USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1067 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 85 LYS NZ :NH3+ -105:sc= 0.874 (180deg=0.937) USER MOD Set 1.2: A 99 ASN : amide:sc= 0.558 K(o=1.4,f=0.65) USER MOD Set 2.1: A 96 TYR OH : rot 30:sc= 1.08 USER MOD Set 2.2: A 119 TYR OH : rot -93:sc= 0.346 USER MOD Set 3.1: A 43 TYR OH : rot 168:sc= 1.33 USER MOD Set 3.2: A 50 HIS : no HD1:sc= 0.493 K(o=1.8,f=-5.3!) USER MOD Set 4.1: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 110 THR OG1 : rot 58:sc= -0.474 USER MOD Set 5.1: A 38 SER OG : rot -116:sc= 1.29 USER MOD Set 5.2: A 39 HIS : no HD1:sc= 0.747 K(o=2,f=-7.7!) USER MOD Set 6.1: A 33 LYS NZ :NH3+ -106:sc= 0.865 (180deg=-0.00257) USER MOD Set 6.2: A 115 GLN : amide:sc= 0.641 K(o=1.5,f=-9!) USER MOD Set 7.1: A 8 GLN : amide:sc= -2.36 X(o=-2.2,f=-1.7) USER MOD Set 7.2: A 57 ASN : amide:sc= 0.16 X(o=-2.2,f=-2.6!) USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= -0.0301 (180deg=-0.224) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= -0.0247 (180deg=-0.223) USER MOD Single : A 21 ASN : amide:sc= -0.104 K(o=-0.1,f=-1) USER MOD Single : A 24 ASN : amide:sc= -0.309 K(o=-0.31,f=-6.4!) USER MOD Single : A 25 TYR OH : rot -30:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.58! C(o=-1.6!,f=-4.9!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 5:sc= -0.121 USER MOD Single : A 35 HIS : no HD1:sc= 0.00255 X(o=0.0026,f=-0.2) USER MOD Single : A 36 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.8!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0.923 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= 1.21 (180deg=0.999) USER MOD Single : A 55 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -91:sc= 0.0344 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0305) USER MOD Single : A 77 HIS : no HE2:sc= 0.824 K(o=0.82,f=-2.5!) USER MOD Single : A 81 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 82 THR OG1 : rot 79:sc= 1.1 USER MOD Single : A 83 SER OG : rot -173:sc= 0.865 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 87 LYS NZ :NH3+ 172:sc= -0.0114 (180deg=-0.118) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 94 GLN : amide:sc= -0.829 K(o=-0.83,f=-3.1!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= 0.259 K(o=0.26,f=-2.5) USER MOD Single : A 113 HIS :FLIP no HE2:sc= 0.258 F(o=-0.91,f=0.26) USER MOD Single : A 116 LYS NZ :NH3+ 167:sc= -0.0119 (180deg=-0.221) USER MOD Single : A 118 TYR OH : rot 15:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 52:sc= 0.533 USER MOD Single : A 124 ASN : amide:sc= 0.513 K(o=0.51,f=-3.6!) USER MOD Single : A 125 SER OG : rot 94:sc= 1.05 USER MOD Single : A 129 THR OG1 : rot 31:sc= 0.403 USER MOD Single : A 131 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 133 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -6.243 14.979 -14.628 1.00 0.00 N ATOM 2 CA ASP A 7 -6.925 13.897 -13.936 1.00 0.00 C ATOM 3 C ASP A 7 -6.326 13.709 -12.548 1.00 0.00 C ATOM 4 O ASP A 7 -5.158 14.026 -12.314 1.00 0.00 O ATOM 5 CB ASP A 7 -6.817 12.592 -14.737 1.00 0.00 C ATOM 6 CG ASP A 7 -7.779 11.517 -14.255 1.00 0.00 C ATOM 7 OD1 ASP A 7 -7.598 10.999 -13.136 1.00 0.00 O ATOM 8 OD2 ASP A 7 -8.722 11.180 -14.999 1.00 0.00 O ATOM 0 HA ASP A 7 -7.979 14.156 -13.838 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.012 12.801 -15.789 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.797 12.215 -14.670 1.00 0.00 H new ATOM 13 N GLN A 8 -7.128 13.177 -11.644 1.00 0.00 N ATOM 14 CA GLN A 8 -6.722 12.968 -10.264 1.00 0.00 C ATOM 15 C GLN A 8 -5.659 11.871 -10.172 1.00 0.00 C ATOM 16 O GLN A 8 -4.923 11.786 -9.185 1.00 0.00 O ATOM 17 CB GLN A 8 -7.953 12.606 -9.440 1.00 0.00 C ATOM 18 CG GLN A 8 -7.731 12.606 -7.941 1.00 0.00 C ATOM 19 CD GLN A 8 -9.005 12.295 -7.180 1.00 0.00 C ATOM 20 OE1 GLN A 8 -9.201 12.757 -6.059 1.00 0.00 O ATOM 21 NE2 GLN A 8 -9.880 11.512 -7.790 1.00 0.00 N ATOM 0 H GLN A 8 -8.082 12.877 -11.845 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.280 13.883 -9.870 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.752 13.309 -9.676 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.299 11.618 -9.743 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.968 11.870 -7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.351 13.579 -7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.677 11.150 -8.722 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.757 11.271 -7.329 1.00 0.00 H new ATOM 30 N VAL A 9 -5.581 11.042 -11.213 1.00 0.00 N ATOM 31 CA VAL A 9 -4.545 10.016 -11.319 1.00 0.00 C ATOM 32 C VAL A 9 -3.154 10.636 -11.185 1.00 0.00 C ATOM 33 O VAL A 9 -2.275 10.076 -10.527 1.00 0.00 O ATOM 34 CB VAL A 9 -4.641 9.246 -12.659 1.00 0.00 C ATOM 35 CG1 VAL A 9 -3.446 8.324 -12.854 1.00 0.00 C ATOM 36 CG2 VAL A 9 -5.931 8.445 -12.722 1.00 0.00 C ATOM 0 H VAL A 9 -6.229 11.062 -12.001 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.706 9.311 -10.504 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.639 9.981 -13.464 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.543 7.798 -13.804 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.529 8.913 -12.858 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.409 7.600 -12.040 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.981 7.910 -13.671 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.955 7.729 -11.900 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.783 9.120 -12.640 1.00 0.00 H new ATOM 46 N VAL A 10 -2.978 11.808 -11.789 1.00 0.00 N ATOM 47 CA VAL A 10 -1.705 12.518 -11.738 1.00 0.00 C ATOM 48 C VAL A 10 -1.329 12.830 -10.297 1.00 0.00 C ATOM 49 O VAL A 10 -0.196 12.600 -9.878 1.00 0.00 O ATOM 50 CB VAL A 10 -1.760 13.836 -12.542 1.00 0.00 C ATOM 51 CG1 VAL A 10 -0.438 14.586 -12.451 1.00 0.00 C ATOM 52 CG2 VAL A 10 -2.115 13.564 -13.994 1.00 0.00 C ATOM 0 H VAL A 10 -3.704 12.287 -12.321 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.952 11.868 -12.184 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.538 14.463 -12.106 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.504 15.510 -13.026 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.224 14.821 -11.408 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.362 13.964 -12.854 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.149 14.505 -14.543 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.362 12.912 -14.437 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.090 13.079 -14.046 1.00 0.00 H new ATOM 62 N ILE A 11 -2.302 13.326 -9.541 1.00 0.00 N ATOM 63 CA ILE A 11 -2.080 13.720 -8.159 1.00 0.00 C ATOM 64 C ILE A 11 -1.673 12.517 -7.313 1.00 0.00 C ATOM 65 O ILE A 11 -0.634 12.538 -6.655 1.00 0.00 O ATOM 66 CB ILE A 11 -3.335 14.397 -7.538 1.00 0.00 C ATOM 67 CG1 ILE A 11 -3.597 15.776 -8.167 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.185 14.537 -6.029 1.00 0.00 C ATOM 69 CD1 ILE A 11 -4.152 15.727 -9.575 1.00 0.00 C ATOM 0 H ILE A 11 -3.258 13.465 -9.867 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.270 14.449 -8.163 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.189 13.754 -7.750 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.295 16.324 -7.534 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.665 16.340 -8.177 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.075 15.013 -5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.062 13.550 -5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.310 15.148 -5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.307 16.742 -9.941 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.447 15.210 -10.226 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.102 15.193 -9.573 1.00 0.00 H new ATOM 81 N PHE A 12 -2.478 11.459 -7.360 1.00 0.00 N ATOM 82 CA PHE A 12 -2.229 10.278 -6.539 1.00 0.00 C ATOM 83 C PHE A 12 -0.901 9.609 -6.878 1.00 0.00 C ATOM 84 O PHE A 12 -0.110 9.307 -5.981 1.00 0.00 O ATOM 85 CB PHE A 12 -3.370 9.271 -6.673 1.00 0.00 C ATOM 86 CG PHE A 12 -4.525 9.543 -5.754 1.00 0.00 C ATOM 87 CD1 PHE A 12 -4.439 9.228 -4.409 1.00 0.00 C ATOM 88 CD2 PHE A 12 -5.694 10.110 -6.231 1.00 0.00 C ATOM 89 CE1 PHE A 12 -5.498 9.470 -3.556 1.00 0.00 C ATOM 90 CE2 PHE A 12 -6.758 10.353 -5.383 1.00 0.00 C ATOM 91 CZ PHE A 12 -6.659 10.035 -4.044 1.00 0.00 C ATOM 0 H PHE A 12 -3.304 11.395 -7.955 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.174 10.620 -5.506 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.728 