USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 738 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 11 THR OG1 : rot 180:sc= -0.57 USER MOD Set 1.2: A 43 GLN : amide:sc= -2.86! C(o=-3.4!,f=0.098!) USER MOD Set 2.1: A 22 HIS : no HD1:sc= -5.4! C(o=-17!,f=-20!) USER MOD Set 2.2: A 24 SER OG : rot -170:sc= -0.519 USER MOD Set 2.3: A 25 MET CE :methyl -148:sc= -4.07! (180deg=-6.2!) USER MOD Set 2.4: A 48 MET CE :methyl -107:sc= -2.95 (180deg=-1.15) USER MOD Set 2.5: A 57 MET CE :methyl -110:sc= -3.64! (180deg=-6.36!) USER MOD Set 3.1: A 14 ASN : amide:sc= -0.0927 K(o=0.67,f=-2.6!) USER MOD Set 3.2: A 39 ASN : amide:sc= 0.762 K(o=0.67,f=-2.6) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.0963 USER MOD Single : A 9 CYS SG : rot -9:sc= 0.405 USER MOD Single : A 13 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.00024) USER MOD Single : A 17 SER OG : rot 180:sc= -0.064 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -175:sc= -1.54 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.8 K(o=-2.8,f=-4.3) USER MOD Single : A 32 THR OG1 : rot -66:sc= 1.1 USER MOD Single : A 34 GLN : amide:sc=-0.00182 X(o=-0.0018,f=0) USER MOD Single : A 41 HIS : no HE2:sc= -4.5 K(o=-4.5,f=-1.5) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.2 USER MOD Single : A 49 LYS NZ :NH3+ 138:sc= 1.07 (180deg=0.154) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -150:sc= -0.59 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0741 USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= -0.0134 (180deg=-0.145) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.175 X(o=-0.17,f=-0.0012) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0337 USER MOD Single : A 81 MET CE :methyl -158:sc=-0.00072 (180deg=-0.193) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -5:sc= -0.827 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ARG A 3 -11.684 -0.021 17.400 1.00 45.43 N ATOM 12 CA ARG A 3 -10.493 -0.842 17.216 1.00 34.53 C ATOM 13 C ARG A 3 -9.646 -0.321 16.059 1.00 22.34 C ATOM 14 O ARG A 3 -10.173 0.068 15.018 1.00 73.32 O ATOM 15 CB ARG A 3 -10.888 -2.298 16.959 1.00 44.05 C ATOM 16 CG ARG A 3 -11.321 -3.043 18.211 1.00 43.52 C ATOM 17 CD ARG A 3 -10.607 -4.379 18.339 1.00 30.21 C ATOM 18 NE ARG A 3 -11.183 -5.394 17.460 1.00 2.43 N ATOM 19 CZ ARG A 3 -12.283 -6.079 17.751 1.00 22.20 C ATOM 20 NH1 ARG A 3 -12.923 -5.860 18.891 1.00 3.33 N ATOM 21 NH2 ARG A 3 -12.745 -6.986 16.900 1.00 72.11 N ATOM 0 HA ARG A 3 -9.900 -0.788 18.129 1.00 34.53 H new ATOM 0 HB2 ARG A 3 -11.701 -2.322 16.233 1.00 44.05 H new ATOM 0 HB3 ARG A 3 -10.044 -2.821 16.510 1.00 44.05 H new ATOM 0 HG2 ARG A 3 -11.113 -2.432 19.089 1.00 43.52 H new ATOM 0 HG3 ARG A 3 -12.398 -3.206 18.184 1.00 43.52 H new ATOM 0 HD2 ARG A 3 -9.551 -4.250 18.101 1.00 30.21 H new ATOM 0 HD3 ARG A 3 -10.661 -4.721 19.372 1.00 30.21 H new ATOM 0 HE ARG A 3 -10.715 -5.587 16.575 1.00 2.43 H new ATOM 0 HH11 ARG A 3 -12.571 -5.164 19.548 1.00 3.33 H new ATOM 0 HH12 ARG A 3 -13.768 -6.388 19.111 1.00 3.33 H new ATOM 0 HH21 ARG A 3 -12.255 -7.157 16.022 1.00 72.11 H new ATOM 0 HH22 ARG A 3 -13.590 -7.512 17.124 1.00 72.11 H new ATOM 35 N GLN A 4 -8.331 -0.317 16.251 1.00 4.23 N ATOM 36 CA GLN A 4 -7.411 0.158 15.224 1.00 21.31 C ATOM 37 C GLN A 4 -6.767 -1.012 14.487 1.00 31.35 C ATOM 38 O GLN A 4 -6.680 -2.120 15.017 1.00 73.44 O ATOM 39 CB GLN A 4 -6.329 1.041 15.847 1.00 3.14 C ATOM 40 CG GLN A 4 -6.635 2.528 15.766 1.00 73.33 C ATOM 41 CD GLN A 4 -5.483 3.331 15.195 1.00 72.33 C ATOM 42 OE1 GLN A 4 -5.504 3.726 14.029 1.00 74.23 O ATOM 43 NE2 GLN A 4 -4.469 3.577 16.015 1.00 23.15 N ATOM 0 H GLN A 4 -7.879 -0.637 17.107 1.00 4.23 H new ATOM 0 HA GLN A 4 -7.981 0.747 14.506 1.00 21.31 H new ATOM 0 HB2 GLN A 4 -6.201 0.761 16.893 1.00 3.14 H new ATOM 0 HB3 GLN A 4 -5.380 0.846 15.347 1.00 3.14 H new ATOM 0 HG2 GLN A 4 -7.520 2.680 15.148 1.00 73.33 H new ATOM 0 HG3 GLN A 4 -6.874 2.901 16.762 1.00 73.33 H new ATOM 0 HE21 GLN A 4 -4.493 3.230 16.974 1.00 23.15 H new ATOM 0 HE22 GLN A 4 -3.666 4.113 15.686 1.00 23.15 H new ATOM 52 N VAL A 5 -6.317 -0.758 13.263 1.00 61.53 N ATOM 53 CA VAL A 5 -5.680 -1.790 12.453 1.00 32.42 C ATOM 54 C VAL A 5 -4.346 -1.307 11.896 1.00 0.22 C ATOM 55 O VAL A 5 -4.105 -0.104 11.791 1.00 14.31 O ATOM 56 CB VAL A 5 -6.585 -2.225 11.285 1.00 43.35 C ATOM 57 CG1 VAL A 5 -7.917 -2.744 11.804 1.00 4.23 C ATOM 58 CG2 VAL A 5 -6.794 -1.070 10.316 1.00 32.41 C ATOM 0 H VAL A 5 -6.382 0.154 12.810 1.00 61.53 H new ATOM 0 HA VAL A 5 -5.508 -2.645 13.107 1.00 32.42 H new ATOM 0 HB VAL A 5 -6.092 -3.036 10.749 1.00 43.35 H new ATOM 0 HG11 VAL A 5 -8.542 -3.046 10.964 1.00 4.23 H new ATOM 0 HG12 VAL A 5 -7.745 -3.601 12.455 1.00 4.23 H new ATOM 0 HG13 VAL A 5 -8.420 -1.957 12.366 1.00 4.23 H new ATOM 0 HG21 VAL A 5 -7.436 -1.394 9.497 1.00 32.41 H new ATOM 0 HG22 VAL A 5 -7.265 -0.237 10.838 1.00 32.41 H new ATOM 0 HG23 VAL A 5 -5.831 -0.750 9.918 1.00 32.41 H new ATOM 68 N ILE A 6 -3.482 -2.252 11.541 1.00 52.35 N ATOM 69 CA ILE A 6 -2.173 -1.922 10.992 1.00 4.44 C ATOM 70 C ILE A 6 -2.241 -1.735 9.481 1.00 44.44 C ATOM 71 O ILE A 6 -3.064 -2.352 8.805 1.00 75.31 O ATOM 72 CB ILE A 6 -1.135 -3.013 11.317 1.00 11.53 C ATOM 73 CG1 ILE A 6 -1.122 -3.304 12.819 1.00 13.34 C ATOM 74 CG2 ILE A 6 0.247 -2.588 10.843 1.00 55.42 C ATOM 75 CD1 ILE A 6 -2.111 -4.369 13.237 1.00 74.33 C ATOM 0 H ILE A 6 -3.665 -3.252 11.624 1.00 52.35 H new ATOM 0 HA ILE A 6 -1.863 -0.986 11.457 1.00 4.44 H new ATOM 0 HB ILE A 6 -1.413 -3.926 10.791 1.00 11.53 H new ATOM 0 HG12 ILE A 6 -0.119 -3.616 13.112 1.00 13.34 H new ATOM 0 HG13 ILE A 6 -1.341 -2.384 13.361 1.00 13.34 H new ATOM 0 HG21 ILE A 6 0.969 -3.369 11.080 1.00 55.42 H new ATOM 0 HG22 ILE A 6 0.228 -2.426 9.765 1.00 55.42 H new ATOM 0 HG23 ILE A 6 0.535 -1.664 11.344 1.00 55.42 H new ATOM 0 HD11 ILE A 6 -2.046 -4.523 14.314 1.00 74.33 H new ATOM 0 HD12 ILE A 6 -3.120 -4.051 12.976 1.00 74.33 H new ATOM 0 HD13 ILE A 6 -1.880 -5.302 12.723 1.00 74.33 H new ATOM 87 N CYS A 7 -1.369 -0.881 8.956 1.00 43.30 N ATOM 88 CA CYS A 7 -1.329 -0.613 7.523 1.00 43.23 C ATOM 89 C CYS A 7 -0.634 -1.747 6.777 1.00 73.53 C ATOM 90 O CYS A 7 0.161 -2.488 7.355 1.00 61.12 O ATOM 91 CB CYS A 7 -0.609 0.709 7.250 1.00 70.22 C ATOM 92 SG CYS A 7 1.185 0.629 7.457 1.00 65.44 S ATOM 0 H CYS A 7 -0.680 -0.363 9.501 1.00 43.30 H new ATOM 0 HA CYS A 7 -2.355 -0.541 7.163 1.00 43.23 H new ATOM 0 HB2 CYS A 7 -0.833 1.029 6.232 1.00 70.22 H new ATOM 0 HB3 CYS A 7 -1.007 1.472 7.919 1.00 70.22 H new ATOM 0 HG CYS A 7 1.704 1.794 7.202 1.00 65.44 H new ATOM 98 N TRP A 8 -0.942 -1.878 5.491 1.00 24.34 N ATOM 99 CA TRP A 8 -0.348 -2.924 4.666 1.00 30.55 C ATOM 100 C TRP A 8 0.702 -2.345 3.725 1.00 60.21 C ATOM 101 O TRP A 8 0.382 -1.563 2.829 1.00 12.23 O ATOM 102 CB TRP A 8 -1.431 -3.644 3.861 1.00 15.14 C ATOM 103 CG TRP A 8 -2.365 -4.452 4.711 1.00 11.32 C ATOM 104 CD1 TRP A 8 -3.248 -3.976 5.639 1.00 64.52 C ATOM 105 CD2 TRP A 8 -2.507 -5.876 4.712 1.00 30.44 C ATOM 106 NE1 TRP A 8 -3.930 -5.020 6.217 1.00 64.13 N ATOM 107 CE2 TRP A 8 -3.494 -6.196 5.665 1.00 13.11 C ATOM 108 CE3 TRP A 8 -1.898 -6.913 4.000 1.00 1.02 C ATOM 109 CZ2 TRP A 8 -3.883 -7.508 5.922 1.00 0.24 C ATOM 110 CZ3 TRP A 8 -2.285 -8.215 4.257 1.00 3.50 C ATOM 111 CH2 TRP A 8 -3.270 -8.503 5.211 1.00 40.13 C ATOM 0 H TRP A 8 -1.599 -1.273 4.998 1.00 24.34 H new ATOM 0 HA TRP A 8 0.140 -3.640 5.327 1.00 30.55 H new ATOM 0 HB2 TRP A 8 -2.007 -2.908 3.300 1.00 15.14 H new ATOM 0 HB3 TRP A 8 -0.956 -4.300 3.132 1.00 15.14 H new ATOM 0 HD1 TRP A 8 -3.389 -2.933 5.882 1.00 64.52 H new ATOM 0 HE1 TRP A 8 -4.645 -4.933 6.940 1.00 64.13 H new ATOM 0 HE3 TRP A 8 -1.138 -6.701 3.262 1.00 1.02 H new ATOM 0 HZ2 TRP A 8 -4.642 -7.732 6.657 1.00 0.24 H new ATOM 0 HZ3 TRP A 8 -1.820 -9.024 3.713 1.00 3.50 H new ATOM 0 HH2 TRP A 8 -3.551 -9.531 5.388 1.00 40.13 H new ATOM 122 N CYS A 9 1.955 -2.734 3.933 1.00 41.24 N ATOM 123 CA CYS A 9 3.053 -2.252 3.102 1.00 52.34 C ATOM 124 C CYS A 9 3.406 -3.271 2.023 1.00 41.50 C ATOM 125 O CYS A 9 3.810 -4.394 2.324 1.00 71.13 O ATOM 126 CB CYS A 9 4.281 -1.957 3.964 1.00 41.24 C ATOM 127 SG CYS A 9 4.806 -3.343 4.999 1.00 44.10 S ATOM 0 H CYS A 9 2.236 -3.381 4.669 1.00 41.24 H new ATOM 0 HA CYS A 9 2.731 -1.332 2.615 1.00 52.34 H new ATOM 0 HB2 CYS A 9 5.107 -1.669 3.314 1.00 41.24 H new ATOM 0 HB3 CYS A 9 4.066 -1.101 4.604 1.00 41.24 H new ATOM 0 HG CYS A 9 3.912 -4.285 4.949 1.00 44.10 H new ATOM 133 N PHE A 10 3.250 -2.871 0.765 1.00 31.12 N ATOM 134 CA PHE A 10 3.550 -3.750 -0.359 1.00 73.20 C ATOM 135 C PHE A 10 4.371 -3.019 -1.417 1.00 74.13 C ATOM 136 O PHE A 10 4.426 -1.789 -1.437 1.00 53.14 O ATOM 137 CB PHE A 10 2.255 -4.281 -0.978 1.00 41.13 C ATOM 138 CG PHE A 10 1.656 -3.356 -1.999 1.00 34.03 C ATOM 139 CD1 PHE A 10 1.089 -2.152 -1.613 1.00 55.03 C ATOM 140 CD2 PHE A 10 1.660 -3.690 -3.343 1.00 73.43 C ATOM 141 CE1 PHE A 10 0.536 -1.300 -2.550 1.00 54.33 C ATOM 142 CE2 PHE A 10 1.109 -2.842 -4.285 1.00 14.21 C ATOM 143 CZ PHE A 10 0.547 -1.644 -3.888 1.00 33.32 C ATOM 0 H PHE A 10 2.918 -1.944 0.499 1.00 31.12 H new ATOM 0 HA PHE A 10 4.137 -4.589 0.014 1.00 73.20 H new ATOM 0 HB2 PHE A 10 2.454 -5.245 -1.445 1.00 41.13 H new ATOM 0 HB3 PHE A 10 1.527 -4.455 -0.185 1.00 41.13 H new ATOM 0 HD1 PHE A 10 1.079 -1.877 -0.569 1.00 55.03 H new ATOM 0 HD2 PHE A 10 2.099 -4.625 -3.659 1.00 73.43 H new ATOM 0 HE1 PHE A 10 0.095 -0.365 -2.236 1.00 54.33 H new ATOM 0 HE2 PHE A 10 1.118 -3.115 -5.330 1.00 14.21 H new ATOM 0 HZ PHE A 10 0.117 -0.978 -4.622 1.00 33.32 H new ATOM 153 N THR A 11 5.009 -3.785 -2.297 1.00 33.45 N ATOM 154 CA THR A 11 5.828 -3.212 -3.357 1.00 24.53 C ATOM 155 C THR A 11 5.457 -3.796 -4.715 1.00 71.01 C ATOM 156 O THR A 11 5.530 -5.008 -4.923 1.00 2.12 O ATOM 157 CB THR A 11 7.328 -3.453 -3.100 1.00 31.51 C ATOM 158 OG1 THR A 11 7.575 -3.545 -1.692 1.00 64.35 O ATOM 159 CG2 THR A 11 8.166 -2.332 -3.695 1.00 71.11 C ATOM 0 H THR A 11 4.974 -4.804 -2.296 1.00 33.45 H new ATOM 0 HA THR A 11 5.635 -2.139 -3.361 1.00 24.53 H new ATOM 0 HB THR A 11 7.611 -4.390 -3.580 1.00 31.51 H new ATOM 0 HG1 THR A 11 8.530 -3.699 -1.537 1.00 64.35 H new ATOM 0 HG21 THR A 11 9.221 -2.524 -3.501 1.00 71.11 H new ATOM 0 HG22 THR A 11 7.998 -2.284 -4.771 1.00 71.11 H new ATOM 0 HG23 THR A 11 7.880 -1.383 -3.240 1.00 71.11 H new ATOM 167 N LEU A 12 5.059 -2.927 -5.638 1.00 34.42 N ATOM 168 CA LEU A 12 4.676 -3.357 -6.979 1.00 2.15 C ATOM 169 C LEU A 12 5.721 -2.932 -8.005 1.00 63.22 C ATOM 170 O LEU A 12 6.019 -1.747 -8.148 1.00 60.25 O ATOM 171 CB LEU A 12 3.312 -2.775 -7.352 