USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 835 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 93 ASN : amide:sc= 0.921 K(o=0.94,f=-3.1!) USER MOD Set 1.2: A 97 LYS NZ :NH3+ 173:sc= 0.0207 (180deg=0) USER MOD Set 2.1: A 84 SER OG : rot 84:sc= 1.16 USER MOD Set 2.2: A 87 THR OG1 : rot 78:sc= 2.2 USER MOD Set 3.1: A 59 TYR OH : rot 70:sc= -2.89! USER MOD Set 3.2: A 110 THR OG1 : rot -66:sc= 0.169 USER MOD Set 4.1: A 29 SER OG : rot 143:sc= 1.87 USER MOD Set 4.2: A 66 TYR OH : rot 30:sc= -0.339! USER MOD Single : A 15 GLN : amide:sc= -0.926 X(o=-0.93,f=-1.3) USER MOD Single : A 18 ASN : amide:sc= 0.0619 K(o=0.062,f=-0.59) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 21 SER OG : rot 180:sc= 0.035 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -137:sc= -6.39! (180deg=-11.2!) USER MOD Single : A 46 LYS NZ :NH3+ -161:sc=0.000725 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 145:sc= -1.45 (180deg=-3.24!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.222) USER MOD Single : A 67 LYS NZ :NH3+ -173:sc= -0.735 (180deg=-1.05) USER MOD Single : A 69 ASN : amide:sc= 0.54 K(o=0.54,f=-5.8!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 78 THR OG1 : rot 78:sc= 0.53 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 156:sc= 0.433 USER MOD Single : A 81 ASN :FLIP amide:sc= -0.644 F(o=-5.1!,f=-0.64) USER MOD Single : A 92 LYS NZ :NH3+ 140:sc= -3.35! (180deg=-5.79!) USER MOD Single : A 99 SER OG : rot 120:sc= -0.034 USER MOD Single : A 106 LYS NZ :NH3+ -108:sc= 0.683 (180deg=-0.0146) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 108 THR OG1 : rot -170:sc= 0 USER MOD Single : A 112 SER OG : rot 74:sc= 0.771 USER MOD Single : A 115 LYS NZ :NH3+ 163:sc= -0.0082 (180deg=-0.198) USER MOD Single : A 116 TYR OH : rot -150:sc= -0.674 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -1.103 -1.650 -9.686 1.00 0.00 N ATOM 2 CA VAL A 14 -2.539 -1.406 -9.917 1.00 0.00 C ATOM 3 C VAL A 14 -2.788 0.115 -10.049 1.00 0.00 C ATOM 4 O VAL A 14 -2.280 0.920 -9.261 1.00 0.00 O ATOM 5 CB VAL A 14 -3.358 -2.047 -8.774 1.00 0.00 C ATOM 6 CG1 VAL A 14 -3.112 -1.410 -7.402 1.00 0.00 C ATOM 7 CG2 VAL A 14 -4.849 -2.055 -9.108 1.00 0.00 C ATOM 0 HA VAL A 14 -2.864 -1.869 -10.849 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.003 -3.074 -8.696 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.722 -1.914 -6.652 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.059 -1.508 -7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.380 -0.354 -7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.403 -2.511 -8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.195 -1.032 -9.254 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.014 -2.628 -10.020 1.00 0.00 H new ATOM 17 N GLN A 15 -3.584 0.457 -11.052 1.00 0.00 N ATOM 18 CA GLN A 15 -4.029 1.840 -11.309 1.00 0.00 C ATOM 19 C GLN A 15 -5.260 2.147 -10.461 1.00 0.00 C ATOM 20 O GLN A 15 -6.403 2.057 -10.919 1.00 0.00 O ATOM 21 CB GLN A 15 -4.386 2.045 -12.791 1.00 0.00 C ATOM 22 CG GLN A 15 -3.233 1.881 -13.796 1.00 0.00 C ATOM 23 CD GLN A 15 -2.711 0.443 -13.865 1.00 0.00 C ATOM 24 OE1 GLN A 15 -3.447 -0.532 -13.970 1.00 0.00 O ATOM 25 NE2 GLN A 15 -1.435 0.285 -13.618 1.00 0.00 N ATOM 0 H GLN A 15 -3.949 -0.218 -11.724 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.210 2.510 -11.049 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.173 1.339 -13.055 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.803 3.045 -12.908 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.572 2.188 -14.785 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.416 2.547 -13.518 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.828 1.100 -13.532 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.048 -0.653 -13.512 1.00 0.00 H new ATOM 34 N ASP A 16 -5.035 2.340 -9.157 1.00 0.00 N ATOM 35 CA ASP A 16 -6.077 2.657 -8.155 1.00 0.00 C ATOM 36 C ASP A 16 -7.055 1.501 -7.858 1.00 0.00 C ATOM 37 O ASP A 16 -8.070 1.290 -8.526 1.00 0.00 O ATOM 38 CB ASP A 16 -6.819 3.997 -8.349 1.00 0.00 C ATOM 39 CG ASP A 16 -7.344 4.329 -9.755 1.00 0.00 C ATOM 40 OD1 ASP A 16 -6.582 5.019 -10.470 1.00 0.00 O ATOM 41 OD2 ASP A 16 -8.508 3.971 -10.046 1.00 0.00 O ATOM 0 H ASP A 16 -4.101 2.280 -8.751 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.474 2.797 -7.258 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.666 4.013 -7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.147 4.799 -8.045 1.00 0.00 H new ATOM 47 N VAL A 17 -6.713 0.797 -6.781 1.00 0.00 N ATOM 48 CA VAL A 17 -7.487 -0.352 -6.266 1.00 0.00 C ATOM 49 C VAL A 17 -8.647 0.142 -5.369 1.00 0.00 C ATOM 50 O VAL A 17 -8.630 0.091 -4.143 1.00 0.00 O ATOM 51 CB VAL A 17 -6.529 -1.383 -5.633 1.00 0.00 C ATOM 52 CG1 VAL A 17 -5.706 -0.864 -4.442 1.00 0.00 C ATOM 53 CG2 VAL A 17 -7.234 -2.694 -5.278 1.00 0.00 C ATOM 0 H VAL A 17 -5.881 1.004 -6.228 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.984 -0.891 -7.073 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.805 -1.580 -6.423 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.065 -1.662 -4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.090 -0.024 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.379 -0.538 -3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.516 -3.385 -4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.033 -2.495 -4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.655 -3.137 -6.181 1.00 0.00 H new ATOM 63 N ASN A 18 -9.613 0.729 -6.074 1.00 0.00 N ATOM 64 CA ASN A 18 -10.828 1.343 -5.522 1.00 0.00 C ATOM 65 C ASN A 18 -11.712 0.321 -4.785 1.00 0.00 C ATOM 66 O ASN A 18 -11.666 -0.874 -5.046 1.00 0.00 O ATOM 67 CB ASN A 18 -11.634 1.964 -6.667 1.00 0.00 C ATOM 68 CG ASN A 18 -10.865 3.005 -7.487 1.00 0.00 C ATOM 69 OD1 ASN A 18 -10.112 3.837 -7.007 1.00 0.00 O ATOM 70 ND2 ASN A 18 -11.073 2.960 -8.784 1.00 0.00 N ATOM 0 H ASN A 18 -9.572 0.794 -7.091 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.522 2.100 -4.800 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.969 1.169 -7.333 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.528 2.432 -6.255 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.603 3.624 -9.399 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.704 2.261 -9.175 1.00 0.00 H new ATOM 77 N ASP A 19 -12.760 0.912 -4.220 1.00 0.00 N ATOM 78 CA ASP A 19 -13.826 0.211 -3.467 1.00 0.00 C ATOM 79 C ASP A 19 -14.445 -0.965 -4.243 1.00 0.00 C ATOM 80 O ASP A 19 -14.451 -2.087 -3.746 1.00 0.00 O ATOM 81 CB ASP A 19 -14.923 1.225 -3.113 1.00 0.00 C ATOM 82 CG ASP A 19 -14.965 1.518 -1.614 1.00 0.00 C ATOM 83 OD1 ASP A 19 -15.570 0.684 -0.904 1.00 0.00 O ATOM 84 OD2 ASP A 19 -14.451 2.579 -1.218 1.00 0.00 O ATOM 0 H ASP A 19 -12.907 1.920 -4.268 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.371 -0.212 -2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -14.751 2.152 -3.660 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.891 0.840 -3.435 1.00 0.00 H new ATOM 90 N SER A 20 -14.660 -0.713 -5.531 1.00 0.00 N ATOM 91 CA SER A 20 -15.258 -1.651 -6.509 1.00 0.00 C ATOM 92 C SER A 20 -14.557 -3.008 -6.637 1.00 0.00 C ATOM 93 O SER A 20 -15.218 -4.031 -6.806 1.00 0.00 O ATOM 94 CB SER A 20 -15.281 -0.967 -7.876 1.00 0.00 C ATOM 95 OG SER A 20 -14.023 -0.335 -8.127 1.00 0.00 O ATOM 0 H SER A 20 -14.416 0.184 -5.951 1.00 0.00 H new ATOM 0 HA SER A 20 -16.255 -1.881 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.491 -1.700 -8.655 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.082 -0.228 -7.909 1.00 0.00 H new ATOM 0 HG SER A 20 -14.045 0.100 -9.005 1.00 0.00 H new ATOM 101 N SER A 21 -13.229 -2.997 -6.687 1.00 0.00 N ATOM 102 CA SER A 21 -12.416 -4.225 -6.780 1.00 0.00 C ATOM 103 C SER A 21 -11.821 -4.696 -5.453 1.00 0.00 C ATOM 104 O SER A 21 -11.653 -5.903 -5.284 1.00 0.00 O ATOM 105 CB SER A 21 -11.250 -3.989 -7.739 1.00 0.00 C ATOM 106 OG SER A 21 -10.670 -2.712 -7.426 1.00 0.00 O ATOM 0 H SER A 21 -12.676 -2.140 -6.665 1.00 0.00 H new ATOM 0 HA SER A 21 -13.102 -4.999 -7.126 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.507 -4.780 -7.638 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.597 -4.007 -8.772 1.00 0.00 H new ATOM 0 HG SER A 21 -9.917 -2.538 -8.028 1.00 0.00 H new ATOM 112 N TRP A 22 -11.700 -3.786 -4.493 1.00 0.00 N ATOM 113 CA TRP A 22 -11.001 -3.959 -3.211 1.00 0.00 C ATOM 114 C TRP A 22 -11.149 -5.354 -2.597 1.00 0.00 C ATOM 115 O TRP A 22 -10.214 -6.142 -2.575 1.00 0.00 O ATOM 116 CB TRP A 22 -11.510 -2.878 -2.263 1.00 0.00 C ATOM 117 CG TRP A 22 -10.814 -2.909 -0.903 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.217 -3.620 0.143 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.613 -2.309 -0.569 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.331 -3.505 1.134 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.320 -2.737 0.735 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.712 -1.478 -1.279 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.120 -2.364 1.355 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.498 -1.123 -0.671 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.209 -1.563 0.638 1.00 0.00 C ATOM 0 H TRP A 22 -12.107 -2.855 -4.587 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.930 -3.859 -3.389 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.361 -1.900 -2.720 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.583 -3.002 -2.120 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.125 -4.203 0.185 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.415 -3.938 2.054 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.955 -1.124 -2.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.898 -2.684 2.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.785 -0.513 -1.205 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.274 -1.281 1.098 1.00 0.00 H new ATOM 136 N LYS A 23 -12.390 -5.736 -2.356 1.00 0.00 N ATOM 137 CA LYS A 23 -12.703 -7.032 -1.735 1.00 0.00 C ATOM 138 C LYS A 23 -12.134 -8.277 -2.389 1.00 0.00 C ATOM 139 O LYS A 23 -11.760 -9.247 -1.731 1.00 0.00 O ATOM 140 CB LYS A 23 -14.195 -7.207 -1.687 1.00 0.00 C ATOM 141 CG LYS A 23 -14.434 -6.733 -0.283 1.00 0.00 C ATOM 142 CD LYS A 23 -15.918 -6.503 -0.201 1.00 0.00 C ATOM 143 CE LYS A 23 -16.072 -5.935 1.187 1.00 0.00 C ATOM 144 NZ LYS A 23 -16.948 -6.948 1.731 1.00 0.00 N ATOM 0 H LYS A 23 -13.209 -5.171 -2.579 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.222 -6.966 -0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.715 -6.603 -2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.504 -8.241 -1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.108 -7.475 0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.880 -5.818 -0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.266 -5.809 -0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.482 -7.427 -0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.125 -5.861 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.519 -4.941 1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.173 -6.718 2.