.280 1.00 44.14 H new ATOM 0 HG13 ILE A 74 0.799 -0.890 0.312 1.00 44.14 H new ATOM 0 HG21 ILE A 74 1.189 -4.207 -1.460 1.00 5.22 H new ATOM 0 HG22 ILE A 74 2.094 -4.989 -0.142 1.00 5.22 H new ATOM 0 HG23 ILE A 74 0.356 -4.660 0.046 1.00 5.22 H new ATOM 0 HD11 ILE A 74 -0.444 -0.856 -1.787 1.00 4.14 H new ATOM 0 HD12 ILE A 74 1.264 -1.261 -2.081 1.00 4.14 H new ATOM 0 HD13 ILE A 74 0.028 -2.541 -2.113 1.00 4.14 H new ATOM 1033 N HIS A 75 2.414 -5.021 2.965 1.00 42.02 N ATOM 1034 CA HIS A 75 3.296 -6.075 3.486 1.00 2.25 C ATOM 1035 C HIS A 75 3.447 -7.231 2.476 1.00 13.43 C ATOM 1036 O HIS A 75 2.451 -7.746 1.946 1.00 14.40 O ATOM 1037 CB HIS A 75 2.740 -6.577 4.839 1.00 74.33 C ATOM 1038 CG HIS A 75 2.926 -5.581 5.955 1.00 40.43 C ATOM 1039 ND1 HIS A 75 3.982 -5.641 6.829 1.00 13.11 N ATOM 1040 CD2 HIS A 75 2.218 -4.475 6.308 1.00 44.13 C ATOM 1041 CE1 HIS A 75 3.921 -4.628 7.666 1.00 62.32 C ATOM 1042 NE2 HIS A 75 2.866 -3.905 7.374 1.00 21.04 N ATOM 0 H HIS A 75 1.444 -5.119 3.264 1.00 42.02 H new ATOM 0 HA HIS A 75 4.293 -5.662 3.641 1.00 2.25 H new ATOM 0 HB2 HIS A 75 1.678 -6.799 4.730 1.00 74.33 H new ATOM 0 HB3 HIS A 75 3.235 -7.511 5.106 1.00 74.33 H new ATOM 0 HD1 HIS A 75 4.704 -6.361 6.830 1.00 13.11 H new ATOM 0 HD2 HIS A 75 1.316 -4.114 5.838 1.00 44.13 H new ATOM 0 HE1 HIS A 75 4.623 -4.425 8.461 1.00 62.32 H new ATOM 1051 N LEU A 76 4.710 -7.630 2.232 1.00 11.21 N ATOM 1052 CA LEU A 76 5.090 -8.661 1.244 1.00 51.11 C ATOM 1053 C LEU A 76 6.102 -9.653 1.852 1.00 63.32 C ATOM 1054 O LEU A 76 6.914 -9.302 2.709 1.00 74.44 O ATOM 1055 CB LEU A 76 5.737 -8.023 -0.028 1.00 50.12 C ATOM 1056 CG LEU A 76 4.856 -7.036 -0.855 1.00 23.23 C ATOM 1057 CD1 LEU A 76 5.629 -6.504 -2.084 1.00 34.20 C ATOM 1058 CD2 LEU A 76 3.516 -7.684 -1.278 1.00 4.03 C ATOM 0 H LEU A 76 5.512 -7.237 2.726 1.00 11.21 H new ATOM 0 HA LEU A 76 4.175 -9.182 0.963 1.00 51.11 H new ATOM 0 HB2 LEU A 76 6.639 -7.494 0.280 1.00 50.12 H new ATOM 0 HB3 LEU A 76 6.051 -8.831 -0.689 1.00 50.12 H new ATOM 0 HG LEU A 76 4.618 -6.189 -0.211 1.00 23.23 H new ATOM 0 HD11 LEU A 76 4.994 -5.818 -2.644 1.00 34.20 H new ATOM 0 HD12 LEU A 76 6.525 -5.979 -1.751 1.00 34.20 H new ATOM 0 HD13 LEU A 76 5.914 -7.339 -2.724 1.00 34.20 H new ATOM 0 HD21 LEU A 76 2.930 -6.966 -1.852 1.00 4.03 H new ATOM 0 HD22 LEU A 76 3.714 -8.563 -1.891 1.00 4.03 H new ATOM 0 HD23 LEU A 76 2.958 -7.980 -0.389 1.00 4.03 H new ATOM 1070 N LYS A 77 6.035 -10.897 1.389 1.00 63.13 N ATOM 1071 CA LYS A 77 7.073 -11.916 1.634 1.00 30.44 C ATOM 1072 C LYS A 77 7.771 -12.267 0.308 1.00 64.12 C ATOM 1073 O LYS A 77 7.358 -11.808 -0.762 1.00 62.05 O ATOM 1074 CB LYS A 77 6.445 -13.187 2.266 1.00 34.31 C ATOM 1075 CG LYS A 77 5.428 -13.921 1.369 1.00 11.12 C ATOM 1076 CD LYS A 77 4.757 -15.123 2.074 1.00 21.23 C ATOM 1077 CE LYS A 77 3.779 -15.865 1.154 1.00 1.12 C ATOM 1078 NZ LYS A 77 3.089 -16.994 1.833 1.00 72.14 N ATOM 0 H LYS A 77 5.255 -11.238 0.827 1.00 63.13 H new ATOM 0 HA LYS A 77 7.809 -11.516 2.331 1.00 30.44 H new ATOM 0 HB2 LYS A 77 7.245 -13.880 2.526 1.00 34.31 H new ATOM 0 HB3 LYS A 77 5.951 -12.907 3.197 1.00 34.31 H new ATOM 0 HG2 LYS A 77 4.658 -13.218 1.051 1.00 11.12 H new ATOM 0 HG3 LYS A 77 5.932 -14.271 0.468 1.00 11.12 H new ATOM 0 HD2 LYS A 77 5.526 -15.815 2.418 1.00 21.23 H new ATOM 0 HD3 LYS A 77 4.225 -14.772 2.959 1.00 21.23 H new ATOM 0 HE2 LYS A 77 3.034 -15.162 0.781 1.00 1.12 H new ATOM 0 HE3 LYS A 77 4.320 -16.245 0.288 1.00 1.12 H new ATOM 0 HZ1 LYS A 77 2.234 -17.250 1.299 1.00 72.14 H new ATOM 0 HZ2 LYS A 77 3.727 -17.814 1.878 1.00 72.14 H new ATOM 0 HZ3 LYS A 77 2.823 -16.709 2.797 1.00 72.14 H new ATOM 1092 N HIS A 78 8.841 -13.060 0.382 1.00 75.53 N ATOM 1093 CA HIS A 78 9.410 -13.712 -0.814 1.00 3.03 C ATOM 1094 C HIS A 78 8.659 -15.031 -1.068 1.00 45.52 C ATOM 1095 O HIS A 78 8.480 -15.838 -0.142 1.00 25.22 O ATOM 1096 CB HIS A 78 10.925 -13.955 -0.639 1.00 1.13 C ATOM 1097 CG HIS A 78 11.694 -12.677 -0.425 1.00 41.22 C ATOM 1098 ND1 HIS A 78 12.625 -12.509 0.569 1.00 11.41 N ATOM 1099 CD2 HIS A 78 11.644 -11.496 -1.084 1.00 4.50 C ATOM 1100 CE1 HIS A 78 13.110 -11.289 0.514 1.00 12.34 C ATOM 1101 NE2 HIS A 78 12.532 -10.651 -0.478 1.00 31.30 N ATOM 0 H HIS A 78 9.334 -13.270 1.250 1.00 75.53 H new ATOM 0 HA HIS A 78 9.287 -13.059 -1.678 1.00 3.03 H new ATOM 0 HB2 HIS A 78 11.087 -14.619 0.210 1.00 1.13 H new ATOM 0 HB3 HIS A 78 11.312 -14.465 -1.521 1.00 1.13 H new ATOM 0 HD2 HIS A 78 11.018 -11.264 -1.933 1.00 4.50 H new ATOM 0 HE1 HIS A 78 13.859 -10.879 1.175 1.00 12.34 H new ATOM 0 HE2 HIS A 78 12.715 -9.685 -0.751 1.00 31.30 H new ATOM 1110 N GLY A 79 8.200 -15.224 -2.317 1.00 61.41 N ATOM 1111 CA GLY A 79 7.459 -16.424 -2.704 1.00 3.51 C ATOM 1112 C GLY A 79 8.363 -17.653 -2.836 1.00 51.22 C ATOM 1113 O GLY A 79 8.935 -18.104 -1.835 1.00 11.23 O ATOM 0 H GLY A 79 8.334 -14.556 -3.076 1.00 61.41 H new ATOM 0 HA2 GLY A 79 6.685 -16.624 -1.963 1.00 3.51 H new ATOM 0 HA3 GLY A 79 6.953 -16.245 -3.653 1.00 3.51 H new ATOM 1117 N LEU A 80 8.474 -18.197 -4.072 1.00 12.53 N ATOM 1118 CA LEU A 80 9.289 -19.403 -4.384 1.00 