9.275 -7.703 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.986 8.271 -6.473 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.532 8.787 -4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.776 10.365 -7.277 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.418 9.218 -2.509 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.667 10.792 -5.768 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.488 10.228 -3.379 1.00 0.00 H new ATOM 101 N LYS A 13 -0.645 9.378 -8.162 1.00 0.00 N ATOM 102 CA LYS A 13 0.593 8.721 -8.565 1.00 0.00 C ATOM 103 C LYS A 13 1.795 9.574 -8.181 1.00 0.00 C ATOM 104 O LYS A 13 2.854 9.051 -7.852 1.00 0.00 O ATOM 105 CB LYS A 13 0.613 8.433 -10.071 1.00 0.00 C ATOM 106 CG LYS A 13 1.864 7.684 -10.520 1.00 0.00 C ATOM 107 CD LYS A 13 1.969 7.601 -12.035 1.00 0.00 C ATOM 108 CE LYS A 13 2.367 8.938 -12.646 1.00 0.00 C ATOM 109 NZ LYS A 13 3.754 9.343 -12.270 1.00 0.00 N ATOM 0 H LYS A 13 -1.267 9.631 -8.930 1.00 0.00 H new ATOM 0 HA LYS A 13 0.647 7.768 -8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.268 7.848 -10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.545 9.375 -10.616 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.747 8.184 -10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.853 6.677 -10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.703 6.843 -12.308 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.013 7.282 -12.449 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.291 8.876 -13.732 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.666 9.707 -12.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.086 10.087 -12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.758 9.705 -11.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.386 8.520 -12.336 1.00 0.00 H new ATOM 123 N GLN A 14 1.617 10.888 -8.210 1.00 0.00 N ATOM 124 CA GLN A 14 2.683 11.816 -7.863 1.00 0.00 C ATOM 125 C GLN A 14 2.989 11.747 -6.366 1.00 0.00 C ATOM 126 O GLN A 14 4.138 11.906 -5.950 1.00 0.00 O ATOM 127 CB GLN A 14 2.285 13.231 -8.284 1.00 0.00 C ATOM 128 CG GLN A 14 3.371 14.276 -8.102 1.00 0.00 C ATOM 129 CD GLN A 14 3.048 15.566 -8.836 1.00 0.00 C ATOM 130 OE1 GLN A 14 1.765 15.834 -9.040 1.00 0.00 O flip ATOM 131 NE2 GLN A 14 3.947 16.305 -9.239 1.00 0.00 N flip ATOM 0 H GLN A 14 0.739 11.336 -8.472 1.00 0.00 H new ATOM 0 HA GLN A 14 3.592 11.538 -8.396 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.989 13.214 -9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.409 13.533 -7.710 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.498 14.485 -7.040 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.320 13.880 -8.465 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.922 16.065 -9.062 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.716 17.157 -9.749 1.00 0.00 H new ATOM 140 N ILE A 15 1.956 11.498 -5.566 1.00 0.00 N ATOM 141 CA ILE A 15 2.125 11.312 -4.130 1.00 0.00 C ATOM 142 C ILE A 15 2.972 10.071 -3.855 1.00 0.00 C ATOM 143 O ILE A 15 3.995 10.141 -3.172 1.00 0.00 O ATOM 144 CB ILE A 15 0.766 11.170 -3.408 1.00 0.00 C ATOM 145 CG1 ILE A 15 -0.091 12.420 -3.629 1.00 0.00 C ATOM 146 CG2 ILE A 15 0.974 10.925 -1.917 1.00 0.00 C ATOM 147 CD1 ILE A 15 -1.496 12.301 -3.078 1.00 0.00 C ATOM 0 H ILE A 15 0.992 11.420 -5.890 1.00 0.00 H new ATOM 0 HA ILE A 15 2.628 12.199 -3.744 1.00 0.00 H new ATOM 0 HB ILE A 15 0.242 10.312 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.401 13.274 -3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.146 12.628 -4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.006 10.828 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.547 10.008 -1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.518 11.764 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.042 13.224 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.007 11.468 -3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.452 12.125 -2.003 1.00 0.00 H new ATOM 159 N PHE A 16 2.546 8.944 -4.418 1.00 0.00 N ATOM 160 CA PHE A 16 3.256 7.681 -4.244 1.00 0.00 C ATOM 161 C PHE A 16 4.648 7.739 -4.867 1.00 0.00 C ATOM 162 O PHE A 16 5.581 7.110 -4.373 1.00 0.00 O ATOM 163 CB PHE A 16 2.461 6.526 -4.858 1.00 0.00 C ATOM 164 CG PHE A 16 1.241 6.133 -4.069 1.00 0.00 C ATOM 165 CD1 PHE A 16 0.027 6.766 -4.278 1.00 0.00 C ATOM 166 CD2 PHE A 16 1.310 5.123 -3.124 1.00 0.00 C ATOM 167 CE1 PHE A 16 -1.095 6.400 -3.559 1.00 0.00 C ATOM 168 CE2 PHE A 16 0.192 4.753 -2.400 1.00 0.00 C ATOM 169 CZ PHE A 16 -1.013 5.393 -2.619 1.00 0.00 C ATOM 0 H PHE A 16 1.711 8.880 -5.000 1.00 0.00 H new ATOM 0 HA PHE A 16 3.364 7.509 -3.173 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.154 6.805 -5.866 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.115 5.659 -4.952 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.044 7.555 -5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.249 4.618 -2.951 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.035 6.902 -3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.260 3.965 -1.664 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.889 5.106 -2.056 1.00 0.00 H new ATOM 179 N ASP A 17 4.774 8.494 -5.952 1.00 0.00 N ATOM 180 CA ASP A 17 6.047 8.648 -6.653 1.00 0.00 C ATOM 181 C ASP A 17 7.092 9.261 -5.725 1.00 0.00 C ATOM 182 O ASP A 17 8.216 8.765 -5.618 1.00 0.00 O ATOM 183 CB ASP A 17 5.861 9.538 -7.886 1.00 0.00 C ATOM 184 CG ASP A 17 6.917 9.315 -8.948 1.00 0.00 C ATOM 185 OD1 ASP A 17 8.104 9.169 -8.603 1.00 0.00 O ATOM 186 OD2 ASP A 17 6.555 9.282 -10.143 1.00 0.00 O ATOM 0 H ASP A 17 4.003 9.015 -6.370 1.00 0.00 H new ATOM 0 HA ASP A 17 6.392 7.664 -6.970 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.877 9.351 -8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.880 10.583 -7.578 1.00 0.00 H new ATOM 191 N LYS A 18 6.702 10.329 -5.039 1.00 0.00 N ATOM 192 CA LYS A 18 7.599 11.033 -4.131 1.00 0.00 C ATOM 193 C LYS A 18 7.934 10.179 -2.911 1.00 0.00 C ATOM 194 O LYS A 18 9.108 9.950 -2.606 1.00 0.00 O ATOM 195 CB LYS A 18 6.976 12.358 -3.684 1.00 0.00 C ATOM 196 CG LYS A 18 7.860 13.160 -2.737 1.00 0.00 C ATOM 197 CD LYS A 18 9.153 13.601 -3.407 1.00 0.00 C ATOM 198 CE LYS A 18 8.903 14.663 -4.466 1.00 0.00 C ATOM 199 NZ LYS A 18 8.428 15.940 -3.872 1.00 0.00 N ATOM 0 H LYS A 18 5.765 10.728 -5.095 1.00 0.00 H new ATOM 0 HA LYS A 18 8.524 11.237 -4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.759 12.963 -4.564 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.024 12.155 -3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.315 14.037 -2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.093 12.557 -1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.838 13.991 -2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.639 12.739 -3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.822 14.842 -5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.164 14.297 -5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.496 16.699 -4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.438 15.835 -3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.017 16.181 -3.050 1.00 0.00 H new ATOM 213 N VAL A 19 6.901 9.687 -2.230 1.00 0.00 N ATOM 214 CA VAL A 19 7.087 8.933 -0.992 1.00 0.00 C ATOM 215 C VAL A 19 7.822 7.617 -1.255 1.00 0.00 C ATOM 216 O VAL A 19 8.395 7.019 -0.346 1.00 0.00 O ATOM 217 CB VAL A 19 5.737 8.654 -0.282 1.00 0.00 C ATOM 218 CG1 VAL A 19 4.897 7.653 -1.060 1.00 0.00 C ATOM 219 CG2 VAL A 19 5.964 8.171 1.145 1.00 0.00 C ATOM 0 H VAL A 19 5.928 9.797 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 19 7.696 9.550 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 19 5.185 9.593 -0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.958 7.480 -0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.689 8.048 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.441 6.713 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.003 7.982 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.548 7.251 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.504 8.934 1.706 1.00 0.00 H new ATOM 229 N ARG A 20 7.814 7.187 -2.510 1.00 0.00 N ATOM 230 CA ARG A 20 8.518 5.982 -2.924 1.00 0.00 C ATOM 231 C ARG A 20 9.996 6.047 -2.543 1.00 0.00 C ATOM 232 O ARG A 20 10.536 5.107 -1.956 1.00 0.00 O ATOM 233 CB ARG A 20 8.369 5.790 -4.434 1.00 0.00 C ATOM 234 CG ARG A 20 9.267 4.712 -5.017 1.00 0.00 C ATOM 235 CD ARG A 20 9.095 4.608 -6.525 1.00 0.00 C ATOM 236 NE ARG A 20 9.175 5.915 -7.177 