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.826 -6.982 1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.476 -7.874 1.690 1.00 0.00 H new ATOM 158 N GLU A 24 -12.078 -8.193 -3.696 1.00 0.00 N ATOM 159 CA GLU A 24 -11.551 -9.291 -4.512 1.00 0.00 C ATOM 160 C GLU A 24 -10.057 -9.100 -4.741 1.00 0.00 C ATOM 161 O GLU A 24 -9.277 -9.740 -4.052 1.00 0.00 O ATOM 162 CB GLU A 24 -12.357 -9.383 -5.809 1.00 0.00 C ATOM 163 CG GLU A 24 -13.781 -9.779 -5.403 1.00 0.00 C ATOM 164 CD GLU A 24 -14.639 -10.103 -6.629 1.00 0.00 C ATOM 165 OE1 GLU A 24 -14.737 -11.305 -6.939 1.00 0.00 O ATOM 166 OE2 GLU A 24 -15.154 -9.133 -7.213 1.00 0.00 O ATOM 0 H GLU A 24 -12.388 -7.381 -4.230 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.661 -10.244 -3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.354 -8.429 -6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.925 -10.122 -6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.745 -10.645 -4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.240 -8.967 -4.840 1.00 0.00 H new ATOM 174 N PHE A 25 -9.731 -7.911 -5.222 1.00 0.00 N ATOM 175 CA PHE A 25 -8.379 -7.512 -5.614 1.00 0.00 C ATOM 176 C PHE A 25 -7.375 -7.222 -4.484 1.00 0.00 C ATOM 177 O PHE A 25 -6.292 -6.696 -4.720 1.00 0.00 O ATOM 178 CB PHE A 25 -8.560 -6.293 -6.515 1.00 0.00 C ATOM 179 CG PHE A 25 -7.697 -6.419 -7.752 1.00 0.00 C ATOM 180 CD1 PHE A 25 -6.397 -5.864 -7.742 1.00 0.00 C ATOM 181 CD2 PHE A 25 -8.240 -6.991 -8.923 1.00 0.00 C ATOM 182 CE1 PHE A 25 -5.627 -5.862 -8.926 1.00 0.00 C ATOM 183 CE2 PHE A 25 -7.479 -6.997 -10.114 1.00 0.00 C ATOM 184 CZ PHE A 25 -6.179 -6.424 -10.097 1.00 0.00 C ATOM 0 H PHE A 25 -10.419 -7.170 -5.357 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.913 -8.365 -6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -9.607 -6.197 -6.802 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -8.295 -5.387 -5.970 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.994 -5.443 -6.833 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.231 -7.421 -8.909 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.634 -5.438 -8.935 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.878 -7.429 -11.020 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.596 -6.418 -11.006 1.00 0.00 H new ATOM 194 N VAL A 26 -7.856 -7.382 -3.259 1.00 0.00 N ATOM 195 CA VAL A 26 -7.097 -7.257 -1.995 1.00 0.00 C ATOM 196 C VAL A 26 -7.459 -8.475 -1.131 1.00 0.00 C ATOM 197 O VAL A 26 -6.656 -9.405 -1.052 1.00 0.00 O ATOM 198 CB VAL A 26 -7.385 -5.913 -1.273 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.724 -5.814 0.110 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.936 -4.721 -2.117 1.00 0.00 C ATOM 0 H VAL A 26 -8.836 -7.615 -3.098 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.025 -7.244 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.466 -5.888 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.965 -4.851 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.094 -6.616 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.643 -5.905 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.152 -3.795 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.864 -4.791 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.471 -4.725 -3.067 1.00 0.00 H new ATOM 210 N LEU A 27 -8.722 -8.578 -0.697 1.00 0.00 N ATOM 211 CA LEU A 27 -9.110 -9.667 0.218 1.00 0.00 C ATOM 212 C LEU A 27 -9.075 -11.080 -0.395 1.00 0.00 C ATOM 213 O LEU A 27 -8.560 -12.003 0.231 1.00 0.00 O ATOM 214 CB LEU A 27 -10.413 -9.416 0.985 1.00 0.00 C ATOM 215 CG LEU A 27 -10.364 -8.301 2.050 1.00 0.00 C ATOM 216 CD1 LEU A 27 -9.170 -8.453 3.003 1.00 0.00 C ATOM 217 CD2 LEU A 27 -10.368 -6.899 1.436 1.00 0.00 C ATOM 0 H LEU A 27 -9.476 -7.941 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.307 -9.646 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.194 -9.170 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.710 -10.345 1.473 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.280 -8.417 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.182 -7.644 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.237 -9.410 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.242 -8.414 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.332 -6.154 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.498 -6.782 0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.276 -6.761 0.850 1.00 0.00 H new ATOM 229 N GLU A 28 -9.411 -11.182 -1.693 1.00 0.00 N ATOM 230 CA GLU A 28 -9.376 -12.466 -2.420 1.00 0.00 C ATOM 231 C GLU A 28 -8.365 -12.430 -3.591 1.00 0.00 C ATOM 232 O GLU A 28 -8.695 -12.589 -4.768 1.00 0.00 O ATOM 233 CB GLU A 28 -10.774 -12.850 -2.939 1.00 0.00 C ATOM 234 CG GLU A 28 -11.720 -13.389 -1.876 1.00 0.00 C ATOM 235 CD GLU A 28 -12.430 -12.302 -1.070 1.00 0.00 C ATOM 236 OE1 GLU A 28 -13.332 -11.663 -1.653 1.00 0.00 O ATOM 237 OE2 GLU A 28 -12.120 -12.198 0.134 1.00 0.00 O ATOM 0 H GLU A 28 -9.710 -10.390 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.048 -13.226 -1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.229 -11.973 -3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.663 -13.601 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.469 -14.019 -2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.158 -14.026 -1.193 1.00 0.00 H new ATOM 245 N SER A 29 -7.119 -12.167 -3.216 1.00 0.00 N ATOM 246 CA SER A 29 -5.992 -12.060 -4.174 1.00 0.00 C ATOM 247 C SER A 29 -5.002 -13.226 -3.969 1.00 0.00 C ATOM 248 O SER A 29 -5.407 -14.351 -3.690 1.00 0.00 O ATOM 249 CB SER A 29 -5.410 -10.634 -4.025 1.00 0.00 C ATOM 250 OG SER A 29 -4.261 -10.428 -4.851 1.00 0.00 O ATOM 0 H SER A 29 -6.847 -12.020 -2.244 1.00 0.00 H new ATOM 0 HA SER A 29 -6.298 -12.172 -5.214 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.176 -9.903 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.141 -10.461 -2.983 1.00 0.00 H new ATOM 0 HG SER A 29 -4.274 -9.516 -5.208 1.00 0.00 H new ATOM 256 N GLU A 30 -3.698 -12.925 -4.023 1.00 0.00 N ATOM 257 CA GLU A 30 -2.555 -13.813 -3.752 1.00 0.00 C ATOM 258 C GLU A 30 -2.611 -14.385 -2.319 1.00 0.00 C ATOM 259 O GLU A 30 -1.946 -15.374 -2.012 1.00 0.00 O ATOM 260 CB GLU A 30 -1.285 -12.970 -3.937 1.00 0.00 C ATOM 261 CG GLU A 30 0.012 -13.787 -3.953 1.00 0.00 C ATOM 262 CD GLU A 30 1.224 -12.874 -4.185 1.00 0.00 C ATOM 263 OE1 GLU A 30 1.821 -12.448 -3.187 1.00 0.00 O ATOM 264 OE2 GLU A 30 1.481 -12.580 -5.383 1.00 0.00 O ATOM 0 H GLU A 30 -3.389 -11.986 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.571 -14.665 -4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.363 -12.415 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.229 -12.236 -3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.125 -14.317 -3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.037 -14.542 -4.738 1.00 0.00 H new ATOM 272 N VAL A 31 -3.397 -13.666 -1.507 1.00 0.00 N ATOM 273 CA VAL A 31 -3.723 -13.854 -0.088 1.00 0.00 C ATOM 274 C VAL A 31 -2.843 -12.944 0.814 1.00 0.00 C ATOM 275 O VAL A 31 -3.409 -11.939 1.256 1.00 0.00 O ATOM 276 CB VAL A 31 -4.037 -15.319 0.277 1.00 0.00 C ATOM 277 CG1 VAL A 31 -4.156 -15.585 1.776 1.00 0.00 C ATOM 278 CG2 VAL A 31 -5.355 -15.712 -0.408 1.00 0.00 C ATOM 0 H VAL A 31 -3.875 -12.842 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.706 -13.456 0.164 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.194 -15.918 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.378 -16.639 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.216 -15.330 2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.959 -14.976 2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.598 -16.746 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.155 -15.059 -0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.248 -15.610 -1.488 1.00 0.00 H new ATOM 288 N PRO A 32 -1.508 -13.065 0.856 1.00 0.00 N ATOM 289 CA PRO A 32 -0.659 -12.021 1.490 1.00 0.00 C ATOM 290 C PRO A 32 -0.684 -10.807 0.555 1.00 0.00 C ATOM 291 O PRO A 32 -0.400 -10.886 -0.647 1.00 0.00 O ATOM 292 CB PRO A 32 0.756 -12.591 1.535 1.00 0.00 C ATOM 293 CG PRO A 32 0.571 -14.090 1.383 1.00 0.00 C ATOM 294 CD PRO A 32 -0.668 -14.231 0.518 1.00 0.00 C ATOM 0 HA PRO A 32 -0.996 -11.740 2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.373 -12.185 0.733 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.252 -12.346 2.474 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.439 -14.552 0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.438 -14.574 2.350 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.411 -14.238 -0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.189 -15.166 0.725 1.00 0.00 H new ATOM 302 N VAL A 33 -1.228 -9.723 1.099 1.00 0.00 N ATOM 303 CA VAL A 33 -1.446 -8.476 0.343 1.00 0.00 C ATOM 304 C VAL A 33 -1.056 -7.237 1.163 1.00 0.00 C ATOM 305 O VAL A 33 -1.153 -7.237 2.389 1.00 0.00 O ATOM 306 CB VAL A 33 -2.953 -8.451 -0.020 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.510 -7.088 -0.457 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.305 -9.484 -1.094 1.00 0.00 C ATOM 0 H VAL A 33 -1.532 -9.675 2.071 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.820 -8.451 -0.549 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.431 -8.699 0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.571 -7.185 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.378 -6.366 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.977 -6.744 -1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.371 -9.430 -1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.735 -9.276 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.060 -10.483 -0.732 1.00 0.00 H new ATOM 318 N MET A 34 -0.683 -6.194 0.423 1.00 0.00 N ATOM 319 CA MET A 34 -0.446 -4.871 1.013 1.00 0.00 C ATOM 320 C MET A 34 -0.995 -3.701 0.186 1.00 0.00 C ATOM 321 O MET A 34 -1.109 -3.784 -1.034 1.00 0.00 O ATOM 322 CB MET A 34 1.023 -4.639 1.318 1.00 0.00 C ATOM 323 CG MET A 34 1.920 -4.507 0.083 1.00 0.00 C ATOM 324 SD MET A 34 3.573 -3.846 0.482 1.00 0.00 S ATOM 325 CE MET A 34 4.120 -5.033 1.691 1.00 0.00 C ATOM 0 H MET A 34 -0.538 -6.236 -0.586 1.00 0.00 H new ATOM 0 HA MET A 34 -1.011 -4.889 1.945 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.117 -3.733 1.917 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.388 -5.465 1.929 1.00 0.00 H new ATOM 0 HG2 MET A 34 2.028 -5.484 -0.389 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.437 -3.853 -0.644 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.602 -4.513 2.519 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.263 -5.594 2.064 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.831 -5.720 1.231 1.00 0.00 H new ATOM 335 N VAL A 35 -1.296 -2.624 0.903 1.00 0.00 N ATOM 336 CA VAL A 35 -1.795 -1.345 0.354 1.00 0.00 C ATOM 337 C VAL A 35 -1.192 -0.138 1.075 1.00 0.00 C ATOM 338 O VAL A 35 -1.283 -0.049 2.292 1.00 0.00 O ATOM 339 CB VAL A 35 -3.320 -1.273 0.483 1.00 0.00 C ATOM 340 CG1 VAL A 35 -3.983 -2.211 -0.525 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.862 -1.586 1.878 1.00 0.00 C ATOM 0 H VAL A 35 -1.200 -2.605 1.918 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.497 -1.312 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.569 -0.231 0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.066 -2.149 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.698 -1.919 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.658 -3.235 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.949 -1.510 1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.571 -2.597 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.453 -0.875 2.595 1.00 0.00 H new ATOM 351 N ASP A 36 -0.792 0.861 0.284 1.00 0.00 N ATOM 352 CA ASP A 36 -0.119 2.077 0.818 1.00 0.00 C ATOM 353 C ASP A 36 -0.936 3.304 1.251 1.00 0.00 C ATOM 354 O ASP A 36 -0.574 3.975 2.210 1.00 0.00 O ATOM 355 CB ASP A 36 1.028 2.486 -0.116 1.00 0.00 C ATOM 356 CG ASP A 36 0.676 2.563 -1.600 1.00 0.00 C ATOM 357 OD1 ASP A 36 -0.373 3.174 -1.923 1.00 0.00 O ATOM 358 OD2 ASP A 36 1.406 1.919 -2.386 1.00 0.00 O ATOM 0 H ASP A 36 -0.916 0.864 -0.728 1.00 0.00 H new ATOM 0 HA ASP A 36 0.217 1.724 1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.401 3.460 0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.845 1.775 0.009 1.00 0.00 H new ATOM 364 N PHE A 37 -1.906 3.675 0.411 1.00 0.00 N ATOM 365 CA PHE A 37 -2.799 4.863 0.521 1.00 0.00 C ATOM 366 C PHE A 37 -2.123 6.217 0.275 1.00 0.00 C ATOM 367 O PHE A 37 -1.203 6.610 0.992 1.00 0.00 O ATOM 368 CB PHE A 37 -3.511 5.012 1.875 1.00 0.00 C ATOM 369 CG PHE A 37 -4.615 3.987 2.127 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.273 2.656 2.437 1.00 0.00 C ATOM 371 CD2 PHE A 37 -5.957 4.360 1.898 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.288 1.675 2.468 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.980 3.382 1.949 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.626 2.041 2.203 1.00 0.00 C ATOM 0 H PHE A 37 -2.113 3.126 -0.424 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.509 4.638 -0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.771 4.933 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.940 6.012 1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.248 2.390 2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.203 5.390 1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.042 0.648 2.694 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.013 3.658 1.796 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.392 1.280 2.195 1.00 0.00 H new ATOM 384 N TRP A 38 -2.628 6.929 -0.725 1.00 0.00 N ATOM 385 CA TRP A 38 -2.200 8.329 -0.967 1.00 0.00 C ATOM 386 C TRP A 38 -3.397 9.255 -1.201 1.00 0.00 C ATOM 387 O TRP A 38 -4.436 8.840 -1.726 1.00 0.00 O ATOM 388 CB TRP A 38 -1.127 8.432 -2.058 1.00 0.00 C ATOM 389 CG TRP A 38 -1.691 8.371 -3.474 1.00 0.00 C ATOM 390 CD1 TRP A 38 -2.249 7.285 -4.007 1.00 0.00 C ATOM 391 CD2 TRP A 38 -2.078 9.458 -4.244 1.00 0.00 C ATOM 392 NE1 TRP A 38 -2.992 7.625 -5.057 1.00 0.00 N ATOM 393 CE2 TRP A 38 -2.965 8.946 -5.205 1.00 0.00 C ATOM 394 CE3 TRP A 38 -1.908 10.859 -4.115 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -3.725 9.797 -6.025 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -2.641 11.715 -4.944 1.00 0.00 C ATOM 397 CH2 TRP A 38 -3.555 11.198 -5.896 1.00 0.00 C ATOM 0 H TRP A 38 -3.326 6.579 -1.382 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.718 8.682 -0.055 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.581 9.367 -1.933 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.408 7.623 -1.927 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.118 6.277 -3.641 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.502 6.974 -5.654 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.221 11.261 -3.