1.00 52.11 C ATOM 172 CG LEU A 12 2.840 -3.035 -8.783 1.00 60.31 C ATOM 173 CD1 LEU A 12 2.990 -4.507 -9.135 1.00 62.12 C ATOM 174 CD2 LEU A 12 1.396 -2.588 -8.958 1.00 42.45 C ATOM 0 H LEU A 12 4.993 -1.921 -5.483 1.00 34.42 H new ATOM 0 HA LEU A 12 4.612 -4.445 -6.981 1.00 2.15 H new ATOM 0 HB2 LEU A 12 2.567 -3.179 -6.666 1.00 52.11 H new ATOM 0 HB3 LEU A 12 3.343 -1.697 -7.191 1.00 52.11 H new ATOM 0 HG LEU A 12 3.464 -2.454 -9.462 1.00 60.31 H new ATOM 0 HD11 LEU A 12 2.649 -4.673 -10.157 1.00 62.12 H new ATOM 0 HD12 LEU A 12 4.037 -4.797 -9.050 1.00 62.12 H new ATOM 0 HD13 LEU A 12 2.391 -5.108 -8.451 1.00 62.12 H new ATOM 0 HD21 LEU A 12 1.077 -2.781 -9.982 1.00 42.45 H new ATOM 0 HD22 LEU A 12 0.758 -3.141 -8.269 1.00 42.45 H new ATOM 0 HD23 LEU A 12 1.317 -1.521 -8.748 1.00 42.45 H new ATOM 186 N ASN A 13 6.273 -3.908 -8.719 1.00 22.33 N ATOM 187 CA ASN A 13 7.284 -3.635 -9.734 1.00 30.30 C ATOM 188 C ASN A 13 6.691 -3.744 -11.135 1.00 54.33 C ATOM 189 O ASN A 13 5.965 -4.688 -11.441 1.00 75.44 O ATOM 190 CB ASN A 13 8.458 -4.606 -9.589 1.00 12.24 C ATOM 191 CG ASN A 13 8.945 -4.713 -8.157 1.00 21.45 C ATOM 192 OD1 ASN A 13 8.652 -5.686 -7.461 1.00 10.12 O ATOM 193 ND2 ASN A 13 9.693 -3.711 -7.709 1.00 61.44 N ATOM 0 H ASN A 13 6.037 -4.895 -8.613 1.00 22.33 H new ATOM 0 HA ASN A 13 7.643 -2.616 -9.588 1.00 30.30 H new ATOM 0 HB2 ASN A 13 8.156 -5.592 -9.942 1.00 12.24 H new ATOM 0 HB3 ASN A 13 9.279 -4.277 -10.226 1.00 12.24 H new ATOM 0 HD21 ASN A 13 10.049 -3.728 -6.753 1.00 61.44 H new ATOM 0 HD22 ASN A 13 9.911 -2.924 -8.321 1.00 61.44 H new ATOM 200 N ASN A 14 7.006 -2.769 -11.983 1.00 30.45 N ATOM 201 CA ASN A 14 6.504 -2.755 -13.352 1.00 23.02 C ATOM 202 C ASN A 14 4.990 -2.936 -13.378 1.00 55.41 C ATOM 203 O ASN A 14 4.467 -3.936 -13.870 1.00 41.12 O ATOM 204 CB ASN A 14 7.175 -3.857 -14.174 1.00 72.24 C ATOM 205 CG ASN A 14 8.628 -4.062 -13.791 1.00 52.22 C ATOM 206 OD1 ASN A 14 8.931 -4.582 -12.717 1.00 52.23 O ATOM 207 ND2 ASN A 14 9.535 -3.652 -14.671 1.00 34.15 N ATOM 0 H ASN A 14 7.606 -1.979 -11.746 1.00 30.45 H new ATOM 0 HA ASN A 14 6.744 -1.786 -13.791 1.00 23.02 H new ATOM 0 HB2 ASN A 14 6.631 -4.791 -14.036 1.00 72.24 H new ATOM 0 HB3 ASN A 14 7.113 -3.605 -15.233 1.00 72.24 H new ATOM 0 HD21 ASN A 14 10.529 -3.763 -14.469 1.00 34.15 H new ATOM 0 HD22 ASN A 14 9.238 -3.226 -15.549 1.00 34.15 H new ATOM 214 N PRO A 15 4.266 -1.944 -12.836 1.00 61.45 N ATOM 215 CA PRO A 15 2.801 -1.970 -12.786 1.00 42.34 C ATOM 216 C PRO A 15 2.171 -1.808 -14.166 1.00 22.04 C ATOM 217 O PRO A 15 2.668 -1.052 -15.002 1.00 12.14 O ATOM 218 CB PRO A 15 2.456 -0.773 -11.897 1.00 50.41 C ATOM 219 CG PRO A 15 3.615 0.153 -12.041 1.00 34.20 C ATOM 220 CD PRO A 15 4.822 -0.722 -12.232 1.00 24.42 C ATOM 0 HA PRO A 15 2.422 -2.921 -12.411 1.00 42.34 H new ATOM 0 HB2 PRO A 15 1.528 -0.298 -12.215 1.00 50.41 H new ATOM 0 HB3 PRO A 15 2.319 -1.077 -10.859 1.00 50.41 H new ATOM 0 HG2 PRO A 15 3.478 0.820 -12.892 1.00 34.20 H new ATOM 0 HG3 PRO A 15 3.725 0.782 -11.157 1.00 34.20 H new ATOM 0 HD2 PRO A 15 5.560 -0.252 -12.882 1.00 24.42 H new ATOM 0 HD3 PRO A 15 5.320 -0.932 -11.285 1.00 24.42 H new ATOM 228 N LEU A 16 1.075 -2.522 -14.397 1.00 42.04 N ATOM 229 CA LEU A 16 0.376 -2.457 -15.676 1.00 62.23 C ATOM 230 C LEU A 16 -0.680 -1.357 -15.664 1.00 74.12 C ATOM 231 O LEU A 16 -1.288 -1.055 -16.691 1.00 43.43 O ATOM 232 CB LEU A 16 -0.277 -3.804 -15.992 1.00 1.03 C ATOM 233 CG LEU A 16 0.088 -4.428 -17.339 1.00 41.32 C ATOM 234 CD1 LEU A 16 -0.340 -3.519 -18.481 1.00 71.53 C ATOM 235 CD2 LEU A 16 1.582 -4.708 -17.410 1.00 21.32 C ATOM 0 H LEU A 16 0.651 -3.152 -13.716 1.00 42.04 H new ATOM 0 HA LEU A 16 1.107 -2.224 -16.450 1.00 62.23 H new ATOM 0 HB2 LEU A 16 -0.010 -4.508 -15.204 1.00 1.03 H new ATOM 0 HB3 LEU A 16 -1.359 -3.678 -15.954 1.00 1.03 H new ATOM 0 HG LEU A 16 -0.444 -5.375 -17.435 1.00 41.32 H new ATOM 0 HD11 LEU A 16 -0.072 -3.979 -19.432 1.00 71.53 H new ATOM 0 HD12 LEU A 16 -1.419 -3.369 -18.442 1.00 71.53 H new ATOM 0 HD13 LEU A 16 0.164 -2.557 -18.389 1.00 71.53 H new ATOM 0 HD21 LEU A 16 1.823 -5.152 -18.376 1.00 21.32 H new ATOM 0 HD22 LEU A 16 2.133 -3.775 -17.292 1.00 21.32 H new ATOM 0 HD23 LEU A 16 1.861 -5.398 -16.614 1.00 21.32 H new ATOM 247 N SER A 17 -0.893 -0.761 -14.495 1.00 51.25 N ATOM 248 CA SER A 17 -1.877 0.305 -14.349 1.00 54.11 C ATOM 249 C SER A 17 -1.912 0.819 -12.913 1.00 32.10 C ATOM 250 O SER A 17 -1.464 0.155 -11.978 1.00 43.20 O ATOM 251 CB SER A 17 -3.265 -0.193 -14.758 1.00 63.42 C ATOM 252 OG SER A 17 -3.413 -1.575 -14.479 1.00 12.32 O ATOM 0 H SER A 17 -0.397 -0.998 -13.636 1.00 51.25 H new ATOM 0 HA SER A 17 -1.586 1.126 -15.004 1.00 54.11 H new ATOM 0 HB2 SER A 17 -4.029 0.373 -14.225 1.00 63.42 H new ATOM 0 HB3 SER A 17 -3.420 -0.015 -15.822 1.00 63.42 H new ATOM 0 HG SER A 17 -4.308 -1.869 -14.748 1.00 12.32 H new ATOM 258 N PRO A 18 -2.458 2.031 -12.732 1.00 70.31 N ATOM 259 CA PRO A 18 -2.566 2.662 -11.413 1.00 63.43 C ATOM 260 C PRO A 18 -3.582 1.962 -10.517 1.00 51.03 C ATOM 261 O PRO A 18 -4.506 1.308 -11.002 1.00 71.44 O ATOM 262 CB PRO A 18 -3.028 4.084 -11.737 1.00 54.34 C ATOM 263 CG PRO A 18 -3.727 3.966 -13.048 1.00 43.20 C ATOM 264 CD PRO A 18 -3.013 2.878 -13.801 1.00 44.11 C ATOM 0 HA PRO A 18 -1.626 2.620 -10.863 1.00 63.43 H new ATOM 0 HB2 PRO A 18 -3.695 4.469 -10.966 1.00 54.34 H new ATOM 0 HB3 PRO A 18 -2.183 4.770 -11.799 1.00 54.34 H new ATOM 0 HG2 PRO A 18 -4.779 3.718 -12.908 1.00 43.20 H new ATOM 0 HG3 PRO A 18 -3.691 4.908 -13.596 1.00 43.20 H new ATOM 0 HD2 PRO A 18 -3.694 2.320 -14.443 1.00 44.11 H new ATOM 0 HD3 PRO A 18 -2.229 3.281 -14.442 1.00 44.11 H new ATOM 272 N LEU A 19 -3.407 2.104 -9.208 1.00 44.33 N ATOM 273 CA LEU A 19 -4.309 1.486 -8.244 1.00 15.04 C ATOM 274 C LEU A 19 -5.559 2.337 -8.044 1.00 54.33 C ATOM 275 O LEU A 19 -5.635 3.468 -8.524 1.00 52.32 O ATOM 276 CB LEU A 19 -3.597 1.285 -6.905 1.00 30.40 C ATOM 277 CG LEU A 19 -2.131 0.859 -6.983 1.00 25.44 C ATOM 278 CD1 LEU A 19 -1.473 0.956 -5.615 1.00 12.33 C ATOM 279 CD2 LEU A 19 -2.014 -0.556 -7.532 1.00 53.55 C ATOM 0 H LEU A 19 -2.648 2.642 -8.790 1.00 44.33 H new ATOM 0 HA LEU A 19 -4.611 0.516 -8.638 1.00 15.04 H new ATOM 0 HB2 LEU A 19 -3.655 2.217 -6.342 1.00 30.40 H new ATOM 0 HB3 LEU A 19 -4.143 0.534 -6.335 1.00 30.40 H new ATOM 0 HG LEU A 19 -1.613 1.536 -7.663 1.00 25.44 H new ATOM 0 HD11 LEU A 19 -0.430 0.649 -5.690 1.00 12.33 H new ATOM 0 HD12 LEU A 19 -1.523 1.985 -5.259 1.00 12.33 H new ATOM 0 HD13 LEU A 19 -1.994 0.304 -4.914 1.00 12.33 H new ATOM 0 HD21 LEU A 19 -0.963 -0.842 -7.580 1.00 53.55 H new ATOM 0 HD22 LEU A 19 -2.548 -1.245 -6.878 1.00 53.55 H new ATOM 0 HD23 LEU A 19 -2.447 -0.595 -8.532 1.00 53.55 H new ATOM 291 N SER A 20 -6.537 1.787 -7.332 1.00 22.45 N ATOM 292 CA SER A 20 -7.784 2.495 -7.070 1.00 34.32 C ATOM 293 C SER A 20 -8.359 2.099 -5.713 1.00 12.10 C ATOM 294 O SER A 20 -8.079 1.015 -5.199 1.00 11.31 O ATOM 295 CB SER A 20 -8.803 2.201 -8.173 1.00 0.50 C ATOM 296 OG SER A 20 -8.282 2.532 -9.449 1.00 31.42 O ATOM 0 H SER A 20 -6.490 0.852 -6.926 1.00 22.45 H new ATOM 0 HA SER A 20 -7.570 3.564 -7.057 1.00 34.32 H new ATOM 0 HB2 SER A 20 -9.074 1.146 -8.150 1.00 0.50 H new ATOM 0 HB3 SER A 20 -9.715 2.769 -7.991 1.00 0.50 H new ATOM 0 HG SER A 20 -8.951 2.334 -10.137 1.00 31.42 H new ATOM 302 N LEU A 21 -9.164 2.985 -5.138 1.00 14.32 N ATOM 303 CA LEU A 21 -9.780 2.730 -3.840 1.00 52.41 C ATOM 304 C LEU A 21 -10.536 1.406 -3.847 1.00 31.42 C ATOM 305 O LEU A 21 -11.029 0.965 -4.886 1.00 3.01 O ATOM 306 CB LEU A 21 -10.731 3.871 -3.472 1.00 5.04 C ATOM 307 CG LEU A 21 -11.667 3.610 -2.291 1.00 61.33 C ATOM 308 CD1 LEU A 21 -10.880 3.535 -0.992 1.00 50.00 C ATOM 309 CD2 LEU A 21 -12.735 4.690 -2.209 1.00 12.23 C ATOM 0 H LEU A 21 -9.406 3.886 -5.550 1.00 14.32 H new ATOM 0 HA LEU A 21 -8.987 2.671 -3.094 1.00 52.41 H new ATOM 0 HB2 LEU A 21 -10.135 4.756 -3.249 1.00 5.04 H new ATOM 0 HB3 LEU A 21 -11.338 4.107 -4.346 1.00 5.04 H new ATOM 0 HG LEU A 21 -12.160 2.651 -2.448 1.00 61.33 H new ATOM 0 HD11 LEU A 21 -11.563 3.349 -0.163 1.00 50.00 H new ATOM 0 HD12 LEU A 21 -10.154 2.725 -1.053 1.00 50.00 H new ATOM 0 HD13 LEU A 21 -10.358 4.478 -0.828 1.00 50.00 H new ATOM 0 HD21 LEU A 21 -13.392 4.488 -1.363 1.00 12.23 H new ATOM 0 HD22 LEU A 21 -12.260 5.662 -2.076 1.00 12.23 H new ATOM 0 HD23 LEU A 21 -13.319 4.695 -3.129 1.00 12.23 H new ATOM 321 N HIS A 22 -10.626 0.775 -2.680 1.00 2.42 N ATOM 322 CA HIS A 22 -11.325 -0.498 -2.551 1.00 24.44 C ATOM 323 C HIS A 22 -12.552 -0.356 -1.656 1.00 20.44 C ATOM 324 O HIS A 22 -12.505 0.312 -0.623 1.00 20.34 O ATOM 325 CB HIS A 22 -10.386 -1.564 -1.984 1.00 0.14 C ATOM 326 CG HIS A 22 -10.848 -2.966 -2.237 1.00 52.34 C ATOM 327 ND1 HIS A 22 -10.796 -3.960 -1.283 1.00 50.22 N ATOM 328 CD2 HIS A 22 -11.375 -3.537 -3.346 1.00 32.25 C ATOM 329 CE1 HIS A 22 -11.269 -5.082 -1.794 1.00 32.51 C ATOM 330 NE2 HIS A 22 -11.628 -4.853 -3.044 1.00 51.11 N ATOM 0 H HIS A 22 -10.223 1.125 -1.811 1.00 2.42 H new ATOM 0 HA HIS A 22 -11.655 -0.805 -3.543 1.00 24.44 H new ATOM 0 HB2 HIS A 22 -9.396 -1.433 -2.420 1.00 0.14 H new ATOM 0 HB3 HIS A 22 -10.284 -1.412 -0.909 1.00 0.14 H new ATOM 0 HD2 HIS A 22 -11.562 -3.049 -4.291 1.00 32.25 H new ATOM 0 HE1 HIS A 22 -11.349 -6.027 -1.277 1.00 32.51 H new ATOM 0 HE2 HIS A 22 -12.028 -5.541 -3.682 1.00 51.11 H new ATOM 338 N ASP A 23 -13.649 -0.988 -2.059 1.00 63.12 N ATOM 339 CA ASP A 23 -14.889 -0.932 -1.294 1.00 24.54 C ATOM 340 C ASP A 23 -14.708 -1.571 0.080 1.00 11.42 C ATOM 341 O ASP A 23 -15.444 -1.266 1.019 1.00 73.14 O ATOM 342 CB ASP A 23 -16.014 -1.637 -2.053 1.00 41.11 C ATOM 343 CG ASP A 23 -16.606 -0.769 -3.146 1.00 74.20 C ATOM 344 OD1 ASP A 23 -17.201 0.278 -2.815 1.00 20.40 O ATOM 345 OD2 ASP A 23 -16.476 -1.137 -4.332 1.00 72.54 O ATOM 0 H ASP A 23 -13.705 -1.545 -2.912 1.00 63.12 H new ATOM 0 HA ASP A 23 -15.155 0.116 -1.156 1.00 24.54 H new ATOM 0 HB2 ASP A 23 -15.631 -2.558 -2.492 1.00 41.11 H new ATOM 0 HB3 ASP A 23 -16.799 -1.920 -1.352 1.00 41.11 H new ATOM 350 N SER A 24 -13.725 -2.458 0.190 1.00 23.03 N ATOM 351 CA SER A 24 -13.450 -3.143 1.448 1.00 35.01 C ATOM 352 C SER A 24 -12.524 -2.311 2.329 1.00 1.32 C ATOM 353 O SER A 24 -12.705 -2.238 3.544 1.00 12.31 O ATOM 354 CB SER A 24 -12.824 -4.513 1.181 1.00 33.11 C ATOM 355 OG SER A 24 -13.453 -5.157 0.086 1.00 13.34 O ATOM 0 H SER A 24 -13.105 -2.720 -0.577 1.00 23.03 H new ATOM 0 HA SER A 24 -14.396 -3.280 1.973 1.00 35.01 H new ATOM 0 HB2 SER A 24 -11.760 -4.396 0.976 1.00 33.11 H new ATOM 0 HB3 SER A 24 -12.910 -5.136 2.072 