1.00 0.00 N ATOM 237 CZ ARG A 20 10.146 6.277 -8.014 1.00 0.00 C ATOM 238 NH1 ARG A 20 11.180 5.477 -8.233 1.00 0.00 N ATOM 239 NH2 ARG A 20 10.098 7.457 -8.614 1.00 0.00 N ATOM 0 H ARG A 20 7.321 7.662 -3.266 1.00 0.00 H new ATOM 0 HA ARG A 20 8.076 5.131 -2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.331 5.542 -4.657 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.585 6.735 -4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.308 4.936 -4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.035 3.753 -4.555 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.864 3.952 -6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.132 4.149 -6.749 1.00 0.00 H new ATOM 0 HE ARG A 20 8.440 6.593 -6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.237 4.576 -7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.919 5.763 -8.876 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.317 8.089 -8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.842 7.734 -9.255 1.00 0.00 H new ATOM 253 N ASN A 21 10.638 7.162 -2.865 1.00 0.00 N ATOM 254 CA ASN A 21 12.069 7.312 -2.627 1.00 0.00 C ATOM 255 C ASN A 21 12.341 8.179 -1.404 1.00 0.00 C ATOM 256 O ASN A 21 13.267 7.910 -0.638 1.00 0.00 O ATOM 257 CB ASN A 21 12.764 7.931 -3.844 1.00 0.00 C ATOM 258 CG ASN A 21 12.666 7.077 -5.096 1.00 0.00 C ATOM 259 OD1 ASN A 21 12.595 5.847 -5.031 1.00 0.00 O ATOM 260 ND2 ASN A 21 12.674 7.727 -6.250 1.00 0.00 N ATOM 0 H ASN A 21 10.193 7.975 -3.291 1.00 0.00 H new ATOM 0 HA ASN A 21 12.469 6.314 -2.449 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.325 8.908 -4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.815 8.096 -3.607 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.620 7.209 -7.127 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.734 8.745 -6.261 1.00 0.00 H new ATOM 267 N ASP A 22 11.530 9.216 -1.224 1.00 0.00 N ATOM 268 CA ASP A 22 11.765 10.206 -0.173 1.00 0.00 C ATOM 269 C ASP A 22 11.294 9.688 1.185 1.00 0.00 C ATOM 270 O ASP A 22 11.850 10.046 2.224 1.00 0.00 O ATOM 271 CB ASP A 22 11.047 11.514 -0.521 1.00 0.00 C ATOM 272 CG ASP A 22 11.431 12.667 0.385 1.00 0.00 C ATOM 273 OD1 ASP A 22 12.499 13.278 0.157 1.00 0.00 O ATOM 274 OD2 ASP A 22 10.656 12.992 1.302 1.00 0.00 O ATOM 0 H ASP A 22 10.702 9.395 -1.792 1.00 0.00 H new ATOM 0 HA ASP A 22 12.837 10.391 -0.108 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.273 11.781 -1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.970 11.357 -0.461 1.00 0.00 H new ATOM 279 N LEU A 23 10.271 8.833 1.156 1.00 0.00 N ATOM 280 CA LEU A 23 9.709 8.224 2.365 1.00 0.00 C ATOM 281 C LEU A 23 9.154 9.271 3.325 1.00 0.00 C ATOM 282 O LEU A 23 9.164 9.082 4.546 1.00 0.00 O ATOM 283 CB LEU A 23 10.752 7.358 3.077 1.00 0.00 C ATOM 284 CG LEU A 23 11.147 6.075 2.346 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.148 5.290 3.170 1.00 0.00 C ATOM 286 CD2 LEU A 23 9.920 5.226 2.058 1.00 0.00 C ATOM 0 H LEU A 23 9.808 8.542 0.295 1.00 0.00 H new ATOM 0 HA LEU A 23 8.881 7.590 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.649 7.956 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.368 7.092 4.062 1.00 0.00 H new ATOM 0 HG LEU A 23 11.609 6.346 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.421 4.378 2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.039 5.896 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.704 5.030 4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.221 4.317 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.432 4.962 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.226 5.789 1.434 1.00 0.00 H new ATOM 298 N ASN A 24 8.643 10.360 2.773 1.00 0.00 N ATOM 299 CA ASN A 24 8.003 11.390 3.575 1.00 0.00 C ATOM 300 C ASN A 24 6.593 10.950 3.973 1.00 0.00 C ATOM 301 O ASN A 24 5.589 11.476 3.487 1.00 0.00 O ATOM 302 CB ASN A 24 7.976 12.738 2.834 1.00 0.00 C ATOM 303 CG ASN A 24 7.297 12.681 1.474 1.00 0.00 C ATOM 304 OD1 ASN A 24 7.304 11.653 0.793 1.00 0.00 O ATOM 305 ND2 ASN A 24 6.717 13.798 1.061 1.00 0.00 N ATOM 0 H ASN A 24 8.659 10.553 1.772 1.00 0.00 H new ATOM 0 HA ASN A 24 8.589 11.531 4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.463 13.472 3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.999 13.090 2.704 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.256 13.827 0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.732 14.629 1.652 1.00 0.00 H new ATOM 312 N TYR A 25 6.533 9.963 4.865 1.00 0.00 N ATOM 313 CA TYR A 25 5.266 9.402 5.320 1.00 0.00 C ATOM 314 C TYR A 25 4.387 10.460 5.979 1.00 0.00 C ATOM 315 O TYR A 25 3.168 10.320 6.018 1.00 0.00 O ATOM 316 CB TYR A 25 5.506 8.239 6.292 1.00 0.00 C ATOM 317 CG TYR A 25 5.977 6.959 5.625 1.00 0.00 C ATOM 318 CD1 TYR A 25 5.129 6.239 4.789 1.00 0.00 C ATOM 319 CD2 TYR A 25 7.258 6.461 5.846 1.00 0.00 C ATOM 320 CE1 TYR A 25 5.544 5.062 4.192 1.00 0.00 C ATOM 321 CE2 TYR A 25 7.680 5.283 5.248 1.00 0.00 C ATOM 322 CZ TYR A 25 6.816 4.589 4.425 1.00 0.00 C ATOM 323 OH TYR A 25 7.229 3.417 3.835 1.00 0.00 O ATOM 0 H TYR A 25 7.355 9.534 5.289 1.00 0.00 H new ATOM 0 HA TYR A 25 4.742 9.028 4.440 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.247 8.544 7.031 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.582 8.035 6.833 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.130 6.605 4.603 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.934 7.000 6.493 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.873 4.516 3.546 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.678 4.911 5.425 1.00 0.00 H new ATOM 0 HH TYR A 25 6.458 2.826 3.707 1.00 0.00 H new ATOM 333 N GLN A 26 5.009 11.526 6.473 1.00 0.00 N ATOM 334 CA GLN A 26 4.277 12.613 7.118 1.00 0.00 C ATOM 335 C GLN A 26 3.303 13.245 6.129 1.00 0.00 C ATOM 336 O GLN A 26 2.163 13.547 6.472 1.00 0.00 O ATOM 337 CB GLN A 26 5.231 13.694 7.649 1.00 0.00 C ATOM 338 CG GLN A 26 6.289 13.189 8.624 1.00 0.00 C ATOM 339 CD GLN A 26 7.382 12.381 7.948 1.00 0.00 C ATOM 340 OE1 GLN A 26 7.677 12.581 6.770 1.00 0.00 O ATOM 341 NE2 GLN A 26 7.990 11.469 8.687 1.00 0.00 N ATOM 0 H GLN A 26 6.019 11.661 6.439 1.00 0.00 H new ATOM 0 HA GLN A 26 3.730 12.190 7.960 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.732 14.164 6.803 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.643 14.468 8.142 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.738 14.040 9.137 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.809 12.575 9.386 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.715 11.335 9.660 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.734 10.899 8.284 1.00 0.00 H new ATOM 350 N TRP A 27 3.768 13.425 4.897 1.00 0.00 N ATOM 351 CA TRP A 27 2.954 14.004 3.838 1.00 0.00 C ATOM 352 C TRP A 27 2.079 12.929 3.201 1.00 0.00 C ATOM 353 O TRP A 27 0.965 13.200 2.745 1.00 0.00 O ATOM 354 CB TRP A 27 3.863 14.651 2.790 1.00 0.00 C ATOM 355 CG TRP A 27 3.129 15.279 1.646 1.00 0.00 C ATOM 356 CD1 TRP A 27 2.338 16.390 1.691 1.00 0.00 C ATOM 357 CD2 TRP A 27 3.129 14.840 0.284 1.00 0.00 C ATOM 358 NE1 TRP A 27 1.843 16.666 0.441 1.00 0.00 N ATOM 359 CE2 TRP A 27 2.313 15.728 -0.441 1.00 0.00 C ATOM 360 CE3 TRP A 27 3.739 13.780 -0.395 1.00 0.00 C ATOM 361 CZ2 TRP A 27 2.091 15.589 -1.808 1.00 0.00 C ATOM 362 CZ3 TRP A 27 3.518 13.642 -1.752 1.00 0.00 C ATOM 363 CH2 TRP A 27 2.700 14.545 -2.446 1.00 0.00 C ATOM 0 H TRP A 27 4.714 13.175 4.607 1.00 0.00 H new ATOM 0 HA TRP A 27 2.302 14.769 4.260 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.475 15.411 3.276 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.544 13.895 2.399 1.00 0.00 H new ATOM 0 HD1 TRP A 27 2.132 16.968 2.580 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.225 17.443 0.206 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.372 13.081 0.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.460 16.281 -2.