USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 TYR OH : rot 30:sc= 1.05 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -155:sc= 2.31 (180deg=0.832) USER MOD Set 2.1: A 12 ASN : amide:sc= 1.32 K(o=2.7,f=-1.1) USER MOD Set 2.2: A 24 SER OG : rot -93:sc= 0.875 USER MOD Set 2.3: A 66 ASN : amide:sc= 0.511 K(o=2.7,f=-3.1) USER MOD Set 3.1: A 39 MET CE :methyl -124:sc= -0.908 (180deg=-0.441) USER MOD Set 3.2: A 50 TYR OH : rot 60:sc= -0.717 USER MOD Set 4.1: A 35 TYR OH : rot -90:sc= 1.05 USER MOD Set 4.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 63 GLN : amide:sc= 0.751 K(o=1.8,f=0.29) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.103 (180deg=-0.609) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0104 (180deg=-0.234) USER MOD Single : A 5 LYS NZ :NH3+ 146:sc= -1.89! (180deg=-3.49!) USER MOD Single : A 7 ASN : amide:sc= 0.168 K(o=0.17,f=-3.5!) USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 120:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.115 K(o=0.12,f=-8!) USER MOD Single : A 18 ASN : amide:sc= -0.324 K(o=-0.32,f=-2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.3 K(o=-0.3,f=-1.4) USER MOD Single : A 36 ASN : amide:sc= 0.0303 K(o=0.03,f=-2.5) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 161:sc= -0.061 (180deg=-0.446) USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= -0.0103 (180deg=-0.196) USER MOD Single : A 46 THR OG1 : rot -140:sc= -0.496 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -105:sc= -0.543 USER MOD Single : A 61 SER OG : rot 32:sc= 0.258 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.179 USER MOD Single : A 70 GLN :FLIP amide:sc= -5.04! C(o=-7!,f=-5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 80 HIS : no HD1:sc= 0.00749 K(o=0.0075,f=-3.8!) USER MOD Single : A 81 HIS : no HD1:sc= -0.0925 X(o=-0.093,f=0.0077) USER MOD Single : A 82 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.0053) USER MOD Single : A 83 HIS : +bothHN:sc= 1.41 K(o=1.4,f=-6.4!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.643 19.901 3.279 1.00 0.00 N ATOM 2 CA MET A 1 22.587 19.134 4.123 1.00 0.00 C ATOM 3 C MET A 1 21.963 17.810 4.544 1.00 0.00 C ATOM 4 O MET A 1 21.370 17.702 5.620 1.00 0.00 O ATOM 5 CB MET A 1 22.978 19.947 5.362 1.00 0.00 C ATOM 6 CG MET A 1 23.752 21.216 5.042 1.00 0.00 C ATOM 7 SD MET A 1 25.404 20.879 4.403 1.00 0.00 S ATOM 8 CE MET A 1 26.180 20.185 5.860 1.00 0.00 C ATOM 0 H1 MET A 1 22.157 20.656 2.781 1.00 0.00 H new ATOM 0 H2 MET A 1 21.203 19.265 2.584 1.00 0.00 H new ATOM 0 H3 MET A 1 20.905 20.322 3.878 1.00 0.00 H new ATOM 0 HA MET A 1 23.485 18.931 3.540 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.075 20.212 5.912 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.580 19.321 6.021 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.196 21.801 4.310 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.832 21.825 5.942 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.262 20.283 5.777 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.834 20.718 6.745 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.917 19.131 5.945 1.00 0.00 H new ATOM 20 N ASP A 2 22.090 16.808 3.689 1.00 0.00 N ATOM 21 CA ASP A 2 21.466 15.514 3.920 1.00 0.00 C ATOM 22 C ASP A 2 22.049 14.470 2.981 1.00 0.00 C ATOM 23 O ASP A 2 22.657 14.807 1.964 1.00 0.00 O ATOM 24 CB ASP A 2 19.945 15.604 3.728 1.00 0.00 C ATOM 25 CG ASP A 2 19.557 16.267 2.420 1.00 0.00 C ATOM 26 OD1 ASP A 2 19.518 15.577 1.382 1.00 0.00 O ATOM 27 OD2 ASP A 2 19.298 17.492 2.426 1.00 0.00 O ATOM 0 H ASP A 2 22.624 16.867 2.822 1.00 0.00 H new ATOM 0 HA ASP A 2 21.669 15.216 4.949 1.00 0.00 H new ATOM 0 HB2 ASP A 2 19.519 14.601 3.763 1.00 0.00 H new ATOM 0 HB3 ASP A 2 19.511 16.163 4.557 1.00 0.00 H new ATOM 32 N PHE A 3 21.878 13.207 3.337 1.00 0.00 N ATOM 33 CA PHE A 3 22.350 12.105 2.515 1.00 0.00 C ATOM 34 C PHE A 3 21.258 11.056 2.379 1.00 0.00 C ATOM 35 O PHE A 3 21.022 10.266 3.295 1.00 0.00 O ATOM 36 CB PHE A 3 23.616 11.480 3.109 1.00 0.00 C ATOM 37 CG PHE A 3 24.817 12.380 3.051 1.00 0.00 C ATOM 38 CD1 PHE A 3 25.617 12.413 1.920 1.00 0.00 C ATOM 39 CD2 PHE A 3 25.147 13.194 4.122 1.00 0.00 C ATOM 40 CE1 PHE A 3 26.724 13.237 1.862 1.00 0.00 C ATOM 41 CE2 PHE A 3 26.252 14.020 4.067 1.00 0.00 C ATOM 42 CZ PHE A 3 27.040 14.043 2.935 1.00 0.00 C ATOM 0 H PHE A 3 21.412 12.918 4.197 1.00 0.00 H new ATOM 0 HA PHE A 3 22.598 12.494 1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 3 23.425 11.210 4.148 1.00 0.00 H new ATOM 0 HB3 PHE A 3 23.839 10.556 2.576 1.00 0.00 H new ATOM 0 HD1 PHE A 3 25.372 11.787 1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 3 24.533 13.182 5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 3 27.342 13.250 0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 3 26.499 14.648 4.910 1.00 0.00 H new ATOM 0 HZ PHE A 3 27.903 14.691 2.889 1.00 0.00 H new ATOM 52 N GLY A 4 20.584 11.072 1.244 1.00 0.00 N ATOM 53 CA GLY A 4 19.494 10.154 1.012 1.00 0.00 C ATOM 54 C GLY A 4 18.559 10.660 -0.065 1.00 0.00 C ATOM 55 O GLY A 4 18.764 11.745 -0.612 1.00 0.00 O ATOM 0 H GLY A 4 20.775 11.711 0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.892 9.182 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.938 10.007 1.938 1.00 0.00 H new ATOM 59 N LYS A 5 17.543 9.877 -0.377 1.00 0.00 N ATOM 60 CA LYS A 5 16.575 10.239 -1.400 1.00 0.00 C ATOM 61 C LYS A 5 15.163 10.146 -0.828 1.00 0.00 C ATOM 62 O LYS A 5 14.984 9.616 0.269 1.00 0.00 O ATOM 63 CB LYS A 5 16.727 9.307 -2.606 1.00 0.00 C ATOM 64 CG LYS A 5 18.092 9.381 -3.274 1.00 0.00 C ATOM 65 CD LYS A 5 18.226 8.377 -4.411 1.00 0.00 C ATOM 66 CE LYS A 5 18.529 6.967 -3.914 1.00 0.00 C ATOM 67 NZ LYS A 5 17.404 6.368 -3.147 1.00 0.00 N ATOM 0 H LYS A 5 17.364 8.977 0.068 1.00 0.00 H new ATOM 0 HA LYS A 5 16.754 11.264 -1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.545 8.281 -2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.960 9.552 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.253 10.388 -3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.869 9.195 -2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.303 8.364 -4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 5 19.020 8.700 -5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.761 6.329 -4.767 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.418 6.993 -3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.371 5.343 -3.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.545 6.542 -2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.508 6.800 -3.451 1.00 0.00 H new ATOM 81 N PRO A 6 14.148 10.674 -1.544 1.00 0.00 N ATOM 82 CA PRO A 6 12.749 10.599 -1.109 1.00 0.00 C ATOM 83 C PRO A 6 12.339 9.193 -0.677 1.00 0.00 C ATOM 84 O PRO A 6 12.281 8.267 -1.490 1.00 0.00 O ATOM 85 CB PRO A 6 11.968 11.025 -2.352 1.00 0.00 C ATOM 86 CG PRO A 6 12.895 11.930 -3.081 1.00 0.00 C ATOM 87 CD PRO A 6 14.282 11.409 -2.818 1.00 0.00 C ATOM 0 HA PRO A 6 12.565 11.224 -0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.692 10.165 -2.962 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.043 11.536 -2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.676 11.934 -4.149 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.792 12.957 -2.731 1.00 0.00 H new ATOM 0 HD2 PRO A 6 14.623 10.757 -3.622 1.00 0.00 H new ATOM 0 HD3 PRO A 6 15.005 12.220 -2.737 1.00 0.00 H new ATOM 95 N ASN A 7 12.088 9.041 0.613 1.00 0.00 N ATOM 96 CA ASN A 7 11.660 7.767 1.167 1.00 0.00 C ATOM 97 C ASN A 7 10.186 7.556 0.863 1.00 0.00 C ATOM 98 O ASN A 7 9.335 8.301 1.346 1.00 0.00 O ATOM 99 CB ASN A 7 11.898 7.752 2.677 1.00 0.00 C ATOM 100 CG ASN A 7 11.793 6.365 3.274 1.00 0.00 C ATOM 101 OD1 ASN A 7 11.051 5.512 2.792 1.00 0.00 O ATOM 102 ND2 ASN A 7 12.542 6.136 4.337 1.00 0.00 N ATOM 0 H ASN A 7 12.174 9.790 1.300 1.00 0.00 H new ATOM 0 HA ASN A 7 12.237 6.960 0.716 1.00 0.00 H new ATOM 0 HB2 ASN A 7 12.887 8.160 2.888 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.173 8.407 3.161 1.00 0.00 H new ATOM 0 HD21 ASN A 7 12.518 5.223 4.790 1.00 0.00 H new ATOM 0 HD22 ASN A 7 13.144 6.873 4.705 1.00 0.00 H new ATOM 109 N GLN A 8 9.885 6.554 0.050 1.00 0.00 N ATOM 110 CA GLN A 8 8.523 6.344 -0.406 1.00 0.00 C ATOM 111 C GLN A 8 7.938 5.043 0.122 1.00 0.00 C ATOM 112 O GLN A 8 8.464 3.959 -0.131 1.00 0.00 O ATOM 113 CB GLN A 8 8.457 6.350 -1.934 1.00 0.00 C ATOM 114 CG GLN A 8 8.914 7.656 -2.556 1.00 0.00 C ATOM 115 CD GLN A 8 8.719 7.703 -4.060 1.00 0.00 C ATOM 116 OE1 GLN A 8 8.771 6.551 -4.712 1.00 0.00 O flip ATOM 117 NE2 GLN A 8 8.518 8.773 -4.633 1.00 0.00 N flip ATOM 0 H GLN A 8 10.562 5.879 -0.304 1.00 0.00 H new ATOM 0 HA GLN A 8 7.928 7.168 -0.012 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.074 5.538 -2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 8 7.432 6.147 -2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.366 8.480 -2.099 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.969 7.810 -2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.485 9.640 -4.097 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.385 8.793 -5.644 1.00 0.00 H new ATOM 126 N VAL A 9 6.849 5.168 0.862 1.00 0.00 N ATOM 127 CA VAL A 9 6.051 4.019 1.254 1.00 0.00 C ATOM 128 C VAL A 9 4.911 3.860 0.261 1.00 0.00 C ATOM 129 O VAL A 9 3.934 4.606 0.295 1.00 0.00 O ATOM 130 CB VAL A 9 5.484 4.166 2.683 1.00 0.00 C ATOM 131 CG1 VAL A 9 4.523 3.034 3.007 1.00 0.00 C ATOM 132 CG2 VAL A 9 6.612 4.205 3.699 1.00 0.00 C ATOM 0 H VAL A 9 6.496 6.061 1.205 1.00 0.00 H new ATOM 0 HA VAL A 9 6.692 3.137 1.251 1.00 0.00 H new ATOM 0 HB VAL A 9 4.933 5.105 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.138 3.162 4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.694 3.047 2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.046 2.081 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.196 4.309 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.188 3.281 3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.263 5.053 3.487 1.00 0.00 H new ATOM 142 N THR A 10 5.064 2.911 -0.644 1.00 0.00 N ATOM 143 CA THR A 10 4.130 2.750 -1.742 1.00 0.00 C ATOM 144 C THR A 10 3.031 1.759 -1.391 1.00 0.00 C ATOM 145 O THR A 10 3.266 0.556 -1.316 1.00 0.00 O ATOM 146 CB THR A 10 4.862 2.284 -3.010 1.00 0.00 C ATOM 147 OG1 THR A 10 6.036 3.087 -3.200 1.00 0.00 O ATOM 148 CG2 THR A 10 3.963 2.393 -4.235 1.00 0.00 C ATOM 0 H THR A 10 5.830 2.237 -0.640 1.00 0.00 H new ATOM 0 HA THR A 10 3.672 3.721 -1.929 1.00 0.00 H new