1.00 33.11 H new ATOM 0 HG SER A 24 -13.147 -6.087 0.034 1.00 13.34 H new ATOM 361 N MET A 25 -11.530 -1.685 1.707 1.00 53.13 N ATOM 362 CA MET A 25 -10.575 -0.856 2.433 1.00 32.45 C ATOM 363 C MET A 25 -11.230 0.436 2.911 1.00 23.13 C ATOM 364 O MET A 25 -12.429 0.643 2.723 1.00 4.41 O ATOM 365 CB MET A 25 -9.370 -0.534 1.548 1.00 22.42 C ATOM 366 CG MET A 25 -9.599 0.642 0.614 1.00 53.25 C ATOM 367 SD MET A 25 -8.078 1.219 -0.164 1.00 60.51 S ATOM 368 CE MET A 25 -7.606 -0.233 -1.102 1.00 12.22 C ATOM 0 H MET A 25 -11.365 -1.736 0.702 1.00 53.13 H new ATOM 0 HA MET A 25 -10.236 -1.415 3.305 1.00 32.45 H new ATOM 0 HB2 MET A 25 -8.510 -0.321 2.183 1.00 22.42 H new ATOM 0 HB3 MET A 25 -9.119 -1.414 0.956 1.00 22.42 H new ATOM 0 HG2 MET A 25 -10.311 0.353 -0.159 1.00 53.25 H new ATOM 0 HG3 MET A 25 -10.050 1.462 1.173 1.00 53.25 H new ATOM 0 HE1 MET A 25 -6.519 -0.290 -1.162 1.00 12.22 H new ATOM 0 HE2 MET A 25 -7.990 -1.126 -0.608 1.00 12.22 H new ATOM 0 HE3 MET A 25 -8.022 -0.168 -2.107 1.00 12.22 H new ATOM 378 N LYS A 26 -10.435 1.302 3.531 1.00 52.45 N ATOM 379 CA LYS A 26 -10.936 2.575 4.035 1.00 52.41 C ATOM 380 C LYS A 26 -10.045 3.728 3.583 1.00 14.21 C ATOM 381 O LYS A 26 -10.531 4.818 3.280 1.00 43.42 O ATOM 382 CB LYS A 26 -11.015 2.546 5.563 1.00 52.50 C ATOM 383 CG LYS A 26 -12.425 2.715 6.102 1.00 0.34 C ATOM 384 CD LYS A 26 -12.800 4.182 6.233 1.00 32.11 C ATOM 385 CE LYS A 26 -14.105 4.358 6.995 1.00 23.22 C ATOM 386 NZ LYS A 26 -15.280 4.394 6.082 1.00 51.34 N ATOM 0 H LYS A 26 -9.441 1.145 3.696 1.00 52.45 H new ATOM 0 HA LYS A 26 -11.935 2.731 3.628 1.00 52.41 H new ATOM 0 HB2 LYS A 26 -10.609 1.600 5.922 1.00 52.50 H new ATOM 0 HB3 LYS A 26 -10.383 3.338 5.966 1.00 52.50 H new ATOM 0 HG2 LYS A 26 -13.131 2.216 5.439 1.00 0.34 H new ATOM 0 HG3 LYS A 26 -12.504 2.230 7.075 1.00 0.34 H new ATOM 0 HD2 LYS A 26 -12.002 4.718 6.747 1.00 32.11 H new ATOM 0 HD3 LYS A 26 -12.894 4.625 5.241 1.00 32.11 H new ATOM 0 HE2 LYS A 26 -14.223 3.541 7.707 1.00 23.22 H new ATOM 0 HE3 LYS A 26 -14.066 5.281 7.573 1.00 23.22 H new ATOM 0 HZ1 LYS A 26 -16.149 4.515 6.640 1.00 51.34 H new ATOM 0 HZ2 LYS A 26 -15.180 5.189 5.419 1.00 51.34 H new ATOM 0 HZ3 LYS A 26 -15.332 3.503 5.548 1.00 51.34 H new ATOM 400 N TYR A 27 -8.741 3.480 3.539 1.00 33.23 N ATOM 401 CA TYR A 27 -7.783 4.498 3.125 1.00 21.40 C ATOM 402 C TYR A 27 -6.820 3.945 2.079 1.00 45.10 C ATOM 403 O TYR A 27 -6.422 2.781 2.137 1.00 24.23 O ATOM 404 CB TYR A 27 -7.000 5.013 4.334 1.00 40.02 C ATOM 405 CG TYR A 27 -6.621 6.473 4.232 1.00 41.21 C ATOM 406 CD1 TYR A 27 -7.576 7.441 3.945 1.00 72.43 C ATOM 407 CD2 TYR A 27 -5.308 6.885 4.422 1.00 42.43 C ATOM 408 CE1 TYR A 27 -7.235 8.776 3.850 1.00 65.21 C ATOM 409 CE2 TYR A 27 -4.957 8.219 4.330 1.00 34.52 C ATOM 410 CZ TYR A 27 -5.924 9.160 4.044 1.00 71.20 C ATOM 411 OH TYR A 27 -5.579 10.489 3.951 1.00 63.44 O ATOM 0 H TYR A 27 -8.323 2.583 3.785 1.00 33.23 H new ATOM 0 HA TYR A 27 -8.338 5.325 2.681 1.00 21.40 H new ATOM 0 HB2 TYR A 27 -7.597 4.863 5.234 1.00 40.02 H new ATOM 0 HB3 TYR A 27 -6.094 4.418 4.450 1.00 40.02 H new ATOM 0 HD1 TYR A 27 -8.603 7.144 3.794 1.00 72.43 H new ATOM 0 HD2 TYR A 27 -4.548 6.151 4.645 1.00 42.43 H new ATOM 0 HE1 TYR A 27 -7.990 9.515 3.625 1.00 65.21 H new ATOM 0 HE2 TYR A 27 -3.932 8.523 4.481 1.00 34.52 H new ATOM 0 HH TYR A 27 -4.607 10.581 4.036 1.00 63.44 H new ATOM 421 N LEU A 28 -6.448 4.789 1.123 1.00 62.13 N ATOM 422 CA LEU A 28 -5.530 4.387 0.062 1.00 10.22 C ATOM 423 C LEU A 28 -4.360 5.361 -0.043 1.00 75.35 C ATOM 424 O LEU A 28 -4.555 6.566 -0.204 1.00 65.31 O ATOM 425 CB LEU A 28 -6.268 4.311 -1.276 1.00 5.22 C ATOM 426 CG LEU A 28 -5.388 4.250 -2.525 1.00 25.13 C ATOM 427 CD1 LEU A 28 -4.306 3.193 -2.364 1.00 60.23 C ATOM 428 CD2 LEU A 28 -6.232 3.968 -3.759 1.00 10.41 C ATOM 0 H LEU A 28 -6.768 5.756 1.060 1.00 62.13 H new ATOM 0 HA LEU A 28 -5.137 3.401 0.309 1.00 10.22 H new ATOM 0 HB2 LEU A 28 -6.910 3.430 -1.265 1.00 5.22 H new ATOM 0 HB3 LEU A 28 -6.921 5.180 -1.358 1.00 5.22 H new ATOM 0 HG LEU A 28 -4.905 5.219 -2.654 1.00 25.13 H new ATOM 0 HD11 LEU A 28 -3.689 3.164 -3.262 1.00 60.23 H new ATOM 0 HD12 LEU A 28 -3.683 3.438 -1.504 1.00 60.23 H new ATOM 0 HD13 LEU A 28 -4.769 2.218 -2.210 1.00 60.23 H new ATOM 0 HD21 LEU A 28 -5.589 3.928 -4.638 1.00 10.41 H new ATOM 0 HD22 LEU A 28 -6.743 3.013 -3.640 1.00 10.41 H new ATOM 0 HD23 LEU A 28 -6.969 4.761 -3.884 1.00 10.41 H new ATOM 440 N VAL A 29 -3.145 4.830 0.046 1.00 72.52 N ATOM 441 CA VAL A 29 -1.944 5.651 -0.043 1.00 64.42 C ATOM 442 C VAL A 29 -0.844 4.933 -0.818 1.00 51.43 C ATOM 443 O VAL A 29 -0.429 3.833 -0.453 1.00 53.03 O ATOM 444 CB VAL A 29 -1.413 6.022 1.354 1.00 21.02 C ATOM 445 CG1 VAL A 29 -0.135 6.839 1.240 1.00 24.55 C ATOM 446 CG2 VAL A 29 -2.471 6.780 2.141 1.00 31.15 C ATOM 0 H VAL A 29 -2.967 3.835 0.180 1.00 72.52 H new ATOM 0 HA VAL A 29 -2.222 6.563 -0.572 1.00 64.42 H new ATOM 0 HB VAL A 29 -1.181 5.103 1.892 1.00 21.02 H new ATOM 0 HG11 VAL A 29 0.225 7.092 2.237 1.00 24.55 H new ATOM 0 HG12 VAL A 29 0.624 6.257 0.717 1.00 24.55 H new ATOM 0 HG13 VAL A 29 -0.337 7.755 0.684 1.00 24.55 H new ATOM 0 HG21 VAL A 29 -2.079 7.034 3.126 1.00 31.15 H new ATOM 0 HG22 VAL A 29 -2.736 7.694 1.609 1.00 31.15 H new ATOM 0 HG23 VAL A 29 -3.358 6.156 2.253 1.00 31.15 H new ATOM 456 N TYR A 30 -0.376 5.564 -1.889 1.00 65.14 N ATOM 457 CA TYR A 30 0.675 4.985 -2.718 1.00 44.22 C ATOM 458 C TYR A 30 1.479 6.076 -3.419 1.00 50.14 C ATOM 459 O TYR A 30 1.039 7.221 -3.514 1.00 51.43 O ATOM 460 CB TYR A 30 0.072 4.035 -3.754 1.00 10.10 C ATOM 461 CG TYR A 30 -0.434 4.735 -4.995 1.00 71.21 C ATOM 462 CD1 TYR A 30 -1.659 5.390 -4.997 1.00 11.24 C ATOM 463 CD2 TYR A 30 0.314 4.741 -6.166 1.00 53.23 C ATOM 464 CE1 TYR A 30 -2.125 6.030 -6.129 1.00 15.04 C ATOM 465 CE2 TYR A 30 -0.144 5.380 -7.303 1.00 32.24 C ATOM 466 CZ TYR A 30 -1.364 6.022 -7.279 1.00 14.31 C ATOM 467 OH TYR A 30 -1.825 6.660 -8.408 1.00 61.32 O ATOM 0 H TYR A 30 -0.707 6.476 -2.204 1.00 65.14 H new ATOM 0 HA TYR A 30 1.347 4.424 -2.068 1.00 44.22 H new ATOM 0 HB2 TYR A 30 0.824 3.301 -4.042 1.00 10.10 H new ATOM 0 HB3 TYR A 30 -0.751 3.486 -3.296 1.00 10.10 H new ATOM 0 HD1 TYR A 30 -2.257 5.399 -4.098 1.00 11.24 H new ATOM 0 HD2 TYR A 30 1.269 4.238 -6.188 1.00 53.23 H new ATOM 0 HE1 TYR A 30 -3.080 6.534 -6.113 1.00 15.04 H new ATOM 0 HE2 TYR A 30 0.450 5.376 -8.205 1.00 32.24 H new ATOM 0 HH TYR A 30 -1.170 6.561 -9.130 1.00 61.32 H new ATOM 477 N GLN A 31 2.659 5.710 -3.909 1.00 42.30 N ATOM 478 CA GLN A 31 3.525 6.657 -4.602 1.00 10.22 C ATOM 479 C GLN A 31 4.417 5.942 -5.610 1.00 64.45 C ATOM 480 O GLN A 31 4.720 4.758 -5.458 1.00 63.31 O ATOM 481 CB GLN A 31 4.385 7.424 -3.596 1.00 2.30 C ATOM 482 CG GLN A 31 5.835 7.576 -4.027 1.00 1.43 C ATOM 483 CD GLN A 31 6.636 8.451 -3.082 1.00 53.34 C ATOM 484 OE1 GLN A 31 6.095 9.360 -2.451 1.00 63.01 O ATOM 485 NE2 GLN A 31 7.932 8.181 -2.980 1.00 51.55 N ATOM 0 H GLN A 31 3.037 4.765 -3.839 1.00 42.30 H new ATOM 0 HA GLN A 31 2.892 7.362 -5.141 1.00 10.22 H new ATOM 0 HB2 GLN A 31 3.955 8.414 -3.443 1.00 2.30 H new ATOM 0 HB3 GLN A 31 4.352 6.910 -2.636 1.00 2.30 H new ATOM 0 HG2 GLN A 31 6.298 6.591 -4.085 1.00 1.43 H new ATOM 0 HG3 GLN A 31 5.869 8.003 -5.029 1.00 1.43 H new ATOM 0 HE21 GLN A 31 8.338 7.418 -3.522 1.00 51.55 H new ATOM 0 HE22 GLN A 31 8.521 8.736 -2.360 1.00 51.55 H new ATOM 494 N THR A 32 4.836 6.668 -6.643 1.00 20.54 N ATOM 495 CA THR A 32 5.692 6.102 -7.677 1.00 44.15 C ATOM 496 C THR A 32 7.164 6.360 -7.375 1.00 50.21 C ATOM 497 O THR A 32 7.533 7.445 -6.926 1.00 22.53 O ATOM 498 CB THR A 32 5.356 6.682 -9.064 1.00 74.12 C ATOM 499 OG1 THR A 32 4.077 6.204 -9.497 1.00 50.55 O ATOM 500 CG2 THR A 32 6.418 6.299 -10.084 1.00 33.45 C ATOM 0 H THR A 32 4.596 7.649 -6.785 1.00 20.54 H new ATOM 0 HA THR A 32 5.508 5.028 -7.686 1.00 44.15 H new ATOM 0 HB THR A 32 5.330 7.769 -8.982 1.00 74.12 H new ATOM 0 HG1 THR A 32 4.120 5.235 -9.638 1.00 50.55 H new ATOM 0 HG21 THR A 32 6.158 6.720 -11.055 1.00 33.45 H new ATOM 0 HG22 THR A 32 7.385 6.689 -9.766 1.00 33.45 H new ATOM 0 HG23 THR A 32 6.472 5.213 -10.162 1.00 33.45 H new ATOM 508 N GLU A 33 8.000 5.357 -7.625 1.00 53.13 N ATOM 509 CA GLU A 33 9.432 5.477 -7.379 1.00 51.41 C ATOM 510 C GLU A 33 10.234 4.906 -8.545 1.00 2.32 C ATOM 511 O GLU A 33 9.699 4.181 -9.382 1.00 63.44 O ATOM 512 CB GLU A 33 9.811 4.758 -6.083 1.00 64.43 C ATOM 513 CG GLU A 33 9.365 5.488 -4.828 1.00 44.40 C ATOM 514 CD GLU A 33 8.279 4.745 -4.075 1.00 24.11 C ATOM 515 OE1 GLU A 33 7.171 4.592 -4.629 1.00 31.33 O ATOM 516 OE2 GLU A 33 8.539 4.316 -2.931 1.00 21.10 O ATOM 0 H GLU A 33 7.710 4.453 -7.998 1.00 53.13 H new ATOM 0 HA GLU A 33 9.671 6.536 -7.281 1.00 51.41 H new ATOM 0 HB2 GLU A 33 9.371 3.761 -6.089 1.00 64.43 H new ATOM 0 HB3 GLU A 33 10.893 4.629 -6.053 1.00 64.43 H new ATOM 0 HG2 GLU A 33 10.223 5.632 -4.172 1.00 44.40 H new ATOM 0 HG3 GLU A 33 9.001 6.479 -5.099 1.00 44.40 H new ATOM 523 N GLN A 34 11.520 5.240 -8.591 1.00 12.54 N ATOM 524 CA GLN A 34 12.396 4.762 -9.654 1.00 15.02 C ATOM 525 C GLN A 34 13.466 3.828 -9.098 1.00 51.25 C ATOM 526 O GLN A 34 14.155 4.161 -8.135 1.00 33.41 O ATOM 527 CB GLN A 34 13.054 5.942 -10.371 1.00 54.00 C ATOM 528 CG GLN A 34 12.947 5.869 -11.886 1.00 11.43 C ATOM 529 CD GLN A 34 14.275 5.566 -12.550 1.00 42.45 C ATOM 530 OE1 GLN A 34 14.465 4.494 -13.124 1.00 71.44 O ATOM 531 NE2 GLN A 34 15.204 6.513 -12.477 1.00 30.44 N ATOM 0 H GLN A 34 11.978 5.840 -7.905 1.00 12.54 H new ATOM 0 HA GLN A 34 11.789 4.205 -10.368 1.00 15.02 H new ATOM 0 HB2 GLN A 34 12.594 6.868 -10.027 1.00 54.00 H new ATOM 0 HB3 GLN A 34 14.107 5.986 -10.091 1.00 54.00 H new ATOM 0 HG2 GLN A 34 12.225 5.100 -12.159 1.00 11.43 H new ATOM 0 HG3 GLN A 34 12.563 6.816 -12.265 1.00 11.43 H new ATOM 0 HE21 GLN A 34 15.004 7.387 -11.991 1.00 30.44 H new ATOM 0 HE22 GLN A 34 16.117 6.366 -12.907 1.00 30.44 H new ATOM 540 N GLY A 35 13.600 2.657 -9.714 1.00 34.14 N ATOM 541 CA GLY A 35 14.588 1.693 -9.266 1.00 74.31 C ATOM 542 C GLY A 35 14.828 0.595 -10.283 1.00 62.31 C ATOM 543 O GLY A 35 14.954 0.863 -11.477 1.00 42.52 O ATOM 0 H GLY A 35 13.042 2.359 -10.515 1.00 34.14 H new ATOM 0 HA2 GLY A 35 15.527 2.207 -9.063 1.00 74.31 H new ATOM 0 HA3 GLY A 35 14.258 1.249 -8.327 1.00 74.31 H new ATOM 547 N GLU A 36 14.894 -0.645 -9.809 1.00 35.43 N ATOM 548 CA GLU A 36 15.123 -1.787 -10.686 1.00 62.21 C ATOM 549 C GLU A 36 14.287 -1.673 -11.958 1.00 4.13 C ATOM 550 O GLU A 36 13.158 -1.184 -11.929 1.00 64.22 O ATOM 551 CB GLU A 36 14.791 -3.092 -9.960 1.00 34.14 