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.982 12.826 -2.286 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.548 14.413 -3.507 1.00 0.00 H new ATOM 374 N PHE A 28 2.592 11.705 3.181 1.00 0.00 N ATOM 375 CA PHE A 28 1.855 10.566 2.653 1.00 0.00 C ATOM 376 C PHE A 28 0.563 10.350 3.442 1.00 0.00 C ATOM 377 O PHE A 28 -0.520 10.237 2.863 1.00 0.00 O ATOM 378 CB PHE A 28 2.734 9.313 2.710 1.00 0.00 C ATOM 379 CG PHE A 28 2.075 8.068 2.188 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.758 7.948 0.844 1.00 0.00 C ATOM 381 CD2 PHE A 28 1.781 7.016 3.039 1.00 0.00 C ATOM 382 CE1 PHE A 28 1.160 6.801 0.361 1.00 0.00 C ATOM 383 CE2 PHE A 28 1.185 5.866 2.561 1.00 0.00 C ATOM 384 CZ PHE A 28 0.874 5.758 1.218 1.00 0.00 C ATOM 0 H PHE A 28 3.523 11.476 3.528 1.00 0.00 H new ATOM 0 HA PHE A 28 1.588 10.766 1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.643 9.496 2.137 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.037 9.143 3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.981 8.760 0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.021 7.096 4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.916 6.720 -0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.962 5.052 3.235 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.408 4.860 0.841 1.00 0.00 H new ATOM 394 N TYR A 29 0.683 10.320 4.765 1.00 0.00 N ATOM 395 CA TYR A 29 -0.465 10.077 5.634 1.00 0.00 C ATOM 396 C TYR A 29 -1.480 11.217 5.576 1.00 0.00 C ATOM 397 O TYR A 29 -2.687 10.982 5.686 1.00 0.00 O ATOM 398 CB TYR A 29 -0.020 9.853 7.082 1.00 0.00 C ATOM 399 CG TYR A 29 0.500 8.455 7.357 1.00 0.00 C ATOM 400 CD1 TYR A 29 -0.332 7.349 7.223 1.00 0.00 C ATOM 401 CD2 TYR A 29 1.816 8.237 7.747 1.00 0.00 C ATOM 402 CE1 TYR A 29 0.132 6.070 7.472 1.00 0.00 C ATOM 403 CE2 TYR A 29 2.287 6.960 7.996 1.00 0.00 C ATOM 404 CZ TYR A 29 1.441 5.882 7.856 1.00 0.00 C ATOM 405 OH TYR A 29 1.908 4.609 8.107 1.00 0.00 O ATOM 0 H TYR A 29 1.564 10.461 5.260 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.951 9.174 5.266 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.759 10.575 7.328 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.861 10.054 7.745 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.359 7.491 6.919 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.483 9.079 7.858 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.529 5.223 7.366 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.313 6.809 8.299 1.00 0.00 H new ATOM 0 HH TYR A 29 2.852 4.652 8.366 1.00 0.00 H new ATOM 415 N SER A 30 -1.002 12.443 5.404 1.00 0.00 N ATOM 416 CA SER A 30 -1.887 13.593 5.367 1.00 0.00 C ATOM 417 C SER A 30 -2.681 13.630 4.065 1.00 0.00 C ATOM 418 O SER A 30 -3.886 13.877 4.078 1.00 0.00 O ATOM 419 CB SER A 30 -1.086 14.882 5.556 1.00 0.00 C ATOM 420 OG SER A 30 0.035 14.923 4.696 1.00 0.00 O ATOM 0 H SER A 30 -0.013 12.663 5.289 1.00 0.00 H new ATOM 0 HA SER A 30 -2.600 13.506 6.187 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.727 15.742 5.362 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.755 14.958 6.592 1.00 0.00 H new ATOM 0 HG SER A 30 0.016 14.148 4.097 1.00 0.00 H new ATOM 426 N GLU A 31 -2.013 13.358 2.947 1.00 0.00 N ATOM 427 CA GLU A 31 -2.673 13.371 1.645 1.00 0.00 C ATOM 428 C GLU A 31 -3.705 12.257 1.538 1.00 0.00 C ATOM 429 O GLU A 31 -4.738 12.417 0.881 1.00 0.00 O ATOM 430 CB GLU A 31 -1.652 13.261 0.515 1.00 0.00 C ATOM 431 CG GLU A 31 -0.951 14.573 0.214 1.00 0.00 C ATOM 432 CD GLU A 31 -1.925 15.661 -0.197 1.00 0.00 C ATOM 433 OE1 GLU A 31 -2.603 15.497 -1.229 1.00 0.00 O ATOM 434 OE2 GLU A 31 -2.019 16.687 0.511 1.00 0.00 O ATOM 0 H GLU A 31 -1.020 13.127 2.916 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.193 14.324 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.907 12.510 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.154 12.909 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.397 14.897 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.223 14.420 -0.582 1.00 0.00 H new ATOM 441 N LEU A 32 -3.431 11.131 2.189 1.00 0.00 N ATOM 442 CA LEU A 32 -4.383 10.031 2.234 1.00 0.00 C ATOM 443 C LEU A 32 -5.679 10.482 2.895 1.00 0.00 C ATOM 444 O LEU A 32 -6.751 10.368 2.310 1.00 0.00 O ATOM 445 CB LEU A 32 -3.802 8.833 2.989 1.00 0.00 C ATOM 446 CG LEU A 32 -2.643 8.120 2.293 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.157 6.959 3.141 1.00 0.00 C ATOM 448 CD2 LEU A 32 -3.063 7.638 0.912 1.00 0.00 C ATOM 0 H LEU A 32 -2.560 10.958 2.691 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.592 9.723 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.463 9.172 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.600 8.111 3.160 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.822 8.827 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.331 6.459 2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.818 7.331 4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.972 6.251 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.225 7.133 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.898 6.944 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.368 8.491 0.306 1.00 0.00 H new ATOM 460 N LYS A 33 -5.563 11.039 4.094 1.00 0.00 N ATOM 461 CA LYS A 33 -6.730 11.487 4.855 1.00 0.00 C ATOM 462 C LYS A 33 -7.427 12.670 4.175 1.00 0.00 C ATOM 463 O LYS A 33 -8.566 13.008 4.506 1.00 0.00 O ATOM 464 CB LYS A 33 -6.311 11.884 6.277 1.00 0.00 C ATOM 465 CG LYS A 33 -5.707 10.744 7.088 1.00 0.00 C ATOM 466 CD LYS A 33 -6.728 9.656 7.383 1.00 0.00 C ATOM 467 CE LYS A 33 -6.106 8.456 8.093 1.00 0.00 C ATOM 468 NZ LYS A 33 -5.640 8.783 9.468 1.00 0.00 N ATOM 0 H LYS A 33 -4.671 11.193 4.564 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.435 10.657 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.587 12.697 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.182 12.271 6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.867 10.315 6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.312 11.135 8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.526 10.068 8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.185 9.327 6.450 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.837 7.649 8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.265 8.087 7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.602 8.840 9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.040 9.697 9.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.952 8.041 10.126 1.00 0.00 H new ATOM 482 N ARG A 34 -6.739 13.294 3.226 1.00 0.00 N ATOM 483 CA ARG A 34 -7.256 14.475 2.543 1.00 0.00 C ATOM 484 C ARG A 34 -7.905 14.133 1.202 1.00 0.00 C ATOM 485 O ARG A 34 -8.601 14.962 0.621 1.00 0.00 O ATOM 486 CB ARG A 34 -6.133 15.499 2.349 1.00 0.00 C ATOM 487 CG ARG A 34 -6.003 16.471 3.510 1.00 0.00 C ATOM 488 CD ARG A 34 -4.577 16.980 3.684 1.00 0.00 C ATOM 489 NE ARG A 34 -3.990 17.484 2.440 1.00 0.00 N ATOM 490 CZ ARG A 34 -3.892 18.774 2.126 1.00 0.00 C ATOM 491 NH1 ARG A 34 -4.468 19.699 2.885 1.00 0.00 N ATOM 492 NH2 ARG A 34 -3.236 19.135 1.031 1.00 0.00 N ATOM 0 H ARG A 34 -5.815 12.999 2.910 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.035 14.904 3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.188 14.972 2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.316 16.060 1.432 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.671 17.317 3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.326 15.981 4.429 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.570 17.775 4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.955 16.173 4.072 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.633 16.802 1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.991 19.423 3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.388 20.685 2.637 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.810 18.426 0.435 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.158 20.122 0.785 1.00 0.00 H new ATOM 506 N HIS A 35 -7.683 12.923 0.703 1.00 0.00 N ATOM 507 CA HIS A 35 -8.266 12.519 -0.574 1.00 0.00 C ATOM 508 C HIS A 35 -8.949 11.163 -0.458 1.00 0.00 C ATOM 509 O HIS A 35 -10.159 11.044 -0.661 1.00 0.00 O ATOM 510 CB HIS A 35 -7.206 12.473 -1.682 1.00 0.00 C ATOM 511 CG HIS A 35 -6.617 13.810 -2.019 1.00 0.00 C ATOM 512 ND1 HIS A 35 -7.239 14.720 -2.850 1.00 0.00 N ATOM 513 CD2 HIS A 35 -5.451 14.388 -1.641 1.00 0.00 C ATOM 514 CE1 HIS A 35 -6.481 15.794 -2.968 1.00 0.00 C ATOM 515 NE2 HIS A 35 -5.394 15.618 -2.244 1.00 0.00 N ATOM 0 H HIS A 35 -7.110 12.210 1.156 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.012 13.268 -0.839 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.404 11.801 -1.376 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.653 12.047 -2.581 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.706 13.960 -0.987 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.712 16.669 -3.558 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.632 16.289 -2.148 1.00 0.00 H new ATOM 524 N ASN A 36 -8.168 10.147 -0.120 1.00 0.00 N ATOM 