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.425 9.391 -6.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.509 12.783 -4.857 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.121 11.871 -6.523 1.00 0.00 H new ATOM 408 N ALA A 39 -3.144 10.543 -0.995 1.00 0.00 N ATOM 409 CA ALA A 39 -4.183 11.588 -1.024 1.00 0.00 C ATOM 410 C ALA A 39 -3.698 12.813 -1.814 1.00 0.00 C ATOM 411 O ALA A 39 -2.530 13.188 -1.680 1.00 0.00 O ATOM 412 CB ALA A 39 -4.527 12.007 0.402 1.00 0.00 C ATOM 0 H ALA A 39 -2.209 10.902 -0.801 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.069 11.184 -1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.295 12.780 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.897 11.144 0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.635 12.397 0.892 1.00 0.00 H new ATOM 418 N PRO A 40 -4.556 13.426 -2.634 1.00 0.00 N ATOM 419 CA PRO A 40 -4.195 14.637 -3.395 1.00 0.00 C ATOM 420 C PRO A 40 -3.897 15.872 -2.516 1.00 0.00 C ATOM 421 O PRO A 40 -2.991 16.635 -2.826 1.00 0.00 O ATOM 422 CB PRO A 40 -5.335 14.864 -4.374 1.00 0.00 C ATOM 423 CG PRO A 40 -6.520 14.128 -3.763 1.00 0.00 C ATOM 424 CD PRO A 40 -5.889 12.934 -3.035 1.00 0.00 C ATOM 0 HA PRO A 40 -3.249 14.486 -3.915 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.548 15.926 -4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.092 14.473 -5.362 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.073 14.767 -3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.223 13.801 -4.529 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.481 12.635 -2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.814 12.063 -3.686 1.00 0.00 H new ATOM 432 N TRP A 41 -4.611 15.993 -1.398 1.00 0.00 N ATOM 433 CA TRP A 41 -4.342 17.037 -0.384 1.00 0.00 C ATOM 434 C TRP A 41 -3.006 16.882 0.364 1.00 0.00 C ATOM 435 O TRP A 41 -2.468 17.855 0.879 1.00 0.00 O ATOM 436 CB TRP A 41 -5.550 17.169 0.559 1.00 0.00 C ATOM 437 CG TRP A 41 -6.158 15.833 0.986 1.00 0.00 C ATOM 438 CD1 TRP A 41 -7.326 15.354 0.564 1.00 0.00 C ATOM 439 CD2 TRP A 41 -5.778 15.060 2.078 1.00 0.00 C ATOM 440 NE1 TRP A 41 -7.735 14.365 1.355 1.00 0.00 N ATOM 441 CE2 TRP A 41 -6.820 14.155 2.302 1.00 0.00 C ATOM 442 CE3 TRP A 41 -4.575 14.966 2.798 1.00 0.00 C ATOM 443 CZ2 TRP A 41 -6.703 13.147 3.292 1.00 0.00 C ATOM 444 CZ3 TRP A 41 -4.440 13.955 3.772 1.00 0.00 C ATOM 445 CH2 TRP A 41 -5.504 13.059 4.024 1.00 0.00 C ATOM 0 H TRP A 41 -5.390 15.379 -1.161 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.213 17.975 -0.923 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.244 17.718 1.450 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.318 17.765 0.066 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.866 15.717 -0.298 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.609 13.850 1.253 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.767 15.657 2.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.516 12.462 3.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.519 13.865 4.328 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.396 12.300 4.785 1.00 0.00 H new ATOM 456 N CYS A 42 -2.468 15.667 0.356 1.00 0.00 N ATOM 457 CA CYS A 42 -1.106 15.339 0.859 1.00 0.00 C ATOM 458 C CYS A 42 -0.013 15.879 -0.086 1.00 0.00 C ATOM 459 O CYS A 42 1.137 16.087 0.316 1.00 0.00 O ATOM 460 CB CYS A 42 -1.067 13.801 0.989 1.00 0.00 C ATOM 461 SG CYS A 42 0.557 12.987 1.238 1.00 0.00 S ATOM 0 H CYS A 42 -2.965 14.853 -0.005 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.905 15.811 1.821 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.709 13.522 1.824 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.514 13.380 0.088 1.00 0.00 H new ATOM 466 N GLY A 43 -0.407 16.058 -1.336 1.00 0.00 N ATOM 467 CA GLY A 43 0.429 16.470 -2.467 1.00 0.00 C ATOM 468 C GLY A 43 0.492 15.304 -3.475 1.00 0.00 C ATOM 469 O GLY A 43 -0.402 14.439 -3.459 1.00 0.00 O ATOM 0 H GLY A 43 -1.378 15.912 -1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.014 17.359 -2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.431 16.729 -2.124 1.00 0.00 H new ATOM 473 N PRO A 44 1.520 15.261 -4.328 1.00 0.00 N ATOM 474 CA PRO A 44 1.728 14.114 -5.235 1.00 0.00 C ATOM 475 C PRO A 44 2.369 12.959 -4.440 1.00 0.00 C ATOM 476 O PRO A 44 3.497 12.523 -4.680 1.00 0.00 O ATOM 477 CB PRO A 44 2.624 14.616 -6.372 1.00 0.00 C ATOM 478 CG PRO A 44 3.074 16.036 -5.994 1.00 0.00 C ATOM 479 CD PRO A 44 2.421 16.387 -4.662 1.00 0.00 C ATOM 0 HA PRO A 44 0.798 13.730 -5.654 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.485 13.960 -6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.081 14.622 -7.317 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.160 16.085 -5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.780 16.749 -6.764 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.173 16.526 -3.885 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.864 17.321 -4.737 1.00 0.00 H new ATOM 487 N CYS A 45 1.526 12.343 -3.616 1.00 0.00 N ATOM 488 CA CYS A 45 1.952 11.296 -2.670 1.00 0.00 C ATOM 489 C CYS A 45 2.114 9.882 -3.245 1.00 0.00 C ATOM 490 O CYS A 45 2.378 8.930 -2.504 1.00 0.00 O ATOM 491 CB CYS A 45 1.078 11.393 -1.415 1.00 0.00 C ATOM 492 SG CYS A 45 1.423 12.997 -0.603 1.00 0.00 S ATOM 0 H CYS A 45 0.528 12.550 -3.579 1.00 0.00 H new ATOM 0 HA CYS A 45 2.988 11.499 -2.399 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.023 11.320 -1.679 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.295 10.568 -0.736 1.00 0.00 H new ATOM 497 N LYS A 46 2.353 9.854 -4.555 1.00 0.00 N ATOM 498 CA LYS A 46 2.589 8.632 -5.349 1.00 0.00 C ATOM 499 C LYS A 46 3.866 7.875 -4.962 1.00 0.00 C ATOM 500 O LYS A 46 3.945 6.674 -5.150 1.00 0.00 O ATOM 501 CB LYS A 46 2.692 8.988 -6.832 1.00 0.00 C ATOM 502 CG LYS A 46 1.379 9.518 -7.409 1.00 0.00 C ATOM 503 CD LYS A 46 0.322 8.413 -7.448 1.00 0.00 C ATOM 504 CE LYS A 46 -0.923 8.904 -8.173 1.00 0.00 C ATOM 505 NZ LYS A 46 -1.776 7.737 -8.374 1.00 0.00 N ATOM 0 H LYS A 46 2.391 10.704 -5.118 1.00 0.00 H new ATOM 0 HA LYS A 46 1.740 7.981 -5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.471 9.738 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.999 8.105 -7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.020 10.351 -6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.547 9.903 -8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.723 7.534 -7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.065 8.109 -6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.439 9.664 -7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.661 9.361 -9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.467 7.937 -9.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.191 6.923 -8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.279 7.518 -7.490 1.00 0.00 H new ATOM 519 N LEU A 47 4.805 8.611 -4.359 1.00 0.00 N ATOM 520 CA LEU A 47 6.139 8.152 -3.908 1.00 0.00 C ATOM 521 C LEU A 47 6.167 6.772 -3.239 1.00 0.00 C ATOM 522 O LEU A 47 7.081 5.977 -3.478 1.00 0.00 O ATOM 523 CB LEU A 47 6.714 9.218 -2.962 1.00 0.00 C ATOM 524 CG LEU A 47 7.064 10.504 -3.723 1.00 0.00 C ATOM 525 CD1 LEU A 47 7.156 11.682 -2.765 1.00 0.00 C ATOM 526 CD2 LEU A 47 8.358 10.330 -4.523 1.00 0.00 C ATOM 0 H LEU A 47 4.654 9.599 -4.157 1.00 0.00 H new ATOM 0 HA LEU A 47 6.748 8.028 -4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.990 9.441 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.606 8.829 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 47 6.265 10.713 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.405 12.585 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.198 11.818 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.931 11.488 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.585 11.255 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.176 10.091 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.235 9.520 -5.242 1.00 0.00 H new ATOM 538 N ILE A 48 5.132 6.476 -2.452 1.00 0.00 N ATOM 539 CA ILE A 48 4.969 5.173 -1.773 1.00 0.00 C ATOM 540 C ILE A 48 4.704 3.966 -2.696 1.00 0.00 C ATOM 541 O ILE A 48 5.201 2.874 -2.440 1.00 0.00 O ATOM 542 CB ILE A 48 3.960 5.204 -0.609 1.00 0.00 C ATOM 543 CG1 ILE A 48 2.812 6.216 -0.728 1.00 0.00 C ATOM 544 CG2 ILE A 48 4.727 5.376 0.701 1.00 0.00 C ATOM 545 CD1 ILE A 48 1.835 5.921 -1.870 1.00 0.00 C ATOM 0 H ILE A 48 4.374 7.132 -2.261 1.00 0.00 H new ATOM 0 HA ILE A 48 5.962 5.008 -1.354 1.00 0.00 H new ATOM 0 HB ILE A 48 3.439 4.247 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.260 6.236 0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.233 7.211 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.024 5.400 1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.416 4.542 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.289 6.310 0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.054 6.681 -1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.371 5.931 -2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.384 4.940 -1.719 1.00 0.00 H new ATOM 557 N ALA A 49 4.069 4.218 -3.846 1.00 0.00 N ATOM 558 CA ALA A 49 3.765 3.164 -4.834 1.00 0.00 C ATOM 559 C ALA A 49 4.979 2.370 -5.363 1.00 0.00 C ATOM 560 O ALA A 49 4.971 1.140 -5.229 1.00 0.00 O ATOM 561 CB ALA A 49 2.829 3.700 -5.934 1.00 0.00 C ATOM 0 H ALA A 49 3.752 5.148 -4.121 1.00 0.00 H new ATOM 0 HA ALA A 49 3.223 2.392 -4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.618 2.907 -6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.896 4.040 -5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.309 4.534 -6.446 1.00 0.00 H new ATOM 567 N PRO A 50 6.080 3.029 -5.751 1.00 0.00 N ATOM 568 CA PRO A 50 7.369 2.383 -6.103 1.00 0.00 C ATOM 569 C PRO A 50 7.916 1.514 -4.969 1.00 0.00 C ATOM 570 O PRO A 50 8.256 0.363 -5.213 1.00 0.00 O ATOM 571 CB PRO A 50 8.330 3.536 -6.362 1.00 0.00 C ATOM 572 CG PRO A 50 7.444 4.682 -6.843 1.00 0.00 C ATOM 573 CD PRO A 50 6.113 4.445 -6.117 1.00 0.00 C ATOM 0 HA PRO A 50 7.242 1.721 -6.960 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.873 3.809 -5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.074 3.270 -7.112 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.871 5.652 -6.589 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.318 4.663 -7.926 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.038 5.076 -5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.271 4.698 -6.761 1.00 0.00 H new ATOM 581 N VAL A 51 7.942 2.038 -3.735 1.00 0.00 N ATOM 582 CA VAL A 51 8.414 1.312 -2.534 1.00 0.00 C ATOM 583 C VAL A 51 7.596 0.040 -2.288 1.00 0.00 C ATOM 584 O VAL A 51 8.159 -1.055 -2.214 1.00 0.00 O ATOM 585 CB VAL A 51 8.450 2.270 -1.312 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.666 1.568 0.034 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.537 3.329 -1.513 1.00 0.00 C ATOM 0 H VAL A 51 7.633 2.989 -3.534 1.00 0.00 H new ATOM 0 HA VAL A 51 9.436 0.971 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 51 7.462 2.727 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.678 2.309 0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.857 0.859 0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.617 1.036 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.557 3.998 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.506 2.841 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.323 3.904 -2.414 1.00 0.00 H new ATOM 597 N ILE A 52 6.273 0.171 -2.356 1.00 0.00 N ATOM 598 CA ILE A 52 5.361 -0.971 -2.233 1.00 0.00 C ATOM 599 C ILE A 52 5.561 -1.972 -3.381 1.00 0.00 C ATOM 600 O ILE A 52 5.788 -3.151 -3.113 1.00 0.00 O ATOM 601 CB ILE A 52 3.923 -0.405 -2.020 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.633 -0.086 -0.549 1.00 0.00 C ATOM 603 CG2 ILE A 52 2.783 -1.258 -2.553 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.594 0.943 0.074 1.00 0.00 C ATOM 0 H ILE A 52 5.802 1.065 -2.497 1.00 0.00 H new ATOM 0 HA ILE A 52 5.575 -1.587 -1.359 1.00 0.00 H new ATOM 0 HB ILE A 52 3.945 0.504 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.613 0.288 -0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.683 -1.009 0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.833 -0.765 -2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.899 -1.389 -3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.799 -2.232 -2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.320 1.112 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.615 0.564 0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.528 1.882 -0.476 1.00 0.00 H new ATOM 616 N ASP A 53 5.828 -1.453 -4.580 1.00 0.00 N ATOM 617 CA ASP A 53 6.128 -2.300 -5.760 1.00 0.00 C ATOM 618 C ASP A 53 7.440 -3.089 -5.568 1.00 0.00 C ATOM 619 O ASP A 53 7.529 -4.275 -5.877 1.00 0.00 O ATOM 620 CB ASP A 53 6.179 -1.474 -7.047 1.00 0.00 C ATOM 621 CG ASP A 53 5.899 -2.308 -8.301 1.00 0.00 C ATOM 622 OD1 ASP A 53 4.702 -2.571 -8.535 1.00 0.00 O ATOM 623 OD2 ASP A 53 6.878 -2.607 -9.020 1.00 0.00 O ATOM 0 H ASP A 53 5.845 -0.451 -4.771 1.00 0.00 H new ATOM 0 HA ASP A 53 5.313 -3.017 -5.854 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.450 -0.666 -6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.161 -1.010 -7.137 1.00 0.00 H new ATOM 629 N GLU A 54 8.400 -2.419 -4.958 1.00 0.00 N ATOM 630 CA GLU A 54 9.712 -2.967 -4.613 1.00 0.00 C ATOM 631 C GLU A 54 9.669 -4.057 -3.532 1.00 0.00 C ATOM 632 O GLU A 54 10.375 -5.051 -3.656 1.00 0.00 O ATOM 633 CB GLU A 54 10.657 -1.880 -4.116 1.00 0.00 C ATOM 634 CG GLU A 54 11.204 -1.036 -5.275 1.00 0.00 C ATOM 635 CD GLU A 54 11.791 0.291 -4.785 1.00 0.00 C ATOM 636 OE1 GLU A 54 11.152 1.331 -5.083 1.00 0.00 O ATOM 637 OE2 GLU A 54 12.834 0.252 -4.109 1.00 0.00 O ATOM 0 H GLU A 54 8.291 -1.445 -4.677 1.00 0.00 H new ATOM 0 HA GLU A 54 10.069 -3.410 -5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.132 -1.235 -3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.486 -2.337 -3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.972 -1.600 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.405 -0.838 -5.989 1.00 0.00 H new ATOM 645 N LEU A 55 8.788 -3.880 -2.543 1.00 0.00 N ATOM 646 CA LEU A 55 8.586 -4.914 -1.506 1.00 0.00 C ATOM 647 C LEU A 55 8.227 -6.306 -2.064 1.00 0.00 C ATOM 648 O LEU A 55 8.697 -7.308 -1.539 1.00 0.00 O ATOM 649 CB LEU A 55 7.543 -4.453 -0.459 1.00 0.00 C ATOM 650 CG LEU A 55 8.003 -3.201 0.304 1.00 0.00 C ATOM 651 CD1 LEU A 55 6.883 -2.700 1.212 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.255 -3.428 1.149 1.00 0.00 C ATOM 0 H LEU A 55 8.209 -3.048 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 55 9.554 -5.033 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.597 -4.245 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.359 -5.261 0.249 1.00 0.00 H new ATOM 0 HG LEU A 55 8.252 -2.460 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.219 -1.813 1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.010 -2.451 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.619 -3.478 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.522 -2.503 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.060 -4.206 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.078 -3.738 0.505 1.00 0.00 H new ATOM 664 N ALA A 56 7.697 -6.302 -3.285 1.00 0.00 N ATOM 665 CA ALA A 56 7.408 -7.544 -4.033 1.00 0.00 C ATOM 666 C ALA A 56 8.721 -8.291 -4.343 1.00 0.00 C ATOM 667 O ALA A 56 8.984 -9.333 -3.757 1.00 0.00 O ATOM 668 CB ALA A 56 6.675 -7.194 -5.333 1.00 0.00 C ATOM 0 H ALA A 56 7.454 -5.449 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 56 6.775 -8.194 -3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.460 -8.108 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.741 -6.684 -5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.302 -6.541 -5.940 1.00 0.00 H new ATOM 674 N LYS A 57 9.623 -7.571 -5.015 1.00 0.00 N ATOM 675 CA LYS A 57 10.977 -8.056 -5.390 1.00 0.00 C ATOM 676 C LYS A 57 11.846 -8.374 -4.165 1.00 0.00 C ATOM 677 O LYS A 57 12.573 -9.355 -4.155 1.00 0.00 O ATOM 678 CB LYS A 57 11.746 -7.004 -6.182 1.00 0.00 C ATOM 679 CG LYS A 57 10.935 -6.330 -7.273 1.00 0.00 C ATOM 680 CD LYS A 57 11.867 -5.467 -8.121 1.00 0.00 C ATOM 681 CE LYS A 57 11.040 -4.427 -8.851 1.00 0.00 C ATOM 682 NZ LYS A 57 10.595 -3.466 -7.837 1.00 0.00 N ATOM 0 H LYS A 57 9.441 -6.616 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 57 10.800 -8.955 -5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.111 -6.242 -5.493 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.621 -7.472 -6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.445 -7.079 -7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.149 -5.716 -6.834 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.611 -4.982 -7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.410 -6.087 -8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.631 -3.932 -9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.188 -4.888 -9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.568 -2.512 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.644 -3.727 -7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.257 -3.476 -7.035 1.00 0.00 H new ATOM 696 N GLU A 58 11.675 -7.539 -3.140 1.00 0.00 N ATOM 697 CA GLU A 58 12.391 -7.669 -1.856 1.00 0.00 C ATOM 698 C GLU A 58 12.260 -9.078 -1.262 1.00 0.00 C ATOM 699 O GLU A 58 13.198 -9.580 -0.643 1.00 0.00 O ATOM 700 CB GLU A 58 11.780 -6.696 -0.858 1.00 0.00 C ATOM 701 CG GLU A 58 12.884 -5.879 -0.203 1.00 0.00 C ATOM 702 CD GLU A 58 12.679 -4.410 -0.558 1.00 0.00 C ATOM 703 OE1 GLU A 58 12.925 -4.040 -1.731 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.232 -3.690 0.359 1.00 0.00 O ATOM 0 H GLU A 58 11.034 -6.746 -3.170 1.00 0.00 H new ATOM 0 HA GLU A 58 13.445 -7.462 -2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.075 -6.035 -1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.218 -7.241 -0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.863 -6.013 0.878 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.861 -6.219 -0.547 1.00 0.00 H new ATOM 712 N TYR A 59 11.051 -9.622 -1.377 1.00 0.00 N ATOM 713 CA TYR A 59 10.767 -11.001 -0.928 1.00 0.00 C ATOM 714 C TYR A 59 10.282 -11.900 -2.083 1.00 0.00 C ATOM 715 O TYR A 59 9.349 -12.693 -1.950 1.00 0.00 O ATOM 716 CB TYR A 59 9.707 -10.979 0.173 1.00 0.00 C ATOM 717 CG TYR A 59 9.661 -9.800 1.147 1.00 0.00 C ATOM 718 CD1 TYR A 59 10.768 -9.522 1.979 1.00 0.00 C ATOM 719 CD2 TYR A 59 8.580 -8.920 0.985 1.00 0.00 C ATOM 720 CE1 TYR A 59 10.816 -8.262 2.607 1.00 0.00 C ATOM 721 CE2 TYR A 59 8.637 -7.670 1.613 1.00 0.00 C ATOM 722 CZ TYR A 59 9.776 -7.347 2.385 1.00 0.00 C ATOM 723 OH TYR A 59 10.001 -6.027 2.590 1.00 0.00 O ATOM 0 H TYR A 59 10.247 -9.137 -1.776 1.00 0.00 H new ATOM 0 HA TYR A 59 11.700 -11.418 -0.548 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.732 -11.043 -0.310 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.830 -11.887 0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.551 -10.251 2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.724 -9.201 0.390 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.643 -8.004 3.251 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.825 -6.965 1.509 1.00 0.00 H new ATOM 0 HH TYR A 59 10.605 -5.687 1.898 1.00 0.00 H new ATOM 733 N SER A 60 10.939 -11.704 -3.221 1.00 0.00 N ATOM 734 CA SER A 60 10.720 -12.392 -4.518 1.00 0.00 C ATOM 735 C SER A 60 9.345 -12.078 -5.151 1.00 0.00 C ATOM 736 O SER A 60 9.300 -11.511 -6.245 1.00 0.00 O ATOM 737 CB SER A 60 10.962 -13.903 -4.444 1.00 0.00 C ATOM 738 OG SER A 60 10.858 -14.451 -5.760 1.00 0.00 O ATOM 0 H SER A 60 11.691 -11.018 -3.281 1.00 0.00 H new ATOM 0 HA SER A 60 11.478 -11.977 -5.183 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.948 -14.107 -4.027 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.233 -14.370 -3.782 1.00 0.00 H new ATOM 0 HG SER A 60 11.013 -15.418 -5.725 1.00 0.00 H new ATOM 744 N GLY A 61 8.285 -12.513 -4.479 1.00 0.00 N ATOM 745 CA GLY A 61 6.873 -12.300 -4.852 1.00 0.00 C ATOM 746 C GLY A 61 5.934 -12.717 -3.714 1.00 0.00 C ATOM 747 O GLY A 61 4.980 -13.464 -3.927 1.00 0.00 O ATOM 0 H GLY A 61 8.381 -13.050 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.712 -11.250 -5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.640 -12.874 -5.749 1.00 0.00 H new ATOM 751 N LYS A 62 6.223 -12.189 -2.528 1.00 0.00 N ATOM 752 CA LYS A 62 5.500 -12.554 -1.289 1.00 0.00 C ATOM 753 C LYS A 62 4.127 -11.909 -1.025 1.00 0.00 C ATOM 754 O LYS A 62 3.293 -12.523 -0.373 1.00 0.00 O ATOM 755 CB LYS A 62 6.439 -12.376 -0.094 1.00 0.00 C ATOM 756 CG LYS A 62 6.724 -13.768 0.483 1.00 0.00 C ATOM 757 CD LYS A 62 7.985 -13.881 1.341 1.00 0.00 C ATOM 758 CE LYS A 62 7.954 -13.001 2.594 1.00 0.00 C ATOM 759 NZ LYS A 62 9.269 -13.008 3.261 1.00 0.00 N ATOM 0 H LYS A 62 6.960 -11.498 -2.387 1.00 0.00 H new ATOM 0 HA LYS A 62 5.220 -13.596 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.366 -11.893 -0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.982 -11.735 0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.868 -14.075 1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.803 -14.475 -0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.119 -14.921 1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.851 -13.609 0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.682 -11.981 2.323 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.189 -13.363 3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.402 -12.114 3.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.315 -13.803 3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.019 -13.111 2.548 1.00 0.00 H new ATOM 773 N ILE A 63 3.955 -10.667 -1.453 1.00 0.00 N ATOM 774 CA ILE A 63 2.688 -9.932 -1.279 1.00 0.00 C ATOM 775 C ILE A 63 2.209 -9.330 -2.604 1.00 0.00 C ATOM 776 O ILE A 63 2.999 -8.883 -3.437 1.00 0.00 O ATOM 777 CB ILE A 63 2.728 -8.816 -0.218 1.00 0.00 C ATOM 778 CG1 ILE A 63 3.756 -7.708 -0.497 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.774 -9.363 1.215 1.00 0.00 C ATOM 780 CD1 ILE A 63 5.234 -8.058 -0.347 1.00 0.00 C ATOM 0 H ILE A 63 4.681 -10.132 -1.930 1.00 0.00 H new ATOM 0 HA ILE A 63 1.989 -10.688 -0.920 1.00 0.00 H new ATOM 0 HB ILE A 63 1.770 -8.303 -0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.597 -7.352 -1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.539 -6.874 0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.801 -8.533 1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.888 -9.969 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.666 -9.976 1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.840 -7.181 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.430 -8.379 0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.489 -8.864 -1.035 1.00 0.00 H new ATOM 792 N ALA A 64 0.887 -9.275 -2.725 1.00 0.00 N ATOM 793 CA ALA A 64 0.231 -8.577 -3.838 1.00 0.00 C ATOM 794 C ALA A 64 0.180 -7.072 -3.491 1.00 0.00 C ATOM 795 O ALA A 64 -0.414 -6.652 -2.504 1.00 0.00 O ATOM 796 CB ALA A 64 -1.149 -9.190 -4.039 1.00 0.00 C ATOM 0 H ALA A 64 0.241 -9.707 -2.064 1.00 0.00 H new ATOM 0 HA ALA A 64 0.774 -8.683 -4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.655 -8.686 -4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.046 -10.250 -4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.735 -9.074 -3.127 1.00 0.00 H new ATOM 802 N VAL A 65 1.087 -6.367 -4.154 1.00 0.00 N ATOM 803 CA VAL A 65 1.408 -4.952 -3.911 1.00 0.00 C ATOM 804 C VAL A 65 0.433 -3.946 -4.561 1.00 0.00 C ATOM 805 O VAL A 65 0.489 -3.670 -5.757 1.00 0.00 O ATOM 806 CB VAL A 65 2.883 -4.698 -4.278 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.800 -5.385 -3.259 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.307 -5.085 -5.700 1.00 0.00 C ATOM 0 H VAL A 65 1.645 -6.773 -4.906 1.00 0.00 H new ATOM 0 HA VAL A 65 1.269 -4.764 -2.846 1.00 0.00 H new ATOM 0 HB VAL A 65 2.987 -3.613 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.841 -5.201 -3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.603 -4.985 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.609 -6.458 -3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.364 -4.859 -5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.141 -6.151 -5.852 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.718 -4.520 -6.422 1.00 0.00 H new ATOM 818 N TYR A 66 -0.393 -3.338 -3.717 1.00 0.00 N ATOM 819 CA TYR A 66 -1.449 -2.406 -4.153 1.00 0.00 C ATOM 820 C TYR A 66 -1.319 -0.955 -3.682 1.00 0.00 C ATOM 821 O TYR A 66 -0.798 -0.622 -2.615 1.00 0.00 O ATOM 822 CB TYR A 66 -2.822 -2.918 -3.721 1.00 0.00 C ATOM 823 CG TYR A 66 -3.183 -4.265 -4.310 1.00 0.00 C ATOM 824 CD1 TYR A 66 -3.084 -4.467 -5.709 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.393 -5.330 -3.419 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.148 -5.776 -6.211 1.00 0.00 C ATOM 827 CE2 TYR A 66 -3.458 -6.649 -3.924 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.327 -6.841 -5.315 1.00 0.00 C ATOM 829 OH TYR A 66 -3.435 -8.086 -5.848 1.00 0.00 O ATOM 0 H TYR A 66 -0.356 -3.472 -2.707 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.330 -2.382 -5.236 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.848 -2.988 -2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.579 -2.190 -4.011 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.961 -3.628 -6.378 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.503 -5.144 -2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.061 -5.961 -7.271 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.604 -7.489 -3.261 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.922 -8.131 -6.682 1.00 0.00 H new ATOM 839 N LYS A 67 -1.922 -0.117 -4.513 1.00 0.00 N ATOM 840 CA LYS A 67 -1.976 1.342 -4.328 1.00 0.00 C ATOM 841 C LYS A 67 -3.310 1.914 -4.793 1.00 0.00 C ATOM 842 O LYS A 67 -3.880 1.483 -5.804 1.00 0.00 O ATOM 843 CB LYS A 67 -0.849 2.118 -5.045 1.00 0.00 C ATOM 844 CG LYS A 67 -0.075 1.362 -6.125 1.00 0.00 C ATOM 845 CD LYS A 67 1.046 0.513 -5.508 1.00 0.00 C ATOM 846 CE LYS A 67 1.776 -0.246 -6.611 1.00 0.00 C ATOM 847 NZ LYS A 67 2.845 -1.077 -6.046 1.00 0.00 N ATOM 0 H LYS A 67 -2.401 -0.431 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.845 1.478 -3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.284 3.009 -5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.138 2.459 -4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.756 0.720 -6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.350 2.071 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.745 1.152 -4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.630 -0.188 -4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.071 -0.873 -7.157 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.197 0.459 -7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.406 -1.493 -6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.461 -0.491 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.427 -1.838 -5.473 1.00 0.00 H new ATOM 861 N LEU A 68 -3.902 2.674 -3.882 1.00 0.00 N ATOM 862 CA LEU A 68 -5.144 3.398 -4.206 1.00 0.00 C ATOM 863 C LEU A 68 -5.170 4.878 -3.822 1.00 0.00 C ATOM 864 O LEU A 68 -4.484 5.352 -2.915 1.00 0.00 O ATOM 865 CB LEU A 68 -6.413 2.639 -3.764 1.00 0.00 C ATOM 866 CG LEU A 68 -6.775 2.507 -2.270 1.00 0.00 C ATOM 867 CD1 LEU A 68 -5.614 1.993 -1.406 1.00 0.00 C ATOM 868 CD2 LEU A 68 -7.410 3.766 -1.713 1.00 0.00 C ATOM 0 H LEU A 68 -3.560 2.810 -2.931 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.149 3.420 -5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.260 3.116 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.338 1.629 -4.166 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.539 1.731 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.936 1.924 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.308 1.008 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.773 2.682 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.645 3.619 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.716 4.600 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.326 3.985 -2.262 1.00 0.00 H new ATOM 880 N ASN A 69 -5.946 5.563 -4.657 1.00 0.00 N ATOM 881 CA ASN A 69 -6.265 6.994 -4.528 1.00 0.00 C ATOM 882 C ASN A 69 -7.340 7.050 -3.433 1.00 0.00 C ATOM 883 O ASN A 69 -8.504 6.740 -3.681 1.00 0.00 O ATOM 884 CB ASN A 69 -6.787 7.520 -5.880 1.00 0.00 C ATOM 885 CG ASN A 69 -5.900 7.228 -7.100 1.00 0.00 C ATOM 886 OD1 ASN A 69 -4.790 6.709 -7.041 1.00 0.00 O ATOM 887 ND2 ASN A 69 -6.444 7.408 -8.281 1.00 0.00 N ATOM 0 H ASN A 69 -6.387 5.131 -5.469 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.408 7.614 -4.266 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.772 7.090 -6.060 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.920 8.599 -5.801 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.945 7.119 -9.122 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.366 7.837 -8.358 1.00 0.00 H new ATOM 894 N THR A 70 -6.883 7.313 -2.213 1.00 0.00 N ATOM 895 CA THR A 70 -7.765 7.212 -1.029 1.00 0.00 C ATOM 896 C THR A 70 -9.105 7.960 -1.143 1.00 0.00 C ATOM 897 O THR A 70 -10.171 7.390 -0.987 1.00 0.00 O ATOM 898 CB THR A 70 -7.050 7.574 0.285 1.00 0.00 C ATOM 899 OG1 THR A 70 -7.882 7.117 1.365 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.709 9.043 0.499 1.00 0.00 C ATOM 0 H THR A 70 -5.924 7.594 -2.007 1.00 0.00 H new ATOM 0 HA THR A 70 -8.020 6.153 -1.002 1.00 0.00 H new ATOM 0 HB THR A 70 -6.077 7.085 0.240 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.454 7.331 2.220 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.209 9.164 1.460 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.049 9.383 -0.299 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.625 9.634 0.489 1.00 0.00 H new ATOM 908 N ASP A 71 -8.970 9.116 -1.777 1.00 0.00 N ATOM 909 CA ASP A 71 -10.089 10.024 -2.099 1.00 0.00 C ATOM 910 C ASP A 71 -11.064 9.487 -3.170 1.00 0.00 C ATOM 911 O ASP A 71 -12.186 9.965 -3.263 1.00 0.00 O ATOM 912 CB ASP A 71 -9.576 11.419 -2.490 1.00 0.00 C ATOM 913 CG ASP A 71 -8.981 12.162 -1.284 1.00 0.00 C ATOM 914 OD1 ASP A 71 -7.936 11.685 -0.780 1.00 0.00 O ATOM 915 OD2 ASP A 71 -9.530 13.226 -0.940 1.00 0.00 O ATOM 0 H ASP A 71 -8.066 9.466 -2.093 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.669 10.093 -1.179 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.819 11.324 -3.269 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.394 12.003 -2.910 1.00 0.00 H new ATOM 921 N GLU A 72 -10.601 8.549 -3.989 1.00 0.00 N ATOM 922 CA GLU A 72 -11.460 7.854 -4.973 1.00 0.00 C ATOM 923 C GLU A 72 -12.252 6.702 -4.314 1.00 0.00 C ATOM 924 O GLU A 72 -13.317 6.293 -4.801 1.00 0.00 O ATOM 925 CB GLU A 72 -10.561 7.330 -6.090 1.00 0.00 C ATOM 926 CG GLU A 72 -11.328 7.036 -7.390 1.00 0.00 C ATOM 927 CD GLU A 72 -10.391 6.752 -8.570 1.00 0.00 C ATOM 928 OE1 GLU A 72 -9.255 7.284 -8.566 1.00 0.00 O ATOM 929 OE2 GLU A 72 -10.841 6.061 -9.508 1.00 0.00 O ATOM 0 H GLU A 72 -9.628 8.242 -3.999 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.197 8.548 -5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.779 8.062 -6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.065 6.420 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.984 6.179 -7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.966 7.886 -7.632 1.00 0.00 H new ATOM 937 N ALA A 73 -11.711 6.186 -3.208 1.00 0.00 N ATOM 938 CA ALA A 73 -12.340 5.107 -2.418 1.00 0.00 C ATOM 939 C ALA A 73 -12.393 5.474 -0.919 1.00 0.00 C ATOM 940 O ALA A 73 -11.844 4.750 -0.080 1.00 0.00 O ATOM 941 CB ALA A 73 -11.570 3.815 -2.711 1.00 0.00 C ATOM 0 H ALA A 73 -10.819 6.502 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.382 4.962 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.008 2.994 -2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.627 3.591 -3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.526 3.940 -2.422 1.00 0.00 H new ATOM 947 N PRO A 74 -13.173 6.506 -0.534 1.00 0.00 N ATOM 948 CA PRO A 74 -13.256 6.986 0.865 1.00 0.00 C ATOM 949 C PRO A 74 -13.772 5.889 1.821 1.00 0.00 C ATOM 950 O PRO A 74 -13.177 5.683 2.875 1.00 0.00 O ATOM 951 CB PRO A 74 -14.245 8.151 0.861 1.00 0.00 C ATOM 952 CG PRO A 74 -14.350 8.569 -0.604 1.00 0.00 C ATOM 953 CD PRO A 74 -14.105 7.279 -1.385 1.00 0.00 C ATOM 0 HA PRO A 74 -12.266 7.277 1.216 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.215 7.848 1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.890 8.973 1.482 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.330 8.989 -0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.612 9.331 -0.854 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.034 6.734 -1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.673 7.483 -2.364 1.00 0.00 H new ATOM 961 N GLY A 75 -14.692 5.061 1.321 1.00 0.00 N ATOM 962 CA GLY A 75 -15.322 3.921 2.016 1.00 0.00 C ATOM 963 C GLY A 75 -14.291 2.914 2.563 1.00 0.00 C ATOM 964 O GLY A 75 -14.448 2.384 3.656 1.00 0.00 O ATOM 0 H GLY A 75 -15.041 5.168 0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.931 4.294 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.995 3.409 1.328 1.00 0.00 H new ATOM 968 N ILE A 76 -13.202 2.749 1.809 1.00 0.00 N ATOM 969 CA ILE A 76 -12.065 1.916 2.216 1.00 0.00 C ATOM 970 C ILE A 76 -11.335 2.533 3.425 1.00 0.00 C ATOM 971 O ILE A 76 -11.375 1.974 4.517 1.00 0.00 O ATOM 972 CB ILE A 76 -11.190 1.688 0.969 1.00 0.00 C ATOM 973 CG1 ILE A 76 -11.913 0.883 -0.111 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.824 1.083 1.271 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.570 -0.419 0.390 1.00 0.00 C ATOM 0 H ILE A 76 -13.082 3.190 0.897 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.383 0.938 2.577 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.003 2.689 0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.681 1.512 -0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.201 0.636 -0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.270 0.954 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.270 1.747 1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.954 0.114 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.059 -0.924 -0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.807 -1.072 0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.309 -0.182 1.155 1.00 0.00 H new ATOM 987 N ALA A 77 -10.909 3.772 3.237 1.00 0.00 N ATOM 988 CA ALA A 77 -10.263 4.584 4.294 1.00 0.00 C ATOM 989 C ALA A 77 -11.103 4.637 5.583 1.00 0.00 C ATOM 990 O ALA A 77 -10.565 4.410 6.660 1.00 0.00 O ATOM 991 CB ALA A 77 -9.992 5.987 3.754 1.00 0.00 C ATOM 0 H ALA A 77 -10.996 4.259 2.345 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.320 4.109 4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.516 6.589 4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.333 5.923 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.933 6.452 3.460 1.00 0.00 H new ATOM 997 N THR A 78 -12.434 4.673 5.426 1.00 0.00 N ATOM 998 CA THR A 78 -13.408 4.554 6.536 1.00 0.00 C ATOM 999 C THR A 78 -13.259 3.208 7.266 1.00 0.00 C ATOM 1000 O THR A 78 -12.890 3.164 8.440 1.00 0.00 O ATOM 1001 CB THR A 78 -14.803 4.586 5.911 1.00 0.00 C ATOM 1002 OG1 THR A 78 -14.983 5.811 5.189 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.989 4.388 6.852 1.00 0.00 C ATOM 0 H THR A 78 -12.877 4.787 4.514 1.00 0.00 H new ATOM 0 HA THR A 78 -13.243 5.361 7.249 1.00 0.00 H new ATOM 0 HB THR A 78 -14.815 3.710 5.262 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.522 5.753 4.326 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.917 4.433 6.282 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.909 3.416 7.339 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.989 5.174 7.608 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.456 2.132 6.510 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.510 0.739 6.982 1.00 0.00 C ATOM 1013 C GLN A 79 -12.270 0.313 7.789 1.00 0.00 C ATOM 1014 O GLN A 79 -12.364 -0.468 8.732 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.670 -0.176 5.754 1.00 0.00 C ATOM 1016 CG GLN A 79 -13.873 -1.659 6.059 1.00 0.00 C ATOM 1017 CD GLN A 79 -15.264 -1.955 6.627 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -16.221 -2.200 5.915 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -15.374 -2.030 7.935 1.00 0.00 N ATOM 0 H GLN A 79 -13.590 2.204 5.501 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.356 0.652 7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.520 0.176 5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.785 -0.070 5.126 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.726 -2.238 5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.116 -1.987 6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -14.569 -1.824 8.527 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -16.264 -2.294 8.358 1.00 0.00 H new ATOM 1028 N TYR A 80 -11.135 0.879 7.394 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.812 0.603 7.982 1.00 0.00 C ATOM 1030 C TYR A 80 -9.321 1.673 8.971 1.00 0.00 C ATOM 1031 O TYR A 80 -8.197 1.596 9.472 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.807 0.437 6.834 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.157 -0.742 5.916 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.315 -2.025 6.487 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.687 -0.438 4.637 