C ATOM 552 CG GLU A 36 13.370 -3.145 -9.424 1.00 32.32 C ATOM 553 CD GLU A 36 13.060 -4.453 -8.721 1.00 11.42 C ATOM 554 OE1 GLU A 36 13.939 -4.958 -7.993 1.00 23.42 O ATOM 555 OE2 GLU A 36 11.937 -4.970 -8.899 1.00 40.40 O ATOM 0 H GLU A 36 14.792 -0.884 -8.823 1.00 35.43 H new ATOM 0 HA GLU A 36 16.177 -1.793 -10.964 1.00 62.21 H new ATOM 0 HB2 GLU A 36 14.944 -3.927 -10.643 1.00 34.14 H new ATOM 0 HB3 GLU A 36 15.488 -3.225 -9.132 1.00 34.14 H new ATOM 0 HG2 GLU A 36 13.216 -2.319 -8.730 1.00 32.32 H new ATOM 0 HG3 GLU A 36 12.670 -3.004 -10.247 1.00 32.32 H new ATOM 562 N ALA A 37 14.851 -2.127 -13.072 1.00 63.12 N ATOM 563 CA ALA A 37 14.159 -2.078 -14.354 1.00 13.23 C ATOM 564 C ALA A 37 13.940 -0.638 -14.805 1.00 11.45 C ATOM 565 O ALA A 37 13.623 0.235 -13.997 1.00 24.32 O ATOM 566 CB ALA A 37 12.829 -2.812 -14.264 1.00 23.43 C ATOM 0 H ALA A 37 15.786 -2.533 -13.113 1.00 63.12 H new ATOM 0 HA ALA A 37 14.786 -2.573 -15.096 1.00 13.23 H new ATOM 0 HB1 ALA A 37 12.323 -2.767 -15.228 1.00 23.43 H new ATOM 0 HB2 ALA A 37 13.006 -3.853 -13.995 1.00 23.43 H new ATOM 0 HB3 ALA A 37 12.205 -2.342 -13.504 1.00 23.43 H new ATOM 572 N GLY A 38 14.112 -0.395 -16.101 1.00 33.24 N ATOM 573 CA GLY A 38 13.930 0.941 -16.636 1.00 13.42 C ATOM 574 C GLY A 38 12.583 1.534 -16.270 1.00 44.10 C ATOM 575 O GLY A 38 12.423 2.753 -16.236 1.00 42.32 O ATOM 0 H GLY A 38 14.374 -1.100 -16.790 1.00 33.24 H new ATOM 0 HA2 GLY A 38 14.723 1.590 -16.263 1.00 13.42 H new ATOM 0 HA3 GLY A 38 14.027 0.911 -17.721 1.00 13.42 H new ATOM 579 N ASN A 39 11.612 0.669 -15.997 1.00 62.20 N ATOM 580 CA ASN A 39 10.272 1.114 -15.634 1.00 54.03 C ATOM 581 C ASN A 39 10.242 1.639 -14.202 1.00 52.43 C ATOM 582 O ASN A 39 11.287 1.850 -13.586 1.00 12.30 O ATOM 583 CB ASN A 39 9.271 -0.033 -15.789 1.00 62.25 C ATOM 584 CG ASN A 39 9.549 -0.880 -17.016 1.00 71.52 C ATOM 585 OD1 ASN A 39 9.764 -2.088 -16.914 1.00 62.33 O ATOM 586 ND2 ASN A 39 9.545 -0.249 -18.184 1.00 44.14 N ATOM 0 H ASN A 39 11.728 -0.344 -16.020 1.00 62.20 H new ATOM 0 HA ASN A 39 9.992 1.925 -16.306 1.00 54.03 H new ATOM 0 HB2 ASN A 39 9.304 -0.663 -14.900 1.00 62.25 H new ATOM 0 HB3 ASN A 39 8.262 0.375 -15.853 1.00 62.25 H new ATOM 0 HD21 ASN A 39 9.725 -0.767 -19.044 1.00 44.14 H new ATOM 0 HD22 ASN A 39 9.362 0.754 -18.221 1.00 44.14 H new ATOM 593 N ILE A 40 9.038 1.848 -13.679 1.00 62.23 N ATOM 594 CA ILE A 40 8.872 2.347 -12.320 1.00 25.32 C ATOM 595 C ILE A 40 8.095 1.355 -11.461 1.00 63.32 C ATOM 596 O ILE A 40 7.479 0.421 -11.976 1.00 22.11 O ATOM 597 CB ILE A 40 8.144 3.704 -12.303 1.00 23.30 C ATOM 598 CG1 ILE A 40 6.901 3.651 -13.192 1.00 75.25 C ATOM 599 CG2 ILE A 40 9.081 4.813 -12.758 1.00 32.00 C ATOM 600 CD1 ILE A 40 6.162 4.968 -13.277 1.00 13.10 C ATOM 0 H ILE A 40 8.164 1.679 -14.176 1.00 62.23 H new ATOM 0 HA ILE A 40 9.873 2.476 -11.907 1.00 25.32 H new ATOM 0 HB ILE A 40 7.828 3.918 -11.282 1.00 23.30 H new ATOM 0 HG12 ILE A 40 7.195 3.343 -14.195 1.00 75.25 H new ATOM 0 HG13 ILE A 40 6.223 2.887 -12.810 1.00 75.25 H new ATOM 0 HG21 ILE A 40 8.552 5.766 -12.741 1.00 32.00 H new ATOM 0 HG22 ILE A 40 9.939 4.862 -12.088 1.00 32.00 H new ATOM 0 HG23 ILE A 40 9.424 4.607 -13.772 1.00 32.00 H new ATOM 0 HD11 ILE A 40 5.292 4.856 -13.924 1.00 13.10 H new ATOM 0 HD12 ILE A 40 5.837 5.268 -12.281 1.00 13.10 H new ATOM 0 HD13 ILE A 40 6.824 5.731 -13.688 1.00 13.10 H new ATOM 612 N HIS A 41 8.127 1.564 -10.149 1.00 11.41 N ATOM 613 CA HIS A 41 7.423 0.690 -9.218 1.00 21.33 C ATOM 614 C HIS A 41 6.570 1.502 -8.248 1.00 51.34 C ATOM 615 O HIS A 41 6.873 2.660 -7.959 1.00 21.12 O ATOM 616 CB HIS A 41 8.420 -0.170 -8.440 1.00 71.34 C ATOM 617 CG HIS A 41 9.635 0.581 -7.989 1.00 72.44 C ATOM 618 ND1 HIS A 41 10.862 -0.019 -7.796 1.00 55.14 N ATOM 619 CD2 HIS A 41 9.807 1.890 -7.695 1.00 2.44 C ATOM 620 CE1 HIS A 41 11.736 0.889 -7.401 1.00 15.32 C ATOM 621 NE2 HIS A 41 11.121 2.056 -7.331 1.00 41.55 N ATOM 0 H HIS A 41 8.633 2.331 -9.707 1.00 11.41 H new ATOM 0 HA HIS A 41 6.766 0.040 -9.796 1.00 21.33 H new ATOM 0 HB2 HIS A 41 7.920 -0.593 -7.569 1.00 71.34 H new ATOM 0 HB3 HIS A 41 8.731 -1.006 -9.066 1.00 71.34 H new ATOM 0 HD1 HIS A 41 11.063 -1.009 -7.936 1.00 55.14 H new ATOM 0 HD2 HIS A 41 9.052 2.661 -7.738 1.00 2.44 H new ATOM 0 HE1 HIS A 41 12.776 0.708 -7.174 1.00 15.32 H new ATOM 629 N PHE A 42 5.501 0.889 -7.751 1.00 25.54 N ATOM 630 CA PHE A 42 4.603 1.555 -6.815 1.00 43.42 C ATOM 631 C PHE A 42 4.878 1.106 -5.383 1.00 42.31 C ATOM 632 O PHE A 42 5.123 -0.072 -5.128 1.00 63.53 O ATOM 633 CB PHE A 42 3.146 1.267 -7.181 1.00 52.22 C ATOM 634 CG PHE A 42 2.630 2.119 -8.306 1.00 24.02 C ATOM 635 CD1 PHE A 42 3.503 2.680 -9.224 1.00 5.55 C ATOM 636 CD2 PHE A 42 1.273 2.359 -8.445 1.00 32.41 C ATOM 637 CE1 PHE A 42 3.032 3.465 -10.260 1.00 25.51 C ATOM 638 CE2 PHE A 42 0.796 3.141 -9.479 1.00 40.44 C ATOM 639 CZ PHE A 42 1.677 3.696 -10.387 1.00 51.02 C ATOM 0 H PHE A 42 5.235 -0.069 -7.981 1.00 25.54 H new ATOM 0 HA PHE A 42 4.782 2.628 -6.881 1.00 43.42 H new ATOM 0 HB2 PHE A 42 3.050 0.217 -7.458 1.00 52.22 H new ATOM 0 HB3 PHE A 42 2.521 1.423 -6.302 1.00 52.22 H new ATOM 0 HD1 PHE A 42 4.564 2.502 -9.129 1.00 5.55 H new ATOM 0 HD2 PHE A 42 0.580 1.930 -7.737 1.00 32.41 H new ATOM 0 HE1 PHE A 42 3.723 3.897 -10.969 1.00 25.51 H new ATOM 0 HE2 PHE A 42 -0.265 3.318 -9.578 1.00 40.44 H new ATOM 0 HZ PHE A 42 1.306 4.310 -11.195 1.00 51.02 H new ATOM 649 N GLN A 43 4.836 2.055 -4.453 1.00 51.13 N ATOM 650 CA GLN A 43 5.082 1.757 -3.047 1.00 55.42 C ATOM 651 C GLN A 43 4.206 2.623 -2.147 1.00 5.14 C ATOM 652 O GLN A 43 3.955 3.790 -2.445 1.00 34.24 O ATOM 653 CB GLN A 43 6.557 1.976 -2.708 1.00 11.51 C ATOM 654 CG GLN A 43 7.404 0.721 -2.839 1.00 2.13 C ATOM 655 CD GLN A 43 7.724 0.091 -1.498 1.00 21.43 C ATOM 656 OE1 GLN A 43 8.630 0.533 -0.791 1.00 11.42 O ATOM 657 NE2 GLN A 43 6.980 -0.949 -1.140 1.00 22.53 N ATOM 0 H GLN A 43 4.634 3.036 -4.648 1.00 51.13 H new ATOM 0 HA GLN A 43 4.829 0.711 -2.873 1.00 55.42 H new ATOM 0 HB2 GLN A 43 6.961 2.747 -3.364 1.00 11.51 H new ATOM 0 HB3 GLN A 43 6.635 2.352 -1.688 1.00 11.51 H new ATOM 0 HG2 GLN A 43 6.879 -0.004 -3.461 1.00 2.13 H new ATOM 0 HG3 GLN A 43 8.334 0.967 -3.352 1.00 2.13 H new ATOM 0 HE21 GLN A 43 6.239 -1.283 -1.757 1.00 22.53 H new ATOM 0 HE22 GLN A 43 7.149 -1.414 -0.248 1.00 22.53 H new ATOM 666 N GLY A 44 3.745 2.043 -1.043 1.00 21.32 N ATOM 667 CA GLY A 44 2.902 2.776 -0.116 1.00 65.41 C ATOM 668 C GLY A 44 2.244 1.872 0.907 1.00 13.14 C ATOM 669 O GLY A 44 2.568 0.688 1.000 1.00 34.21 O ATOM 0 H GLY A 44 3.940 1.079 -0.774 1.00 21.32 H new ATOM 0 HA2 GLY A 44 3.501 3.527 0.399 1.00 65.41 H new ATOM 0 HA3 GLY A 44 2.132 3.310 -0.674 1.00 65.41 H new ATOM 673 N TYR A 45 1.318 2.431 1.679 1.00 41.22 N ATOM 674 CA TYR A 45 0.615 1.669 2.704 1.00 61.12 C ATOM 675 C TYR A 45 -0.894 1.725 2.485 1.00 22.33 C ATOM 676 O TYR A 45 -1.442 2.768 2.129 1.00 72.14 O ATOM 677 CB TYR A 45 0.960 2.205 4.094 1.00 25.53 C ATOM 678 CG TYR A 45 0.552 3.645 4.307 1.00 63.21 C ATOM 679 CD1 TYR A 45 -0.748 3.972 4.672 1.00 3.14 C ATOM 680 CD2 TYR A 45 1.466 4.678 4.141 1.00 10.34 C ATOM 681 CE1 TYR A 45 -1.126 5.287 4.867 1.00 24.41 C ATOM 682 CE2 TYR A 45 1.097 5.995 4.335 1.00 5.45 C ATOM 683 CZ TYR A 45 -0.199 6.294 4.698 1.00 53.50 C ATOM 684 OH TYR A 45 -0.571 7.605 4.891 1.00 43.42 O ATOM 0 H TYR A 45 1.037 3.409 1.614 1.00 41.22 H new ATOM 0 HA TYR A 45 0.936 0.630 2.633 1.00 61.12 H new ATOM 0 HB2 TYR A 45 0.473 1.583 4.845 1.00 25.53 H new ATOM 0 HB3 TYR A 45 2.034 2.113 4.253 1.00 25.53 H new ATOM 0 HD1 TYR A 45 -1.476 3.185 4.806 1.00 3.14 H new ATOM 0 HD2 TYR A 45 2.482 4.448 3.856 1.00 10.34 H new ATOM 0 HE1 TYR A 45 -2.141 5.524 5.150 1.00 24.41 H new ATOM 0 HE2 TYR A 45 1.820 6.786 4.203 1.00 5.45 H new ATOM 0 HH TYR A 45 0.199 8.190 4.733 1.00 43.42 H new ATOM 694 N ILE A 46 -1.559 0.595 2.703 1.00 65.14 N ATOM 695 CA ILE A 46 -3.004 0.515 2.532 1.00 62.43 C ATOM 696 C ILE A 46 -3.667 -0.117 3.751 1.00 73.54 C ATOM 697 O ILE A 46 -3.268 -1.191 4.200 1.00 65.14 O ATOM 698 CB ILE A 46 -3.378 -0.298 1.278 1.00 32.22 C ATOM 699 CG1 ILE A 46 -2.716 0.303 0.037 1.00 2.31 C ATOM 700 CG2 ILE A 46 -4.889 -0.345 1.109 1.00 54.41 C ATOM 701 CD1 ILE A 46 -2.760 -0.605 -1.172 1.00 13.12 C ATOM 0 H ILE A 46 -1.120 -0.277 2.998 1.00 65.14 H new ATOM 0 HA ILE A 46 -3.365 1.536 2.414 1.00 62.43 H new ATOM 0 HB ILE A 46 -3.014 -1.318 1.402 1.00 32.22 H new ATOM 0 HG12 ILE A 46 -3.209 1.244 -0.208 1.00 2.31 H new ATOM 0 HG13 ILE A 46 -1.677 0.538 0.267 1.00 2.31 H new ATOM 0 HG21 ILE A 46 -5.138 -0.923 0.219 1.00 54.41 H new ATOM 0 HG22 ILE A 46 -5.339 -0.815 1.984 1.00 54.41 H new ATOM 0 HG23 ILE A 46 -5.275 0.669 1.003 1.00 54.41 H new ATOM 0 HD11 ILE A 46 -2.272 -0.114 -2.014 1.00 13.12 H new ATOM 0 HD12 ILE A 46 -2.242 -1.537 -0.946 1.00 13.12 H new ATOM 0 HD13 ILE A 46 -3.797 -0.819 -1.428 1.00 13.12 H new ATOM 713 N GLU A 47 -4.684 0.556 4.280 1.00 71.32 N ATOM 714 CA GLU A 47 -5.404 0.058 5.446 1.00 1.55 C ATOM 715 C GLU A 47 -6.758 -0.520 5.045 1.00 64.13 C ATOM 716 O GLU A 47 -7.609 0.184 4.503 1.00 11.10 O ATOM 717 CB GLU A 47 -5.599 1.180 6.469 1.00 74.11 C ATOM 718 CG GLU A 47 -4.353 2.019 6.698 1.00 74.11 C ATOM 719 CD GLU A 47 -4.090 2.283 8.168 1.00 52.44 C ATOM 720 OE1 GLU A 47 -5.051 2.219 8.963 1.00 52.23 O ATOM 721 OE2 GLU A 47 -2.924 2.555 8.523 1.00 72.43 O ATOM 0 H GLU A 47 -5.028 1.446 3.920 1.00 71.32 H new ATOM 0 HA GLU A 47 -4.809 -0.737 5.896 1.00 1.55 H new ATOM 0 HB2 GLU A 47 -6.407 1.830 6.133 1.00 74.11 H new ATOM 0 HB3 GLU A 47 -5.913 0.745 7.418 1.00 74.11 H new ATOM 0 HG2 GLU A 47 -3.492 1.510 6.264 1.00 74.11 H new ATOM 0 HG3 GLU A 47 -4.458 2.970 6.175 1.00 74.11 H new ATOM 728 N MET A 48 -6.948 -1.808 5.314 1.00 4.41 N ATOM 729 CA MET A 48 -8.198 -2.481 4.981 1.00 25.14 C ATOM 730 C MET A 48 -9.266 -2.194 6.031 1.00 30.15 C ATOM 731 O MET A 48 -9.023 -1.471 6.998 1.00 71.10 O ATOM 732 CB MET A 48 -7.973 -3.990 4.864 1.00 12.04 C ATOM 733 CG MET A 48 -7.116 -4.386 3.673 1.00 31.42 C ATOM 734 SD MET A 48 -8.050 -5.270 2.409 1.00 40.31 S ATOM 735 CE MET A 48 -8.718 -3.902 1.464 1.00 30.52 C ATOM 0 H MET A 48 -6.253 -2.406 5.761 1.00 4.41 H new ATOM 0 HA MET A 48 -8.545 -2.097 4.022 1.00 25.14 H new ATOM 0 HB2 MET A 48 -7.500 -4.350 5.777 1.00 12.04 H new ATOM 0 HB3 MET A 48 -8.939 -4.488 4.788 1.00 12.04 H new ATOM 0 HG2 MET A 48 -6.675 -3.491 3.234 1.00 31.42 H new ATOM 0 HG3 MET A 48 -6.292 -5.012 4.015 1.00 31.42 H new ATOM 0 HE1 MET A 48 -9.785 -3.806 1.667 1.00 30.52 H new ATOM 0 HE2 MET A 48 -8.210 -2.981 1.749 1.00 30.52 H