525 CA ASN A 36 -8.689 8.797 0.015 1.00 0.00 C ATOM 526 C ASN A 36 -9.384 8.643 1.358 1.00 0.00 C ATOM 527 O ASN A 36 -8.760 8.316 2.360 1.00 0.00 O ATOM 528 CB ASN A 36 -7.565 7.766 -0.123 1.00 0.00 C ATOM 529 CG ASN A 36 -8.053 6.343 0.073 1.00 0.00 C ATOM 530 OD1 ASN A 36 -9.192 6.011 -0.249 1.00 0.00 O ATOM 531 ND2 ASN A 36 -7.193 5.495 0.612 1.00 0.00 N ATOM 0 H ASN A 36 -7.169 10.234 0.066 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.412 8.621 -0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.111 7.858 -1.110 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.786 7.983 0.608 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.466 4.526 0.774 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.257 5.810 0.865 1.00 0.00 H new ATOM 538 N VAL A 37 -10.669 8.932 1.370 1.00 0.00 N ATOM 539 CA VAL A 37 -11.457 8.867 2.592 1.00 0.00 C ATOM 540 C VAL A 37 -11.818 7.423 2.950 1.00 0.00 C ATOM 541 O VAL A 37 -11.930 7.073 4.126 1.00 0.00 O ATOM 542 CB VAL A 37 -12.746 9.707 2.457 1.00 0.00 C ATOM 543 CG1 VAL A 37 -13.532 9.722 3.763 1.00 0.00 C ATOM 544 CG2 VAL A 37 -12.411 11.127 2.015 1.00 0.00 C ATOM 0 H VAL A 37 -11.196 9.216 0.544 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.844 9.278 3.395 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.373 9.244 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.434 10.321 3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.808 8.703 4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.917 10.153 4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.330 11.706 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.759 11.594 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.904 11.098 1.051 1.00 0.00 H new ATOM 554 N SER A 38 -11.984 6.579 1.939 1.00 0.00 N ATOM 555 CA SER A 38 -12.429 5.216 2.181 1.00 0.00 C ATOM 556 C SER A 38 -11.256 4.237 2.218 1.00 0.00 C ATOM 557 O SER A 38 -10.803 3.853 3.295 1.00 0.00 O ATOM 558 CB SER A 38 -13.458 4.780 1.135 1.00 0.00 C ATOM 559 OG SER A 38 -13.973 3.490 1.438 1.00 0.00 O ATOM 0 H SER A 38 -11.820 6.811 0.959 1.00 0.00 H new ATOM 0 HA SER A 38 -12.905 5.202 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.274 5.502 1.098 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.997 4.769 0.147 1.00 0.00 H new ATOM 0 HG SER A 38 -13.727 2.864 0.726 1.00 0.00 H new ATOM 565 N HIS A 39 -10.750 3.841 1.050 1.00 0.00 N ATOM 566 CA HIS A 39 -9.739 2.787 0.990 1.00 0.00 C ATOM 567 C HIS A 39 -9.098 2.699 -0.393 1.00 0.00 C ATOM 568 O HIS A 39 -9.750 2.946 -1.406 1.00 0.00 O ATOM 569 CB HIS A 39 -10.370 1.429 1.347 1.00 0.00 C ATOM 570 CG HIS A 39 -11.383 0.937 0.346 1.00 0.00 C ATOM 571 ND1 HIS A 39 -12.678 1.406 0.285 1.00 0.00 N ATOM 572 CD2 HIS A 39 -11.274 0.022 -0.649 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.318 0.803 -0.698 1.00 0.00 C ATOM 574 NE2 HIS A 39 -12.490 -0.041 -1.282 1.00 0.00 N ATOM 0 H HIS A 39 -11.019 4.228 0.145 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.961 3.037 1.712 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.578 0.686 1.441 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.849 1.509 2.323 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.393 -0.551 -0.897 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.347 0.972 -0.978 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.716 -0.642 -2.074 1.00 0.00 H new ATOM 583 N TYR A 40 -7.822 2.333 -0.431 1.00 0.00 N ATOM 584 CA TYR A 40 -7.161 2.035 -1.694 1.00 0.00 C ATOM 585 C TYR A 40 -6.615 0.612 -1.656 1.00 0.00 C ATOM 586 O TYR A 40 -5.987 0.202 -0.678 1.00 0.00 O ATOM 587 CB TYR A 40 -6.059 3.060 -2.034 1.00 0.00 C ATOM 588 CG TYR A 40 -4.779 2.975 -1.220 1.00 0.00 C ATOM 589 CD1 TYR A 40 -3.743 2.132 -1.609 1.00 0.00 C ATOM 590 CD2 TYR A 40 -4.592 3.759 -0.089 1.00 0.00 C ATOM 591 CE1 TYR A 40 -2.566 2.069 -0.891 1.00 0.00 C ATOM 592 CE2 TYR A 40 -3.414 3.706 0.630 1.00 0.00 C ATOM 593 CZ TYR A 40 -2.405 2.859 0.226 1.00 0.00 C ATOM 594 OH TYR A 40 -1.231 2.806 0.941 1.00 0.00 O ATOM 0 H TYR A 40 -7.229 2.236 0.393 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.897 2.112 -2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.802 2.947 -3.087 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.475 4.060 -1.913 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.862 1.516 -2.488 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.381 4.422 0.234 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.775 1.403 -1.203 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.284 4.326 1.505 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.281 3.426 1.698 1.00 0.00 H new ATOM 604 N ILE A 41 -6.904 -0.147 -2.700 1.00 0.00 N ATOM 605 CA ILE A 41 -6.498 -1.542 -2.778 1.00 0.00 C ATOM 606 C ILE A 41 -5.360 -1.703 -3.771 1.00 0.00 C ATOM 607 O ILE A 41 -5.556 -1.578 -4.978 1.00 0.00 O ATOM 608 CB ILE A 41 -7.670 -2.441 -3.218 1.00 0.00 C ATOM 609 CG1 ILE A 41 -8.908 -2.145 -2.375 1.00 0.00 C ATOM 610 CG2 ILE A 41 -7.283 -3.912 -3.102 1.00 0.00 C ATOM 611 CD1 ILE A 41 -10.182 -2.704 -2.962 1.00 0.00 C ATOM 0 H ILE A 41 -7.424 0.183 -3.513 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.172 -1.845 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.902 -2.227 -4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.765 -2.558 -1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.012 -1.066 -2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.121 -4.535 -3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.422 -4.113 -3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.029 -4.141 -2.067 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.021 -2.457 -2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.348 -2.272 -3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.098 -3.787 -3.049 1.00 0.00 H new ATOM 623 N TYR A 42 -4.177 -1.965 -3.264 1.00 0.00 N ATOM 624 CA TYR A 42 -3.015 -2.126 -4.113 1.00 0.00 C ATOM 625 C TYR A 42 -2.881 -3.586 -4.529 1.00 0.00 C ATOM 626 O TYR A 42 -2.611 -4.453 -3.700 1.00 0.00 O ATOM 627 CB TYR A 42 -1.758 -1.672 -3.368 1.00 0.00 C ATOM 628 CG TYR A 42 -0.619 -1.248 -4.268 1.00 0.00 C ATOM 629 CD1 TYR A 42 -0.118 -2.093 -5.248 1.00 0.00 C ATOM 630 CD2 TYR A 42 -0.044 0.007 -4.127 1.00 0.00 C ATOM 631 CE1 TYR A 42 0.921 -1.696 -6.068 1.00 0.00 C ATOM 632 CE2 TYR A 42 0.997 0.411 -4.941 1.00 0.00 C ATOM 633 CZ TYR A 42 1.475 -0.444 -5.910 1.00 0.00 C ATOM 634 OH TYR A 42 2.507 -0.046 -6.726 1.00 0.00 O ATOM 0 H TYR A 42 -3.992 -2.072 -2.267 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.134 -1.512 -5.006 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.018 -0.839 -2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.416 -2.485 -2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.547 -3.076 -5.372 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.416 0.679 -3.368 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.297 -2.364 -6.829 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.433 1.391 -4.818 1.00 0.00 H new ATOM 0 HH TYR A 42 2.783 0.863 -6.485 1.00 0.00 H new ATOM 644 N TYR A 43 -3.098 -3.857 -5.805 1.00 0.00 N ATOM 645 CA TYR A 43 -2.896 -5.196 -6.336 1.00 0.00 C ATOM 646 C TYR A 43 -1.443 -5.344 -6.757 1.00 0.00 C ATOM 647 O TYR A 43 -1.069 -4.948 -7.859 1.00 0.00 O ATOM 648 CB TYR A 43 -3.822 -5.466 -7.526 1.00 0.00 C ATOM 649 CG TYR A 43 -5.284 -5.238 -7.224 1.00 0.00 C ATOM 650 CD1 TYR A 43 -5.989 -6.103 -6.398 1.00 0.00 C ATOM 651 CD2 TYR A 43 -5.960 -4.157 -7.772 1.00 0.00 C ATOM 652 CE1 TYR A 43 -7.328 -5.893 -6.124 1.00 0.00 C ATOM 653 CE2 TYR A 43 -7.294 -3.942 -7.504 1.00 0.00 C ATOM 654 CZ TYR A 43 -7.975 -4.810 -6.682 1.00 0.00 C ATOM 655 OH TYR A 43 -9.308 -4.586 -6.412 1.00 0.00 O ATOM 0 H TYR A 43 -3.413 -3.171 -6.491 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.135 -5.924 -5.561 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.528 -4.824 -8.356 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.685 -6.496 -7.855 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.484 -6.953 -5.963 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.431 -3.473 -8.419 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -7.864 -6.572 -5.477 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.804 -3.095 -7.938 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.558 -3.690 -6.721 1.00 0.00 H new ATOM 665 N LEU A 44 -0.636 -5.906 -5.864 1.00 0.00 N ATOM 666 CA LEU A 44 0.818 -5.938 -6.029 1.00 0.00 C ATOM 667 C LEU A 44 