ATOM 0 HB THR A 10 5.140 1.237 -2.885 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.507 2.792 -4.007 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.508 2.056 -5.117 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.080 1.770 -4.095 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.658 3.430 -4.371 1.00 0.00 H new ATOM 156 N VAL A 11 1.842 2.281 -1.156 1.00 0.00 N ATOM 157 CA VAL A 11 0.677 1.467 -0.868 1.00 0.00 C ATOM 158 C VAL A 11 -0.023 1.072 -2.165 1.00 0.00 C ATOM 159 O VAL A 11 -0.651 1.904 -2.827 1.00 0.00 O ATOM 160 CB VAL A 11 -0.311 2.225 0.047 1.00 0.00 C ATOM 161 CG1 VAL A 11 -1.570 1.407 0.299 1.00 0.00 C ATOM 162 CG2 VAL A 11 0.358 2.598 1.362 1.00 0.00 C ATOM 0 H VAL A 11 1.657 3.284 -1.160 1.00 0.00 H new ATOM 0 HA VAL A 11 1.011 0.568 -0.350 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.606 3.141 -0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.245 1.968 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.065 1.200 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.303 0.467 0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.353 3.131 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.688 1.693 1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.218 3.238 1.164 1.00 0.00 H new ATOM 172 N ASN A 12 0.115 -0.188 -2.538 1.00 0.00 N ATOM 173 CA ASN A 12 -0.524 -0.708 -3.739 1.00 0.00 C ATOM 174 C ASN A 12 -1.849 -1.358 -3.385 1.00 0.00 C ATOM 175 O ASN A 12 -1.943 -2.079 -2.397 1.00 0.00 O ATOM 176 CB ASN A 12 0.381 -1.727 -4.437 1.00 0.00 C ATOM 177 CG ASN A 12 1.590 -1.092 -5.091 1.00 0.00 C ATOM 178 OD1 ASN A 12 1.529 0.034 -5.587 1.00 0.00 O ATOM 179 ND2 ASN A 12 2.703 -1.811 -5.101 1.00 0.00 N ATOM 0 H ASN A 12 0.667 -0.875 -2.025 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.701 0.125 -4.420 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.715 -2.467 -3.710 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.196 -2.260 -5.192 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.549 -1.436 -5.530 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.714 -2.740 -4.680 1.00 0.00 H new ATOM 186 N TYR A 13 -2.871 -1.094 -4.183 1.00 0.00 N ATOM 187 CA TYR A 13 -4.188 -1.663 -3.943 1.00 0.00 C ATOM 188 C TYR A 13 -4.484 -2.770 -4.947 1.00 0.00 C ATOM 189 O TYR A 13 -4.775 -2.503 -6.114 1.00 0.00 O ATOM 190 CB TYR A 13 -5.259 -0.576 -4.029 1.00 0.00 C ATOM 191 CG TYR A 13 -5.135 0.497 -2.966 1.00 0.00 C ATOM 192 CD1 TYR A 13 -5.599 0.273 -1.678 1.00 0.00 C ATOM 193 CD2 TYR A 13 -4.566 1.734 -3.252 1.00 0.00 C ATOM 194 CE1 TYR A 13 -5.500 1.246 -0.702 1.00 0.00 C ATOM 195 CE2 TYR A 13 -4.465 2.714 -2.281 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.934 2.465 -1.009 1.00 0.00 C ATOM 197 OH TYR A 13 -4.843 3.440 -0.040 1.00 0.00 O ATOM 0 H TYR A 13 -2.814 -0.489 -5.003 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.200 -2.091 -2.941 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.208 -0.107 -5.012 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.241 -1.041 -3.948 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.046 -0.679 -1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.197 1.932 -4.248 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.864 1.053 0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.021 3.669 -2.518 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.902 3.675 0.101 1.00 0.00 H new ATOM 207 N LEU A 14 -4.390 -4.009 -4.492 1.00 0.00 N ATOM 208 CA LEU A 14 -4.623 -5.163 -5.348 1.00 0.00 C ATOM 209 C LEU A 14 -5.979 -5.778 -5.044 1.00 0.00 C ATOM 210 O LEU A 14 -6.533 -5.564 -3.968 1.00 0.00 O ATOM 211 CB LEU A 14 -3.536 -6.219 -5.125 1.00 0.00 C ATOM 212 CG LEU A 14 -2.098 -5.698 -5.137 1.00 0.00 C ATOM 213 CD1 LEU A 14 -1.123 -6.815 -4.805 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.759 -5.080 -6.481 1.00 0.00 C ATOM 0 H LEU A 14 -4.152 -4.243 -3.528 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.598 -4.828 -6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.719 -6.707 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.633 -6.983 -5.896 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.011 -4.924 -4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.105 -6.425 -4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.347 -7.211 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.216 -7.611 -5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.731 -4.717 -6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.867 -5.830 -7.264 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.435 -4.248 -6.680 1.00 0.00 H new ATOM 226 N ASP A 15 -6.504 -6.535 -5.994 1.00 0.00 N ATOM 227 CA ASP A 15 -7.730 -7.305 -5.773 1.00 0.00 C ATOM 228 C ASP A 15 -7.373 -8.652 -5.162 1.00 0.00 C ATOM 229 O ASP A 15 -7.716 -8.954 -4.023 1.00 0.00 O ATOM 230 CB ASP A 15 -8.480 -7.510 -7.097 1.00 0.00 C ATOM 231 CG ASP A 15 -9.753 -8.329 -6.940 1.00 0.00 C ATOM 232 OD1 ASP A 15 -9.665 -9.574 -6.901 1.00 0.00 O ATOM 233 OD2 ASP A 15 -10.849 -7.726 -6.890 1.00 0.00 O ATOM 0 H ASP A 15 -6.105 -6.637 -6.927 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.380 -6.756 -5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.731 -6.537 -7.520 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.820 -8.007 -7.808 1.00 0.00 H new ATOM 238 N GLU A 16 -6.651 -9.439 -5.941 1.00 0.00 N ATOM 239 CA GLU A 16 -6.148 -10.742 -5.521 1.00 0.00 C ATOM 240 C GLU A 16 -5.263 -11.287 -6.627 1.00 0.00 C ATOM 241 O GLU A 16 -4.285 -11.994 -6.389 1.00 0.00 O ATOM 242 CB GLU A 16 -7.292 -11.723 -5.243 1.00 0.00 C ATOM 243 CG GLU A 16 -6.816 -13.068 -4.719 1.00 0.00 C ATOM 244 CD GLU A 16 -7.440 -14.233 -5.453 1.00 0.00 C ATOM 245 OE1 GLU A 16 -8.592 -14.603 -5.139 1.00 0.00 O ATOM 246 OE2 GLU A 16 -6.777 -14.798 -6.345 1.00 0.00 O ATOM 0 H GLU A 16 -6.393 -9.191 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.585 -10.625 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.974 -11.279 -4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.859 -11.878 -6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.731 -13.126 -4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.052 -13.144 -3.658 1.00 0.00 H new ATOM 253 N ASN A 17 -5.617 -10.901 -7.844 1.00 0.00 N ATOM 254 CA ASN A 17 -4.888 -11.271 -9.054 1.00 0.00 C ATOM 255 C ASN A 17 -3.532 -10.569 -9.154 1.00 0.00 C ATOM 256 O ASN A 17 -2.859 -10.661 -10.181 1.00 0.00 O ATOM 257 CB ASN A 17 -5.734 -10.909 -10.278 1.00 0.00 C ATOM 258 CG ASN A 17 -6.305 -9.499 -10.192 1.00 0.00 C ATOM 259 OD1 ASN A 17 -5.747 -8.622 -9.529 1.00 0.00 O ATOM 260 ND2 ASN A 17 -7.420 -9.274 -10.861 1.00 0.00 N ATOM 0 H ASN A 17 -6.431 -10.313 -8.024 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.701 -12.344 -9.013 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.124 -10.997 -11.177 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.551 -11.624 -10.376 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.849 -8.349 -10.840 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.853 -10.025 -11.399 1.00 0.00 H new ATOM 267 N ASN A 18 -3.150 -9.856 -8.092 1.00 0.00 N ATOM 268 CA ASN A 18 -1.880 -9.119 -8.041 1.00 0.00 C ATOM 269 C ASN A 18 -1.894 -7.945 -9.028 1.00 0.00 C ATOM 270 O ASN A 18 -0.859 -7.352 -9.333 1.00 0.00 O ATOM 271 CB ASN A 18 -0.690 -10.061 -8.311 1.00 0.00 C ATOM 272 CG ASN A 18 0.666 -9.405 -8.091 1.00 0.00 C ATOM 273 OD1 ASN A 18 0.818 -8.503 -7.265 1.00 0.00 O ATOM 274 ND2 ASN A 18 1.666 -9.870 -8.825 1.00 0.00 N ATOM 0 H ASN A 18 -3.709 -9.772 -7.243 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.761 -8.711 -7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.773 -10.933 -7.662 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.748 -10.422 -9.338 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.602 -9.480 -8.717 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.500 -10.618 -9.498 1.00 0.00 H new ATOM 281 N THR A 19 -3.077 -7.606 -9.516 1.00 0.00 N ATOM 282 CA THR A 19 -3.245 -6.451 -10.379 1.00 0.00 C ATOM 283 C THR A 19 -3.722 -5.256 -9.557 1.00 0.00 C ATOM 284 O THR A 19 -4.687 -5.363 -8.796 1.00 0.00 O ATOM 285 CB THR A 19 -4.257 -6.742 -11.506 1.00 0.00 C ATOM 286 OG1 THR A 19 -3.905 -7.963 -12.173 1.00 0.00 O ATOM 287 CG2 THR A 19 -4.294 -5.603 -12.517 1.00 0.00 C ATOM 0 H THR A 19 -3.938 -8.119 -9.327 1.00 0.00 H new ATOM 0 HA THR A 19 -2.281 -6.223 -10.834 1.00 0.00 H new ATOM 0 HB THR A 19 -5.246 -6.838 -11.058 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.552 -8.144 -12.887 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.016 -5.835 -13.300 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.587 -4.681 -12.015 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.306 -5.477 -12.960 1.00 0.00 H new ATOM 295 N SER A 20 -3.026 -4.135 -9.686 1.00 0.00 N ATOM 296 CA SER A 20 -3.382 -2.928 -8.959 1.00 0.00 C ATOM 297 C SER A 20 -4.672 -2.334 -9.516 1.00 0.00 C ATOM 298 O SER A 20 -4.699 -1.809 -10.630 1.00 0.00 O ATOM 299 CB SER A 20 -2.241 -1.912 -9.037 1.00 0.00 C ATOM 300 OG SER A 20 -1.024 -2.477 -8.564 1.00 0.00 O ATOM 0 H SER A 20 -2.209 -4.038 -10.290 1.00 0.00 H new ATOM 0 HA SER A 20 -3.548 -3.183 -7.912 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.115 -1.579 -10.067 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.492 -1.032 -8.445 1.00 0.00 H new ATOM 0 HG SER A 20 -0.308 -1.810 -8.625 1.00 0.00 H new ATOM 306 N ILE A 21 -5.743 -2.435 -8.741 1.00 0.00 N ATOM 307 CA ILE A 21 -7.051 -1.958 -9.173 1.00 0.00 C ATOM 308 C ILE A 21 -7.220 -0.474 -8.870 1.00 0.00 C ATOM 309 O ILE A 21 -8.136 0.174 -9.376 1.00 0.00 O ATOM 310 CB ILE A 21 -8.195 -2.756 -8.510 1.00 0.00 C ATOM 311 CG1 ILE A 21 -8.074 -2.712 -6.982 1.00 0.00 C ATOM 312 CG2 ILE A 21 -8.188 -4.195 -9.008 1.00 0.00 C ATOM 313 CD1 ILE A 21 -9.177 -3.456 -6.259 1.00 0.00 C ATOM 0 H ILE A 21 -5.732 -2.844 -7.807 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.104 -2.109 -10.251 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.144 -2.296 -8.786 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.112 -3.135 -6.691 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.077 -1.672 -6.657 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.999 -4.748 -8.534 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.325 -4.206 -10.089 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.235 -4.662 -8.758 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.023 -3.379 -5.183 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.141 -3.020 -6.519 