new ATOM 0 HE3 MET A 48 -8.566 -4.086 0.400 1.00 30.52 H new ATOM 745 N LYS A 49 -10.450 -2.765 5.836 1.00 41.43 N ATOM 746 CA LYS A 49 -11.556 -2.571 6.766 1.00 71.32 C ATOM 747 C LYS A 49 -11.123 -2.875 8.197 1.00 73.04 C ATOM 748 O LYS A 49 -11.191 -2.013 9.073 1.00 44.10 O ATOM 749 CB LYS A 49 -12.737 -3.464 6.379 1.00 71.25 C ATOM 750 CG LYS A 49 -14.091 -2.855 6.700 1.00 60.34 C ATOM 751 CD LYS A 49 -14.340 -1.592 5.892 1.00 21.24 C ATOM 752 CE LYS A 49 -15.311 -1.844 4.749 1.00 11.32 C ATOM 753 NZ LYS A 49 -15.370 -0.691 3.808 1.00 74.30 N ATOM 0 H LYS A 49 -10.668 -3.366 5.042 1.00 41.43 H new ATOM 0 HA LYS A 49 -11.865 -1.527 6.712 1.00 71.32 H new ATOM 0 HB2 LYS A 49 -12.687 -3.675 5.311 1.00 71.25 H new ATOM 0 HB3 LYS A 49 -12.645 -4.418 6.897 1.00 71.25 H new ATOM 0 HG2 LYS A 49 -14.876 -3.582 6.492 1.00 60.34 H new ATOM 0 HG3 LYS A 49 -14.144 -2.624 7.764 1.00 60.34 H new ATOM 0 HD2 LYS A 49 -14.738 -0.814 6.544 1.00 21.24 H new ATOM 0 HD3 LYS A 49 -13.395 -1.222 5.493 1.00 21.24 H new ATOM 0 HE2 LYS A 49 -15.009 -2.740 4.207 1.00 11.32 H new ATOM 0 HE3 LYS A 49 -16.305 -2.035 5.152 1.00 11.32 H new ATOM 0 HZ1 LYS A 49 -15.388 -1.042 2.829 1.00 74.30 H new ATOM 0 HZ2 LYS A 49 -16.230 -0.136 3.993 1.00 74.30 H new ATOM 0 HZ3 LYS A 49 -14.533 -0.089 3.944 1.00 74.30 H new ATOM 767 N LYS A 50 -10.678 -4.105 8.426 1.00 24.45 N ATOM 768 CA LYS A 50 -10.231 -4.523 9.750 1.00 4.00 C ATOM 769 C LYS A 50 -9.779 -5.980 9.737 1.00 12.03 C ATOM 770 O LYS A 50 -8.585 -6.270 9.810 1.00 61.15 O ATOM 771 CB LYS A 50 -11.353 -4.335 10.773 1.00 52.31 C ATOM 772 CG LYS A 50 -11.065 -3.254 11.801 1.00 62.05 C ATOM 773 CD LYS A 50 -12.306 -2.902 12.603 1.00 31.22 C ATOM 774 CE LYS A 50 -12.327 -1.429 12.980 1.00 54.34 C ATOM 775 NZ LYS A 50 -13.572 -0.756 12.516 1.00 51.44 N ATOM 0 H LYS A 50 -10.617 -4.831 7.712 1.00 24.45 H new ATOM 0 HA LYS A 50 -9.382 -3.900 10.033 1.00 4.00 H new ATOM 0 HB2 LYS A 50 -12.275 -4.088 10.247 1.00 52.31 H new ATOM 0 HB3 LYS A 50 -11.524 -5.279 11.290 1.00 52.31 H new ATOM 0 HG2 LYS A 50 -10.279 -3.593 12.476 1.00 62.05 H new ATOM 0 HG3 LYS A 50 -10.691 -2.362 11.298 1.00 62.05 H new ATOM 0 HD2 LYS A 50 -13.196 -3.143 12.022 1.00 31.22 H new ATOM 0 HD3 LYS A 50 -12.341 -3.510 13.507 1.00 31.22 H new ATOM 0 HE2 LYS A 50 -12.242 -1.330 14.062 1.00 54.34 H new ATOM 0 HE3 LYS A 50 -11.461 -0.930 12.545 1.00 54.34 H new ATOM 0 HZ1 LYS A 50 -13.548 0.246 12.792 1.00 51.44 H new ATOM 0 HZ2 LYS A 50 -13.641 -0.828 11.481 1.00 51.44 H new ATOM 0 HZ3 LYS A 50 -14.398 -1.215 12.951 1.00 51.44 H new ATOM 789 N ARG A 51 -10.741 -6.892 9.644 1.00 73.03 N ATOM 790 CA ARG A 51 -10.442 -8.319 9.621 1.00 0.31 C ATOM 791 C ARG A 51 -10.250 -8.811 8.190 1.00 73.42 C ATOM 792 O ARG A 51 -10.785 -9.851 7.802 1.00 42.10 O ATOM 793 CB ARG A 51 -11.565 -9.108 10.297 1.00 4.24 C ATOM 794 CG ARG A 51 -11.086 -10.369 10.998 1.00 72.14 C ATOM 795 CD ARG A 51 -12.250 -11.170 11.560 1.00 53.22 C ATOM 796 NE ARG A 51 -12.823 -12.074 10.566 1.00 32.13 N ATOM 797 CZ ARG A 51 -12.300 -13.256 10.260 1.00 21.01 C ATOM 798 NH1 ARG A 51 -11.198 -13.674 10.867 1.00 31.44 N ATOM 799 NH2 ARG A 51 -12.879 -14.022 9.345 1.00 73.41 N ATOM 0 H ARG A 51 -11.734 -6.668 9.583 1.00 73.03 H new ATOM 0 HA ARG A 51 -9.514 -8.479 10.169 1.00 0.31 H new ATOM 0 HB2 ARG A 51 -12.063 -8.465 11.023 1.00 4.24 H new ATOM 0 HB3 ARG A 51 -12.309 -9.379 9.548 1.00 4.24 H new ATOM 0 HG2 ARG A 51 -10.524 -10.985 10.297 1.00 72.14 H new ATOM 0 HG3 ARG A 51 -10.404 -10.101 11.805 1.00 72.14 H new ATOM 0 HD2 ARG A 51 -11.911 -11.746 12.421 1.00 53.22 H new ATOM 0 HD3 ARG A 51 -13.021 -10.487 11.916 1.00 53.22 H new ATOM 0 HE ARG A 51 -13.671 -11.782 10.080 1.00 32.13 H new ATOM 0 HH11 ARG A 51 -10.750 -13.087 11.571 1.00 31.44 H new ATOM 0 HH12 ARG A 51 -10.798 -14.582 10.630 1.00 31.44 H new ATOM 0 HH21 ARG A 51 -13.727 -13.704 8.876 1.00 73.41 H new ATOM 0 HH22 ARG A 51 -12.477 -14.929 9.111 1.00 73.41 H new ATOM 813 N THR A 52 -9.484 -8.058 7.407 1.00 1.44 N ATOM 814 CA THR A 52 -9.223 -8.416 6.019 1.00 1.21 C ATOM 815 C THR A 52 -7.805 -8.949 5.846 1.00 52.31 C ATOM 816 O THR A 52 -6.831 -8.226 6.052 1.00 4.32 O ATOM 817 CB THR A 52 -9.425 -7.211 5.081 1.00 65.14 C ATOM 818 OG1 THR A 52 -10.172 -6.189 5.749 1.00 0.01 O ATOM 819 CG2 THR A 52 -10.151 -7.630 3.811 1.00 10.32 C ATOM 0 H THR A 52 -9.033 -7.195 7.711 1.00 1.44 H new ATOM 0 HA THR A 52 -9.936 -9.197 5.754 1.00 1.21 H new ATOM 0 HB THR A 52 -8.444 -6.822 4.808 1.00 65.14 H new ATOM 0 HG1 THR A 52 -10.694 -5.683 5.092 1.00 0.01 H new ATOM 0 HG21 THR A 52 -10.282 -6.763 3.164 1.00 10.32 H new ATOM 0 HG22 THR A 52 -9.565 -8.386 3.289 1.00 10.32 H new ATOM 0 HG23 THR A 52 -11.127 -8.042 4.069 1.00 10.32 H new ATOM 827 N SER A 53 -7.697 -10.218 5.465 1.00 13.33 N ATOM 828 CA SER A 53 -6.398 -10.848 5.267 1.00 24.43 C ATOM 829 C SER A 53 -5.773 -10.403 3.949 1.00 44.32 C ATOM 830 O SER A 53 -6.362 -9.621 3.202 1.00 52.33 O ATOM 831 CB SER A 53 -6.538 -12.372 5.289 1.00 3.32 C ATOM 832 OG SER A 53 -7.762 -12.780 4.704 1.00 41.34 O ATOM 0 H SER A 53 -8.494 -10.830 5.287 1.00 13.33 H new ATOM 0 HA SER A 53 -5.744 -10.538 6.082 1.00 24.43 H new ATOM 0 HB2 SER A 53 -5.705 -12.825 4.751 1.00 3.32 H new ATOM 0 HB3 SER A 53 -6.485 -12.730 6.317 1.00 3.32 H new ATOM 0 HG SER A 53 -7.827 -13.758 4.729 1.00 41.34 H new ATOM 838 N LEU A 54 -4.575 -10.905 3.669 1.00 32.44 N ATOM 839 CA LEU A 54 -3.868 -10.560 2.441 1.00 72.11 C ATOM 840 C LEU A 54 -4.749 -10.802 1.219 1.00 21.13 C ATOM 841 O LEU A 54 -4.617 -10.122 0.202 1.00 13.34 O ATOM 842 CB LEU A 54 -2.579 -11.376 2.324 1.00 14.14 C ATOM 843 CG LEU A 54 -1.697 -11.068 1.114 1.00 12.11 C ATOM 844 CD1 LEU A 54 -1.385 -9.581 1.046 1.00 70.14 C ATOM 845 CD2 LEU A 54 -0.413 -11.882 1.169 1.00 21.42 C ATOM 0 H LEU A 54 -4.073 -11.553 4.276 1.00 32.44 H new ATOM 0 HA LEU A 54 -3.617 -9.500 2.481 1.00 72.11 H new ATOM 0 HB2 LEU A 54 -1.990 -11.218 3.227 1.00 14.14 H new ATOM 0 HB3 LEU A 54 -2.843 -12.433 2.296 1.00 14.14 H new ATOM 0 HG LEU A 54 -2.241 -11.346 0.211 1.00 12.11 H new ATOM 0 HD11 LEU A 54 -0.756 -9.380 0.179 1.00 70.14 H new ATOM 0 HD12 LEU A 54 -2.314 -9.018 0.959 1.00 70.14 H new ATOM 0 HD13 LEU A 54 -0.861 -9.277 1.952 1.00 70.14 H new ATOM 0 HD21 LEU A 54 0.202 -11.650 0.300 1.00 21.42 H new ATOM 0 HD22 LEU A 54 0.135 -11.636 2.078 1.00 21.42 H new ATOM 0 HD23 LEU A 54 -0.656 -12.945 1.168 1.00 21.42 H new ATOM 857 N ALA A 55 -5.648 -11.774 1.328 1.00 73.50 N ATOM 858 CA ALA A 55 -6.554 -12.103 0.234 1.00 23.30 C ATOM 859 C ALA A 55 -7.312 -10.869 -0.241 1.00 40.51 C ATOM 860 O ALA A 55 -7.643 -10.747 -1.420 1.00 11.34 O ATOM 861 CB ALA A 55 -7.528 -13.190 0.664 1.00 63.33 C ATOM 0 H ALA A 55 -5.769 -12.348 2.163 1.00 73.50 H new ATOM 0 HA ALA A 55 -5.958 -12.474 -0.600 1.00 23.30 H new ATOM 0 HB1 ALA A 55 -8.198 -13.426 -0.163 1.00 63.33 H new ATOM 0 HB2 ALA A 55 -6.973 -14.084 0.947 1.00 63.33 H new ATOM 0 HB3 ALA A 55 -8.111 -12.840 1.516 1.00 63.33 H new ATOM 867 N GLY A 56 -7.585 -9.954 0.685 1.00 22.31 N ATOM 868 CA GLY A 56 -8.303 -8.741 0.341 1.00 31.21 C ATOM 869 C GLY A 56 -7.467 -7.788 -0.489 1.00 4.54 C ATOM 870 O GLY A 56 -7.939 -7.246 -1.488 1.00 4.13 O ATOM 0 H GLY A 56 -7.321 -10.032 1.667 1.00 22.31 H new ATOM 0 HA2 GLY A 56 -9.207 -9.001 -0.210 1.00 31.21 H new ATOM 0 HA3 GLY A 56 -8.621 -8.239 1.255 1.00 31.21 H new ATOM 874 N MET A 57 -6.221 -7.580 -0.073 1.00 73.42 N ATOM 875 CA MET A 57 -5.317 -6.685 -0.786 1.00 15.35 C ATOM 876 C MET A 57 -4.867 -7.303 -2.105 1.00 71.50 C ATOM 877 O MET A 57 -4.914 -6.659 -3.153 1.00 4.21 O ATOM 878 CB MET A 57 -4.099 -6.360 0.081 1.00 52.20 C ATOM 879 CG MET A 57 -4.447 -5.639 1.373 1.00 14.31 C ATOM 880 SD MET A 57 -4.339 -3.846 1.219 1.00 45.42 S ATOM 881 CE MET A 57 -5.798 -3.501 0.240 1.00 53.31 C ATOM 0 H MET A 57 -5.815 -8.019 0.753 1.00 73.42 H new ATOM 0 HA MET A 57 -5.856 -5.763 -1.004 1.00 15.35 H new ATOM 0 HB2 MET A 57 -3.577 -7.286 0.321 1.00 52.20 H new ATOM 0 HB3 MET A 57 -3.408 -5.744 -0.494 1.00 52.20 H new ATOM 0 HG2 MET A 57 -5.457 -5.913 1.677 1.00 14.31 H new ATOM 0 HG3 MET A 57 -3.775 -5.973 2.163 1.00 14.31 H new ATOM 0 HE1 MET A 57 -5.499 -3.189 -0.761 1.00 53.31 H new ATOM 0 HE2 MET A 57 -6.411 -4.400 0.172 1.00 53.31 H new ATOM 0 HE3 MET A 57 -6.373 -2.704 0.712 1.00 53.31 H new ATOM 891 N LYS A 58 -4.431 -8.557 -2.047 1.00 23.10 N ATOM 892 CA LYS A 58 -3.972 -9.264 -3.237 1.00 35.10 C ATOM 893 C LYS A 58 -5.053 -9.274 -4.314 1.00 3.21 C ATOM 894 O LYS A 58 -4.753 -9.292 -5.508 1.00 54.01 O ATOM 895 CB LYS A 58 -3.578 -10.700 -2.882 1.00 52.33 C ATOM 896 CG LYS A 58 -2.357 -11.199 -3.635 1.00 2.52 C ATOM 897 CD LYS A 58 -1.285 -11.705 -2.684 1.00 62.24 C ATOM 898 CE LYS A 58 -1.789 -12.869 -1.845 1.00 70.11 C ATOM 899 NZ LYS A 58 -2.130 -14.051 -2.684 1.00 74.11 N ATOM 0 H LYS A 58 -4.386 -9.105 -1.188 1.00 23.10 H new ATOM 0 HA LYS A 58 -3.099 -8.740 -3.627 1.00 35.10 H new ATOM 0 HB2 LYS A 58 -3.384 -10.761 -1.811 1.00 52.33 H new ATOM 0 HB3 LYS A 58 -4.419 -11.361 -3.091 1.00 52.33 H new ATOM 0 HG2 LYS A 58 -2.649 -11.999 -4.315 1.00 2.52 H new ATOM 0 HG3 LYS A 58 -1.951 -10.393 -4.247 1.00 2.52 H new ATOM 0 HD2 LYS A 58 -0.410 -12.018 -3.254 1.00 62.24 H new ATOM 0 HD3 LYS A 58 -0.966 -10.894 -2.029 1.00 62.24 H new ATOM 0 HE2 LYS A 58 -1.028 -13.148 -1.117 1.00 70.11 H new ATOM 0 HE3 LYS A 58 -2.669 -12.557 -1.282 1.00 70.11 H new ATOM 0 HZ1 LYS A 58 -2.306 -14.873 -2.071 1.00 74.11 H new ATOM 0 HZ2 LYS A 58 -2.983 -13.846 -3.242 1.00 74.11 H new ATOM 0 HZ3 LYS A 58 -1.339 -14.261 -3.326 1.00 74.11 H new ATOM 913 N LYS A 59 -6.310 -9.260 -3.884 1.00 60.04 N ATOM 914 CA LYS A 59 -7.436 -9.264 -4.811 1.00 64.32 C ATOM 915 C LYS A 59 -7.376 -8.060 -5.745 1.00 51.31 C ATOM 916 O LYS A 59 -7.810 -8.131 -6.896 1.00 33.24 O ATOM 917 CB LYS A 59 -8.758 -9.260 -4.040 1.00 64.32 C ATOM 918 CG LYS A 59 -9.332 -10.648 -3.810 1.00 5.42 C ATOM 919 CD LYS A 59 -10.165 -11.110 -4.993 1.00 51.33 C ATOM 920 CE LYS A 59 -11.620 -10.690 -4.848 1.00 61.10 C ATOM 921 NZ LYS A 59 -12.527 -11.540 -5.668 1.00 22.31 N ATOM 0 H LYS A 59 -6.575 -9.246 -2.899 1.00 60.04 H new ATOM 0 HA LYS A 59 -7.376 -10.171 -5.412 1.00 64.32 H new ATOM 0 HB2 LYS A 59 -8.605 -8.775 -3.076 1.00 64.32 H new ATOM 0 HB3 LYS A 59 -9.486 -8.661 -4.587 1.00 64.32 H new ATOM 0 HG2 LYS A 59 -8.520 -11.354 -3.638 1.00 5.42 H new ATOM 0 HG3 LYS A 59 -9.947 -10.644 -2.910 1.00 5.42 H new ATOM 0 HD2 LYS A 59 -9.755 -10.693 -5.913 1.00 51.33 H new ATOM 0 HD3 LYS A 59 -10.105 -12.195 -5.080 1.00 51.33 H new ATOM 0 HE2 LYS A 59 -11.913 -10.752 -3.800 1.00 