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.069 -2.996 5.810 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.450 -1.407 3.957 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.639 -2.670 4.556 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.282 -3.638 3.852 1.00 0.00 O ATOM 0 H TYR A 80 -11.099 1.561 6.637 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.902 -0.308 8.574 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.776 1.355 6.247 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.809 0.289 7.247 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.859 -2.257 7.438 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.507 0.528 4.188 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.212 -3.977 6.239 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.883 -1.187 2.993 1.00 0.00 H new ATOM 0 HH TYR A 80 -11.927 -3.224 3.241 1.00 0.00 H new ATOM 1049 N ASN A 81 -10.182 2.647 9.248 1.00 0.00 N ATOM 1050 CA ASN A 81 -9.913 3.819 10.123 1.00 0.00 C ATOM 1051 C ASN A 81 -8.595 4.548 9.763 1.00 0.00 C ATOM 1052 O ASN A 81 -7.908 5.153 10.581 1.00 0.00 O ATOM 1053 CB ASN A 81 -9.987 3.393 11.593 1.00 0.00 C ATOM 1054 CG ASN A 81 -10.590 4.520 12.443 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -9.831 5.565 12.645 1.00 0.00 O flip ATOM 1056 ND2 ASN A 81 -11.705 4.438 12.945 1.00 0.00 N flip ATOM 0 H ASN A 81 -11.126 2.657 8.862 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.690 4.563 9.950 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.593 2.492 11.688 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.990 3.146 11.958 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.282 3.614 12.775 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.056 5.194 13.533 1.00 0.00 H new ATOM 1063 N ILE A 82 -8.355 4.606 8.452 1.00 0.00 N ATOM 1064 CA ILE A 82 -7.185 5.293 7.886 1.00 0.00 C ATOM 1065 C ILE A 82 -7.592 6.693 7.418 1.00 0.00 C ATOM 1066 O ILE A 82 -8.428 6.899 6.542 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.313 4.438 6.931 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -5.307 5.187 6.051 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -7.000 3.352 6.112 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -5.802 6.171 4.987 1.00 0.00 C ATOM 0 H ILE A 82 -8.962 4.180 7.752 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.450 5.447 8.676 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.752 3.923 7.711 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.641 5.737 6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.701 4.438 5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.262 2.841 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.471 2.634 6.783 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.759 3.803 5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.948 6.603 4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.436 5.646 4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.375 6.966 5.465 1.00 0.00 H new ATOM 1082 N ARG A 83 -7.142 7.571 8.288 1.00 0.00 N ATOM 1083 CA ARG A 83 -7.238 9.039 8.139 1.00 0.00 C ATOM 1084 C ARG A 83 -5.890 9.583 7.649 1.00 0.00 C ATOM 1085 O ARG A 83 -5.819 10.412 6.750 1.00 0.00 O ATOM 1086 CB ARG A 83 -7.573 9.654 9.505 1.00 0.00 C ATOM 1087 CG ARG A 83 -8.879 9.074 10.037 1.00 0.00 C ATOM 1088 CD ARG A 83 -9.122 9.452 11.495 1.00 0.00 C ATOM 1089 NE ARG A 83 -10.302 8.677 11.928 1.00 0.00 N ATOM 1090 CZ ARG A 83 -10.577 8.321 13.174 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -9.728 8.564 14.163 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -11.652 7.597 13.454 1.00 0.00 N ATOM 0 H ARG A 83 -6.681 7.291 9.154 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.016 9.294 7.419 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.765 9.456 10.209 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.658 10.737 9.414 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.709 9.431 9.427 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.858 7.988 9.943 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.253 9.215 12.109 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.301 10.523 11.595 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.962 8.391 11.205 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.843 9.034 13.972 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.960 8.281 15.115 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.280 7.306 12.705 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.850 7.331 14.418 1.00 0.00 H new ATOM 1106 N SER A 84 -4.834 8.947 8.154 1.00 0.00 N ATOM 1107 CA SER A 84 -3.431 9.263 7.872 1.00 0.00 C ATOM 1108 C SER A 84 -2.954 8.708 6.527 1.00 0.00 C ATOM 1109 O SER A 84 -3.044 7.524 6.228 1.00 0.00 O ATOM 1110 CB SER A 84 -2.565 8.685 8.992 1.00 0.00 C ATOM 1111 OG SER A 84 -2.962 7.331 9.255 1.00 0.00 O ATOM 0 H SER A 84 -4.935 8.163 8.799 1.00 0.00 H new ATOM 0 HA SER A 84 -3.341 10.348 7.819 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.514 8.718 8.707 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.669 9.287 9.894 1.00 0.00 H new ATOM 0 HG SER A 84 -2.520 6.731 8.619 1.00 0.00 H new ATOM 1117 N ILE A 85 -2.394 9.613 5.741 1.00 0.00 N ATOM 1118 CA ILE A 85 -1.744 9.270 4.469 1.00 0.00 C ATOM 1119 C ILE A 85 -0.251 9.603 4.625 1.00 0.00 C ATOM 1120 O ILE A 85 0.054 10.760 4.924 1.00 0.00 O ATOM 1121 CB ILE A 85 -2.456 9.982 3.288 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -3.679 9.179 2.840 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -1.562 10.244 2.078 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -4.938 9.489 3.652 1.00 0.00 C ATOM 0 H ILE A 85 -2.373 10.609 5.959 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.825 8.210 4.228 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.750 10.957 3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.874 9.385 1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.456 8.115 2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.139 10.744 1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.726 10.878 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.181 9.297 1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.767 8.886 3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.760 9.257 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.185 10.546 3.551 1.00 0.00 H new ATOM 1136 N PRO A 86 0.623 8.630 4.344 1.00 0.00 N ATOM 1137 CA PRO A 86 0.295 7.251 3.924 1.00 0.00 C ATOM 1138 C PRO A 86 0.171 6.253 5.096 1.00 0.00 C ATOM 1139 O PRO A 86 0.824 6.399 6.129 1.00 0.00 O ATOM 1140 CB PRO A 86 1.450 6.874 3.000 1.00 0.00 C ATOM 1141 CG PRO A 86 2.656 7.636 3.553 1.00 0.00 C ATOM 1142 CD PRO A 86 2.074 8.881 4.236 1.00 0.00 C ATOM 0 HA PRO A 86 -0.684 7.208 3.447 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.626 5.798 3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.241 7.159 1.969 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.216 7.025 4.261 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.346 7.912 2.755 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.520 9.034 5.219 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.274 9.779 3.652 1.00 0.00 H new ATOM 1150 N THR A 87 -0.630 5.226 4.869 1.00 0.00 N ATOM 1151 CA THR A 87 -0.814 4.121 5.841 1.00 0.00 C ATOM 1152 C THR A 87 -0.836 2.794 5.081 1.00 0.00 C ATOM 1153 O THR A 87 -1.807 2.462 4.399 1.00 0.00 O ATOM 1154 CB THR A 87 -2.055 4.288 6.746 1.00 0.00 C ATOM 1155 OG1 THR A 87 -1.892 5.521 7.453 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.336 3.125 7.694 1.00 0.00 C ATOM 0 H THR A 87 -1.176 5.119 4.014 1.00 0.00 H new ATOM 0 HA THR A 87 0.030 4.139 6.530 1.00 0.00 H new ATOM 0 HB THR A 87 -2.939 4.298 6.108 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.117 6.269 6.862 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.227 3.343 8.283 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.497 2.215 7.116 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.485 2.986 8.361 1.00 0.00 H new ATOM 1164 N VAL A 88 0.216 2.042 5.327 1.00 0.00 N ATOM 1165 CA VAL A 88 0.379 0.740 4.655 1.00 0.00 C ATOM 1166 C VAL A 88 -0.155 -0.395 5.539 1.00 0.00 C ATOM 1167 O VAL A 88 0.248 -0.549 6.698 1.00 0.00 O ATOM 1168 CB VAL A 88 1.803 0.537 4.107 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.862 0.421 5.208 1.00 0.00 C ATOM 1170 CG2 VAL A 88 1.883 -0.677 3.170 1.00 0.00 C ATOM 0 H VAL A 88 0.966 2.290 5.972 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.240 0.725 3.758 1.00 0.00 H new ATOM 0 HB VAL A 88 2.026 1.439 3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.843 0.279 4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.866 1.332 5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.631 -0.431 5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.904 -0.787 2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.594 -1.576 3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.209 -0.530 2.326 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.177 -1.041 5.003 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.862 -2.154 5.682 1.00 0.00 C ATOM 1182 C LEU A 89 -1.424 -3.476 5.053 1.00 0.00 C ATOM 1183 O LEU A 89 -1.335 -3.606 3.830 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.383 -2.068 5.549 1.00 0.00 C ATOM 1185 CG LEU A 89 -3.912 -0.668 5.800 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -5.236 -0.445 5.072 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -4.131 -0.315 7.271 1.00 0.00 C ATOM 0 H LEU A 89 -1.563 -0.817 4.086 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.595 -2.096 6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.675 -2.389 4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.845 -2.759 6.254 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.124 -0.018 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.593 0.566 5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.088 -0.576 4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.972 -1.166 5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.510 0.704 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.854 -1.005 7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.186 -0.393 7.808 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.324 -4.456 5.939 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.861 -5.821 5.647 1.00 0.00 C ATOM 1201 C PHE A 90 -1.964 -6.813 5.983 1.00 0.00 C ATOM 1202 O PHE A 90 -2.534 -6.840 7.077 1.00 0.00 O ATOM 1203 CB PHE A 90 0.420 -6.175 6.408 1.00 0.00 C ATOM 1204 CG PHE A 90 1.554 -5.179 6.205 1.00 0.00 C ATOM 1205 CD1 PHE A 90 1.557 -3.964 6.923 1.00 0.00 C ATOM 1206 CD2 PHE A 90 2.449 -5.412 5.142 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.448 -2.943 6.554 1.00 0.00 C ATOM 1208 CE2 PHE A 90 3.357 -4.384 4.785 1.00 0.00 C ATOM 1209 CZ PHE A 90 3.337 -3.163 5.482 1.00 0.00 C ATOM 0 H PHE A 90 -1.570 -4.326 6.920 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.625 -5.873 4.584 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.193 -6.240 7.472 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.757 -7.163 6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.878 -3.820 7.751 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.443 -6.353 4.611 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.452 -2.002 7.084 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.061 -4.538 3.981 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.017 -2.377 5.190 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.273 -7.544 4.933 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.359 -8.537 4.794 1.00 0.00 C ATOM 1221 C PHE A 91 -2.799 -9.939 4.522 1.00 0.00 C ATOM 1222 O PHE A 91 -1.726 -10.122 3.953 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.252 -8.116 3.634 1.00 0.00 C ATOM 1224 CG PHE A 91 -4.988 -6.796 3.884 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -6.304 -6.857 4.403 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -4.439 -5.589 3.399 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -7.100 -5.692 4.409 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -5.239 -4.427 3.414 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.556 -4.490 3.909 1.00 0.00 C ATOM 0 H PHE A 91 -1.734 -7.464 4.071 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.925 -8.575 5.725 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.645 -8.021 2.733 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.983 -8.901 3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.695 -7.786 4.791 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.427 -5.556 3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -8.110 -5.720 4.790 