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.162 -4.505 -6.554 1.00 0.00 H new ATOM 325 N ALA A 22 -6.329 0.058 -8.049 1.00 0.00 N ATOM 326 CA ALA A 22 -6.353 1.468 -7.704 1.00 0.00 C ATOM 327 C ALA A 22 -4.942 2.041 -7.766 1.00 0.00 C ATOM 328 O ALA A 22 -3.968 1.299 -7.621 1.00 0.00 O ATOM 329 CB ALA A 22 -6.962 1.667 -6.323 1.00 0.00 C ATOM 0 H ALA A 22 -5.576 -0.470 -7.607 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.974 2.000 -8.424 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.973 2.729 -6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.982 1.283 -6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.368 1.131 -5.583 1.00 0.00 H new ATOM 335 N PRO A 23 -4.815 3.359 -8.000 1.00 0.00 N ATOM 336 CA PRO A 23 -3.515 4.032 -8.102 1.00 0.00 C ATOM 337 C PRO A 23 -2.662 3.856 -6.851 1.00 0.00 C ATOM 338 O PRO A 23 -3.169 3.909 -5.726 1.00 0.00 O ATOM 339 CB PRO A 23 -3.878 5.512 -8.286 1.00 0.00 C ATOM 340 CG PRO A 23 -5.302 5.620 -7.858 1.00 0.00 C ATOM 341 CD PRO A 23 -5.927 4.301 -8.191 1.00 0.00 C ATOM 0 HA PRO A 23 -2.920 3.619 -8.917 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.236 6.153 -7.683 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.754 5.822 -9.324 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.375 5.829 -6.791 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.806 6.434 -8.378 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.767 4.074 -7.535 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.306 4.279 -9.213 1.00 0.00 H new ATOM 349 N SER A 24 -1.368 3.656 -7.057 1.00 0.00 N ATOM 350 CA SER A 24 -0.428 3.483 -5.962 1.00 0.00 C ATOM 351 C SER A 24 -0.385 4.729 -5.080 1.00 0.00 C ATOM 352 O SER A 24 -0.159 5.843 -5.563 1.00 0.00 O ATOM 353 CB SER A 24 0.963 3.188 -6.522 1.00 0.00 C ATOM 354 OG SER A 24 0.921 2.098 -7.427 1.00 0.00 O ATOM 0 H SER A 24 -0.943 3.609 -7.983 1.00 0.00 H new ATOM 0 HA SER A 24 -0.758 2.644 -5.349 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.351 4.072 -7.028 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.648 2.962 -5.705 1.00 0.00 H new ATOM 0 HG SER A 24 1.117 1.266 -6.947 1.00 0.00 H new ATOM 360 N LEU A 25 -0.625 4.541 -3.793 1.00 0.00 N ATOM 361 CA LEU A 25 -0.561 5.633 -2.838 1.00 0.00 C ATOM 362 C LEU A 25 0.780 5.595 -2.119 1.00 0.00 C ATOM 363 O LEU A 25 1.003 4.747 -1.267 1.00 0.00 O ATOM 364 CB LEU A 25 -1.707 5.506 -1.829 1.00 0.00 C ATOM 365 CG LEU A 25 -1.770 6.593 -0.755 1.00 0.00 C ATOM 366 CD1 LEU A 25 -2.012 7.952 -1.390 1.00 0.00 C ATOM 367 CD2 LEU A 25 -2.858 6.274 0.257 1.00 0.00 C ATOM 0 H LEU A 25 -0.867 3.638 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.659 6.584 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.650 5.507 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.626 4.538 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.813 6.623 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.054 8.715 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.199 8.181 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.956 7.936 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.891 7.057 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.821 6.219 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.643 5.317 0.733 1.00 0.00 H new ATOM 379 N TYR A 26 1.669 6.510 -2.452 1.00 0.00 N ATOM 380 CA TYR A 26 3.004 6.488 -1.874 1.00 0.00 C ATOM 381 C TYR A 26 3.268 7.727 -1.029 1.00 0.00 C ATOM 382 O TYR A 26 3.107 8.861 -1.486 1.00 0.00 O ATOM 383 CB TYR A 26 4.082 6.309 -2.957 1.00 0.00 C ATOM 384 CG TYR A 26 3.966 7.242 -4.145 1.00 0.00 C ATOM 385 CD1 TYR A 26 3.214 6.885 -5.259 1.00 0.00 C ATOM 386 CD2 TYR A 26 4.623 8.464 -4.162 1.00 0.00 C ATOM 387 CE1 TYR A 26 3.117 7.722 -6.353 1.00 0.00 C ATOM 388 CE2 TYR A 26 4.535 9.306 -5.253 1.00 0.00 C ATOM 389 CZ TYR A 26 3.779 8.931 -6.347 1.00 0.00 C ATOM 390 OH TYR A 26 3.695 9.766 -7.438 1.00 0.00 O ATOM 0 H TYR A 26 1.498 7.270 -3.111 1.00 0.00 H new ATOM 0 HA TYR A 26 3.057 5.624 -1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.061 6.450 -2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.044 5.281 -3.318 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.697 5.937 -5.269 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.213 8.762 -3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.526 7.431 -7.209 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.054 10.253 -5.251 1.00 0.00 H new ATOM 0 HH TYR A 26 4.219 10.577 -7.270 1.00 0.00 H new ATOM 400 N LEU A 27 3.649 7.492 0.216 1.00 0.00 N ATOM 401 CA LEU A 27 3.974 8.565 1.140 1.00 0.00 C ATOM 402 C LEU A 27 5.467 8.847 1.101 1.00 0.00 C ATOM 403 O LEU A 27 6.253 8.002 0.676 1.00 0.00 O ATOM 404 CB LEU A 27 3.564 8.189 2.568 1.00 0.00 C ATOM 405 CG LEU A 27 2.093 7.819 2.755 1.00 0.00 C ATOM 406 CD1 LEU A 27 1.825 7.426 4.200 1.00 0.00 C ATOM 407 CD2 LEU A 27 1.189 8.970 2.335 1.00 0.00 C ATOM 0 H LEU A 27 3.741 6.557 0.613 1.00 0.00 H new ATOM 0 HA LEU A 27 3.425 9.457 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.176 7.348 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.796 9.026 3.226 1.00 0.00 H new ATOM 0 HG LEU A 27 1.870 6.964 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.773 7.165 4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.443 6.568 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.066 8.263 4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.147 8.684 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.411 9.847 2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.362 9.204 1.284 1.00 0.00 H new ATOM 419 N SER A 28 5.854 10.031 1.542 1.00 0.00 N ATOM 420 CA SER A 28 7.257 10.393 1.617 1.00 0.00 C ATOM 421 C SER A 28 7.550 11.080 2.945 1.00 0.00 C ATOM 422 O SER A 28 6.970 12.120 3.256 1.00 0.00 O ATOM 423 CB SER A 28 7.634 11.298 0.445 1.00 0.00 C ATOM 424 OG SER A 28 7.397 10.645 -0.794 1.00 0.00 O ATOM 0 H SER A 28 5.213 10.760 1.855 1.00 0.00 H new ATOM 0 HA SER A 28 7.860 9.487 1.557 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.055 12.220 0.491 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.685 11.577 0.519 1.00 0.00 H new ATOM 0 HG SER A 28 7.643 11.242 -1.531 1.00 0.00 H new ATOM 430 N GLY A 29 8.438 10.482 3.728 1.00 0.00 N ATOM 431 CA GLY A 29 8.769 11.025 5.028 1.00 0.00 C ATOM 432 C GLY A 29 10.240 10.880 5.343 1.00 0.00 C ATOM 433 O GLY A 29 11.031 10.505 4.473 1.00 0.00 O ATOM 0 H GLY A 29 8.936 9.626 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.493 12.079 5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.182 10.517 5.793 1.00 0.00 H new ATOM 437 N LEU A 30 10.608 11.171 6.579 1.00 0.00 N ATOM 438 CA LEU A 30 12.001 11.106 6.993 1.00 0.00 C ATOM 439 C LEU A 30 12.319 9.763 7.639 1.00 0.00 C ATOM 440 O LEU A 30 11.420 8.985 7.949 1.00 0.00 O ATOM 441 CB LEU A 30 12.317 12.248 7.959 1.00 0.00 C ATOM 442 CG LEU A 30 12.120 13.652 7.382 1.00 0.00 C ATOM 443 CD1 LEU A 30 12.454 14.707 8.424 1.00 0.00 C ATOM 444 CD2 LEU A 30 12.973 13.842 6.137 1.00 0.00 C ATOM 0 H LEU A 30 9.961 11.455 7.315 1.00 0.00 H new ATOM 0 HA LEU A 30 12.625 11.209 6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.687 12.142 8.842 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.351 12.149 8.291 1.00 0.00 H new ATOM 0 HG LEU A 30 11.073 13.765 7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.308 15.699 7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.801 14.585 9.288 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.493 14.595 8.735 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.820 14.846 5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.024 13.709 6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.687 13.107 5.384 1.00 0.00 H new ATOM 456 N PHE A 31 13.602 9.499 7.839 1.00 0.00 N ATOM 457 CA PHE A 31 14.043 8.237 8.418 1.00 0.00 C ATOM 458 C PHE A 31 13.561 8.093 9.861 1.00 0.00 C ATOM 459 O PHE A 31 13.675 9.027 10.654 1.00 0.00 O ATOM 460 CB PHE A 31 15.572 8.125 8.355 1.00 0.00 C ATOM 461 CG PHE A 31 16.123 6.917 9.062 1.00 0.00 C ATOM 462 CD1 PHE A 31 15.705 5.642 8.716 1.00 0.00 C ATOM 463 CD2 PHE A 31 17.059 7.060 10.073 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.206 4.533 9.369 1.00 0.00 C ATOM 465 CE2 PHE A 31 17.566 5.955 10.729 1.00 0.00 C ATOM 466 CZ PHE A 31 17.141 4.688 10.375 1.00 0.00 C ATOM 0 H PHE A 31 14.358 10.143 7.608 1.00 0.00 H new ATOM 0 HA PHE A 31 13.605 7.428 7.833 1.00 0.00 H new ATOM 0 HB2 PHE A 31 15.882 8.096 7.310 1.00 0.00 H new ATOM 0 HB3 PHE A 31 16.011 9.022 8.792 1.00 0.00 H new ATOM 0 HD1 PHE A 31 14.979 5.514 7.927 1.00 0.00 H new ATOM 0 HD2 PHE A 31 17.397 8.047 10.352 1.00 0.00 H new ATOM 0 HE1 PHE A 31 15.867 3.545 9.094 1.00 0.00 H new ATOM 0 HE2 PHE A 31 18.293 6.081 11.517 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.538 3.822 10.883 1.00 0.00 H new ATOM 476 N ASN A 32 13.006 6.921 10.174 1.00 0.00 N ATOM 477 CA ASN A 32 12.551 6.593 11.528 1.00 0.00 C ATOM 478 C ASN A 32 11.352 7.460 11.928 1.00 0.00 C ATOM 479 O ASN A 32 11.008 7.574 13.104 1.00 0.00 O ATOM 480 CB ASN A 32 13.706 6.747 12.532 1.00 0.00 C ATOM 481 CG ASN A 32 13.390 6.164 13.900 1.00 0.00 C ATOM 482 OD1 ASN A 32 12.603 5.225 14.027 1.00 0.00 O ATOM 483 ND2 ASN A 32 14.019 6.703 14.932 1.00 0.00 N ATOM 0 H ASN A 32 12.859 6.172 9.497 1.00 0.00 H new ATOM 0 HA ASN A 32 12.225 5.553 11.540 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.594 6.258 12.132 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.946 7.805 12.641 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.859 6.341 15.872 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.664 7.480 14.787 1.00 0.00 H new ATOM 490 N GLU A 33 10.706 8.057 10.935 1.00 0.00 N ATOM 491 CA GLU A 33 9.500 8.837 11.168 1.00 0.00 C ATOM 492 C GLU A 33 8.282 7.922 11.079 1.00 0.00 C ATOM 493 O GLU A 33 8.244 7.012 10.251 1.00 0.00 O ATOM 494 CB GLU A 33 9.418 9.983 10.153 1.00 0.00 C ATOM 495 CG GLU A 33 8.183 10.857 10.286 1.00 0.00 C ATOM 496 CD GLU A 33 8.307 12.150 9.506 1.00 0.00 C ATOM 497 OE1 GLU A 33 8.544 12.099 8.283 1.00 0.00 O ATOM 498 OE2 GLU A 33 8.189 13.233 10.127 1.00 0.00 O ATOM 0 H GLU A 33 10.999 8.015 9.959 1.00 0.00 H new ATOM 0 HA GLU A 33 9.526 9.277 12.165 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.304 10.609 10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.443 9.563 9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.311 10.306 9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.013 11.085 11.338 1.00 0.00 H new ATOM 505 N ALA A 