23.11 C ATOM 1119 C LEU A 80 8.885 -20.621 -3.499 1.00 23.31 C ATOM 1120 O LEU A 80 9.687 -21.531 -3.265 1.00 35.22 O ATOM 1121 CB LEU A 80 10.812 -19.085 -4.257 1.00 12.35 C ATOM 1122 CG LEU A 80 11.343 -17.901 -5.130 1.00 33.44 C ATOM 1123 CD1 LEU A 80 12.862 -17.695 -4.936 1.00 54.14 C ATOM 1124 CD2 LEU A 80 10.989 -18.096 -6.623 1.00 22.12 C ATOM 0 H LEU A 80 7.999 -17.811 -4.888 1.00 12.53 H new ATOM 0 HA LEU A 80 9.086 -19.683 -5.418 1.00 23.11 H new ATOM 0 HB2 LEU A 80 11.031 -18.866 -3.212 1.00 12.35 H new ATOM 0 HB3 LEU A 80 11.373 -19.982 -4.518 1.00 12.35 H new ATOM 0 HG LEU A 80 10.842 -16.995 -4.790 1.00 33.44 H new ATOM 0 HD11 LEU A 80 13.199 -16.865 -5.557 1.00 54.14 H new ATOM 0 HD12 LEU A 80 13.068 -17.472 -3.889 1.00 54.14 H new ATOM 0 HD13 LEU A 80 13.392 -18.602 -5.225 1.00 54.14 H new ATOM 0 HD21 LEU A 80 11.373 -17.255 -7.201 1.00 22.12 H new ATOM 0 HD22 LEU A 80 11.438 -19.021 -6.986 1.00 22.12 H new ATOM 0 HD23 LEU A 80 9.906 -18.150 -6.736 1.00 22.12 H new ATOM 1136 N GLU A 81 7.611 -20.628 -3.053 1.00 4.41 N ATOM 1137 CA GLU A 81 7.093 -21.612 -2.081 1.00 5.21 C ATOM 1138 C GLU A 81 6.850 -22.983 -2.752 1.00 51.12 C ATOM 1139 O GLU A 81 5.728 -23.314 -3.168 1.00 40.24 O ATOM 1140 CB GLU A 81 5.805 -21.078 -1.397 1.00 75.05 C ATOM 1141 CG GLU A 81 5.973 -19.739 -0.642 1.00 30.52 C ATOM 1142 CD GLU A 81 4.714 -19.323 0.143 1.00 1.21 C ATOM 1143 OE1 GLU A 81 3.683 -18.999 -0.487 1.00 11.11 O ATOM 1144 OE2 GLU A 81 4.739 -19.331 1.394 1.00 52.24 O ATOM 0 H GLU A 81 6.912 -19.950 -3.358 1.00 4.41 H new ATOM 0 HA GLU A 81 7.847 -21.758 -1.308 1.00 5.21 H new ATOM 0 HB2 GLU A 81 5.033 -20.955 -2.156 1.00 75.05 H new ATOM 0 HB3 GLU A 81 5.445 -21.831 -0.695 1.00 75.05 H new ATOM 0 HG2 GLU A 81 6.813 -19.821 0.048 1.00 30.52 H new ATOM 0 HG3 GLU A 81 6.223 -18.955 -1.357 1.00 30.52 H new ATOM 1151 N HIS A 82 7.936 -23.763 -2.877 1.00 33.21 N ATOM 1152 CA HIS A 82 7.928 -25.085 -3.531 1.00 31.01 C ATOM 1153 C HIS A 82 7.524 -26.179 -2.502 1.00 74.10 C ATOM 1154 O HIS A 82 8.336 -27.020 -2.094 1.00 41.13 O ATOM 1155 CB HIS A 82 9.325 -25.344 -4.168 1.00 71.15 C ATOM 1156 CG HIS A 82 9.394 -26.543 -5.079 1.00 44.23 C ATOM 1157 ND1 HIS A 82 9.560 -27.827 -4.616 1.00 14.23 N ATOM 1158 CD2 HIS A 82 9.338 -26.644 -6.432 1.00 34.12 C ATOM 1159 CE1 HIS A 82 9.606 -28.656 -5.631 1.00 41.34 C ATOM 1160 NE2 HIS A 82 9.475 -27.969 -6.744 1.00 12.43 N ATOM 0 H HIS A 82 8.854 -23.492 -2.524 1.00 33.21 H new ATOM 0 HA HIS A 82 7.189 -25.116 -4.331 1.00 31.01 H new ATOM 0 HB2 HIS A 82 9.621 -24.460 -4.732 1.00 71.15 H new ATOM 0 HB3 HIS A 82 10.055 -25.471 -3.369 1.00 71.15 H new ATOM 0 HD1 HIS A 82 9.636 -28.094 -3.634 1.00 14.23 H new ATOM 0 HD2 HIS A 82 9.209 -25.831 -7.131 1.00 34.12 H new ATOM 0 HE1 HIS A 82 9.731 -29.727 -5.564 1.00 41.34 H new ATOM 1169 N HIS A 83 6.262 -26.097 -2.037 1.00 24.20 N ATOM 1170 CA HIS A 83 5.661 -27.055 -1.074 1.00 0.31 C ATOM 1171 C HIS A 83 4.176 -27.302 -1.419 1.00 30.00 C ATOM 1172 O HIS A 83 3.533 -26.479 -2.082 1.00 71.35 O ATOM 1173 CB HIS A 83 5.768 -26.528 0.391 1.00 30.34 C ATOM 1174 CG HIS A 83 7.178 -26.362 0.910 1.00 24.14 C ATOM 1175 ND1 HIS A 83 7.780 -25.135 1.104 1.00 23.24 N ATOM 1176 CD2 HIS A 83 8.097 -27.283 1.292 1.00 3.53 C ATOM 1177 CE1 HIS A 83 8.999 -25.316 1.573 1.00 32.40 C ATOM 1178 NE2 HIS A 83 9.215 -26.604 1.697 1.00 34.35 N ATOM 0 H HIS A 83 5.620 -25.357 -2.320 1.00 24.20 H new ATOM 0 HA HIS A 83 6.216 -27.990 -1.150 1.00 0.31 H new ATOM 0 HB2 HIS A 83 5.259 -25.566 0.453 1.00 30.34 H new ATOM 0 HB3 HIS A 83 5.234 -27.215 1.048 1.00 30.34 H new ATOM 0 HD2 HIS A 83 7.970 -28.355 1.279 1.00 3.53 H new ATOM 0 HE1 HIS A 83 9.703 -24.534 1.815 1.00 32.40 H new ATOM 0 HE2 HIS A 83 10.076 -27.030 2.039 1.00 34.35 H new ATOM 1187 N HIS A 84 3.636 -28.437 -0.950 1.00 52.33 N ATOM 1188 CA HIS A 84 2.205 -28.773 -1.098 1.00 0.22 C ATOM 1189 C HIS A 84 1.393 -28.082 0.040 1.00 53.31 C ATOM 1190 O HIS A 84 1.137 -28.686 1.087 1.00 21.23 O ATOM 1191 CB HIS A 84 2.048 -30.325 -1.080 1.00 14.41 C ATOM 1192 CG HIS A 84 0.696 -30.848 -1.497 1.00 30.21 C ATOM 1193 ND1 HIS A 84 0.399 -31.177 -2.802 1.00 4.33 N ATOM 1194 CD2 HIS A 84 -0.427 -31.125 -0.785 1.00 55.13 C ATOM 1195 CE1 HIS A 84 -0.834 -31.624 -2.875 1.00 32.13 C ATOM 1196 NE2 HIS A 84 -1.356 -31.604 -1.670 1.00 11.14 N ATOM 0 H HIS A 84 4.175 -29.149 -0.458 1.00 52.33 H new ATOM 0 HA HIS A 84 1.813 -28.407 -2.047 1.00 0.22 H new ATOM 0 HB2 HIS A 84 2.803 -30.756 -1.737 1.00 14.41 H new ATOM 0 HB3 HIS A 84 2.261 -30.682 -0.072 1.00 14.41 H new ATOM 0 HD2 HIS A 84 -0.562 -30.993 0.278 1.00 55.13 H new ATOM 0 HE1 HIS A 84 -1.334 -31.953 -3.774 1.00 32.13 H new ATOM 0 HE2 HIS A 84 -2.303 -31.898 -1.431 1.00 11.14 H new ATOM 1205 N HIS A 85 1.031 -26.790 -0.158 1.00 13.14 N ATOM 1206 CA HIS A 85 0.391 -25.960 0.903 1.00 61.52 C ATOM 1207 C HIS A 85 -0.959 -25.347 0.429 1.00 63.14 C ATOM 1208 O HIS A 85 -1.024 -24.182 0.027 1.00 34.41 O ATOM 1209 CB HIS A 85 1.394 -24.884 1.460 1.00 11.34 C ATOM 1210 CG HIS A 85 1.870 -23.819 0.483 1.00 12.25 C ATOM 1211 ND1 HIS A 85 2.418 -24.102 -0.750 