1.249 -6.552 -7.359 1.00 0.00 C ATOM 668 O LEU A 44 2.039 -5.954 -8.084 1.00 0.00 O ATOM 669 CB LEU A 44 1.483 -6.695 -4.871 1.00 0.00 C ATOM 670 CG LEU A 44 1.447 -5.988 -3.510 1.00 0.00 C ATOM 671 CD1 LEU A 44 0.062 -6.057 -2.886 1.00 0.00 C ATOM 672 CD2 LEU A 44 2.480 -6.587 -2.574 1.00 0.00 C ATOM 0 H LEU A 44 -0.966 -6.351 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 44 1.148 -4.899 -6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.998 -7.666 -4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.524 -6.885 -5.134 1.00 0.00 H new ATOM 0 HG LEU A 44 1.688 -4.938 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.071 -5.547 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.659 -5.574 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.220 -7.100 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.441 -6.074 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.268 -7.646 -2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.474 -6.472 -3.007 1.00 0.00 H new ATOM 684 N ALA A 45 0.709 -7.722 -7.691 1.00 0.00 N ATOM 685 CA ALA A 45 1.147 -8.462 -8.878 1.00 0.00 C ATOM 686 C ALA A 45 0.749 -7.768 -10.179 1.00 0.00 C ATOM 687 O ALA A 45 1.173 -8.169 -11.261 1.00 0.00 O ATOM 688 CB ALA A 45 0.598 -9.880 -8.854 1.00 0.00 C ATOM 0 H ALA A 45 -0.031 -8.180 -7.158 1.00 0.00 H new ATOM 0 HA ALA A 45 2.236 -8.494 -8.847 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.933 -10.415 -9.743 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.958 -10.395 -7.963 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.491 -9.848 -8.839 1.00 0.00 H new ATOM 694 N THR A 46 -0.078 -6.740 -10.075 1.00 0.00 N ATOM 695 CA THR A 46 -0.484 -5.973 -11.242 1.00 0.00 C ATOM 696 C THR A 46 0.028 -4.537 -11.122 1.00 0.00 C ATOM 697 O THR A 46 -0.038 -3.752 -12.070 1.00 0.00 O ATOM 698 CB THR A 46 -2.021 -5.967 -11.378 1.00 0.00 C ATOM 699 OG1 THR A 46 -2.537 -7.273 -11.078 1.00 0.00 O ATOM 700 CG2 THR A 46 -2.450 -5.575 -12.787 1.00 0.00 C ATOM 0 H THR A 46 -0.481 -6.418 -9.195 1.00 0.00 H new ATOM 0 HA THR A 46 -0.056 -6.438 -12.130 1.00 0.00 H new ATOM 0 HB THR A 46 -2.418 -5.233 -10.677 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.513 -7.267 -11.163 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.538 -5.580 -12.851 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.078 -4.576 -13.016 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.041 -6.288 -13.503 1.00 0.00 H new ATOM 708 N GLU A 47 0.550 -4.215 -9.937 1.00 0.00 N ATOM 709 CA GLU A 47 0.971 -2.860 -9.588 1.00 0.00 C ATOM 710 C GLU A 47 -0.142 -1.845 -9.858 1.00 0.00 C ATOM 711 O GLU A 47 0.119 -0.683 -10.165 1.00 0.00 O ATOM 712 CB GLU A 47 2.261 -2.480 -10.321 1.00 0.00 C ATOM 713 CG GLU A 47 3.476 -3.247 -9.816 1.00 0.00 C ATOM 714 CD GLU A 47 4.782 -2.677 -10.327 1.00 0.00 C ATOM 715 OE1 GLU A 47 5.046 -1.480 -10.079 1.00 0.00 O ATOM 716 OE2 GLU A 47 5.555 -3.423 -10.963 1.00 0.00 O ATOM 0 H GLU A 47 0.693 -4.893 -9.188 1.00 0.00 H new ATOM 0 HA GLU A 47 1.178 -2.841 -8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.136 -2.668 -11.387 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.438 -1.411 -10.204 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.481 -3.235 -8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.395 -4.290 -10.122 1.00 0.00 H new ATOM 723 N ASN A 48 -1.384 -2.292 -9.716 1.00 0.00 N ATOM 724 CA ASN A 48 -2.543 -1.422 -9.884 1.00 0.00 C ATOM 725 C ASN A 48 -3.060 -0.962 -8.530 1.00 0.00 C ATOM 726 O ASN A 48 -3.307 -1.775 -7.640 1.00 0.00 O ATOM 727 CB ASN A 48 -3.668 -2.139 -10.639 1.00 0.00 C ATOM 728 CG ASN A 48 -3.577 -1.994 -12.148 1.00 0.00 C ATOM 729 OD1 ASN A 48 -4.598 -1.944 -12.830 1.00 0.00 O ATOM 730 ND2 ASN A 48 -2.368 -1.945 -12.685 1.00 0.00 N ATOM 0 H ASN A 48 -1.616 -3.258 -9.484 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.226 -0.557 -10.467 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.649 -3.198 -10.382 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.628 -1.747 -10.302 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.262 -1.863 -13.696 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.542 -1.989 -12.088 1.00 0.00 H new ATOM 737 N VAL A 49 -3.209 0.342 -8.375 1.00 0.00 N ATOM 738 CA VAL A 49 -3.715 0.906 -7.136 1.00 0.00 C ATOM 739 C VAL A 49 -5.192 1.257 -7.291 1.00 0.00 C ATOM 740 O VAL A 49 -5.540 2.204 -7.992 1.00 0.00 O ATOM 741 CB VAL A 49 -2.927 2.169 -6.727 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.241 2.557 -5.292 1.00 0.00 C ATOM 743 CG2 VAL A 49 -1.430 1.960 -6.918 1.00 0.00 C ATOM 0 H VAL A 49 -2.986 1.031 -9.093 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.591 0.157 -6.353 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.238 2.988 -7.376 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.675 3.449 -5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.307 2.761 -5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.966 1.739 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.896 2.863 -6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.098 1.125 -6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.224 1.742 -7.966 1.00 0.00 H new ATOM 753 N HIS A 50 -6.048 0.471 -6.655 1.00 0.00 N ATOM 754 CA HIS A 50 -7.495 0.641 -6.752 1.00 0.00 C ATOM 755 C HIS A 50 -7.998 1.561 -5.635 1.00 0.00 C ATOM 756 O HIS A 50 -8.409 1.097 -4.573 1.00 0.00 O ATOM 757 CB HIS A 50 -8.158 -0.743 -6.667 1.00 0.00 C ATOM 758 CG HIS A 50 -9.632 -0.781 -6.955 1.00 0.00 C ATOM 759 ND1 HIS A 50 -10.367 -1.949 -6.917 1.00 0.00 N ATOM 760 CD2 HIS A 50 -10.506 0.197 -7.282 1.00 0.00 C ATOM 761 CE1 HIS A 50 -11.627 -1.683 -7.210 1.00 0.00 C ATOM 762 NE2 HIS A 50 -11.735 -0.389 -7.435 1.00 0.00 N ATOM 0 H HIS A 50 -5.762 -0.304 -6.056 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.754 1.106 -7.703 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -7.653 -1.410 -7.366 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.992 -1.144 -5.667 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.278 1.246 -7.401 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.431 -2.403 -7.257 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -12.596 0.098 -7.683 1.00 0.00 H new ATOM 771 N ILE A 51 -7.945 2.862 -5.880 1.00 0.00 N ATOM 772 CA ILE A 51 -8.300 3.858 -4.872 1.00 0.00 C ATOM 773 C ILE A 51 -9.760 4.270 -4.992 1.00 0.00 C ATOM 774 O ILE A 51 -10.149 4.909 -5.967 1.00 0.00 O ATOM 775 CB ILE A 51 -7.437 5.124 -5.017 1.00 0.00 C ATOM 776 CG1 ILE A 51 -5.961 4.749 -5.111 1.00 0.00 C ATOM 777 CG2 ILE A 51 -7.676 6.073 -3.846 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.086 5.878 -5.596 1.00 0.00 C ATOM 0 H ILE A 51 -7.657 3.258 -6.775 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.125 3.395 -3.901 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.724 5.637 -5.935 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.613 4.425 -4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.852 3.899 -5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.057 6.962 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.727 6.363 -3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.415 5.573 -2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.050 5.543 -5.639 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.409 6.187 -6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.166 6.721 -4.910 1.00 0.00 H new ATOM 790 N VAL A 52 -10.565 3.907 -4.011 1.00 0.00 N ATOM 791 CA VAL A 52 -11.956 4.324 -3.993 1.00 0.00 C ATOM 792 C VAL A 52 -12.146 5.439 -2.972 1.00 0.00 C ATOM 793 O VAL A 52 -11.907 5.247 -1.776 1.00 0.00 O ATOM 794 CB VAL A 52 -12.906 3.156 -3.654 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.359 3.596 -3.768 1.00 0.00 C ATOM 796 CG2 VAL A 52 -12.636 1.961 -4.558 1.00 0.00 C ATOM 0 H VAL A 52 -10.283 3.328 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.204 4.680 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.719 2.853 -2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -15.013 2.758 -3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.546 4.416 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.559 3.929 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.317 1.149 -4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.790 2.249 -5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.607 1.628 -4.423 1.00 0.00 H new ATOM 806 N LEU A 53 -12.559 6.605 -3.451 1.00 0.00 N ATOM 807 CA LEU A 53 -12.765 7.756 -2.581 1.00 