34 7.306 8.142 11.947 1.00 0.00 N ATOM 506 CA ALA A 34 6.148 7.261 12.031 1.00 0.00 C ATOM 507 C ALA A 34 5.158 7.520 10.899 1.00 0.00 C ATOM 508 O ALA A 34 4.779 8.661 10.635 1.00 0.00 O ATOM 509 CB ALA A 34 5.464 7.418 13.380 1.00 0.00 C ATOM 0 H ALA A 34 7.292 8.922 12.604 1.00 0.00 H new ATOM 0 HA ALA A 34 6.503 6.236 11.929 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.601 6.754 13.430 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.164 7.162 14.175 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.136 8.450 13.504 1.00 0.00 H new ATOM 515 N TYR A 35 4.738 6.448 10.242 1.00 0.00 N ATOM 516 CA TYR A 35 3.771 6.542 9.159 1.00 0.00 C ATOM 517 C TYR A 35 2.619 5.576 9.399 1.00 0.00 C ATOM 518 O TYR A 35 2.776 4.568 10.094 1.00 0.00 O ATOM 519 CB TYR A 35 4.430 6.224 7.809 1.00 0.00 C ATOM 520 CG TYR A 35 4.765 4.760 7.621 1.00 0.00 C ATOM 521 CD1 TYR A 35 5.911 4.212 8.177 1.00 0.00 C ATOM 522 CD2 TYR A 35 3.922 3.921 6.900 1.00 0.00 C ATOM 523 CE1 TYR A 35 6.208 2.872 8.021 1.00 0.00 C ATOM 524 CE2 TYR A 35 4.212 2.581 6.743 1.00 0.00 C ATOM 525 CZ TYR A 35 5.356 2.063 7.305 1.00 0.00 C ATOM 526 OH TYR A 35 5.647 0.728 7.158 1.00 0.00 O ATOM 0 H TYR A 35 5.054 5.499 10.442 1.00 0.00 H new ATOM 0 HA TYR A 35 3.391 7.563 9.133 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.763 6.540 7.007 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.344 6.811 7.714 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.582 4.843 8.741 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.025 4.325 6.455 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.105 2.461 8.459 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.545 1.943 6.182 1.00 0.00 H new ATOM 0 HH TYR A 35 6.185 0.598 6.349 1.00 0.00 H new ATOM 536 N ASN A 36 1.474 5.883 8.814 1.00 0.00 N ATOM 537 CA ASN A 36 0.314 5.005 8.881 1.00 0.00 C ATOM 538 C ASN A 36 -0.214 4.757 7.473 1.00 0.00 C ATOM 539 O ASN A 36 0.019 5.561 6.570 1.00 0.00 O ATOM 540 CB ASN A 36 -0.782 5.618 9.760 1.00 0.00 C ATOM 541 CG ASN A 36 -1.958 4.679 9.972 1.00 0.00 C ATOM 542 OD1 ASN A 36 -1.796 3.458 10.003 1.00 0.00 O ATOM 543 ND2 ASN A 36 -3.148 5.242 10.109 1.00 0.00 N ATOM 0 H ASN A 36 1.321 6.740 8.283 1.00 0.00 H new ATOM 0 HA ASN A 36 0.613 4.057 9.328 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.358 5.887 10.728 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.137 6.540 9.300 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.975 4.660 10.246 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.238 6.257 10.077 1.00 0.00 H new ATOM 550 N VAL A 37 -0.909 3.648 7.286 1.00 0.00 N ATOM 551 CA VAL A 37 -1.435 3.290 5.979 1.00 0.00 C ATOM 552 C VAL A 37 -2.947 3.485 5.939 1.00 0.00 C ATOM 553 O VAL A 37 -3.687 2.805 6.652 1.00 0.00 O ATOM 554 CB VAL A 37 -1.089 1.828 5.616 1.00 0.00 C ATOM 555 CG1 VAL A 37 -1.691 1.443 4.271 1.00 0.00 C ATOM 556 CG2 VAL A 37 0.419 1.627 5.602 1.00 0.00 C ATOM 0 H VAL A 37 -1.123 2.978 8.025 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.968 3.947 5.245 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.520 1.178 6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.433 0.410 4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.775 1.545 4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.296 2.099 3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.646 0.592 5.345 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.868 2.291 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.825 1.853 6.588 1.00 0.00 H new ATOM 566 N PRO A 38 -3.419 4.436 5.116 1.00 0.00 N ATOM 567 CA PRO A 38 -4.848 4.722 4.968 1.00 0.00 C ATOM 568 C PRO A 38 -5.617 3.539 4.386 1.00 0.00 C ATOM 569 O PRO A 38 -5.492 3.222 3.199 1.00 0.00 O ATOM 570 CB PRO A 38 -4.891 5.914 4.001 1.00 0.00 C ATOM 571 CG PRO A 38 -3.512 6.478 4.013 1.00 0.00 C ATOM 572 CD PRO A 38 -2.597 5.315 4.271 1.00 0.00 C ATOM 0 HA PRO A 38 -5.317 4.927 5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.178 5.597 2.998 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.622 6.656 4.323 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.277 6.957 3.063 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.407 7.238 4.788 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.298 4.823 3.346 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.683 5.624 4.778 1.00 0.00 H new ATOM 580 N MET A 39 -6.398 2.884 5.233 1.00 0.00 N ATOM 581 CA MET A 39 -7.204 1.748 4.811 1.00 0.00 C ATOM 582 C MET A 39 -8.495 2.226 4.161 1.00 0.00 C ATOM 583 O MET A 39 -9.374 2.770 4.834 1.00 0.00 O ATOM 584 CB MET A 39 -7.531 0.850 6.011 1.00 0.00 C ATOM 585 CG MET A 39 -8.365 -0.374 5.652 1.00 0.00 C ATOM 586 SD MET A 39 -8.917 -1.301 7.102 1.00 0.00 S ATOM 587 CE MET A 39 -7.350 -1.707 7.868 1.00 0.00 C ATOM 0 H MET A 39 -6.491 3.121 6.221 1.00 0.00 H new ATOM 0 HA MET A 39 -6.631 1.173 4.083 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.600 0.521 6.472 1.00 0.00 H new ATOM 0 HB3 MET A 39 -8.066 1.437 6.757 1.00 0.00 H new ATOM 0 HG2 MET A 39 -9.235 -0.058 5.076 1.00 0.00 H new ATOM 0 HG3 MET A 39 -7.779 -1.031 5.009 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.276 -2.787 7.995 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.534 -1.360 7.234 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.284 -1.221 8.842 1.00 0.00 H new ATOM 597 N LYS A 40 -8.606 2.036 2.856 1.00 0.00 N ATOM 598 CA LYS A 40 -9.824 2.390 2.141 1.00 0.00 C ATOM 599 C LYS A 40 -10.702 1.160 1.989 1.00 0.00 C ATOM 600 O LYS A 40 -10.209 0.075 1.678 1.00 0.00 O ATOM 601 CB LYS A 40 -9.513 2.943 0.748 1.00 0.00 C ATOM 602 CG LYS A 40 -8.609 4.163 0.725 1.00 0.00 C ATOM 603 CD LYS A 40 -8.543 4.750 -0.677 1.00 0.00 C ATOM 604 CE LYS A 40 -7.512 5.859 -0.787 1.00 0.00 C ATOM 605 NZ LYS A 40 -7.565 6.519 -2.120 1.00 0.00 N ATOM 0 H LYS A 40 -7.870 1.640 2.271 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.337 3.159 2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.048 2.154 0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.452 3.197 0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.982 4.913 1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.608 3.888 1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.302 3.960 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.523 5.139 -0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.686 6.599 -0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.516 5.449 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.849 7.272 -2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.375 5.817 -2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.509 6.930 -2.266 1.00 0.00 H new ATOM 619 N LYS A 41 -11.997 1.310 2.206 1.00 0.00 N ATOM 620 CA LYS A 41 -12.912 0.219 1.945 1.00 0.00 C ATOM 621 C LYS A 41 -13.613 0.461 0.625 1.00 0.00 C ATOM 622 O LYS A 41 -14.488 1.324 0.516 1.00 0.00 O ATOM 623 CB LYS A 41 -13.938 0.043 3.065 1.00 0.00 C ATOM 624 CG LYS A 41 -14.631 -1.312 3.015 1.00 0.00 C ATOM 625 CD LYS A 41 -15.664 -1.467 4.114 1.00 0.00 C ATOM 626 CE LYS A 41 -16.151 -2.903 4.219 1.00 0.00 C ATOM 627 NZ LYS A 41 -15.063 -3.849 4.594 1.00 0.00 N ATOM 0 H LYS A 41 -12.431 2.164 2.557 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.332 -0.703 1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.442 0.158 4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.686 0.833 2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.113 -1.436 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.886 -2.103 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.234 -1.157 5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.509 -0.808 3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.948 -2.959 4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.580 -3.208 3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.479 -4.728 4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.486 -4.064 3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.464 -3.416 5.326 1.00 0.00 H new ATOM 641 N ILE A 42 -13.205 -0.289 -0.382 1.00 0.00 N ATOM 642 CA ILE A 42 -13.776 -0.156 -1.704 1.00 0.00 C ATOM 643 C ILE A 42 -15.194 -0.721 -1.700 1.00 0.00 C ATOM 644 O ILE A 42 -15.516 -1.580 -0.874 1.00 0.00 O ATOM 645 CB ILE A 42 -12.910 -0.879 -2.761 1.00 0.00 C ATOM 646 CG1 ILE A 42 -11.430 -0.531 -2.560 1.00 0.00 C ATOM 647 CG2 ILE A 42 -13.350 -0.503 -4.172 1.00 0.00 C ATOM 648 CD1 ILE A 42 -10.496 -1.274 -3.488 1.00 0.00 C ATOM 0 H ILE A 42 -12.477 -0.999 -0.306 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.806 0.901 -1.969 1.00 0.00 H new ATOM 0 HB ILE A 42 -13.043 -1.954 -2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.295 0.541 -2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.152 -0.749 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.726 -1.024 -4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -14.392 -0.789 -4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -13.247 0.573 -4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.468 -0.975 -3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.600 -2.347 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -10.746 -1.037 -4.522 1.00 0.00 H new ATOM 660 N LYS A 43 -16.033 -0.193 -2.580 1.00 0.00 N ATOM 661 CA LYS A 43 -17.428 -0.602 -2.699 1.00 0.00 C ATOM 662 C LYS A 43 -17.561 -2.115 -2.865 1.00 0.00 C ATOM 663 O LYS A 43 -17.384 -2.645 -3.963 1.00 0.00 O ATOM 664 CB LYS A 43 -18.059 0.117 -3.894 1.00 0.00 C ATOM 665 CG LYS A 43 -19.540 -0.166 -4.087 1.00 0.00 C ATOM 666 CD LYS A 43 -20.074 0.536 -5.326 1.00 0.00 C ATOM 667 CE LYS A 43 -21.581 0.388 -5.447 1.00 0.00 C ATOM 668 NZ LYS A 43 -22.298 1.114 -4.368 1.00 0.00 N ATOM 0 H LYS A 43 -15.763 0.538 -3.238 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.948 -0.329 -1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.920 1.191 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.525 -0.172 -4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -19.700 -1.241 -4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.094 0.166 -3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.814 1.594 -5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -19.595 0.123 -6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.906 0.766 -6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.846 -0.669 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -23.306 1.191 -4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.197 0.594 -3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -21.894 2.066 -4.263 1.00 0.00 