1.00 31.50 N ATOM 1212 CD2 HIS A 85 1.871 -22.458 0.574 1.00 10.03 C ATOM 1213 CE1 HIS A 85 2.735 -22.976 -1.363 1.00 51.32 C ATOM 1214 NE2 HIS A 85 2.410 -21.972 -0.586 1.00 31.21 N ATOM 0 H HIS A 85 1.170 -26.297 -1.040 1.00 13.14 H new ATOM 0 HA HIS A 85 0.140 -26.616 1.736 1.00 61.52 H new ATOM 0 HB2 HIS A 85 0.920 -24.383 2.304 1.00 11.34 H new ATOM 0 HB3 HIS A 85 2.269 -25.404 1.848 1.00 11.34 H new ATOM 0 HD1 HIS A 85 2.557 -25.038 -1.131 1.00 31.50 H new ATOM 0 HD2 HIS A 85 1.513 -21.872 1.408 1.00 10.03 H new ATOM 0 HE1 HIS A 85 3.186 -22.896 -2.341 1.00 51.32 H new ATOM 1223 N HIS A 86 -2.016 -26.200 0.436 1.00 1.10 N ATOM 1224 CA HIS A 86 -3.435 -25.819 0.157 1.00 24.02 C ATOM 1225 C HIS A 86 -3.600 -24.945 -1.126 1.00 30.31 C ATOM 1226 O HIS A 86 -3.804 -23.725 -1.033 1.00 73.33 O ATOM 1227 CB HIS A 86 -4.072 -25.125 1.398 1.00 61.22 C ATOM 1228 CG HIS A 86 -4.063 -25.964 2.654 1.00 51.41 C ATOM 1229 ND1 HIS A 86 -5.110 -26.782 3.028 1.00 52.03 N ATOM 1230 CD2 HIS A 86 -3.127 -26.099 3.628 1.00 0.53 C ATOM 1231 CE1 HIS A 86 -4.818 -27.375 4.165 1.00 42.42 C ATOM 1232 NE2 HIS A 86 -3.625 -26.982 4.551 1.00 62.11 N ATOM 0 H HIS A 86 -1.909 -27.194 0.639 1.00 1.10 H new ATOM 0 HA HIS A 86 -3.972 -26.747 -0.042 1.00 24.02 H new ATOM 0 HB2 HIS A 86 -3.538 -24.195 1.593 1.00 61.22 H new ATOM 0 HB3 HIS A 86 -5.102 -24.858 1.161 1.00 61.22 H new ATOM 0 HD2 HIS A 86 -2.168 -25.603 3.668 1.00 0.53 H new ATOM 0 HE1 HIS A 86 -5.453 -28.070 4.694 1.00 42.42 H new ATOM 0 HE2 HIS A 86 -3.147 -27.285 5.400 1.00 62.11 H new ATOM 1241 N HIS A 87 -3.468 -25.593 -2.308 1.00 72.41 N ATOM 1242 CA HIS A 87 -3.544 -24.921 -3.636 1.00 54.11 C ATOM 1243 C HIS A 87 -2.475 -23.809 -3.774 1.00 64.23 C ATOM 1244 O HIS A 87 -1.895 -23.603 -4.846 1.00 64.03 O ATOM 1245 CB HIS A 87 -4.980 -24.377 -3.897 1.00 60.44 C ATOM 1246 CG HIS A 87 -5.147 -23.562 -5.162 1.00 43.15 C ATOM 1247 ND1 HIS A 87 -5.096 -24.108 -6.427 1.00 73.44 N ATOM 1248 CD2 HIS A 87 -5.349 -22.230 -5.346 1.00 2.15 C ATOM 1249 CE1 HIS A 87 -5.264 -23.158 -7.324 1.00 52.55 C ATOM 1250 NE2 HIS A 87 -5.419 -22.015 -6.694 1.00 21.03 N ATOM 0 H HIS A 87 -3.305 -26.598 -2.372 1.00 72.41 H new ATOM 0 HA HIS A 87 -3.326 -25.665 -4.402 1.00 54.11 H new ATOM 0 HB2 HIS A 87 -5.668 -25.221 -3.936 1.00 60.44 H new ATOM 0 HB3 HIS A 87 -5.277 -23.762 -3.047 1.00 60.44 H new ATOM 0 HD2 HIS A 87 -5.438 -21.482 -4.572 1.00 2.15 H new ATOM 0 HE1 HIS A 87 -5.273 -23.295 -8.395 1.00 52.55 H new ATOM 0 HE2 HIS A 87 -5.568 -21.110 -7.141 1.00 21.03 H new TER 1259 HIS A 87