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.843 -3.492 3.047 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.164 -3.597 3.906 1.00 0.00 H new ATOM 1239 N LYS A 92 -3.562 -10.890 5.051 1.00 0.00 N ATOM 1240 CA LYS A 92 -3.313 -12.319 4.829 1.00 0.00 C ATOM 1241 C LYS A 92 -4.575 -13.072 4.359 1.00 0.00 C ATOM 1242 O LYS A 92 -5.066 -12.823 3.254 1.00 0.00 O ATOM 1243 CB LYS A 92 -2.653 -12.886 6.102 1.00 0.00 C ATOM 1244 CG LYS A 92 -2.150 -14.323 6.001 1.00 0.00 C ATOM 1245 CD LYS A 92 -1.026 -14.446 4.974 1.00 0.00 C ATOM 1246 CE LYS A 92 -0.457 -15.858 5.008 1.00 0.00 C ATOM 1247 NZ LYS A 92 0.654 -15.916 4.060 1.00 0.00 N ATOM 0 H LYS A 92 -4.369 -10.698 5.644 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.622 -12.465 3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.814 -12.245 6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.372 -12.829 6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.793 -14.655 6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.974 -14.980 5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.404 -14.219 3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.241 -13.721 5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.115 -16.108 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.224 -16.585 4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.428 -16.480 4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.332 -16.356 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.994 -14.953 3.864 1.00 0.00 H new ATOM 1261 N ASN A 93 -5.247 -13.769 5.268 1.00 0.00 N ATOM 1262 CA ASN A 93 -6.382 -14.669 4.966 1.00 0.00 C ATOM 1263 C ASN A 93 -7.736 -13.931 4.934 1.00 0.00 C ATOM 1264 O ASN A 93 -8.691 -14.292 5.615 1.00 0.00 O ATOM 1265 CB ASN A 93 -6.316 -15.835 5.974 1.00 0.00 C ATOM 1266 CG ASN A 93 -6.378 -15.391 7.440 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -5.586 -14.600 7.946 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -7.465 -15.747 8.072 1.00 0.00 N ATOM 0 H ASN A 93 -5.022 -13.731 6.262 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.300 -15.069 3.955 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.140 -16.520 5.777 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.393 -16.391 5.812 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -7.665 -15.367 8.997 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.114 -16.405 7.640 1.00 0.00 H new ATOM 1275 N GLY A 94 -7.791 -12.970 4.015 1.00 0.00 N ATOM 1276 CA GLY A 94 -8.893 -11.984 3.909 1.00 0.00 C ATOM 1277 C GLY A 94 -9.013 -11.181 5.217 1.00 0.00 C ATOM 1278 O GLY A 94 -10.095 -10.775 5.621 1.00 0.00 O ATOM 0 H GLY A 94 -7.067 -12.842 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.707 -11.308 3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.832 -12.497 3.701 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.843 -10.866 5.788 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.730 -10.298 7.140 1.00 0.00 C ATOM 1284 C GLU A 95 -6.551 -9.340 7.179 1.00 0.00 C ATOM 1285 O GLU A 95 -5.502 -9.685 6.641 1.00 0.00 O ATOM 1286 CB GLU A 95 -7.425 -11.433 8.111 1.00 0.00 C ATOM 1287 CG GLU A 95 -8.582 -11.662 9.077 1.00 0.00 C ATOM 1288 CD GLU A 95 -8.326 -12.901 9.924 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -8.937 -13.943 9.583 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -7.570 -12.797 10.908 1.00 0.00 O ATOM 0 H GLU A 95 -6.944 -10.998 5.324 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.654 -9.784 7.404 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.228 -12.348 7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.520 -11.201 8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.704 -10.792 9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.512 -11.779 8.520 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.634 -8.412 8.107 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.621 -7.369 8.278 1.00 0.00 C ATOM 1300 C ARG A 96 -4.894 -7.640 9.594 1.00 0.00 C ATOM 1301 O ARG A 96 -5.514 -7.815 10.652 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.299 -5.995 8.306 1.00 0.00 C ATOM 1303 CG ARG A 96 -5.260 -4.881 8.210 1.00 0.00 C ATOM 1304 CD ARG A 96 -5.927 -3.505 8.291 1.00 0.00 C ATOM 1305 NE ARG A 96 -6.411 -3.238 9.660 1.00 0.00 N ATOM 1306 CZ ARG A 96 -6.673 -2.029 10.176 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -6.322 -0.907 9.563 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -7.120 -1.904 11.413 1.00 0.00 N ATOM 0 H ARG A 96 -7.405 -8.351 8.772 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.909 -7.376 7.453 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.004 -5.914 7.479 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.873 -5.886 9.226 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.533 -4.985 9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.711 -4.969 7.272 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.217 -2.733 7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.760 -3.458 7.590 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.559 -4.045 10.267 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.835 -0.946 8.667 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.539 -0.005 9.987 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.270 -2.733 11.987 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.315 -0.978 11.794 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.596 -7.753 9.445 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.678 -8.201 10.511 1.00 0.00 C ATOM 1324 C LYS A 97 -1.934 -7.013 11.152 1.00 0.00 C ATOM 1325 O LYS A 97 -1.710 -6.976 12.358 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.613 -9.147 9.921 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.099 -10.019 8.752 1.00 0.00 C ATOM 1328 CD LYS A 97 -3.188 -11.027 9.101 1.00 0.00 C ATOM 1329 CE LYS A 97 -2.648 -12.156 9.988 1.00 0.00 C ATOM 1330 NZ LYS A 97 -3.723 -13.127 10.241 1.00 0.00 N ATOM 0 H LYS A 97 -3.121 -7.536 8.569 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.282 -8.705 11.265 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.766 -8.551 9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.248 -9.799 10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.471 -9.366 7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.245 -10.559 8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.004 -10.519 9.614 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.601 -11.449 8.185 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.806 -12.647 9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.279 -11.750 10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.335 -13.952 10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.461 -12.684 10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.135 -13.432 9.336 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.543 -6.081 10.283 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.725 -4.913 10.644 1.00 0.00 C ATOM 1346 C GLU A 98 -1.137 -3.688 9.822 1.00 0.00 C ATOM 1347 O GLU A 98 -1.552 -3.826 8.672 1.00 0.00 O ATOM 1348 CB GLU A 98 0.733 -5.322 10.384 1.00 0.00 C ATOM 1349 CG GLU A 98 1.802 -4.369 10.935 1.00 0.00 C ATOM 1350 CD GLU A 98 1.747 -4.191 12.452 1.00 0.00 C ATOM 1351 OE1 GLU A 98 2.092 -5.147 13.183 1.00 0.00 O ATOM 1352 OE2 GLU A 98 1.332 -3.081 12.856 1.00 0.00 O ATOM 0 H GLU A 98 -1.787 -6.113 9.293 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.861 -4.627 11.687 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.896 -6.309 10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.878 -5.417 9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.787 -4.744 10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.687 -3.395 10.460 1.00 0.00 H new ATOM 1360 N SER A 99 -0.977 -2.536 10.461 1.00 0.00 N ATOM 1361 CA SER A 99 -1.326 -1.218 9.906 1.00 0.00 C ATOM 1362 C SER A 99 -0.309 -0.173 10.350 1.00 0.00 C ATOM 1363 O SER A 99 -0.168 0.139 11.531 1.00 0.00 O ATOM 1364 CB SER A 99 -2.710 -0.812 10.401 1.00 0.00 C ATOM 1365 OG SER A 99 -3.610 -1.847 9.993 1.00 0.00 O ATOM 0 H SER A 99 -0.592 -2.482 11.404 1.00 0.00 H new ATOM 0 HA SER A 99 -1.322 -1.280 8.818 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.716 -0.699 11.485 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.006 0.148 9.978 1.00 0.00 H new ATOM 0 HG SER A 99 -4.033 -2.243 10.783 1.00 0.00 H new ATOM 1371 N ILE A 100 0.501 0.249 9.387 1.00 0.00 N ATOM 1372 CA ILE A 100 1.591 1.219 9.613 1.00 0.00 C ATOM 1373 C ILE A 100 1.145 2.625 9.211 1.00 0.00 C ATOM 1374 O ILE A 100 1.185 3.010 8.039 1.00 0.00 O ATOM 1375 CB ILE A 100 2.862 0.753 8.875 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.300 -0.669 9.290 1.00 0.00 C ATOM 1377 CG2 ILE A 100 4.023 1.744 8.967 1.00 0.00 C ATOM 1378 CD1 ILE A 100 3.458 -0.908 10.792 1.00 0.00 C ATOM 0 H ILE A 100 0.429 -0.067 8.420 1.00 0.00 H new ATOM 0 HA ILE A 100 1.835 1.266 10.674 1.00 0.00 H new ATOM 0 HB ILE A 100 2.578 0.714 7.823 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.570 -1.380 8.903 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.250 -0.892 8.804 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.882 1.349 8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.724 2.696 8.529 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.291 1.894 10.013 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.768 -1.938 10.966 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.212 -0.230 11.191 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.506 -0.726 11.291 1.00 0.00 H new ATOM 1390 N ILE A 101 0.737 3.354 10.245 1.00 0.00 N ATOM 1391 CA ILE A 101 0.364 4.778 10.192 1.00 0.00 C ATOM 1392 C ILE A 101 1.659 5.598 10.069 1.00 0.00 C ATOM 1393 O ILE A 101 2.468 5.653 10.988 1.00 0.00 O ATOM 1394 CB ILE A 101 -0.470 5.100 11.450 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -1.871 4.463 11.394 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -0.616 6.594 11.734 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -1.929 3.083 12.058 1.00 0.00 C ATOM 0 H ILE A 101 0.651 2.961 11.182 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.256 5.029 9.331 1.00 0.00 H new ATOM 0 HB ILE A 101 0.102 4.663 12.269 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.585 5.126 11.883 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.181 4.372 10.353 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.215 6.737 12.633 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.370 7.034 11.881 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.108 7.078 10.890 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.942 2.687 11.986 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.238 2.407 11.554 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.648 3.172 13.107 1.00 0.00 H new ATOM 1409 N GLY A 102 1.867 6.094 8.845 1.00 0.00 N ATOM 1410 CA GLY A 102 3.048 6.881 8.465 1.00 0.00 C ATOM 1411 C GLY A 102 4.104 5.999 7.789 1.00 0.00 C ATOM 1412 O GLY A 102 5.214 5.825 8.291 1.00 0.00 O ATOM 0 H GLY A 102 1.210 5.959 8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.752 7.683 7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.475 7.352 9.350 1.00 0.00 H new ATOM 1416 N ALA A 103 3.742 5.520 6.611 1.00 0.00 N ATOM 1417 CA ALA A 103 4.584 4.624 5.791 1.00 0.00 C ATOM 1418 C ALA A 103 5.720 5.379 5.070 1.00 0.00 C ATOM 1419 O ALA A 103 5.625 5.760 3.902 1.00 0.00 O ATOM 1420 CB ALA A 103 3.687 3.866 4.799 1.00 0.00 C ATOM 0 H ALA A 103 2.844 5.738 6.179 1.00 0.00 H new ATOM 0 HA ALA A 103 5.077 3.911 6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.299 3.202 4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.952 3.279 5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.173 4.579 4.155 1.00 0.00 H new ATOM 1426 N VAL A 104 6.739 5.701 5.866 1.00 0.00 N ATOM 1427 CA VAL A 104 7.946 6.413 5.374 1.00 0.00 C ATOM 1428 C VAL A 104 9.243 5.570 5.455 1.00 0.00 C ATOM 1429 O VAL A 104 9.892 5.441 4.409 1.00 0.00 O ATOM 1430 CB VAL A 104 8.041 7.837 5.971 1.00 0.00 C ATOM 1431 CG1 VAL A 104 9.321 8.579 5.574 1.00 0.00 C ATOM 1432 CG2 VAL A 104 6.832 8.691 5.560 1.00 0.00 C ATOM 0 H VAL A 104 6.764 5.484 6.862 1.00 0.00 H new ATOM 0 HA VAL A 104 7.826 6.557 4.300 1.00 0.00 H new ATOM 0 HB VAL A 104 8.056 7.695 7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.322 9.570 6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 104 10.189 8.020 5.923 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.364 8.676 4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.925 9.687 5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.795 8.771 4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.916 8.223 5.921 1.00 0.00 H new ATOM 