H new ATOM 682 N GLY A 44 -17.852 -2.799 -1.764 1.00 0.00 N ATOM 683 CA GLY A 44 -18.035 -4.235 -1.801 1.00 0.00 C ATOM 684 C GLY A 44 -16.720 -4.987 -1.869 1.00 0.00 C ATOM 685 O GLY A 44 -16.556 -5.887 -2.691 1.00 0.00 O ATOM 0 H GLY A 44 -17.965 -2.379 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -18.585 -4.551 -0.914 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -18.645 -4.498 -2.665 1.00 0.00 H new ATOM 689 N TYR A 45 -15.785 -4.628 -0.998 1.00 0.00 N ATOM 690 CA TYR A 45 -14.470 -5.261 -0.972 1.00 0.00 C ATOM 691 C TYR A 45 -14.046 -5.567 0.462 1.00 0.00 C ATOM 692 O TYR A 45 -14.569 -4.979 1.411 1.00 0.00 O ATOM 693 CB TYR A 45 -13.421 -4.375 -1.657 1.00 0.00 C ATOM 694 CG TYR A 45 -13.439 -4.453 -3.172 1.00 0.00 C ATOM 695 CD1 TYR A 45 -14.415 -3.806 -3.917 1.00 0.00 C ATOM 696 CD2 TYR A 45 -12.473 -5.178 -3.855 1.00 0.00 C ATOM 697 CE1 TYR A 45 -14.430 -3.880 -5.297 1.00 0.00 C ATOM 698 CE2 TYR A 45 -12.478 -5.257 -5.234 1.00 0.00 C ATOM 699 CZ TYR A 45 -13.458 -4.607 -5.950 1.00 0.00 C ATOM 700 OH TYR A 45 -13.469 -4.688 -7.325 1.00 0.00 O ATOM 0 H TYR A 45 -15.913 -3.898 -0.297 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.540 -6.199 -1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.582 -3.340 -1.355 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.431 -4.661 -1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.177 -3.234 -3.409 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.703 -5.690 -3.298 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.198 -3.371 -5.860 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.717 -5.826 -5.748 1.00 0.00 H new ATOM 0 HH TYR A 45 -13.861 -3.871 -7.698 1.00 0.00 H new ATOM 710 N THR A 46 -13.121 -6.506 0.611 1.00 0.00 N ATOM 711 CA THR A 46 -12.627 -6.913 1.918 1.00 0.00 C ATOM 712 C THR A 46 -11.120 -7.175 1.876 1.00 0.00 C ATOM 713 O THR A 46 -10.618 -7.791 0.938 1.00 0.00 O ATOM 714 CB THR A 46 -13.365 -8.177 2.408 1.00 0.00 C ATOM 715 OG1 THR A 46 -14.771 -7.917 2.464 1.00 0.00 O ATOM 716 CG2 THR A 46 -12.876 -8.612 3.783 1.00 0.00 C ATOM 0 H THR A 46 -12.694 -7.005 -0.169 1.00 0.00 H new ATOM 0 HA THR A 46 -12.819 -6.098 2.616 1.00 0.00 H new ATOM 0 HB THR A 46 -13.158 -8.983 1.704 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.149 -8.334 3.266 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.417 -9.505 4.096 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.809 -8.832 3.737 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.051 -7.811 4.501 1.00 0.00 H new ATOM 724 N LEU A 47 -10.417 -6.697 2.901 1.00 0.00 N ATOM 725 CA LEU A 47 -8.959 -6.807 2.988 1.00 0.00 C ATOM 726 C LEU A 47 -8.466 -8.254 2.901 1.00 0.00 C ATOM 727 O LEU A 47 -7.398 -8.513 2.344 1.00 0.00 O ATOM 728 CB LEU A 47 -8.478 -6.187 4.301 1.00 0.00 C ATOM 729 CG LEU A 47 -6.975 -6.299 4.569 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.185 -5.429 3.604 1.00 0.00 C ATOM 731 CD2 LEU A 47 -6.666 -5.921 6.005 1.00 0.00 C ATOM 0 H LEU A 47 -10.842 -6.221 3.697 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.546 -6.272 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.753 -5.132 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.013 -6.661 5.124 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.676 -7.335 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.120 -5.526 3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.383 -5.748 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.485 -4.388 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.594 -6.005 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.984 -4.894 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.198 -6.591 6.680 1.00 0.00 H new ATOM 743 N LEU A 48 -9.233 -9.180 3.475 1.00 0.00 N ATOM 744 CA LEU A 48 -8.866 -10.600 3.512 1.00 0.00 C ATOM 745 C LEU A 48 -7.713 -10.852 4.486 1.00 0.00 C ATOM 746 O LEU A 48 -7.895 -11.499 5.518 1.00 0.00 O ATOM 747 CB LEU A 48 -8.483 -11.117 2.117 1.00 0.00 C ATOM 748 CG LEU A 48 -8.005 -12.570 2.070 1.00 0.00 C ATOM 749 CD1 LEU A 48 -9.187 -13.526 2.053 1.00 0.00 C ATOM 750 CD2 LEU A 48 -7.104 -12.800 0.869 1.00 0.00 C ATOM 0 H LEU A 48 -10.123 -8.971 3.927 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.744 -11.145 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.346 -11.014 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.696 -10.479 1.714 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.425 -12.768 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.824 -14.553 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.785 -13.382 2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.801 -13.330 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.775 -13.839 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.654 -12.581 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.235 -12.145 0.935 1.00 0.00 H new ATOM 762 N LYS A 49 -6.537 -10.328 4.164 1.00 0.00 N ATOM 763 CA LYS A 49 -5.332 -10.600 4.937 1.00 0.00 C ATOM 764 C LYS A 49 -4.348 -9.440 4.830 1.00 0.00 C ATOM 765 O LYS A 49 -4.445 -8.615 3.921 1.00 0.00 O ATOM 766 CB LYS A 49 -4.652 -11.868 4.410 1.00 0.00 C ATOM 767 CG LYS A 49 -4.091 -11.693 3.004 1.00 0.00 C ATOM 768 CD LYS A 49 -3.357 -12.928 2.515 1.00 0.00 C ATOM 769 CE LYS A 49 -2.676 -12.657 1.184 1.00 0.00 C ATOM 770 NZ LYS A 49 -1.993 -13.859 0.642 1.00 0.00 N ATOM 0 H LYS A 49 -6.392 -9.708 3.367 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.621 -10.732 5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.845 -12.151 5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.370 -12.688 4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.905 -11.462 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.411 -10.841 2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.615 -13.232 3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.058 -13.755 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.417 -12.308 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.949 -11.854 1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.544 -13.623 -0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.267 -14.179 1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.689 -14.618 0.497 1.00 0.00 H new ATOM 784 N TYR A 50 -3.404 -9.384 5.756 1.00 0.00 N ATOM 785 CA TYR A 50 -2.283 -8.469 5.640 1.00 0.00 C ATOM 786 C TYR A 50 -1.016 -9.239 5.323 1.00 0.00 C ATOM 787 O TYR A 50 -0.408 -9.846 6.202 1.00 0.00 O ATOM 788 CB TYR A 50 -2.096 -7.636 6.911 1.00 0.00 C ATOM 789 CG TYR A 50 -2.745 -6.278 6.824 1.00 0.00 C ATOM 790 CD1 TYR A 50 -2.623 -5.518 5.670 1.00 0.00 C ATOM 791 CD2 TYR A 50 -3.476 -5.756 7.882 1.00 0.00 C ATOM 792 CE1 TYR A 50 -3.212 -4.276 5.569 1.00 0.00 C ATOM 793 CE2 TYR A 50 -4.071 -4.512 7.789 1.00 0.00 C ATOM 794 CZ TYR A 50 -3.934 -3.777 6.629 1.00 0.00 C ATOM 795 OH TYR A 50 -4.527 -2.540 6.529 1.00 0.00 O ATOM 0 H TYR A 50 -3.393 -9.962 6.596 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.499 -7.778 4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.513 -8.179 7.759 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.030 -7.512 7.104 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.057 -5.906 4.836 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.581 -6.330 8.791 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.107 -3.698 4.663 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.639 -4.118 8.618 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.165 -2.542 5.785 1.00 0.00 H new ATOM 805 N ASP A 51 -0.641 -9.233 4.055 1.00 0.00 N ATOM 806 CA ASP A 51 0.559 -9.933 3.614 1.00 0.00 C ATOM 807 C ASP A 51 1.794 -9.094 3.924 1.00 0.00 C ATOM 808 O ASP A 51 2.925 -9.582 3.905 1.00 0.00 O ATOM 809 CB ASP A 51 0.473 -10.243 2.118 1.00 0.00 C ATOM 810 CG ASP A 51 1.629 -11.092 1.625 1.00 0.00 C ATOM 811 OD1 ASP A 51 1.750 -12.254 2.064 1.00 0.00 O ATOM 812 OD2 ASP A 51 2.424 -10.604 0.798 1.00 0.00 O ATOM 0 H ASP A 51 -1.148 -8.752 3.312 1.00 0.00 H new ATOM 0 HA ASP A 51 0.638 -10.877 4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.465 -10.760 1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.451 -9.308 1.559 1.00 0.00 H new ATOM 817 N SER A 52 1.558 -7.826 4.217 1.00 0.00 N ATOM 818 CA SER A 52 2.614 -6.910 4.601 1.00 0.00 C ATOM 819 C SER A 52 2.202 -6.150 5.861 1.00 0.00 C ATOM 820 O SER A 52 1.034 -5.786 6.018 1.00 0.00 O ATOM 821 CB SER A 52 2.904 -5.949 3.447 1.00 0.00 C ATOM 822 OG SER A 52 1.700 -5.432 2.904 1.00 0.00 O ATOM 0 H SER A 52 0.629 -7.405 4.195 1.00 0.00 H new ATOM 0 HA SER A 52 3.525 -7.467 4.821 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.530 -5.129 3.800 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.465 -6.467 2.669 1.00 0.00 H new ATOM 0 HG SER A 52 1.515 -5.867 2.045 1.00 0.00 H new ATOM 828 N GLU A 53 3.148 -5.939 6.768 1.00 0.00 N ATOM 829 CA GLU A 53 2.861 -5.252 8.021 1.00 0.00 C ATOM 830 C GLU A 53 2.801 -3.745 7.812 1.00 0.00 C ATOM 831 O GLU A 53 3.706 -3.152 7.227 1.00 0.00 O ATOM 832 CB GLU A 53 3.911 -5.591 9.079 1.00 0.00 C ATOM 833 CG GLU A 53 3.957 -7.065 9.440 1.00 0.00 C ATOM 834 CD GLU A 53 4.919 -7.354 10.570 1.00 0.00 C ATOM 835 OE1 GLU A 53 6.122 -7.552 10.296 1.00 0.00 O ATOM 836 OE2 GLU A 53 4.479 -7.384 11.737 1.00 0.00 O ATOM 0 H GLU A 53 4.119 -6.233 6.660 1.00 0.00 H new ATOM 0 HA GLU A 53 1.888 -5.594 8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.892 -5.284 8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.708 -5.011 9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.958 -7.398 9.723 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.248 -7.642 8.562 1.00 0.00 H new ATOM 843 N ILE A 54 1.728 -3.132 8.293 1.00 0.00 N ATOM 844 CA ILE A 54 1.538 -1.698 8.147 1.00 0.00 C ATOM 845 C ILE A 54 1.778 -0.977 9.469 1.00 0.00 C ATOM 846 O ILE A 54 1.876 -1.617 10.519 1.00 0.00 O ATOM 847 CB ILE A 54 0.113 -1.356 7.659 1.00 0.00 C ATOM 848 CG1 ILE A 54 -0.921 -1.772 8.712 1.00 0.00 C ATOM 849 CG2 ILE A 54 -0.171 -2.039 6.328 1.00 0.00 C ATOM 850 CD1 ILE A 54 -2.308 -1.232 8.449 1.00 0.00 C ATOM 0 H ILE A 54 0.975 -3.608 8.789 1.00 0.00 H new ATOM 0 HA ILE A 54 2.262 -1.365 7.404 1.00 0.00 H new ATOM 0 HB ILE A 54 0.042 -0.278 7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.966 -2.860 8.754 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.587 -1.429 9.691 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.179 -1.788 5.998 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.550 -1.700 5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.087 -3.119 6.448 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.984 -1.568 9.235 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.278 -0.142 8.437 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.663 -1.596 7.485 1.00 0.00 H new ATOM 862 N LEU A 55 1.858 0.353 9.396 1.00 0.00 N ATOM 863 CA LEU A 55 2.013 1.213 10.572 1.00 0.00 C ATOM 864 C LEU A 55 3.354 0.977 11.267 1.00 0.00 C ATOM 865 O LEU A 55 3.563 -0.037 11.930 1.00 0.00 O ATOM 866 CB LEU A 55 0.850 1.012 11.551 1.00 0.00 C ATOM 867 CG LEU A 55 0.878 1.901 12.799 1.00 0.00 C ATOM 868 CD1 LEU A 55 0.867 3.371 12.415 1.00 0.00 C ATOM 869 CD2 LEU A 55 -0.306 1.585 13.697 1.00 0.00 C ATOM 0 H LEU A 55 1.817 0.867 8.516 1.00 0.00 H new ATOM 0 HA LEU A 55 1.998 2.247 10.228 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.085 1.191 11.020 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.841 -0.031 11.869 1.00 0.00 H new ATOM 0 HG LEU A 55 1.799 1.696 13.344 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.887 3.983 13.317 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.742 3.594 11.805 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.037 3.592 11.847 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.274 2.224 14.580 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.233 1.764 13.153 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.262 0.540 14.003 1.00 0.00 H new ATOM 881 N GLY A 56 4.254 1.931 11.106 1.00 0.00 N ATOM 882 CA GLY A 56 5.571 1.819 11.691 1.00 0.00 C ATOM 883 C GLY A 56 6.386 3.068 11.450 1.00 0.00 C ATOM 884 O GLY A 56 5.848 4.175 11.501 1.00 0.00 O ATOM 0 H GLY A 56 4.094 2.788 10.576 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.481 1.642 12.763 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.087 0.958 11.267 1.00 0.00 H new ATOM 888 N VAL A 57 7.667 2.899 11.169 1.00 0.00 N ATOM 889 CA VAL A 57 8.543 4.027 10.883 1.00 0.00 C ATOM 890 C VAL A 57 9.213 3.862 9.523 1.00 0.00 C ATOM 891 O VAL A 57 9.466 2.738 9.082 1.00 0.00 O ATOM 892 CB VAL A 57 9.624 4.212 11.973 1.00 0.00 C ATOM 893 CG1 VAL A 57 8.994 4.674 13.278 1.00 0.00 C ATOM 894 CG2 VAL A 57 10.411 2.926 12.185 1.00 0.00 C ATOM 0 H VAL A 57 8.126 1.989 11.132 1.00 0.00 H new ATOM 0 HA VAL A 57 7.916 4.918 10.872 1.00 0.00 H new ATOM 0 HB VAL A 57 10.318 4.981 11.633 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.770 4.799 14.033 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.486 5.625 13.120 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.274 3.930 13.618 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.165 3.084 12.957 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.733 2.132 12.497 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.900 2.641 11.253 1.00 0.00 H new ATOM 904 N PHE A 58 9.471 4.982 8.854 1.00 0.00 N ATOM 905 CA PHE A 58 10.125 4.968 7.550 1.00 0.00 C ATOM 906 C PHE A 58 11.519 4.354 7.636 1.00 0.00 C ATOM 907 O PHE A 58 12.445 4.963 8.178 1.00 0.00 O ATOM 908 CB PHE A 58 10.235 6.387 6.978 1.00 0.00 C ATOM 909 CG PHE A 58 8.948 6.959 6.451 1.00 0.00 C ATOM 910 CD1 PHE A 58 8.592 6.778 5.125 1.00 0.00 C ATOM 911 CD2 PHE A 58 8.106 7.689 7.271 1.00 0.00 C ATOM 912 CE1 PHE A 58 7.418 7.314 4.628 1.00 0.00 C ATOM 913 CE2 PHE A 58 6.930 8.226 6.780 1.00 0.00 C ATOM 914 CZ PHE A 58 6.586 8.036 5.455 1.00 0.00 C ATOM 0 H PHE A 58 9.236 5.914 9.195 1.00 0.00 H new ATOM 0 HA PHE A 58 9.510 4.358 6.889 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.618 7.048 7.756 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.970 6.383 6.173 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.239 6.212 4.471 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.370 7.841 8.307 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.153 7.166 3.591 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.281 8.793 7.431 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.667 8.452 5.069 1.00 0.00 H new ATOM 924 N THR A 59 11.656 3.144 7.117 1.00 0.00 N ATOM 925 CA THR A 59 12.952 2.496 7.013 1.00 0.00 C ATOM 926 C THR A 59 13.707 3.091 5.825 1.00 0.00 C ATOM 927 O THR A 59 13.079 3.611 4.907 1.00 0.00 O ATOM 928 CB THR A 59 12.782 0.978 6.813 1.00 0.00 C ATOM 929 OG1 THR A 59 11.725 0.491 7.653 1.00 0.00 O ATOM 930 CG2 THR A 59 14.066 0.231 7.142 1.00 0.00 C ATOM 0 H THR A 59 10.879 2.588 6.759 1.00 0.00 H new ATOM 0 HA THR A 59 13.512 2.661 7.933 1.00 0.00 H new ATOM 0 HB THR A 59 12.537 0.804 5.765 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.620 -0.474 7.520 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.914 -0.838 6.991 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.867 0.579 6.490 1.00 0.00 H new ATOM 0 HG23 THR A 59 14.338 0.416 8.181 1.00 0.00 H new ATOM 938 N GLU A 60 15.034 3.019 5.839 1.00 0.00 N ATOM 939 CA GLU A 60 15.851 3.614 4.775 1.00 0.00 C ATOM 940 C GLU A 60 15.532 3.007 3.412 1.00 0.00 C ATOM 941 O GLU A 60 15.707 3.652 2.379 1.00 0.00 O ATOM 942 CB GLU A 60 17.337 3.436 5.082 1.00 0.00 C ATOM 943 CG GLU A 60 17.810 4.265 6.259 1.00 0.00 C ATOM 944 CD GLU A 60 19.166 3.835 6.764 1.00 0.00 C ATOM 945 OE1 GLU A 60 19.237 2.815 7.478 1.00 0.00 O ATOM 946 OE2 GLU A 60 20.167 4.519 6.464 1.00 0.00 O ATOM 0 H GLU A 60 15.571 2.556 6.572 1.00 0.00 H new ATOM 0 HA GLU A 60 15.612 4.677 4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.535 2.384 5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.918 3.706 4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.851 5.314 5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.084 4.188 7.068 1.00 0.00 H new ATOM 953 N SER A 61 15.070 1.768 3.415 1.00 0.00 N ATOM 954 CA SER A 61 14.694 1.091 2.188 1.00 0.00 C ATOM 955 C SER A 61 13.250 1.424 1.811 1.00 0.00 C ATOM 956 O SER A 61 12.332 1.167 2.593 1.00 0.00 O ATOM 957 CB SER A 61 14.861 -0.419 2.365 1.00 0.00 C ATOM 958 OG SER A 61 14.193 -0.867 3.535 1.00 0.00 O ATOM 0 H SER A 61 14.946 1.209 4.259 1.00 0.00 H new ATOM 0 HA SER A 61 15.343 1.433 1.382 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.464 -0.938 1.493 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.920 -0.667 2.428 1.00 0.00 H new ATOM 0 HG SER A 61 13.398 -0.315 3.690 1.00 0.00 H new ATOM 964 N PRO A 62 13.036 2.016 0.620 1.00 0.00 N ATOM 965 CA PRO A 62 11.694 2.332 0.115 1.00 0.00 C ATOM 966 C PRO A 62 10.765 1.121 0.165 1.00 0.00 C ATOM 967 O PRO A 62 11.063 0.069 -0.405 1.00 0.00 O ATOM 968 CB PRO A 62 11.948 2.757 -1.333 1.00 0.00 C ATOM 969 CG PRO A 62 13.351 3.254 -1.339 1.00 0.00 C ATOM 970 CD PRO A 62 14.090 2.431 -0.321 1.00 0.00 C ATOM 0 HA PRO A 62 11.199 3.098 0.712 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.821 1.920 -2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.251 3.534 -1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.799 3.145 -2.327 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.390 4.314 -1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.580 1.572 -0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.866 3.012 0.177 1.00 0.00 H new ATOM 978 N GLN A 63 9.644 1.276 0.849 1.00 0.00 N ATOM 979 CA GLN A 63 8.738 0.166 1.083 1.00 0.00 C ATOM 980 C GLN A 63 7.690 0.071 -0.015 1.00 0.00 C ATOM 981 O GLN A 63 6.975 1.033 -0.289 1.00 0.00 O ATOM 982 CB GLN A 63 8.037 0.325 2.429 1.00 0.00 C ATOM 983 CG GLN A 63 8.983 0.405 3.611 1.00 0.00 C ATOM 984 CD GLN A 63 8.245 0.612 4.915 1.00 0.00 C ATOM 985 OE1 GLN A 63 7.170 1.209 4.941 1.00 0.00 O ATOM 986 NE2 GLN A 63 8.804 0.114 6.003 1.00 0.00 N ATOM 0 H GLN A 63 9.340 2.162 1.252 1.00 0.00 H new ATOM 0 HA GLN A 63 9.332 -0.748 1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.426 1.227 2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.359 -0.516 2.576 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.570 -0.512 3.668 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.686 1.224 3.458 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.697 -0.375 5.940 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.343 0.218 6.907 1.00 0.00 H new ATOM 995 N THR A 64 7.614 -1.085 -0.647 1.00 0.00 N ATOM 996 CA THR A 64 6.541 -1.365 -1.579 1.00 0.00 C ATOM 997 C THR A 64 5.514 -2.270 -0.903 1.00 0.00 C ATOM 998 O THR A 64 5.684 -3.485 -0.839 1.00 0.00 O ATOM 999 CB THR A 64 7.075 -2.023 -2.865 1.00 0.00 C ATOM 1000 OG1 THR A 64 8.158 -1.238 -3.386 1.00 0.00 O ATOM 1001 CG2 THR A 64 5.981 -2.140 -3.915 1.00 0.00 C ATOM 0 H THR A 64 8.284 -1.845 -0.531 1.00 0.00 H new ATOM 0 HA THR A 64 6.069 -0.425 -1.865 1.00 0.00 H new ATOM 0 HB THR A 64 7.424 -3.026 -2.621 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.501 -1.656 -4.204 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.386 -2.608 -4.812 1.00 0.00 H new ATOM 0 HG22 THR A 64 5.166 -2.749 -3.525 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.606 -1.147 -4.162 1.00 0.00 H new ATOM 1009 N ILE A 65 4.471 -1.657 -0.366 1.00 0.00 N ATOM 1010 CA ILE A 65 3.479 -2.373 0.416 1.00 0.00 C ATOM 1011 C ILE A 65 2.298 -2.782 -0.451 1.00 0.00 C ATOM 1012 O ILE A 65 1.555 -1.937 -0.955 1.00 0.00 O ATOM 1013 CB ILE A 65 2.981 -1.522 1.604 1.00 0.00 C ATOM 1014 CG1 ILE A 65 4.152 -1.149 2.518 1.00 0.00 C ATOM 1015 CG2 ILE A 65 1.908 -2.266 2.388 1.00 0.00 C ATOM 1016 CD1 ILE A 65 3.745 -0.331 3.723 1.00 0.00 C ATOM 0 H ILE A 65 4.290 -0.658 -0.459 1.00 0.00 H new ATOM 0 HA ILE A 65 3.960 -3.269 0.808 1.00 0.00 H new ATOM 0 HB ILE A 65 2.541 -0.606 1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.641 -2.062 2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.888 -0.589 1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.571 -1.648 3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.064 -2.484 1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.319 -3.199 2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.626 -0.105 4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.283 0.599 3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.033 -0.897 4.323 1.00 0.00 H new ATOM 1028 N ASN A 66 2.139 -4.078 -0.634 1.00 0.00 N ATOM 1029 CA ASN A 66 1.042 -4.606 -1.427 1.00 0.00 C ATOM 1030 C ASN A 66 -0.164 -4.894 -0.543 1.00 0.00 C ATOM 1031 O ASN A 66 -0.163 -5.846 0.240 1.00 0.00 O ATOM 1032 CB ASN A 66 1.476 -5.873 -2.168 1.00 0.00 C ATOM 1033 CG ASN A 66 2.536 -5.602 -3.219 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.558 -4.537 -3.842 1.00 0.00 O ATOM 1035 ND2 ASN A 66 3.432 -6.558 -3.418 1.00 0.00 N ATOM 0 H ASN A 66 2.757 -4.789 -0.243 1.00 0.00 H new ATOM 0 HA ASN A 66 0.759 -3.855 -2.165 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.860 -6.596 -1.449 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.606 -6.327 -2.643 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.173 -6.427 -4.106 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.380 -7.425 -2.883 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.175 -4.046 -0.653 1.00 0.00 N ATOM 1043 CA ILE A 67 -2.415 -4.212 0.088 1.00 0.00 C ATOM 1044 C ILE A 67 -3.439 -4.909 -0.796 1.00 0.00 C ATOM 1045 O ILE A 67 -3.523 -4.632 -1.991 1.00 0.00 O ATOM 1046 CB ILE A 67 -2.975 -2.848 0.558 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -1.950 -2.119 1.434 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -4.285 -3.029 1.315 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -1.597 -2.862 2.706 1.00 0.00 C ATOM 0 H ILE A 67 -1.159 -3.225 -1.258 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.211 -4.816 0.972 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.173 -2.242 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.041 -1.956 0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.342 -1.136 1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.658 -2.056 1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.019 -3.503 0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.116 -3.658 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.867 -2.285 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.496 -3.002 3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.174 -3.835 2.454 1.00 0.00 H new ATOM 1061 N ILE A 68 -4.211 -5.812 -0.218 1.00 0.00 N ATOM 1062 CA ILE A 68 -5.138 -6.618 -0.995 1.00 0.00 C ATOM 1063 C ILE A 68 -6.576 -6.383 -0.546 1.00 0.00 C ATOM 1064 O ILE A 68 -6.864 -6.372 0.645 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.788 -8.120 -0.871 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -3.392 -8.384 -1.443 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -5.826 -8.984 -1.574 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -2.938 -9.823 -1.321 1.00 0.00 C ATOM 0 H ILE A 68 -4.215 -6.006 0.783 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.047 -6.317 -2.039 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.792 -8.387 0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.382 -8.099 -2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.674 -7.743 -0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.555 -10.035 -1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.804 -8.816 -1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.863 -8.721 -2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.941 -9.927 -1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.914 -10.109 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.632 -10.470 -1.857 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.464 -6.161 -1.506 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.888 -6.067 -1.229 1.00 0.00 C ATOM 1082 C TYR A 69 -9.654 -6.911 -2.234 1.00 0.00 C ATOM 1083 O TYR A 69 -9.656 -6.617 -3.428 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.376 -4.611 -1.301 1.00 0.00 C ATOM 1085 CG TYR A 69 -8.789 -3.699 -0.246 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -8.960 -3.968 1.107 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -8.078 -2.561 -0.600 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -8.436 -3.130 2.073 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -7.550 -1.718 0.361 1.00 0.00 C ATOM 1090 CZ TYR A 69 -7.732 -2.009 1.696 1.00 0.00 C ATOM 1091 OH TYR A 69 -7.207 -1.171 2.655 1.00 0.00 O ATOM 0 H TYR A 69 -7.219 -6.042 -2.489 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.066 -6.435 -0.218 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.136 -4.209 -2.285 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.462 -4.600 -1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.511 -4.846 1.408 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.934 -2.329 -1.645 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.578 -3.354 3.120 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.998 -0.837 0.067 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.739 -0.428 2.220 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.315 -7.948 -1.749 1.00 0.00 N ATOM 1102 CA GLN A 70 -11.061 -8.846 -2.614 1.00 0.00 C ATOM 1103 C GLN A 70 -12.512 -8.418 -2.701 1.00 0.00 C ATOM 1104 O GLN A 70 -13.035 -7.788 -1.781 1.00 0.00 O ATOM 1105 CB GLN A 70 -11.003 -10.281 -2.097 1.00 0.00 C ATOM 1106 CG GLN A 70 -9.601 -10.842 -1.985 1.00 0.00 C ATOM 1107 CD GLN A 70 -9.605 -12.303 -1.596 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -8.604 -13.035 -2.047 1.00 0.00 O flip ATOM 1109 NE2 GLN A 70 -10.509 -12.773 -0.901 1.00 0.00 N flip ATOM 0 H GLN A 70 -10.350 -8.189 -0.759 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.603 -8.801 -3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.479 -10.322 -1.117 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.586 -10.919 -2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.085 -10.722 -2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.040 -10.271 -1.245 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.265 -12.172 -0.573 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.501 -13.763 -0.654 1.00 0.00 H new ATOM 1118 N LYS A 71 -13.158 -8.759 -3.804 1.00 0.00 N ATOM 1119 CA LYS A 71 -14.569 -8.464 -3.987 1.00 0.00 C ATOM 1120 C LYS A 71 -15.394 -9.208 -2.946 1.00 0.00 C ATOM 1121 O LYS A 71 -15.451 -10.439 -2.940 1.00 0.00 O ATOM 1122 CB LYS A 71 -15.009 -8.837 -5.400 1.00 0.00 C ATOM 1123 CG LYS A 71 -14.046 -8.335 -6.456 1.00 0.00 C ATOM 1124 CD LYS A 71 -14.606 -8.471 -7.858 1.00 0.00 C ATOM 1125 CE LYS A 71 -13.544 -8.182 -8.909 1.00 0.00 C ATOM 1126 NZ LYS A 71 -12.711 -7.000 -8.562 1.00 0.00 N ATOM 0 H LYS A 71 -12.724 -9.243 -4.590 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.730 -7.394 -3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -15.095 -9.921 -5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -16.000 -8.424 -5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.810 -7.289 -6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.111 -8.891 -6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.996 -9.479 -8.000 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.443 -7.785 -7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.902 -9.055 -9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.026 -8.014 -9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.317 -6.586 -9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.298 -6.292 -8.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.935 -7.294 -7.936 1.00 0.00 H new ATOM 1140 N LYS A 72 -16.020 -8.446 -2.066 1.00 0.00 N ATOM 1141 CA LYS A 72 -16.763 -9.000 -0.948 1.00 0.00 C ATOM 1142 C LYS A 72 -18.040 -9.681 -1.427 1.00 0.00 C ATOM 1143 O LYS A 72 -18.537 -10.606 -0.787 1.00 0.00 O ATOM 1144 CB LYS A 72 -17.120 -7.887 0.040 1.00 0.00 C ATOM 1145 CG LYS A 72 -17.718 -8.390 1.343 1.00 0.00 C ATOM 1146 CD LYS A 72 -18.543 -7.314 2.026 1.00 0.00 C ATOM 1147 CE LYS A 72 -19.727 -6.909 1.162 1.00 0.00 C ATOM 1148 NZ LYS A 72 -20.611 -5.922 1.831 1.00 0.00 N ATOM 0 H LYS A 72 -16.027 -7.427 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.135 -9.743 -0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.222 -7.310 0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -17.827 -7.206 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -18.344 -9.260 1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.920 -8.716 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.899 -7.679 2.989 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.919 -6.443 2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.361 -6.488 0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -20.307 -7.796 0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -21.401 -5.680 1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -20.984 -6.331 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -20.068 -5.063 2.051 1.00 0.00 H new ATOM 1162 N ALA A 73 -18.560 -9.226 -2.557 1.00 0.00 N ATOM 1163 CA ALA A 73 -19.826 -9.732 -3.058 1.00 0.00 C ATOM 1164 C ALA A 73 -19.705 -10.202 -4.500 1.00 0.00 C ATOM 1165 O ALA A 73 -19.784 -9.404 -5.434 1.00 0.00 O ATOM 1166 CB ALA A 73 -20.905 -8.668 -2.932 1.00 0.00 C ATOM 0 H ALA A 73 -18.126 -8.511 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 73 -20.107 -10.593 -2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -21.849 -9.060 -3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -21.022 -8.391 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -20.619 -7.789 -3.510 1.00 0.00 H new ATOM 1172 N PRO A 74 -19.470 -11.502 -4.699 1.00 0.00 N ATOM 1173 CA PRO A 74 -19.450 -12.106 -6.014 1.00 0.00 C ATOM 1174 C PRO A 74 -20.819 -12.658 -6.401 1.00 0.00 C ATOM 1175 O PRO A 74 -21.573 -13.135 -5.549 1.00 0.00 O ATOM 1176 CB PRO A 74 -18.430 -13.236 -5.854 1.00 0.00 C ATOM 1177 CG PRO A 74 -18.387 -13.553 -4.387 1.00 0.00 C ATOM 1178 CD PRO A 74 -19.178 -12.491 -3.657 1.00 0.00 C ATOM 0 HA PRO A 74 -19.196 -11.397 -6.802 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -18.724 -14.111 -6.433 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -17.448 -12.929 -6.215 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -18.809 -14.540 -4.198 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -17.357 -13.573 -4.031 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -20.091 -12.898 -3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.604 -12.055 -2.839 1.00 0.00 H new ATOM 1186 N GLU A 75 -21.142 -12.581 -7.684 1.00 0.00 N ATOM 1187 CA GLU A 75 -22.400 -13.116 -8.187 1.00 0.00 C ATOM 1188 C GLU A 75 -22.402 -14.637 -8.082 1.00 0.00 C ATOM 1189 O GLU A 75 -21.350 -15.255 -7.927 1.00 0.00 O ATOM 1190 CB GLU A 75 -22.611 -12.696 -9.642 1.00 0.00 C ATOM 1191 CG GLU A 75 -22.662 -11.191 -9.844 1.00 0.00 C ATOM 1192 CD GLU A 75 -22.840 -10.814 -11.297 1.00 0.00 C ATOM 1193 OE1 GLU A 75 -24.000 -10.698 -11.749 1.00 0.00 O ATOM 1194 OE2 GLU A 75 -21.823 -10.631 -11.995 1.00 0.00 O ATOM 0 H GLU A 75 -20.550 -12.153 -8.396 1.00 0.00 H new ATOM 0 HA GLU A 75 -23.214 -12.716 -7.583 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -21.805 -13.108 -10.250 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.541 -13.134 -10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -23.483 -10.776 -9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -21.743 -10.744 -9.465 1.00 0.00 H new ATOM 1201 N GLN A 76 -23.579 -15.239 -8.180 