61.10 H new ATOM 0 HE3 LYS A 59 -11.729 -9.648 -5.148 1.00 61.10 H new ATOM 0 HZ1 LYS A 59 -13.509 -11.222 -5.542 1.00 22.31 H new ATOM 0 HZ2 LYS A 59 -12.264 -11.461 -6.671 1.00 22.31 H new ATOM 0 HZ3 LYS A 59 -12.442 -12.531 -5.365 1.00 22.31 H new ATOM 935 N LEU A 60 -6.835 -6.955 -5.244 1.00 40.21 N ATOM 936 CA LEU A 60 -6.717 -5.734 -6.035 1.00 20.35 C ATOM 937 C LEU A 60 -5.508 -5.801 -6.962 1.00 71.13 C ATOM 938 O LEU A 60 -5.566 -5.350 -8.107 1.00 11.14 O ATOM 939 CB LEU A 60 -6.602 -4.517 -5.115 1.00 71.03 C ATOM 940 CG LEU A 60 -7.895 -4.063 -4.437 1.00 74.53 C ATOM 941 CD1 LEU A 60 -8.247 -4.991 -3.284 1.00 53.24 C ATOM 942 CD2 LEU A 60 -7.767 -2.628 -3.949 1.00 44.12 C ATOM 0 H LEU A 60 -6.471 -6.879 -4.294 1.00 40.21 H new ATOM 0 HA LEU A 60 -7.615 -5.637 -6.646 1.00 20.35 H new ATOM 0 HB2 LEU A 60 -5.868 -4.740 -4.340 1.00 71.03 H new ATOM 0 HB3 LEU A 60 -6.208 -3.683 -5.696 1.00 71.03 H new ATOM 0 HG LEU A 60 -8.701 -4.105 -5.170 1.00 74.53 H new ATOM 0 HD11 LEU A 60 -9.170 -4.652 -2.813 1.00 53.24 H new ATOM 0 HD12 LEU A 60 -8.383 -6.005 -3.661 1.00 53.24 H new ATOM 0 HD13 LEU A 60 -7.441 -4.982 -2.550 1.00 53.24 H new ATOM 0 HD21 LEU A 60 -8.697 -2.323 -3.469 1.00 44.12 H new ATOM 0 HD22 LEU A 60 -6.949 -2.559 -3.232 1.00 44.12 H new ATOM 0 HD23 LEU A 60 -7.563 -1.973 -4.796 1.00 44.12 H new ATOM 954 N ILE A 61 -4.416 -6.368 -6.462 1.00 63.41 N ATOM 955 CA ILE A 61 -3.194 -6.497 -7.247 1.00 75.15 C ATOM 956 C ILE A 61 -2.541 -7.857 -7.029 1.00 31.52 C ATOM 957 O ILE A 61 -1.536 -7.986 -6.330 1.00 45.22 O ATOM 958 CB ILE A 61 -2.181 -5.391 -6.898 1.00 31.32 C ATOM 959 CG1 ILE A 61 -2.821 -4.012 -7.064 1.00 14.44 C ATOM 960 CG2 ILE A 61 -0.941 -5.514 -7.771 1.00 31.14 C ATOM 961 CD1 ILE A 61 -3.467 -3.489 -5.799 1.00 73.44 C ATOM 0 H ILE A 61 -4.352 -6.746 -5.517 1.00 63.41 H new ATOM 0 HA ILE A 61 -3.480 -6.398 -8.294 1.00 75.15 H new ATOM 0 HB ILE A 61 -1.882 -5.509 -5.857 1.00 31.32 H new ATOM 0 HG12 ILE A 61 -2.060 -3.304 -7.393 1.00 14.44 H new ATOM 0 HG13 ILE A 61 -3.572 -4.062 -7.852 1.00 14.44 H new ATOM 0 HG21 ILE A 61 -0.234 -4.725 -7.513 1.00 31.14 H new ATOM 0 HG22 ILE A 61 -0.476 -6.486 -7.607 1.00 31.14 H new ATOM 0 HG23 ILE A 61 -1.223 -5.419 -8.819 1.00 31.14 H new ATOM 0 HD11 ILE A 61 -3.900 -2.507 -5.991 1.00 73.44 H new ATOM 0 HD12 ILE A 61 -4.251 -4.176 -5.480 1.00 73.44 H new ATOM 0 HD13 ILE A 61 -2.715 -3.407 -5.014 1.00 73.44 H new ATOM 973 N PRO A 62 -3.124 -8.899 -7.641 1.00 44.14 N ATOM 974 CA PRO A 62 -2.614 -10.269 -7.531 1.00 5.23 C ATOM 975 C PRO A 62 -1.288 -10.455 -8.261 1.00 51.34 C ATOM 976 O PRO A 62 -1.252 -10.554 -9.487 1.00 54.11 O ATOM 977 CB PRO A 62 -3.710 -11.110 -8.190 1.00 2.34 C ATOM 978 CG PRO A 62 -4.387 -10.177 -9.133 1.00 53.11 C ATOM 979 CD PRO A 62 -4.325 -8.819 -8.490 1.00 24.34 C ATOM 0 HA PRO A 62 -2.410 -10.546 -6.497 1.00 5.23 H new ATOM 0 HB2 PRO A 62 -3.289 -11.968 -8.715 1.00 2.34 H new ATOM 0 HB3 PRO A 62 -4.408 -11.501 -7.450 1.00 2.34 H new ATOM 0 HG2 PRO A 62 -3.889 -10.173 -10.102 1.00 53.11 H new ATOM 0 HG3 PRO A 62 -5.420 -10.479 -9.307 1.00 53.11 H new ATOM 0 HD2 PRO A 62 -4.240 -8.026 -9.233 1.00 24.34 H new ATOM 0 HD3 PRO A 62 -5.219 -8.611 -7.903 1.00 24.34 H new ATOM 987 N GLY A 63 -0.199 -10.501 -7.500 1.00 30.41 N ATOM 988 CA GLY A 63 1.114 -10.676 -8.093 1.00 51.40 C ATOM 989 C GLY A 63 2.109 -9.638 -7.614 1.00 1.45 C ATOM 990 O GLY A 63 2.936 -9.156 -8.388 1.00 34.22 O ATOM 0 H GLY A 63 -0.203 -10.420 -6.483 1.00 30.41 H new ATOM 0 HA2 GLY A 63 1.488 -11.671 -7.853 1.00 51.40 H new ATOM 0 HA3 GLY A 63 1.030 -10.620 -9.178 1.00 51.40 H new ATOM 994 N ALA A 64 2.029 -9.290 -6.333 1.00 60.51 N ATOM 995 CA ALA A 64 2.930 -8.303 -5.751 1.00 60.35 C ATOM 996 C ALA A 64 3.445 -8.764 -4.392 1.00 14.42 C ATOM 997 O ALA A 64 2.978 -9.764 -3.846 1.00 72.02 O ATOM 998 CB ALA A 64 2.229 -6.959 -5.625 1.00 42.32 C ATOM 0 H ALA A 64 1.349 -9.677 -5.679 1.00 60.51 H new ATOM 0 HA ALA A 64 3.787 -8.192 -6.416 1.00 60.35 H new ATOM 0 HB1 ALA A 64 2.913 -6.231 -5.189 1.00 42.32 H new ATOM 0 HB2 ALA A 64 1.917 -6.618 -6.612 1.00 42.32 H new ATOM 0 HB3 ALA A 64 1.354 -7.064 -4.984 1.00 42.32 H new ATOM 1004 N HIS A 65 4.410 -8.028 -3.849 1.00 52.25 N ATOM 1005 CA HIS A 65 4.988 -8.361 -2.553 1.00 20.15 C ATOM 1006 C HIS A 65 4.296 -7.588 -1.434 1.00 52.22 C ATOM 1007 O HIS A 65 4.428 -6.368 -1.335 1.00 3.20 O ATOM 1008 CB HIS A 65 6.487 -8.059 -2.546 1.00 13.53 C ATOM 1009 CG HIS A 65 7.240 -8.789 -1.477 1.00 44.12 C ATOM 1010 ND1 HIS A 65 8.473 -9.370 -1.689 1.00 74.50 N ATOM 1011 CD2 HIS A 65 6.930 -9.029 -0.182 1.00 4.03 C ATOM 1012 CE1 HIS A 65 8.887 -9.938 -0.571 1.00 21.25 C ATOM 1013 NE2 HIS A 65 7.970 -9.745 0.360 1.00 54.03 N ATOM 0 H HIS A 65 4.808 -7.197 -4.287 1.00 52.25 H new ATOM 0 HA HIS A 65 4.839 -9.427 -2.380 1.00 20.15 H new ATOM 0 HB2 HIS A 65 6.906 -8.320 -3.517 1.00 13.53 H new ATOM 0 HB3 HIS A 65 6.633 -6.987 -2.414 1.00 13.53 H new ATOM 0 HD2 HIS A 65 6.032 -8.716 0.330 1.00 4.03 H new ATOM 0 HE1 HIS A 65 9.818 -10.470 -0.440 1.00 21.25 H new ATOM 0 HE2 HIS A 65 8.025 -10.074 1.324 1.00 54.03 H new ATOM 1021 N PHE A 66 3.557 -8.306 -0.595 1.00 13.53 N ATOM 1022 CA PHE A 66 2.842 -7.687 0.516 1.00 41.45 C ATOM 1023 C PHE A 66 3.425 -8.133 1.853 1.00 15.35 C ATOM 1024 O PHE A 66 4.072 -9.175 1.943 1.00 32.31 O ATOM 1025 CB PHE A 66 1.354 -8.038 0.451 1.00 23.15 C ATOM 1026 CG PHE A 66 0.519 -6.989 -0.226 1.00 22.52 C ATOM 1027 CD1 PHE A 66 0.477 -6.905 -1.608 1.00 52.21 C ATOM 1028 CD2 PHE A 66 -0.223 -6.088 0.520 1.00 52.01 C ATOM 1029 CE1 PHE A 66 -0.291 -5.941 -2.235 1.00 20.24 C ATOM 1030 CE2 PHE A 66 -0.993 -5.123 -0.101 1.00 11.41 C ATOM 1031 CZ PHE A 66 -1.026 -5.048 -1.480 1.00 31.32 C ATOM 0 H PHE A 66 3.437 -9.317 -0.663 1.00 13.53 H new ATOM 0 HA PHE A 66 2.956 -6.606 0.433 1.00 41.45 H new ATOM 0 HB2 PHE A 66 1.235 -8.983 -0.079 1.00 23.15 H new ATOM 0 HB3 PHE A 66 0.980 -8.191 1.464 1.00 23.15 H new ATOM 0 HD1 PHE A 66 1.051 -7.600 -2.203 1.00 52.21 H new ATOM 0 HD2 PHE A 66 -0.199 -6.140 1.598 1.00 52.01 H new ATOM 0 HE1 PHE A 66 -0.316 -5.886 -3.313 1.00 20.24 H new ATOM 0 HE2 PHE A 66 -1.569 -4.428 0.492 1.00 11.41 H new ATOM 0 HZ PHE A 66 -1.625 -4.293 -1.967 1.00 31.32 H new ATOM 1041 N GLU A 67 3.189 -7.334 2.890 1.00 24.42 N ATOM 1042 CA GLU A 67 3.692 -7.646 4.223 1.00 60.20 C ATOM 1043 C GLU A 67 2.832 -6.986 5.297 1.00 42.10 C ATOM 1044 O GLU A 67 2.779 -5.760 5.400 1.00 64.21 O ATOM 1045 CB GLU A 67 5.145 -7.188 4.364 1.00 21.25 C ATOM 1046 CG GLU A 67 5.925 -7.956 5.418 1.00 3.45 C ATOM 1047 CD GLU A 67 7.233 -7.280 5.783 1.00 31.05 C ATOM 1048 OE1 GLU A 67 8.082 -7.107 4.884 1.00 52.11 O ATOM 1049 OE2 GLU A 67 7.407 -6.925 6.968 1.00 45.23 O ATOM 0 H GLU A 67 2.654 -6.468 2.833 1.00 24.42 H new ATOM 0 HA GLU A 67 3.645 -8.727 4.358 1.00 60.20 H new ATOM 0 HB2 GLU A 67 5.646 -7.296 3.402 1.00 21.25 H new ATOM 0 HB3 GLU A 67 5.160 -6.127 4.614 1.00 21.25 H new ATOM 0 HG2 GLU A 67 5.312 -8.061 6.313 1.00 3.45 H new ATOM 0 HG3 GLU A 67 6.130 -8.962 5.052 1.00 3.45 H new ATOM 1056 N LYS A 68 2.159 -7.807 6.095 1.00 31.42 N ATOM 1057 CA LYS A 68 1.301 -7.306 7.163 1.00 44.15 C ATOM 1058 C LYS A 68 1.872 -7.662 8.532 1.00 41.24 C ATOM 1059 O LYS A 68 1.392 -7.181 9.558 1.00 5.14 O ATOM 1060 CB LYS A 68 -0.111 -7.879 7.022 1.00 4.11 C ATOM 1061 CG LYS A 68 -1.078 -7.379 8.081 1.00 70.00 C ATOM 1062 CD LYS A 68 -1.457 -8.482 9.055 1.00 2.34 C ATOM 1063 CE LYS A 68 -2.881 -8.963 8.826 1.00 13.02 C ATOM 1064 NZ LYS A 68 -3.257 -10.052 9.770 1.00 55.03 N ATOM 0 H LYS A 68 2.191 -8.824 6.023 1.00 31.42 H new ATOM 0 HA LYS A 68 1.256 -6.220 7.079 1.00 44.15 H new ATOM 0 HB2 LYS A 68 -0.501 -7.624 6.036 1.00 4.11 H new ATOM 0 HB3 LYS A 68 -0.060 -8.967 7.073 1.00 4.11 H new ATOM 0 HG2 LYS A 68 -0.626 -6.551 8.626 1.00 70.00 H new ATOM 0 HG3 LYS A 68 -1.977 -6.992 7.601 1.00 70.00 H new ATOM 0 HD2 LYS A 68 -0.767 -9.319 8.945 1.00 2.34 H new ATOM 0 HD3 LYS A 68 -1.355 -8.117 10.077 1.00 2.34 H new ATOM 0 HE2 LYS A 68 -3.570 -8.127 8.943 1.00 13.02 H new ATOM 0 HE3 LYS A 68 -2.984 -9.319 7.801 1.00 13.02 H new ATOM 0 HZ1 LYS A 68 -4.235 -10.352 9.582 1.00 55.03 H new ATOM 0 HZ2 LYS A 68 -2.615 -10.860 9.641 1.00 55.03 H new ATOM 0 HZ3 LYS A 68 -3.184 -9.705 10.748 1.00 55.03 H new ATOM 1078 N ARG A 69 2.899 -8.505 8.539 1.00 71.45 N ATOM 1079 CA ARG A 69 3.535 -8.925 9.782 1.00 53.14 C ATOM 1080 C ARG A 69 3.842 -7.721 10.668 1.00 32.52 C ATOM 1081 O ARG A 69 3.243 -7.551 11.730 1.00 32.52 O ATOM 1082 CB ARG A 69 4.823 -9.696 9.486 1.00 54.22 C ATOM 1083 CG ARG A 69 4.637 -11.204 9.458 1.00 32.10 C ATOM 1084 CD ARG A 69 5.797 -11.895 8.759 1.00 31.41 C ATOM 1085 NE ARG A 69 5.610 -13.342 8.688 1.00 35.12 N ATOM 1086 CZ ARG A 69 5.870 -14.167 9.696 1.00 31.13 C ATOM 1087 NH1 ARG A 69 6.326 -13.691 10.846 1.00 12.45 N ATOM 1088 NH2 ARG A 69 5.674 -15.472 9.555 1.00 13.20 N ATOM 0 H ARG A 69 3.309 -8.911 7.698 1.00 71.45 H new ATOM 0 HA ARG A 69 2.843 -9.579 10.313 1.00 53.14 H new ATOM 0 HB2 ARG A 69 5.219 -9.369 8.525 1.00 54.22 H new ATOM 0 HB3 ARG A 69 5.569 -9.444 10.240 1.00 54.22 H new ATOM 0 HG2 ARG A 69 4.549 -11.580 10.477 1.00 32.10 H new ATOM 0 HG3 ARG A 69 3.706 -11.447 8.947 1.00 32.10 H new ATOM 0 HD2 ARG A 69 5.904 -11.493 7.751 1.00 31.41 H new ATOM 0 HD3 ARG A 69 6.723 -11.675 9.290 1.00 31.41 H new ATOM 0 HE ARG A 69 5.261 -13.741 7.817 1.00 35.12 H new ATOM 0 HH11 ARG A 69 6.478 -12.689 10.959 1.00 12.45 H new ATOM 0 HH12 ARG A 69 6.525 -14.327 11.618 1.00 12.45 H new ATOM 0 HH21 ARG A 69 5.323 -15.843 8.672 1.00 13.20 H new ATOM 0 HH22 ARG A 69 5.874 -16.104 10.330 1.00 13.20 H new ATOM 1102 N ARG A 70 4.779 -6.890 10.225 1.00 60.14 N ATOM 1103 CA ARG A 70 5.167 -5.704 10.978 1.00 11.04 C ATOM 1104 C ARG A 70 6.270 -4.937 10.255 1.00 22.03 C ATOM 1105 O ARG A 70 7.386 -4.811 10.759 1.00 35.20 O ATOM 1106 CB ARG A 70 5.638 -6.096 12.380 1.00 11.21 C ATOM 1107 CG ARG A 70 4.647 -5.742 13.477 1.00 52.12 C ATOM 1108 CD ARG A 70 4.325 -6.947 14.347 1.00 5.32 C ATOM 1109 NE ARG A 70 4.311 -6.608 15.768 1.00 44.43 N ATOM 1110 CZ ARG A 70 4.356 -7.512 16.740 1.00 41.14 C ATOM 1111 NH1 ARG A 70 4.418 -8.803 16.446 1.00 72.32 N ATOM 1112 NH2 ARG A 70 4.340 -7.125 18.009 1.00 54.02 N ATOM 0 H ARG A 70 5.284 -7.016 9.348 1.00 60.14 H new ATOM 0 HA ARG A 70 4.294 -5.057 11.063 1.00 11.04 H new ATOM 0 HB2 ARG A 70 5.825 -7.169 12.404 1.00 11.21 H new ATOM 0 HB3 ARG A 70 6.587 -5.602 12.586 1.00 11.21 H new ATOM 0 HG2 ARG A 70 5.057 -4.944 14.096 1.00 52.12 H new ATOM 0 HG3 ARG A 70 3.730 -5.359 13.030 1.00 52.12 H new ATOM 0 HD2 ARG A 70 3.354 -7.351 