1442 N PRO A 105 9.684 5.014 6.602 1.00 0.00 N ATOM 1443 CA PRO A 105 10.911 4.212 6.654 1.00 0.00 C ATOM 1444 C PRO A 105 10.611 2.815 6.086 1.00 0.00 C ATOM 1445 O PRO A 105 9.894 2.020 6.687 1.00 0.00 O ATOM 1446 CB PRO A 105 11.331 4.120 8.128 1.00 0.00 C ATOM 1447 CG PRO A 105 10.199 4.767 8.933 1.00 0.00 C ATOM 1448 CD PRO A 105 9.073 5.082 7.949 1.00 0.00 C ATOM 0 HA PRO A 105 11.713 4.658 6.066 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.478 3.082 8.427 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.275 4.638 8.297 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.850 4.094 9.716 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.546 5.676 9.425 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.258 4.365 8.045 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.653 6.070 8.139 1.00 0.00 H new ATOM 1456 N LYS A 106 11.105 2.619 4.868 1.00 0.00 N ATOM 1457 CA LYS A 106 10.994 1.374 4.086 1.00 0.00 C ATOM 1458 C LYS A 106 11.154 0.097 4.943 1.00 0.00 C ATOM 1459 O LYS A 106 10.349 -0.825 4.862 1.00 0.00 O ATOM 1460 CB LYS A 106 12.020 1.414 2.959 1.00 0.00 C ATOM 1461 CG LYS A 106 11.750 0.286 1.970 1.00 0.00 C ATOM 1462 CD LYS A 106 12.605 0.493 0.732 1.00 0.00 C ATOM 1463 CE LYS A 106 12.381 -0.660 -0.244 1.00 0.00 C ATOM 1464 NZ LYS A 106 13.303 -0.494 -1.372 1.00 0.00 N ATOM 0 H LYS A 106 11.616 3.348 4.370 1.00 0.00 H new ATOM 0 HA LYS A 106 9.985 1.321 3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 106 11.974 2.376 2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.026 1.318 3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.978 -0.677 2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 106 10.694 0.269 1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.351 1.440 0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 106 13.658 0.548 1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.555 -1.616 0.251 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.349 -0.666 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.770 -0.201 -2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 14.009 0.233 -1.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 13.785 -1.396 -1.562 1.00 0.00 H new ATOM 1478 N SER A 107 12.106 0.155 5.862 1.00 0.00 N ATOM 1479 CA SER A 107 12.423 -0.932 6.822 1.00 0.00 C ATOM 1480 C SER A 107 11.257 -1.359 7.717 1.00 0.00 C ATOM 1481 O SER A 107 11.012 -2.553 7.881 1.00 0.00 O ATOM 1482 CB SER A 107 13.615 -0.503 7.684 1.00 0.00 C ATOM 1483 OG SER A 107 13.386 0.830 8.160 1.00 0.00 O ATOM 0 H SER A 107 12.704 0.973 5.977 1.00 0.00 H new ATOM 0 HA SER A 107 12.660 -1.811 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.739 -1.187 8.523 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.535 -0.543 7.102 1.00 0.00 H new ATOM 0 HG SER A 107 14.143 1.114 8.714 1.00 0.00 H new ATOM 1489 N THR A 108 10.494 -0.403 8.246 1.00 0.00 N ATOM 1490 CA THR A 108 9.279 -0.678 9.048 1.00 0.00 C ATOM 1491 C THR A 108 8.216 -1.462 8.283 1.00 0.00 C ATOM 1492 O THR A 108 7.585 -2.391 8.791 1.00 0.00 O ATOM 1493 CB THR A 108 8.702 0.669 9.549 1.00 0.00 C ATOM 1494 OG1 THR A 108 9.735 1.376 10.233 1.00 0.00 O ATOM 1495 CG2 THR A 108 7.462 0.525 10.427 1.00 0.00 C ATOM 0 H THR A 108 10.693 0.591 8.136 1.00 0.00 H new ATOM 0 HA THR A 108 9.569 -1.310 9.887 1.00 0.00 H new ATOM 0 HB THR A 108 8.363 1.228 8.677 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.352 2.153 10.691 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.119 1.512 10.737 1.00 0.00 H new ATOM 0 HG22 THR A 108 6.673 0.027 9.863 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.707 -0.067 11.309 1.00 0.00 H new ATOM 1503 N LEU A 109 8.073 -1.061 7.030 1.00 0.00 N ATOM 1504 CA LEU A 109 7.226 -1.718 6.031 1.00 0.00 C ATOM 1505 C LEU A 109 7.631 -3.196 5.890 1.00 0.00 C ATOM 1506 O LEU A 109 6.876 -4.048 6.356 1.00 0.00 O ATOM 1507 CB LEU A 109 7.310 -0.997 4.683 1.00 0.00 C ATOM 1508 CG LEU A 109 6.492 0.282 4.700 1.00 0.00 C ATOM 1509 CD1 LEU A 109 7.135 1.477 5.400 1.00 0.00 C ATOM 1510 CD2 LEU A 109 6.190 0.698 3.258 1.00 0.00 C ATOM 0 H LEU A 109 8.557 -0.242 6.662 1.00 0.00 H new ATOM 0 HA LEU A 109 6.190 -1.671 6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.350 -0.765 4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.949 -1.654 3.892 1.00 0.00 H new ATOM 0 HG LEU A 109 5.601 0.034 5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.462 2.333 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.328 1.227 6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.075 1.725 4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.603 1.616 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.125 0.867 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.627 -0.092 2.762 1.00 0.00 H new ATOM 1522 N THR A 110 8.935 -3.409 5.668 1.00 0.00 N ATOM 1523 CA THR A 110 9.572 -4.738 5.545 1.00 0.00 C ATOM 1524 C THR A 110 9.312 -5.638 6.761 1.00 0.00 C ATOM 1525 O THR A 110 8.828 -6.768 6.658 1.00 0.00 O ATOM 1526 CB THR A 110 11.086 -4.596 5.306 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.285 -3.768 4.162 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.745 -5.956 5.098 1.00 0.00 C ATOM 0 H THR A 110 9.600 -2.642 5.565 1.00 0.00 H new ATOM 0 HA THR A 110 9.113 -5.222 4.683 1.00 0.00 H new ATOM 0 HB THR A 110 11.548 -4.144 6.184 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.950 -4.227 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.814 -5.821 4.932 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.591 -6.574 5.982 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.302 -6.446 4.231 1.00 0.00 H new ATOM 1536 N ASP A 111 9.655 -5.036 7.895 1.00 0.00 N ATOM 1537 CA ASP A 111 9.470 -5.563 9.259 1.00 0.00 C ATOM 1538 C ASP A 111 8.060 -6.162 9.415 1.00 0.00 C ATOM 1539 O ASP A 111 7.919 -7.366 9.613 1.00 0.00 O ATOM 1540 CB ASP A 111 9.668 -4.358 10.184 1.00 0.00 C ATOM 1541 CG ASP A 111 9.825 -4.720 11.673 1.00 0.00 C ATOM 1542 OD1 ASP A 111 9.517 -5.878 12.045 1.00 0.00 O ATOM 1543 OD2 ASP A 111 10.225 -3.806 12.416 1.00 0.00 O ATOM 0 H ASP A 111 10.095 -4.116 7.896 1.00 0.00 H new ATOM 0 HA ASP A 111 10.171 -6.364 9.493 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.552 -3.808 9.861 1.00 0.00 H new ATOM 0 HB3 ASP A 111 8.817 -3.686 10.073 1.00 0.00 H new ATOM 1549 N SER A 112 7.082 -5.359 9.013 1.00 0.00 N ATOM 1550 CA SER A 112 5.641 -5.706 9.065 1.00 0.00 C ATOM 1551 C SER A 112 5.170 -6.858 8.181 1.00 0.00 C ATOM 1552 O SER A 112 4.036 -7.299 8.332 1.00 0.00 O ATOM 1553 CB SER A 112 4.784 -4.491 8.743 1.00 0.00 C ATOM 1554 OG SER A 112 5.097 -3.404 9.618 1.00 0.00 O ATOM 0 H SER A 112 7.257 -4.429 8.633 1.00 0.00 H new ATOM 0 HA SER A 112 5.517 -6.051 10.091 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.946 -4.189 7.708 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.729 -4.749 8.838 1.00 0.00 H new ATOM 0 HG SER A 112 5.963 -3.020 9.366 1.00 0.00 H new ATOM 1560 N ILE A 113 5.989 -7.269 7.212 1.00 0.00 N ATOM 1561 CA ILE A 113 5.715 -8.434 6.348 1.00 0.00 C ATOM 1562 C ILE A 113 6.325 -9.668 7.038 1.00 0.00 C ATOM 1563 O ILE A 113 5.619 -10.601 7.413 1.00 0.00 O ATOM 1564 CB ILE A 113 6.350 -8.332 4.950 1.00 0.00 C ATOM 1565 CG1 ILE A 113 5.693 -7.189 4.213 1.00 0.00 C ATOM 1566 CG2 ILE A 113 6.277 -9.594 4.098 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.693 -6.070 4.184 1.00 0.00 C ATOM 0 H ILE A 113 6.871 -6.803 6.997 1.00 0.00 H new ATOM 0 HA ILE A 113 4.635 -8.493 6.212 1.00 0.00 H new ATOM 0 HB ILE A 113 7.415 -8.169 5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.416 -7.488 3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.777 -6.878 4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.754 -9.411 3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.792 -10.408 4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.234 -9.867 3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.267 -5.215 3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.946 -5.781 5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.594 -6.400 3.667 1.00 0.00 H new ATOM 1579 N GLU A 114 7.629 -9.557 7.228 1.00 0.00 N ATOM 1580 CA GLU A 114 8.484 -10.604 7.840 1.00 0.00 C ATOM 1581 C GLU A 114 8.060 -11.048 9.251 1.00 0.00 C ATOM 1582 O GLU A 114 8.632 -11.949 9.854 1.00 0.00 O ATOM 1583 CB GLU A 114 9.946 -10.151 7.875 1.00 0.00 C ATOM 1584 CG GLU A 114 10.560 -10.123 6.474 1.00 0.00 C ATOM 1585 CD GLU A 114 11.942 -9.467 6.504 1.00 0.00 C ATOM 1586 OE1 GLU A 114 12.882 -10.105 5.998 1.00 0.00 O ATOM 1587 OE2 GLU A 114 12.014 -8.339 7.032 1.00 0.00 O ATOM 0 H GLU A 114 8.151 -8.723 6.960 1.00 0.00 H new ATOM 0 HA GLU A 114 8.358 -11.474 7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.009 -9.158 8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.521 -10.824 8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.642 -11.139 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.906 -9.575 5.796 1.00 0.00 H new ATOM 1595 N LYS A 115 7.240 -10.188 9.831 1.00 0.00 N ATOM 1596 CA LYS A 115 6.528 -10.362 11.105 1.00 0.00 C ATOM 1597 C LYS A 115 5.627 -11.621 11.115 1.00 0.00 C ATOM 1598 O LYS A 115 5.640 -12.401 12.062 1.00 0.00 O ATOM 1599 CB LYS A 115 5.724 -9.070 11.145 1.00 0.00 C ATOM 1600 CG LYS A 115 4.974 -8.890 12.469 1.00 0.00 C ATOM 1601 CD LYS A 115 3.991 -7.743 12.343 1.00 0.00 C ATOM 1602 CE LYS A 115 2.798 -8.145 11.466 1.00 0.00 C ATOM 1603 NZ LYS A 115 1.919 -9.040 12.233 1.00 0.00 N ATOM 0 H LYS A 115 7.034 -9.286 9.403 1.00 0.00 H new ATOM 0 HA LYS A 115 7.175 -10.521 11.968 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.394 -8.224 10.992 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.009 -9.064 10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.446 -9.808 12.728 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.680 -8.690 13.275 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.639 -7.449 13.332 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.490 -6.876 11.911 1.00 0.00 H new ATOM 0 HE2 LYS A 115 2.248 -7.259 11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 115 3.147 -8.644 10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 0.987 -9.088 11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 2.337 -9.992 12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 1.811 -8.675 13.201 1.00 0.00 H new ATOM 1617 N TYR A 116 4.838 -11.748 10.048 1.00 0.00 N ATOM 1618 CA TYR A 116 3.853 -12.822 9.878 1.00 0.00 C ATOM 1619 C TYR A 116 4.138 -13.759 8.679 1.00 0.00 C ATOM 1620 O TYR A 116 4.048 -14.978 8.779 1.00 0.00 O ATOM 1621 CB TYR A 116 2.468 -12.172 9.762 1.00 0.00 C ATOM 1622 CG TYR A 116 2.242 -11.382 8.469 1.00 0.00 C ATOM 1623 CD1 TYR A 116 2.591 -10.010 8.378 1.00 0.00 C ATOM 1624 CD2 TYR A 116 1.470 -12.020 7.479 1.00 0.00 C ATOM 1625 CE1 TYR A 116 2.148 -9.275 7.265 1.00 0.00 C ATOM 1626 CE2 TYR A 116 1.032 -11.281 6.358 1.00 0.00 C ATOM 1627 CZ TYR A 116 1.377 -9.912 6.276 1.00 0.00 C ATOM 1628 OH TYR A 116 0.893 -9.211 5.223 1.00 0.00 O ATOM 0 H TYR A 116 4.864 -11.097 9.263 1.00 0.00 H new ATOM 0 HA TYR A 116 3.909 -13.475 10.749 1.00 0.00 H new ATOM 0 HB2 TYR A 116 1.708 -12.950 9.835 1.00 0.00 H new ATOM 0 HB3 TYR A 116 2.322 -11.504 10.611 1.00 0.00 H new ATOM 0 HD1 TYR A 116 3.185 -9.540 9.148 1.00 0.00 H new ATOM 0 HD2 TYR A 116 1.215 -13.065 7.576 1.00 0.00 H new ATOM 0 HE1 TYR A 116 2.398 -8.229 7.170 1.00 0.00 H new ATOM 0 HE2 TYR A 116 0.447 -11.751 5.581 1.00 0.00 H new ATOM 0 HH TYR A 116 0.049 -9.610 4.924 1.00 0.00 H new ATOM 1638 N LEU A 117 4.542 -13.134 7.578 1.00 0.00 N ATOM 1639 CA LEU A 117 4.903 -13.761 6.302 1.00 0.00 C ATOM 1640 C LEU A 117 6.435 -13.786 6.276 1.00 0.00 C ATOM 1641 O LEU A 117 7.153 -12.911 5.802 1.00 0.00 O ATOM 1642 CB LEU A 117 4.300 -12.874 5.230 1.00 0.00 C ATOM 1643 CG LEU A 117 4.578 -13.333 3.792 1.00 0.00 C ATOM 1644 CD1 LEU A 117 3.966 -14.705 3.473 1.00 0.00 C ATOM 1645 CD2 LEU A 117 4.034 -12.267 2.843 1.00 0.00 C ATOM 0 H LEU A 117 4.633 -12.119 7.546 1.00 0.00 H new ATOM 0 HA LEU A 117 4.540 -14.778 6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.221 -12.826 5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.684 -11.862 5.355 1.00 0.00 H new ATOM 0 HG LEU A 117 5.654 -13.452 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.196 -14.975 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 117 4.382 -15.454 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.885 -14.660 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 117 4.219 -12.569 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.962 -12.153 3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.533 -11.318 3.038 1.00 0.00 H new TER 1657 LEU A 117