1.00 0.00 N ATOM 1202 CA GLN A 76 -23.696 -16.690 -8.122 1.00 0.00 C ATOM 1203 C GLN A 76 -23.383 -17.290 -9.489 1.00 0.00 C ATOM 1204 O GLN A 76 -23.219 -18.499 -9.631 1.00 0.00 O ATOM 1205 CB GLN A 76 -25.097 -17.107 -7.670 1.00 0.00 C ATOM 1206 CG GLN A 76 -25.462 -16.632 -6.270 1.00 0.00 C ATOM 1207 CD GLN A 76 -26.821 -17.135 -5.818 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -27.717 -17.357 -6.632 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -26.982 -17.317 -4.517 1.00 0.00 N ATOM 0 H GLN A 76 -24.464 -14.747 -8.300 1.00 0.00 H new ATOM 0 HA GLN A 76 -22.978 -17.066 -7.393 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -25.828 -16.715 -8.378 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -25.171 -18.194 -7.705 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -24.701 -16.970 -5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -25.456 -15.542 -6.247 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -26.213 -17.121 -3.876 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -27.875 -17.653 -4.156 1.00 0.00 H new ATOM 1218 N ALA A 77 -23.284 -16.423 -10.490 1.00 0.00 N ATOM 1219 CA ALA A 77 -22.955 -16.841 -11.849 1.00 0.00 C ATOM 1220 C ALA A 77 -21.441 -16.964 -12.032 1.00 0.00 C ATOM 1221 O ALA A 77 -20.941 -17.050 -13.157 1.00 0.00 O ATOM 1222 CB ALA A 77 -23.534 -15.853 -12.851 1.00 0.00 C ATOM 0 H ALA A 77 -23.428 -15.419 -10.385 1.00 0.00 H new ATOM 0 HA ALA A 77 -23.395 -17.823 -12.025 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -23.284 -16.172 -13.863 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -24.618 -15.815 -12.740 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -23.116 -14.863 -12.669 1.00 0.00 H new ATOM 1228 N LEU A 78 -20.725 -16.971 -10.916 1.00 0.00 N ATOM 1229 CA LEU A 78 -19.275 -17.108 -10.910 1.00 0.00 C ATOM 1230 C LEU A 78 -18.828 -17.549 -9.519 1.00 0.00 C ATOM 1231 O LEU A 78 -19.626 -17.534 -8.582 1.00 0.00 O ATOM 1232 CB LEU A 78 -18.613 -15.774 -11.293 1.00 0.00 C ATOM 1233 CG LEU A 78 -17.094 -15.817 -11.492 1.00 0.00 C ATOM 1234 CD1 LEU A 78 -16.727 -16.765 -12.624 1.00 0.00 C ATOM 1235 CD2 LEU A 78 -16.556 -14.421 -11.766 1.00 0.00 C ATOM 0 H LEU A 78 -21.135 -16.882 -9.986 1.00 0.00 H new ATOM 0 HA LEU A 78 -18.972 -17.856 -11.642 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -19.071 -15.414 -12.214 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -18.838 -15.042 -10.517 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.637 -16.190 -10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.644 -16.781 -12.749 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -17.080 -17.769 -12.387 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -17.194 -16.426 -13.549 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.476 -14.468 -11.905 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -17.021 -14.022 -12.668 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.785 -13.771 -10.922 1.00 0.00 H new ATOM 1247 N GLU A 79 -17.575 -17.953 -9.382 1.00 0.00 N ATOM 1248 CA GLU A 79 -17.046 -18.354 -8.086 1.00 0.00 C ATOM 1249 C GLU A 79 -15.708 -17.684 -7.824 1.00 0.00 C ATOM 1250 O GLU A 79 -15.005 -17.292 -8.754 1.00 0.00 O ATOM 1251 CB GLU A 79 -16.867 -19.872 -8.009 1.00 0.00 C ATOM 1252 CG GLU A 79 -18.163 -20.658 -8.090 1.00 0.00 C ATOM 1253 CD GLU A 79 -17.950 -22.137 -7.852 1.00 0.00 C ATOM 1254 OE1 GLU A 79 -17.480 -22.832 -8.777 1.00 0.00 O ATOM 1255 OE2 GLU A 79 -18.243 -22.614 -6.735 1.00 0.00 O ATOM 0 H GLU A 79 -16.906 -18.012 -10.150 1.00 0.00 H new ATOM 0 HA GLU A 79 -17.766 -18.042 -7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -16.211 -20.190 -8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -16.363 -20.120 -7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -18.867 -20.271 -7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -18.615 -20.511 -9.071 1.00 0.00 H new ATOM 1262 N HIS A 80 -15.362 -17.554 -6.553 1.00 0.00 N ATOM 1263 CA HIS A 80 -14.046 -17.067 -6.173 1.00 0.00 C ATOM 1264 C HIS A 80 -13.050 -18.217 -6.289 1.00 0.00 C ATOM 1265 O HIS A 80 -11.846 -18.006 -6.418 1.00 0.00 O ATOM 1266 CB HIS A 80 -14.069 -16.516 -4.741 1.00 0.00 C ATOM 1267 CG HIS A 80 -12.955 -15.558 -4.436 1.00 0.00 C ATOM 1268 ND1 HIS A 80 -13.164 -14.320 -3.868 1.00 0.00 N ATOM 1269 CD2 HIS A 80 -11.619 -15.659 -4.616 1.00 0.00 C ATOM 1270 CE1 HIS A 80 -12.009 -13.702 -3.722 1.00 0.00 C ATOM 1271 NE2 HIS A 80 -11.053 -14.493 -4.171 1.00 0.00 N ATOM 0 H HIS A 80 -15.973 -17.779 -5.768 1.00 0.00 H new ATOM 0 HA HIS A 80 -13.748 -16.255 -6.836 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.022 -16.015 -4.571 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -14.019 -17.350 -4.041 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -11.093 -16.505 -5.034 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.869 -12.715 -3.305 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.057 -14.273 -4.185 1.00 0.00 H new ATOM 1280 N HIS A 81 -13.590 -19.435 -6.252 1.00 0.00 N ATOM 1281 CA HIS A 81 -12.803 -20.661 -6.380 1.00 0.00 C ATOM 1282 C HIS A 81 -12.014 -20.654 -7.686 1.00 0.00 C ATOM 1283 O HIS A 81 -10.861 -21.083 -7.737 1.00 0.00 O ATOM 1284 CB HIS A 81 -13.744 -21.871 -6.354 1.00 0.00 C ATOM 1285 CG HIS A 81 -13.094 -23.166 -5.974 1.00 0.00 C ATOM 1286 ND1 HIS A 81 -13.785 -24.191 -5.369 1.00 0.00 N ATOM 1287 CD2 HIS A 81 -11.820 -23.607 -6.114 1.00 0.00 C ATOM 1288 CE1 HIS A 81 -12.969 -25.203 -5.148 1.00 0.00 C ATOM 1289 NE2 HIS A 81 -11.767 -24.877 -5.591 1.00 0.00 N ATOM 0 H HIS A 81 -14.589 -19.600 -6.132 1.00 0.00 H new ATOM 0 HA HIS A 81 -12.101 -20.720 -5.549 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -14.554 -21.668 -5.653 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -14.196 -21.983 -7.340 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.999 -23.062 -6.555 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -13.237 -26.140 -4.683 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -10.938 -25.470 -5.551 1.00 0.00 H new ATOM 1298 N HIS A 82 -12.651 -20.166 -8.738 1.00 0.00 N ATOM 1299 CA HIS A 82 -12.024 -20.071 -10.046 1.00 0.00 C ATOM 1300 C HIS A 82 -12.305 -18.704 -10.654 1.00 0.00 C ATOM 1301 O HIS A 82 -13.439 -18.396 -11.010 1.00 0.00 O ATOM 1302 CB HIS A 82 -12.533 -21.187 -10.970 1.00 0.00 C ATOM 1303 CG HIS A 82 -12.019 -21.097 -12.379 1.00 0.00 C ATOM 1304 ND1 HIS A 82 -10.802 -21.606 -12.773 1.00 0.00 N ATOM 1305 CD2 HIS A 82 -12.561 -20.533 -13.483 1.00 0.00 C ATOM 1306 CE1 HIS A 82 -10.617 -21.354 -14.056 1.00 0.00 C ATOM 1307 NE2 HIS A 82 -11.669 -20.701 -14.514 1.00 0.00 N ATOM 0 H HIS A 82 -13.612 -19.826 -8.710 1.00 0.00 H new ATOM 0 HA HIS A 82 -10.947 -20.191 -9.931 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -12.246 -22.151 -10.550 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -13.622 -21.160 -10.989 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -13.520 -20.040 -13.543 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.749 -21.635 -14.634 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -11.798 -20.376 -15.472 1.00 0.00 H new ATOM 1316 N HIS A 83 -11.268 -17.887 -10.759 1.00 0.00 N ATOM 1317 CA HIS A 83 -11.395 -16.562 -11.359 1.00 0.00 C ATOM 1318 C HIS A 83 -11.383 -16.706 -12.875 1.00 0.00 C ATOM 1319 O HIS A 83 -11.475 -17.813 -13.393 1.00 0.00 O ATOM 1320 CB HIS A 83 -10.228 -15.651 -10.941 1.00 0.00 C ATOM 1321 CG HIS A 83 -9.656 -15.942 -9.586 1.00 0.00 C ATOM 1322 ND1 HIS A 83 -8.555 -16.745 -9.405 1.00 0.00 N ATOM 1323 CD2 HIS A 83 -10.023 -15.522 -8.354 1.00 0.00 C ATOM 1324 CE1 HIS A 83 -8.272 -16.813 -8.119 1.00 0.00 C ATOM 1325 NE2 HIS A 83 -9.144 -16.075 -7.452 1.00 0.00 N ATOM 0 H HIS A 83 -10.328 -18.116 -10.437 1.00 0.00 H new ATOM 0 HA HIS A 83 -12.328 -16.114 -11.017 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.433 -15.740 -11.682 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -10.569 -14.616 -10.961 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -8.038 -17.214 -10.149 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.853 -14.872 -8.121 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -7.462 -17.378 -7.682 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -9.162 -15.939 -6.441 1.00 0.00 H new ATOM 1334 N HIS A 84 -11.253 -15.598 -13.591 1.00 0.00 N ATOM 1335 CA HIS A 84 -11.010 -15.672 -15.029 1.00 0.00 C ATOM 1336 C HIS A 84 -9.571 -16.114 -15.273 1.00 0.00 C ATOM 1337 O HIS A 84 -9.165 -16.385 -16.401 1.00 0.00 O ATOM 1338 CB HIS A 84 -11.300 -14.335 -15.718 1.00 0.00 C ATOM 1339 CG HIS A 84 -12.745 -14.153 -16.079 1.00 0.00 C ATOM 1340 ND1 HIS A 84 -13.161 -13.499 -17.218 1.00 0.00 N ATOM 1341 CD2 HIS A 84 -13.875 -14.554 -15.449 1.00 0.00 C ATOM 1342 CE1 HIS A 84 -14.481 -13.510 -17.274 1.00 0.00 C ATOM 1343 NE2 HIS A 84 -14.938 -14.144 -16.212 1.00 0.00 N ATOM 0 H HIS A 84 -11.310 -14.653 -13.211 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.690 -16.405 -15.463 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.992 -13.522 -15.061 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.695 -14.261 -16.622 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -13.929 -15.097 -14.517 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.084 -13.074 -18.057 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -15.922 -14.303 -15.994 1.00 0.00 H new ATOM 1352 N HIS A 85 -8.808 -16.165 -14.188 1.00 0.00 N ATOM 1353 CA HIS A 85 -7.471 -16.732 -14.188 1.00 0.00 C ATOM 1354 C HIS A 85 -7.349 -17.670 -12.996 1.00 0.00 C ATOM 1355 O HIS A 85 -7.338 -17.165 -11.851 1.00 0.00 O ATOM 1356 CB HIS A 85 -6.393 -15.646 -14.097 1.00 0.00 C ATOM 1357 CG HIS A 85 -6.453 -14.622 -15.187 1.00 0.00 C ATOM 1358 ND1 HIS A 85 -5.935 -14.821 -16.448 1.00 0.00 N ATOM 1359 CD2 HIS A 85 -6.975 -13.376 -15.192 1.00 0.00 C ATOM 1360 CE1 HIS A 85 -6.134 -13.740 -17.178 1.00 0.00 C ATOM 1361 NE2 HIS A 85 -6.763 -12.846 -16.440 1.00 0.00 N ATOM 1362 OXT HIS A 85 -7.288 -18.895 -13.198 1.00 0.00 O ATOM 0 H HIS A 85 -9.104 -15.811 -13.279 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.318 -17.268 -15.125 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -6.484 -15.141 -13.135 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -5.413 -16.122 -14.116 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -7.469 -12.887 -14.365 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -5.833 -13.609 -18.207 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -7.045 -11.915 -16.746 1.00 0.00 H new TER 1371 HIS A 85