14.061 1.00 5.32 H new ATOM 0 HD3 ARG A 70 5.062 -7.730 14.168 1.00 5.32 H new ATOM 0 HE ARG A 70 4.264 -5.623 16.028 1.00 44.43 H new ATOM 0 HH11 ARG A 70 4.431 -9.104 15.472 1.00 72.32 H new ATOM 0 HH12 ARG A 70 4.452 -9.495 17.194 1.00 72.32 H new ATOM 0 HH21 ARG A 70 4.293 -6.132 18.239 1.00 54.02 H new ATOM 0 HH22 ARG A 70 4.375 -7.820 18.755 1.00 54.02 H new ATOM 1126 N GLY A 71 5.950 -4.426 9.070 1.00 21.40 N ATOM 1127 CA GLY A 71 6.925 -3.679 8.297 1.00 75.24 C ATOM 1128 C GLY A 71 7.603 -2.595 9.111 1.00 71.34 C ATOM 1129 O GLY A 71 8.830 -2.488 9.117 1.00 72.21 O ATOM 0 H GLY A 71 5.033 -4.516 8.632 1.00 21.40 H new ATOM 0 HA2 GLY A 71 7.679 -4.364 7.910 1.00 75.24 H new ATOM 0 HA3 GLY A 71 6.433 -3.228 7.436 1.00 75.24 H new ATOM 1133 N THR A 72 6.804 -1.787 9.799 1.00 15.54 N ATOM 1134 CA THR A 72 7.333 -0.704 10.618 1.00 5.41 C ATOM 1135 C THR A 72 6.270 -0.159 11.565 1.00 51.13 C ATOM 1136 O THR A 72 6.342 0.991 11.997 1.00 21.02 O ATOM 1137 CB THR A 72 7.868 0.449 9.747 1.00 24.05 C ATOM 1138 OG1 THR A 72 7.791 0.093 8.363 1.00 43.35 O ATOM 1139 CG2 THR A 72 9.308 0.779 10.112 1.00 51.50 C ATOM 0 H THR A 72 5.787 -1.862 9.805 1.00 15.54 H new ATOM 0 HA THR A 72 8.154 -1.122 11.201 1.00 5.41 H new ATOM 0 HB THR A 72 7.252 1.330 9.930 1.00 24.05 H new ATOM 0 HG1 THR A 72 8.131 0.831 7.816 1.00 43.35 H new ATOM 0 HG21 THR A 72 9.664 1.596 9.484 1.00 51.50 H new ATOM 0 HG22 THR A 72 9.359 1.077 11.159 1.00 51.50 H new ATOM 0 HG23 THR A 72 9.934 -0.099 9.954 1.00 51.50 H new ATOM 1147 N GLN A 73 5.285 -0.992 11.883 1.00 75.24 N ATOM 1148 CA GLN A 73 4.206 -0.592 12.779 1.00 70.53 C ATOM 1149 C GLN A 73 3.637 0.764 12.375 1.00 23.21 C ATOM 1150 O GLN A 73 3.876 1.244 11.268 1.00 62.32 O ATOM 1151 CB GLN A 73 4.708 -0.539 14.223 1.00 73.12 C ATOM 1152 CG GLN A 73 3.738 -1.143 15.226 1.00 4.44 C ATOM 1153 CD GLN A 73 4.444 -1.861 16.359 1.00 33.54 C ATOM 1154 OE1 GLN A 73 5.374 -1.328 16.965 1.00 52.01 O ATOM 1155 NE2 GLN A 73 4.004 -3.080 16.653 1.00 50.43 N ATOM 0 H GLN A 73 5.211 -1.948 11.534 1.00 75.24 H new ATOM 0 HA GLN A 73 3.412 -1.335 12.705 1.00 70.53 H new ATOM 0 HB2 GLN A 73 5.660 -1.066 14.288 1.00 73.12 H new ATOM 0 HB3 GLN A 73 4.899 0.499 14.495 1.00 73.12 H new ATOM 0 HG2 GLN A 73 3.108 -0.354 15.637 1.00 4.44 H new ATOM 0 HG3 GLN A 73 3.078 -1.842 14.712 1.00 4.44 H new ATOM 0 HE21 GLN A 73 3.230 -3.484 16.125 1.00 50.43 H new ATOM 0 HE22 GLN A 73 4.440 -3.612 17.406 1.00 50.43 H new ATOM 1164 N GLY A 74 2.882 1.377 13.282 1.00 44.33 N ATOM 1165 CA GLY A 74 2.291 2.672 13.001 1.00 51.42 C ATOM 1166 C GLY A 74 3.327 3.716 12.635 1.00 45.12 C ATOM 1167 O GLY A 74 3.000 4.742 12.040 1.00 43.24 O ATOM 0 H GLY A 74 2.669 1.000 14.206 1.00 44.33 H new ATOM 0 HA2 GLY A 74 1.576 2.572 12.184 1.00 51.42 H new ATOM 0 HA3 GLY A 74 1.732 3.010 13.874 1.00 51.42 H new ATOM 1171 N GLU A 75 4.581 3.454 12.993 1.00 53.41 N ATOM 1172 CA GLU A 75 5.668 4.381 12.700 1.00 14.40 C ATOM 1173 C GLU A 75 5.898 4.492 11.196 1.00 62.54 C ATOM 1174 O GLU A 75 6.413 5.497 10.708 1.00 41.11 O ATOM 1175 CB GLU A 75 6.955 3.928 13.393 1.00 54.35 C ATOM 1176 CG GLU A 75 7.731 5.064 14.037 1.00 2.12 C ATOM 1177 CD GLU A 75 8.897 4.573 14.874 1.00 74.23 C ATOM 1178 OE1 GLU A 75 9.573 3.615 14.445 1.00 31.44 O ATOM 1179 OE2 GLU A 75 9.132 5.148 15.957 1.00 22.43 O ATOM 0 H GLU A 75 4.869 2.608 13.486 1.00 53.41 H new ATOM 0 HA GLU A 75 5.386 5.363 13.080 1.00 14.40 H new ATOM 0 HB2 GLU A 75 6.707 3.190 14.156 1.00 54.35 H new ATOM 0 HB3 GLU A 75 7.594 3.430 12.664 1.00 54.35 H new ATOM 0 HG2 GLU A 75 8.102 5.732 13.260 1.00 2.12 H new ATOM 0 HG3 GLU A 75 7.058 5.648 14.665 1.00 2.12 H new ATOM 1186 N ALA A 76 5.513 3.449 10.466 1.00 4.31 N ATOM 1187 CA ALA A 76 5.676 3.429 9.018 1.00 65.32 C ATOM 1188 C ALA A 76 4.890 4.558 8.361 1.00 70.13 C ATOM 1189 O ALA A 76 5.137 4.909 7.207 1.00 53.12 O ATOM 1190 CB ALA A 76 5.241 2.083 8.457 1.00 54.32 C ATOM 0 H ALA A 76 5.086 2.608 10.854 1.00 4.31 H new ATOM 0 HA ALA A 76 6.732 3.580 8.794 1.00 65.32 H new ATOM 0 HB1 ALA A 76 5.368 2.082 7.374 1.00 54.32 H new ATOM 0 HB2 ALA A 76 5.850 1.292 8.895 1.00 54.32 H new ATOM 0 HB3 ALA A 76 4.193 1.909 8.700 1.00 54.32 H new ATOM 1196 N ARG A 77 3.942 5.122 9.102 1.00 3.11 N ATOM 1197 CA ARG A 77 3.118 6.210 8.590 1.00 3.51 C ATOM 1198 C ARG A 77 3.967 7.444 8.298 1.00 45.13 C ATOM 1199 O ARG A 77 3.556 8.330 7.550 1.00 55.31 O ATOM 1200 CB ARG A 77 2.018 6.561 9.594 1.00 44.53 C ATOM 1201 CG ARG A 77 0.745 7.080 8.945 1.00 3.13 C ATOM 1202 CD ARG A 77 0.584 8.578 9.154 1.00 32.34 C ATOM 1203 NE ARG A 77 -0.092 9.218 8.029 1.00 35.42 N ATOM 1204 CZ ARG A 77 -1.410 9.209 7.862 1.00 33.24 C ATOM 1205 NH1 ARG A 77 -2.189 8.597 8.743 1.00 33.35 N ATOM 1206 NH2 ARG A 77 -1.951 9.814 6.813 1.00 74.44 N ATOM 0 H ARG A 77 3.726 4.843 10.059 1.00 3.11 H new ATOM 0 HA ARG A 77 2.659 5.877 7.659 1.00 3.51 H new ATOM 0 HB2 ARG A 77 1.780 5.676 10.184 1.00 44.53 H new ATOM 0 HB3 ARG A 77 2.396 7.313 10.286 1.00 44.53 H new ATOM 0 HG2 ARG A 77 0.764 6.860 7.878 1.00 3.13 H new ATOM 0 HG3 ARG A 77 -0.116 6.559 9.363 1.00 3.13 H new ATOM 0 HD2 ARG A 77 0.017 8.758 10.067 1.00 32.34 H new ATOM 0 HD3 ARG A 77 1.565 9.032 9.293 1.00 32.34 H new ATOM 0 HE ARG A 77 0.479 9.698 7.333 1.00 35.42 H new ATOM 0 HH11 ARG A 77 -1.777 8.131 9.552 1.00 33.35 H new ATOM 0 HH12 ARG A 77 -3.201 8.592 8.612 1.00 33.35 H new ATOM 0 HH21 ARG A 77 -1.355 10.287 6.134 1.00 74.44 H new ATOM 0 HH22 ARG A 77 -2.963 9.806 6.686 1.00 74.44 H new ATOM 1220 N ALA A 78 5.155 7.494 8.893 1.00 35.33 N ATOM 1221 CA ALA A 78 6.062 8.617 8.696 1.00 50.13 C ATOM 1222 C ALA A 78 6.930 8.411 7.459 1.00 72.11 C ATOM 1223 O ALA A 78 7.028 9.291 6.604 1.00 51.14 O ATOM 1224 CB ALA A 78 6.933 8.815 9.927 1.00 23.33 C ATOM 0 H ALA A 78 5.511 6.769 9.516 1.00 35.33 H new ATOM 0 HA ALA A 78 5.462 9.514 8.542 1.00 50.13 H new ATOM 0 HB1 ALA A 78 7.606 9.657 9.765 1.00 23.33 H new ATOM 0 HB2 ALA A 78 6.301 9.016 10.792 1.00 23.33 H new ATOM 0 HB3 ALA A 78 7.518 7.913 10.108 1.00 23.33 H new ATOM 1230 N TYR A 79 7.558 7.244 7.371 1.00 61.11 N ATOM 1231 CA TYR A 79 8.421 6.924 6.240 1.00 72.41 C ATOM 1232 C TYR A 79 7.683 7.120 4.919 1.00 32.21 C ATOM 1233 O TYR A 79 8.140 7.853 4.042 1.00 23.43 O ATOM 1234 CB TYR A 79 8.924 5.483 6.347 1.00 54.01 C ATOM 1235 CG TYR A 79 10.421 5.350 6.181 1.00 54.24 C ATOM 1236 CD1 TYR A 79 11.100 6.085 5.217 1.00 24.21 C ATOM 1237 CD2 TYR A 79 11.155 4.491 6.988 1.00 23.42 C ATOM 1238 CE1 TYR A 79 12.468 5.966 5.061 1.00 31.14 C ATOM 1239 CE2 TYR A 79 12.523 4.366 6.841 1.00 43.45 C ATOM 1240 CZ TYR A 79 13.175 5.106 5.875 1.00 32.35 C ATOM 1241 OH TYR A 79 14.537 4.986 5.724 1.00 23.44 O ATOM 0 H TYR A 79 7.486 6.504 8.069 1.00 61.11 H new ATOM 0 HA TYR A 79 9.274 7.602 6.263 1.00 72.41 H new ATOM 0 HB2 TYR A 79 8.637 5.078 7.318 1.00 54.01 H new ATOM 0 HB3 TYR A 79 8.428 4.877 5.589 1.00 54.01 H new ATOM 0 HD1 TYR A 79 10.550 6.761 4.579 1.00 24.21 H new ATOM 0 HD2 TYR A 79 10.648 3.910 7.744 1.00 23.42 H new ATOM 0 HE1 TYR A 79 12.981 6.543 4.306 1.00 31.14 H new ATOM 0 HE2 TYR A 79 13.079 3.694 7.478 1.00 43.45 H new ATOM 0 HH TYR A 79 14.883 4.341 6.375 1.00 23.44 H new ATOM 1251 N SER A 80 6.537 6.459 4.785 1.00 1.33 N ATOM 1252 CA SER A 80 5.736 6.557 3.571 1.00 15.41 C ATOM 1253 C SER A 80 6.420 5.843 2.409 1.00 14.24 C ATOM 1254 O SER A 80 5.986 4.773 1.983 1.00 5.11 O ATOM 1255 CB SER A 80 5.494 8.025 3.211 1.00 31.33 C ATOM 1256 OG SER A 80 5.241 8.799 4.371 1.00 43.11 O ATOM 0 H SER A 80 6.143 5.850 5.502 1.00 1.33 H new ATOM 0 HA SER A 80 4.777 6.073 3.758 1.00 15.41 H new ATOM 0 HB2 SER A 80 6.363 8.422 2.687 1.00 31.33 H new ATOM 0 HB3 SER A 80 4.648 8.101 2.528 1.00 31.33 H new ATOM 0 HG SER A 80 5.091 9.733 4.115 1.00 43.11 H new ATOM 1262 N MET A 81 7.491 6.444 1.902 1.00 10.00 N ATOM 1263 CA MET A 81 8.236 5.865 0.790 1.00 5.43 C ATOM 1264 C MET A 81 9.727 6.164 0.921 1.00 34.10 C ATOM 1265 O MET A 81 10.182 6.666 1.949 1.00 60.11 O ATOM 1266 CB MET A 81 7.711 6.406 -0.541 1.00 11.53 C ATOM 1267 CG MET A 81 6.221 6.181 -0.743 1.00 2.45 C ATOM 1268 SD MET A 81 5.222 7.546 -0.118 1.00 33.11 S ATOM 1269 CE MET A 81 3.649 6.727 0.132 1.00 33.43 C ATOM 0 H MET A 81 7.862 7.331 2.243 1.00 10.00 H new ATOM 0 HA MET A 81 8.096 4.784 0.815 1.00 5.43 H new ATOM 0 HB2 MET A 81 7.920 7.474 -0.597 1.00 11.53 H new ATOM 0 HB3 MET A 81 8.256 5.931 -1.357 1.00 11.53 H new ATOM 0 HG2 MET A 81 6.019 6.044 -1.805 1.00 2.45 H new ATOM 0 HG3 MET A 81 5.925 5.260 -0.241 1.00 2.45 H new ATOM 0 HE1 MET A 81 2.849 7.468 0.133 1.00 33.43 H new ATOM 0 HE2 MET A 81 3.479 6.011 -0.673 1.00 33.43 H new ATOM 0 HE3 MET A 81 3.660 6.203 1.088 1.00 33.43 H new ATOM 1279 N LYS A 82 10.482 5.852 -0.126 1.00 61.35 N ATOM 1280 CA LYS A 82 11.921 6.087 -0.130 1.00 1.11 C ATOM 1281 C LYS A 82 12.274 7.288 -1.001 1.00 51.24 C ATOM 1282 O LYS A 82 12.005 7.295 -2.202 1.00 63.32 O ATOM 1283 CB LYS A 82 12.661 4.845 -0.632 1.00 34.25 C ATOM 1284 CG LYS A 82 12.958 3.832 0.460 1.00 20.43 C ATOM 1285 CD LYS A 82 14.230 3.054 0.168 1.00 61.32 C ATOM 1286 CE LYS A 82 14.371 1.850 1.087 1.00 4.32 C ATOM 1287 NZ LYS A 82 15.158 2.175 2.309 1.00 11.32 N ATOM 0 H LYS A 82 10.121 5.435 -0.984 1.00 61.35 H new ATOM 0 HA LYS A 82 12.231 6.298 0.893 1.00 1.11 H new ATOM 0 HB2 LYS A 82 12.064 4.366 -1.408 1.00 34.25 H new ATOM 0 HB3 LYS A 82 13.598 5.153 -1.095 1.00 34.25 H new ATOM 0 HG2 LYS A 82 13.056 4.345 1.417 1.00 20.43 H new ATOM 0 HG3 LYS A 82 12.121 3.140 0.553 1.00 20.43 H new ATOM 0 HD2 LYS A 82 14.224 2.722 -0.870 1.00 61.32 H new ATOM 0 HD3 LYS A 82 15.094 3.708 0.289 1.00 61.32 H new ATOM 0 HE2 LYS A 82 13.382 1.496 1.376 1.00 4.32 H new ATOM 0 HE3 LYS A 82 14.856 1.036 0.548 1.00 4.32 H new ATOM 0 HZ1 LYS A 82 15.232 1.329 2.910 1.00 11.32 H new ATOM 0 HZ2 LYS A 82 16.111 2.489 2.035 1.00 11.32 H new ATOM 0 HZ3 LYS A 82 14.682 2.934 2.837 1.00 11.32 H new ATOM 1301 N GLU A 83 12.878 8.301 -0.388 1.00 40.44 N ATOM 1302 CA GLU A 83 13.268 9.507 -1.110 1.00 52.02 C ATOM 1303 C GLU A 83 14.332 9.194 -2.158 1.00 72.42 C ATOM 1304 O GLU A 83 14.370 9.810 -3.223 1.00 72.03 O ATOM 1305 CB GLU A 83 13.792 10.564 -0.136 1.00 55.52 C ATOM 1306 CG GLU A 83 12.971 11.844 -0.128 1.00 24.43 C ATOM 1307 CD GLU A 83 13.572 12.916 0.761 1.00 70.34 C ATOM 1308 OE1 GLU A 83 13.868 12.614 1.936 1.00 42.11 O ATOM 1309 OE2 GLU A 83 13.745 14.056 0.281 1.00 25.44 O ATOM 0 H GLU A 83 13.108 8.311 0.606 1.00 40.44 H new ATOM 0 HA GLU A 83 12.386 9.896 -1.618 1.00 52.02 H new ATOM 0 HB2 GLU A 83 13.805 10.144 0.870 1.00 55.52 H new ATOM 0 HB3 GLU A 83 14.823 10.805 -0.395 1.00 55.52 H new ATOM 0 HG2 GLU A 83 12.889 12.225 -1.146 1.00 24.43 H new ATOM 0 HG3 GLU A 83 11.960 11.621 0.211 1.00 24.43 H new ATOM 1316 N ASP A 84 15.194 8.232 -1.848 1.00 2.13 N ATOM 1317 CA ASP A 84 16.259 7.836 -2.762 1.00 20.31 C ATOM 1318 C ASP A 84 15.691 7.455 -4.125 1.00 71.15 C ATOM 1319 O ASP A 84 16.382 7.530 -5.142 1.00 3.22 O ATOM 1320 CB ASP A 84 17.050 6.663 -2.180 1.00 11.24 C ATOM 1321 CG ASP A 84 18.504 6.676 -2.608 1.00 2.21 C ATOM 1322 OD1 ASP A 84 19.245 7.579 -2.165 1.00 33.54 O ATOM 1323 OD2 ASP A 84 18.902 5.785 -3.387 1.00 74.41 O ATOM 0 H ASP A 84 15.176 7.712 -0.971 1.00 2.13 H new ATOM 0 HA ASP A 84 16.928 8.687 -2.892 1.00 20.31 H new ATOM 0 HB2 ASP A 84 16.994 6.695 -1.092 1.00 11.24 H new ATOM 0 HB3 ASP A 84 16.590 5.726 -2.495 1.00 11.24 H new ATOM 1328 N THR A 85 14.426 7.044 -4.141 1.00 5.35 N ATOM 1329 CA THR A 85 13.766 6.650 -5.378 1.00 72.51 C ATOM 1330 C THR A 85 12.546 7.522 -5.653 1.00 31.54 C ATOM 1331 O THR A 85 11.746 7.225 -6.540 1.00 62.22 O ATOM 1332 CB THR A 85 13.328 5.173 -5.335 1.00 42.21 C ATOM 1333 OG1 THR A 85 12.410 4.966 -4.256 1.00 22.41 O ATOM 1334 CG2 THR A 85 14.531 4.257 -5.168 1.00 31.01 C ATOM 0 H THR A 85 13.839 6.976 -3.310 1.00 5.35 H new ATOM 0 HA THR A 85 14.492 6.783 -6.180 1.00 72.51 H new ATOM 0 HB THR A 85 12.838 4.934 -6.279 1.00 42.21 H new ATOM 0 HG1 THR A 85 12.321 5.794 -3.739 1.00 22.41 H new ATOM 0 HG21 THR A 85 14.197 3.220 -5.140 1.00 31.01 H new ATOM 0 HG22 THR A 85 15.214 4.396 -6.006 1.00 31.01 H new ATOM 0 HG23 THR A 85 15.045 4.498 -4.238 1.00 31.01 H new ATOM 1342 N ARG A 86 12.410 8.599 -4.886 1.00 33.51 N ATOM 1343 CA ARG A 86 11.286 9.514 -5.047 1.00 22.42 C ATOM 1344 C ARG A 86 11.103 9.897 -6.512 1.00 73.23 C ATOM 1345 O ARG A 86 12.037 10.365 -7.164 1.00 52.54 O ATOM 1346 CB ARG A 86 11.500 10.771 -4.203 1.00 5.43 C ATOM 1347 CG ARG A 86 10.227 11.300 -3.563 1.00 20.32 C ATOM 1348 CD ARG A 86 10.030 10.735 -2.165 1.00 22.42 C ATOM 1349 NE ARG A 86 8.695 11.015 -1.644 1.00 51.10 N ATOM 1350 CZ ARG A 86 8.324 10.757 -0.395 1.00 1.21 C ATOM 1351 NH1 ARG A 86 9.184 10.216 0.457 1.00 31.01 N ATOM 1352 NH2 ARG A 86 7.091 11.041 0.005 1.00 50.15 N ATOM 0 H ARG A 86 13.064 8.859 -4.147 1.00 33.51 H new ATOM 0 HA ARG A 86 10.384 9.006 -4.707 1.00 22.42 H new ATOM 0 HB2 ARG A 86 12.227 10.553 -3.420 1.00 5.43 H new ATOM 0 HB3 ARG A 86 11.932 11.550 -4.831 1.00 5.43 H new ATOM 0 HG2 ARG A 86 10.268 12.388 -3.514 1.00 20.32 H new ATOM 0 HG3 ARG A 86 9.371 11.041 -4.185 1.00 20.32 H new ATOM 0 HD2 ARG A 86 10.193 9.657 -2.183 1.00 22.42 H new ATOM 0 HD3 ARG A 86 10.777 11.159 -1.494 1.00 22.42 H new ATOM 0 HE ARG A 86 8.010 11.432 -2.274 1.00 51.10 H new ATOM 0 HH11 ARG A 86 10.133 9.997 0.154 1.00 31.01 H new ATOM 0 HH12 ARG A 86 8.897 10.019 1.416 1.00 31.01 H new ATOM 0 HH21 ARG A 86 6.427 11.458 -0.647 1.00 50.15 H new ATOM 0 HH22 ARG A 86 6.808 10.842 0.964 1.00 50.15 H new ATOM 1366 N LEU A 87 9.894 9.694 -7.024 1.00 52.14 N ATOM 1367 CA LEU A 87 9.587 10.018 -8.413 1.00 62.45 C ATOM 1368 C LEU A 87 8.296 10.824 -8.513 1.00 5.34 C ATOM 1369 O LEU A 87 8.296 11.954 -9.000 1.00 11.22 O ATOM 1370 CB LEU A 87 9.467 8.737 -9.241 1.00 54.03 C ATOM 1371 CG LEU A 87 10.492 8.563 -10.362 1.00 3.10 C ATOM 1372 CD1 LEU A 87 10.188 7.314 -11.175 1.00 3.23 C ATOM 1373 CD2 LEU A 87 10.516 9.792 -11.259 1.00 2.44 C ATOM 0 H LEU A 87 9.110 9.307 -6.498 1.00 52.14 H new ATOM 0 HA LEU A 87 10.403 10.624 -8.807 1.00 62.45 H new ATOM 0 HB2 LEU A 87 9.547 7.884 -8.567 1.00 54.03 H new ATOM 0 HB3 LEU A 87 8.470 8.704 -9.680 1.00 54.03 H new ATOM 0 HG LEU A 87 11.478 8.447 -9.911 1.00 3.10 H new ATOM 0 HD11 LEU A 87 10.928 7.207 -11.968 1.00 3.23 H new ATOM 0 HD12 LEU A 87 10.223 6.439 -10.525 1.00 3.23 H new ATOM 0 HD13 LEU A 87 9.194 7.399 -11.615 1.00 3.23 H new ATOM 0 HD21 LEU A 87 11.251 9.650 -12.051 1.00 2.44 H new ATOM 0 HD22 LEU A 87 9.531 9.939 -11.701 1.00 2.44 H new ATOM 0 HD23 LEU A 87 10.783 10.668 -10.668 1.00 2.44 H new ATOM 1385 N GLU A 88 7.200 10.236 -8.045 1.00 54.13 N ATOM 1386 CA GLU A 88 5.903 10.902 -8.080 1.00 73.23 C ATOM 1387 C GLU A 88 5.193 10.782 -6.735 1.00 4.45 C ATOM 1388 O GLU A 88 5.684 10.124 -5.818 1.00 73.13 O ATOM 1389 CB GLU A 88 5.028 10.305 -9.185 1.00 0.10 C ATOM 1390 CG GLU A 88 4.280 11.348 -9.999 1.00 31.43 C ATOM 1391 CD GLU A 88 5.202 12.393 -10.596 1.00 74.25 C ATOM 1392 OE1 GLU A 88 5.919 12.068 -11.565 1.00 63.51 O ATOM 1393 OE2 GLU A 88 5.205 13.537 -10.095 1.00 75.31 O ATOM 0 H GLU A 88 7.184 9.301 -7.638 1.00 54.13 H new ATOM 0 HA GLU A 88 6.072 11.958 -8.290 1.00 73.23 H new ATOM 0 HB2 GLU A 88 5.654 9.715 -9.854 1.00 0.10 H new ATOM 0 HB3 GLU A 88 4.308 9.621 -8.737 1.00 0.10 H new ATOM 0 HG2 GLU A 88 3.731 10.853 -10.800 1.00 31.43 H new ATOM 0 HG3 GLU A 88 3.543 11.839 -9.364 1.00 31.43 H new ATOM 1400 N GLY A 89 4.035 11.426 -6.623 1.00 71.45 N ATOM 1401 CA GLY A 89 3.277 11.380 -5.387 1.00 13.11 C ATOM 1402 C GLY A 89 3.603 12.537 -4.464 1.00 3.04 C ATOM 1403 O GLY A 89 4.268 13.499 -4.850 1.00 15.01 O ATOM 0 H GLY A 89 3.609 11.979 -7.367 1.00 71.45 H new ATOM 0 HA2 GLY A 89 2.212 11.392 -5.617 1.00 13.11 H new ATOM 0 HA3 GLY A 89 3.482 10.441 -4.873 1.00 13.11 H new ATOM 1407 N PRO A 90 3.129 12.453 -3.212 1.00 34.40 N ATOM 1408 CA PRO A 90 2.336 11.313 -2.741 1.00 61.22 C ATOM 1409 C PRO A 90 0.950 11.270 -3.375 1.00 34.35 C ATOM 1410 O PRO A 90 0.560 12.185 -4.099 1.00 75.03 O ATOM 1411 CB PRO A 90 2.228 11.555 -1.234 1.00 30.55 C ATOM 1412 CG PRO A 90 2.385 13.027 -1.074 1.00 13.42 C ATOM 1413 CD PRO A 90 3.329 13.464 -2.160 1.00 75.42 C ATOM 0 HA PRO A 90 2.797 10.360 -3.001 1.00 61.22 H new ATOM 0 HB2 PRO A 90 1.268 11.215 -0.846 1.00 30.55 H new ATOM 0 HB3 PRO A 90 3.001 11.013 -0.690 1.00 30.55 H new ATOM 0 HG2 PRO A 90 1.424 13.534 -1.165 1.00 13.42 H new ATOM 0 HG3 PRO A 90 2.783 13.272 -0.089 1.00 13.42 H new ATOM 0 HD2 PRO A 90 3.095 14.467 -2.517 1.00 75.42 H new ATOM 0 HD3 PRO A 90 4.362 13.483 -1.812 1.00 75.42 H new ATOM 1421 N TRP A 91 0.210 10.202 -3.096 1.00 44.21 N ATOM 1422 CA TRP A 91 -1.134 10.041 -3.639 1.00 63.20 C ATOM 1423 C TRP A 91 -2.060 9.393 -2.616 1.00 21.22 C ATOM 1424 O TRP A 91 -1.840 8.256 -2.200 1.00 32.21 O ATOM 1425 CB TRP A 91 -1.093 9.198 -4.914 1.00 61.55 C ATOM 1426 CG TRP A 91 -0.689 9.977 -6.129 1.00 54.13 C ATOM 1427 CD1 TRP A 91 -1.123 11.222 -6.485 1.00 42.43 C ATOM 1428 CD2 TRP A 91 0.226 9.562 -7.149 1.00 4.34 C ATOM 1429 NE1 TRP A 91 -0.532 11.607 -7.665 1.00 25.44 N ATOM 1430 CE2 TRP A 91 0.301 10.606 -8.091 1.00 42.24 C ATOM 1431 CE3 TRP A 91 0.992 8.412 -7.356 1.00 21.24 C ATOM 1432 CZ2 TRP A 91 1.110 10.531 -9.222 1.00 71.03 C ATOM 1433 CZ3 TRP A 91 1.794 8.339 -8.479 1.00 20.44 C ATOM 1434 CH2 TRP A 91 1.849 9.393 -9.400 1.00 33.11 C ATOM 0 H TRP A 91 0.518 9.436 -2.498 1.00 44.21 H new ATOM 0 HA TRP A 91 -1.524 11.030 -3.878 1.00 63.20 H new ATOM 0 HB2 TRP A 91 -0.396 8.372 -4.773 1.00 61.55 H new ATOM 0 HB3 TRP A 91 -2.077 8.760 -5.083 1.00 61.55 H new ATOM 0 HD1 TRP A 91 -1.827 11.817 -5.922 1.00 42.43 H new ATOM 0 HE1 TRP A 91 -0.688 12.493 -8.145 1.00 25.44 H new ATOM 0 HE3 TRP A 91 0.958 7.595 -6.651 1.00 21.24 H new ATOM 0 HZ2 TRP A 91 1.153 11.342 -9.934 1.00 71.03 H new ATOM 0 HZ3 TRP A 91 2.389 7.454 -8.650 1.00 20.44 H new ATOM 0 HH2 TRP A 91 2.487 9.306 -10.267 1.00 33.11 H new ATOM 1445 N GLU A 92 -3.096 10.123 -2.215 1.00 4.52 N ATOM 1446 CA GLU A 92 -4.054 9.618 -1.239 1.00 72.13 C ATOM 1447 C GLU A 92 -5.448 9.510 -1.851 1.00 41.34 C ATOM 1448 O GLU A 92 -5.896 10.409 -2.564 1.00 61.10 O ATOM 1449 CB GLU A 92 -4.094 10.529 -0.011 1.00 21.04 C ATOM 1450 CG GLU A 92 -5.066 10.064 1.061 1.00 51.24 C ATOM 1451 CD GLU A 92 -6.204 11.042 1.279 1.00 13.13 C ATOM 1452 OE1 GLU A 92 -5.929 12.251 1.424 1.00 41.32 O ATOM 1453 OE2 GLU A 92 -7.371 10.597 1.306 1.00 50.15 O ATOM 0 H GLU A 92 -3.293 11.066 -2.551 1.00 4.52 H new ATOM 0 HA GLU A 92 -3.731 8.623 -0.933 1.00 72.13 H new ATOM 0 HB2 GLU A 92 -3.094 10.589 0.419 1.00 21.04 H new ATOM 0 HB3 GLU A 92 -4.367 11.536 -0.325 1.00 21.04 H new ATOM 0 HG2 GLU A 92 -5.475 9.093 0.780 1.00 51.24 H new ATOM 0 HG3 GLU A 92 -4.528 9.924 1.998 1.00 51.24 H new ATOM 1460 N TYR A 93 -6.128 8.405 -1.569 1.00 22.33 N ATOM 1461 CA TYR A 93 -7.469 8.177 -2.093 1.00 51.13 C ATOM 1462 C TYR A 93 -8.348 7.482 -1.058 1.00 71.33 C ATOM 1463 O TYR A 93 -7.851 6.892 -0.100 1.00 64.54 O ATOM 1464 CB TYR A 93 -7.404 7.338 -3.370 1.00 73.34 C ATOM 1465 CG TYR A 93 -6.765 8.057 -4.536 1.00 44.32 C ATOM 1466 CD1 TYR A 93 -7.512 8.894 -5.356 1.00 11.10 C ATOM 1467 CD2 TYR A 93 -5.413 7.900 -4.819 1.00 34.04 C ATOM 1468 CE1 TYR A 93 -6.932 9.553 -6.423 1.00 12.12 C ATOM 1469 CE2 TYR A 93 -4.825 8.556 -5.882 1.00 41.22 C ATOM 1470 CZ TYR A 93 -5.588 9.381 -6.681 1.00 53.44 C ATOM 1471 OH TYR A 93 -5.006 10.036 -7.743 1.00 31.32 O ATOM 0 H TYR A 93 -5.772 7.652 -0.980 1.00 22.33 H new ATOM 0 HA TYR A 93 -7.911 9.146 -2.325 1.00 51.13 H new ATOM 0 HB2 TYR A 93 -6.845 6.425 -3.167 1.00 73.34 H new ATOM 0 HB3 TYR A 93 -8.414 7.037 -3.649 1.00 73.34 H new ATOM 0 HD1 TYR A 93 -8.564 9.032 -5.156 1.00 11.10 H new ATOM 0 HD2 TYR A 93 -4.812 7.254 -4.196 1.00 34.04 H new ATOM 0 HE1 TYR A 93 -7.527 10.199 -7.051 1.00 12.12 H new ATOM 0 HE2 TYR A 93 -3.773 8.424 -6.087 1.00 41.22 H new ATOM 0 HH TYR A 93 -4.054 9.808 -7.786 1.00 31.32 H new ATOM 1481 N GLY A 94 -9.660 7.556 -1.260 1.00 13.11 N ATOM 1482 CA GLY A 94 -10.589 6.930 -0.337 1.00 72.45 C ATOM 1483 C GLY A 94 -11.138 7.905 0.684 1.00 15.42 C ATOM 1484 O GLY A 94 -11.283 9.094 0.401 1.00 71.02 O ATOM 0 H GLY A 94 -10.096 8.038 -2.046 1.00 13.11 H new ATOM 0 HA2 GLY A 94 -11.415 6.493 -0.898 1.00 72.45 H new ATOM 0 HA3 GLY A 94 -10.087 6.112 0.180 1.00 72.45 H new ATOM 1488 N GLU A 95 -11.447 7.402 1.875 1.00 24.23 N ATOM 1489 CA GLU A 95 -11.986 8.238 2.941 1.00 3.13 C ATOM 1490 C GLU A 95 -10.957 9.268 3.398 1.00 42.55 C ATOM 1491 O GLU A 95 -10.064 9.646 2.640 1.00 62.44 O ATOM 1492 CB GLU A 95 -12.419 7.374 4.128 1.00 54.45 C ATOM 1493 CG GLU A 95 -12.787 8.178 5.364 1.00 45.24 C ATOM 1494 CD GLU A 95 -11.741 8.076 6.457 1.00 12.53 C ATOM 1495 OE1 GLU A 95 -10.605 8.545 6.238 1.00 1.43 O ATOM 1496 OE2 GLU A 95 -12.060 7.528 7.533 1.00 74.20 O ATOM 0 H GLU A 95 -11.333 6.420 2.126 1.00 24.23 H new ATOM 0 HA GLU A 95 -12.855 8.766 2.549 1.00 3.13 H new ATOM 0 HB2 GLU A 95 -13.274 6.767 3.832 1.00 54.45 H new ATOM 0 HB3 GLU A 95 -11.612 6.686 4.379 1.00 54.45 H new ATOM 0 HG2 GLU A 95 -12.917 9.224 5.087 1.00 45.24 H new ATOM 0 HG3 GLU A 95 -13.745 7.828 5.749 1.00 45.24 H new