0.00 C ATOM 808 C LEU A 53 -14.092 7.629 -1.839 1.00 0.00 C ATOM 809 O LEU A 53 -14.681 6.552 -1.792 1.00 0.00 O ATOM 810 CB LEU A 53 -12.742 9.052 -3.397 1.00 0.00 C ATOM 811 CG LEU A 53 -11.479 9.275 -4.233 1.00 0.00 C ATOM 812 CD1 LEU A 53 -11.525 10.633 -4.910 1.00 0.00 C ATOM 813 CD2 LEU A 53 -10.232 9.153 -3.370 1.00 0.00 C ATOM 0 H LEU A 53 -12.758 6.779 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.956 7.786 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.605 9.058 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.860 9.894 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.438 8.504 -5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.620 10.776 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.396 10.685 -5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.592 11.415 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.347 9.315 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.264 9.899 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.190 8.157 -2.930 1.00 0.00 H new ATOM 825 N LYS A 54 -14.554 8.730 -1.257 1.00 0.00 N ATOM 826 CA LYS A 54 -15.812 8.723 -0.519 1.00 0.00 C ATOM 827 C LYS A 54 -16.999 8.473 -1.454 1.00 0.00 C ATOM 828 O LYS A 54 -17.600 7.403 -1.420 1.00 0.00 O ATOM 829 CB LYS A 54 -15.979 10.020 0.292 1.00 0.00 C ATOM 830 CG LYS A 54 -15.490 11.284 -0.406 1.00 0.00 C ATOM 831 CD LYS A 54 -15.481 12.466 0.552 1.00 0.00 C ATOM 832 CE LYS A 54 -14.989 13.742 -0.112 1.00 0.00 C ATOM 833 NZ LYS A 54 -15.883 14.181 -1.215 1.00 0.00 N ATOM 0 H LYS A 54 -14.080 9.633 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.787 7.897 0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -17.034 10.144 0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.442 9.913 1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.486 11.122 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.133 11.506 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.488 12.625 0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.844 12.234 1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.919 14.534 0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.984 13.582 -0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.609 15.135 -1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.800 13.520 -2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.867 14.196 -0.879 1.00 0.00 H new ATOM 847 N ASN A 55 -17.327 9.445 -2.300 1.00 0.00 N ATOM 848 CA ASN A 55 -18.403 9.278 -3.276 1.00 0.00 C ATOM 849 C ASN A 55 -18.054 10.007 -4.564 1.00 0.00 C ATOM 850 O ASN A 55 -18.915 10.237 -5.411 1.00 0.00 O ATOM 851 CB ASN A 55 -19.739 9.810 -2.740 1.00 0.00 C ATOM 852 CG ASN A 55 -20.216 9.090 -1.493 1.00 0.00 C ATOM 853 OD1 ASN A 55 -19.940 9.517 -0.372 1.00 0.00 O ATOM 854 ND2 ASN A 55 -20.933 7.991 -1.673 1.00 0.00 N ATOM 0 H ASN A 55 -16.866 10.354 -2.331 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.511 8.211 -3.469 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.637 10.873 -2.521 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -20.497 9.716 -3.517 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -21.276 7.468 -0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -21.142 7.667 -2.617 1.00 0.00 H new ATOM 861 N ASP A 56 -16.784 10.361 -4.704 1.00 0.00 N ATOM 862 CA ASP A 56 -16.320 11.120 -5.863 1.00 0.00 C ATOM 863 C ASP A 56 -16.111 10.202 -7.057 1.00 0.00 C ATOM 864 O ASP A 56 -16.892 10.216 -8.009 1.00 0.00 O ATOM 865 CB ASP A 56 -15.017 11.859 -5.540 1.00 0.00 C ATOM 866 CG ASP A 56 -15.204 12.962 -4.523 1.00 0.00 C ATOM 867 OD1 ASP A 56 -15.509 12.652 -3.352 1.00 0.00 O ATOM 868 OD2 ASP A 56 -15.036 14.146 -4.883 1.00 0.00 O ATOM 0 H ASP A 56 -16.053 10.135 -4.029 1.00 0.00 H new ATOM 0 HA ASP A 56 -17.087 11.853 -6.113 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.284 11.145 -5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.608 12.283 -6.457 1.00 0.00 H new ATOM 873 N ASN A 57 -15.061 9.395 -6.997 1.00 0.00 N ATOM 874 CA ASN A 57 -14.746 8.462 -8.069 1.00 0.00 C ATOM 875 C ASN A 57 -13.698 7.459 -7.608 1.00 0.00 C ATOM 876 O ASN A 57 -13.360 7.400 -6.423 1.00 0.00 O ATOM 877 CB ASN A 57 -14.244 9.204 -9.323 1.00 0.00 C ATOM 878 CG ASN A 57 -12.881 9.857 -9.137 1.00 0.00 C ATOM 879 OD1 ASN A 57 -12.533 10.315 -8.050 1.00 0.00 O ATOM 880 ND2 ASN A 57 -12.099 9.892 -10.205 1.00 0.00 N ATOM 0 H ASN A 57 -14.410 9.368 -6.212 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.662 7.930 -8.328 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -14.191 8.501 -10.155 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.970 9.969 -9.598 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.171 10.310 -10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.425 9.501 -11.089 1.00 0.00 H new ATOM 887 N THR A 58 -13.212 6.661 -8.542 1.00 0.00 N ATOM 888 CA THR A 58 -12.169 5.698 -8.264 1.00 0.00 C ATOM 889 C THR A 58 -10.926 6.023 -9.084 1.00 0.00 C ATOM 890 O THR A 58 -11.021 6.355 -10.266 1.00 0.00 O ATOM 891 CB THR A 58 -12.638 4.271 -8.596 1.00 0.00 C ATOM 892 OG1 THR A 58 -13.919 4.027 -7.998 1.00 0.00 O ATOM 893 CG2 THR A 58 -11.634 3.244 -8.098 1.00 0.00 C ATOM 0 H THR A 58 -13.530 6.664 -9.511 1.00 0.00 H new ATOM 0 HA THR A 58 -11.933 5.753 -7.201 1.00 0.00 H new ATOM 0 HB THR A 58 -12.720 4.179 -9.679 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.213 3.118 -8.214 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.986 2.242 -8.344 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.669 3.417 -8.575 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.525 3.336 -7.017 1.00 0.00 H new ATOM 901 N VAL A 59 -9.768 5.939 -8.453 1.00 0.00 N ATOM 902 CA VAL A 59 -8.509 6.207 -9.121 1.00 0.00 C ATOM 903 C VAL A 59 -7.699 4.923 -9.218 1.00 0.00 C ATOM 904 O VAL A 59 -7.428 4.282 -8.205 1.00 0.00 O ATOM 905 CB VAL A 59 -7.687 7.275 -8.368 1.00 0.00 C ATOM 906 CG1 VAL A 59 -6.430 7.640 -9.144 1.00 0.00 C ATOM 907 CG2 VAL A 59 -8.529 8.510 -8.099 1.00 0.00 C ATOM 0 H VAL A 59 -9.675 5.685 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.731 6.587 -10.118 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.383 6.853 -7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.868 8.394 -8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.813 6.751 -9.275 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.708 8.036 -10.121 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.930 9.250 -7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.870 8.931 -9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.392 8.237 -7.491 1.00 0.00 H new ATOM 917 N LEU A 60 -7.338 4.537 -10.430 1.00 0.00 N ATOM 918 CA LEU A 60 -6.565 3.322 -10.632 1.00 0.00 C ATOM 919 C LEU A 60 -5.191 3.650 -11.203 1.00 0.00 C ATOM 920 O LEU A 60 -5.049 3.882 -12.406 1.00 0.00 O ATOM 921 CB LEU A 60 -7.294 2.337 -11.558 1.00 0.00 C ATOM 922 CG LEU A 60 -8.583 1.723 -11.000 1.00 0.00 C ATOM 923 CD1 LEU A 60 -9.754 2.686 -11.134 1.00 0.00 C ATOM 924 CD2 LEU A 60 -8.888 0.406 -11.698 1.00 0.00 C ATOM 0 H LEU A 60 -7.566 5.044 -11.285 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.444 2.847 -9.659 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.533 2.852 -12.489 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.608 1.528 -11.808 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.433 1.528 -9.938 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.654 2.223 -10.730 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.538 3.601 -10.582 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.910 2.925 -12.186 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.806 -0.018 -11.291 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.012 0.581 -12.767 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.065 -0.290 -11.537 1.00 0.00 H new ATOM 936 N LEU A 61 -4.191 3.685 -10.338 1.00 0.00 N ATOM 937 CA LEU A 61 -2.826 3.971 -10.761 1.00 0.00 C ATOM 938 C LEU A 61 -2.174 2.706 -11.299 1.00 0.00 C ATOM 939 O LEU A 61 -2.269 1.643 -10.683 1.00 0.00 O ATOM 940 CB LEU A 61 -1.996 4.509 -9.593 1.00 0.00 C ATOM 941 CG LEU A 61 -2.658 5.612 -8.766 1.00 0.00 C ATOM 942 CD1 LEU A 61 -1.791 5.957 -7.565 1.00 0.00 C ATOM 943 CD2 LEU A 61 -2.902 6.850 -9.617 1.00 0.00 C ATOM 0 H LEU A 61 -4.297 3.519 -9.337 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.864 4.728 -11.544 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.753 3.679 -8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.053 4.890 -9.985 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.622 5.247 -8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.272 6.743 -6.983 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.663 5.072 -6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.816 6.304 -7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.374 7.622 -9.009 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.952 7.221 -10.001 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.556 6.595 -10.451 1.00 0.00 H new ATOM 955 N LYS A 62 -1.532 2.812 -12.448 1.00 0.00 N ATOM 956 CA LYS A 62 -0.831 1.680 -13.029 1.00 0.00 C ATOM 957 C LYS A 62 0.677 1.833 -12.832 1.00 0.00 C ATOM 958 O LYS A 62 1.288 2.784 -13.317 1.00 0.00 O ATOM 959 CB LYS A 62 -1.183 1.537 -14.515 1.00 0.00 C ATOM 960 CG LYS A 62 -0.832 2.755 -15.361 1.00 0.00 C ATOM 961 CD LYS A 62 -1.442 2.672 -16.750 1.00 0.00 C ATOM 962 CE LYS A 62 -2.958 2.788 -16.699 1.00 0.00 C ATOM 963 NZ LYS A 62 -3.571 2.749 -18.052 1.00 0.00 N ATOM 0 H LYS A 62 -1.481 3.670 -12.998 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.149 0.770 -12.520 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.664 0.667 -14.918 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.251 1.341 -14.606 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.185 3.658 -14.862 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.252 2.840 -15.444 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.036 3.467 -17.375 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.163 1.726 -17.215 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.362 1.975 -16.095 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.233 3.720 -16.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.604 2.831 -17.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.206 3.539 -18.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.332 1.849 -18.516 1.00 0.00 H new ATOM 1039 N ILE A 67 6.496 -6.235 -10.961 1.00 0.00 N ATOM 1040 CA ILE A 67 6.485 -7.020 -9.741 1.00 0.00 C ATOM 1041 C ILE A 67 5.235 -7.894 -9.704 1.00 0.00 C ATOM 1042 O ILE A 67 4.204 -7.538 -9.140 1.00 0.00 O ATOM 1043 CB ILE A 67 6.607 -6.139 -8.461 1.00 0.00 C ATOM 1044 CG1 ILE A 67 8.023 -5.555 -8.328 1.00 0.00 C ATOM 1045 CG2 ILE A 67 6.276 -6.938 -7.204 1.00 0.00 C ATOM 1046 CD1 ILE A 67 8.404 -4.557 -9.404 1.00 0.00 C ATOM 0 HA ILE A 67 7.366 -7.661 -9.746 1.00 0.00 H new ATOM 0 HB ILE A 67 5.889 -5.325 -8.563 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.111 -5.070 -7.356 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.741 -6.375 -8.342 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.370 -6.295 -6.329 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.255 -7.314 -7.270 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.966 -7.777 -7.114 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.419 -4.200 -9.227 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.354 -5.038 -10.381 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.714 -3.714 -9.379 1.00 0.00 H new ATOM 1058 N VAL A 68 5.334 -9.025 -10.383 1.00 0.00 N ATOM 1059 CA VAL A 68 4.278 -10.018 -10.402 1.00 0.00 C ATOM 1060 C VAL A 68 4.735 -11.221 -9.593 1.00 0.00 C ATOM 1061 O VAL A 68 4.187 -12.322 -9.670 1.00 0.00 O ATOM 1062 CB VAL A 68 3.931 -10.418 -11.858 1.00 0.00 C ATOM 1063 CG1 VAL A 68 5.071 -11.196 -12.502 1.00 0.00 C ATOM 1064 CG2 VAL A 68 2.623 -11.200 -11.926 1.00 0.00 C ATOM 0 H VAL A 68 6.152 -9.279 -10.937 1.00 0.00 H new ATOM 0 HA VAL A 68 3.371 -9.607 -9.958 1.00 0.00 H new ATOM 0 HB VAL A 68 3.793 -9.498 -12.426 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.798 -11.463 -13.523 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.970 -10.580 -12.516 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.262 -12.103 -11.929 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.411 -11.464 -12.962 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.711 -12.109 -11.330 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.812 -10.587 -11.534 1.00 0.00 H new ATOM 1074 N SER A 69 5.722 -10.960 -8.762 1.00 0.00 N ATOM 1075 CA SER A 69 6.405 -11.985 -8.010 1.00 0.00 C ATOM 1076 C SER A 69 5.675 -12.324 -6.711 1.00 0.00 C ATOM 1077 O SER A 69 6.284 -12.796 -5.750 1.00 0.00 O ATOM 1078 CB SER A 69 7.824 -11.505 -7.738 1.00 0.00 C ATOM 1079 OG SER A 69 7.833 -10.151 -7.307 1.00 0.00 O ATOM 0 H SER A 69 6.075 -10.019 -8.590 1.00 0.00 H new ATOM 0 HA SER A 69 6.427 -12.906 -8.592 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.285 -12.135 -6.977 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.425 -11.606 -8.642 1.00 0.00 H new ATOM 0 HG SER A 69 7.927 -9.561 -8.084 1.00 0.00 H new ATOM 1085 N VAL A 70 4.367 -12.099 -6.692 1.00 0.00 N ATOM 1086 CA VAL A 70 3.544 -12.516 -5.570 1.00 0.00 C ATOM 1087 C VAL A 70 3.471 -14.036 -5.549 1.00 0.00 C ATOM 1088 O VAL A 70 2.921 -14.655 -6.462 1.00 0.00 O ATOM 1089 CB VAL A 70 2.120 -11.924 -5.644 1.00 0.00 C ATOM 1090 CG1 VAL A 70 1.270 -12.410 -4.476 1.00 0.00 C ATOM 1091 CG2 VAL A 70 2.179 -10.402 -5.672 1.00 0.00 C ATOM 0 H VAL A 70 3.857 -11.631 -7.441 1.00 0.00 H new ATOM 0 HA VAL A 70 4.002 -12.143 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 70 1.652 -12.268 -6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.271 -11.980 -4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.200 -13.497 -4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.730 -12.101 -3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.167 -10.000 -5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.667 -10.040 -4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.745 -10.076 -6.545 1.00 0.00 H new ATOM 1101 N LYS A 71 4.060 -14.628 -4.525 1.00 0.00 N ATOM 1102 CA LYS A 71 4.197 -16.073 -4.453 1.00 0.00 C ATOM 1103 C LYS A 71 3.060 -16.681 -3.646 1.00 0.00 C ATOM 1104 O LYS A 71 2.406 -15.987 -2.862 1.00 0.00 O ATOM 1105 CB LYS A 71 5.554 -16.423 -3.833 1.00 0.00 C ATOM 1106 CG LYS A 71 6.705 -15.690 -4.502 1.00 0.00 C ATOM 1107 CD LYS A 71 8.059 -16.086 -3.940 1.00 0.00 C ATOM 1108 CE LYS A 71 9.173 -15.290 -4.606 1.00 0.00 C ATOM 1109 NZ LYS A 71 10.526 -15.753 -4.199 1.00 0.00 N ATOM 0 H LYS A 71 4.453 -14.128 -3.728 1.00 0.00 H new ATOM 0 HA LYS A 71 4.147 -16.489 -5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.539 -16.177 -2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.718 -17.498 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.687 -15.894 -5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.566 -14.616 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.076 -15.914 -2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.225 -17.152 -4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.075 -15.371 -5.689 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.062 -14.235 -4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.248 -15.180 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.632 -15.652 -3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.645 -16.752 -4.463 1.00 0.00 H new ATOM 1123 N PHE A 72 2.815 -17.970 -3.845 1.00 0.00 N ATOM 1124 CA PHE A 72 1.770 -18.658 -3.102 1.00 0.00 C ATOM 1125 C PHE A 72 2.233 -18.937 -1.674 1.00 0.00 C ATOM 1126 O PHE A 72 2.643 -20.043 -1.323 1.00 0.00 O ATOM 1127 CB PHE A 72 1.306 -19.944 -3.821 1.00 0.00 C ATOM 1128 CG PHE A 72 2.398 -20.916 -4.202 1.00 0.00 C ATOM 1129 CD1 PHE A 72 3.234 -20.660 -5.279 1.00 0.00 C ATOM 1130 CD2 PHE A 72 2.573 -22.095 -3.493 1.00 0.00 C ATOM 1131 CE1 PHE A 72 4.224 -21.557 -5.635 1.00 0.00 C ATOM 1132 CE2 PHE A 72 3.559 -22.997 -3.847 1.00 0.00 C ATOM 1133 CZ PHE A 72 4.386 -22.726 -4.918 1.00 0.00 C ATOM 0 H PHE A 72 3.322 -18.555 -4.509 1.00 0.00 H new ATOM 0 HA PHE A 72 0.900 -18.003 -3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.594 -20.461 -3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.769 -19.658 -4.725 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.110 -19.749 -5.846 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.930 -22.311 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.870 -21.344 -6.473 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.682 -23.912 -3.286 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.159 -23.427 -5.195 1.00 0.00 H new ATOM 1143 N SER A 73 2.203 -17.894 -0.866 1.00 0.00 N ATOM 1144 CA SER A 73 2.648 -17.965 0.509 1.00 0.00 C ATOM 1145 C SER A 73 1.645 -17.276 1.421 1.00 0.00 C ATOM 1146 O SER A 73 0.712 -16.622 0.947 1.00 0.00 O ATOM 1147 CB SER A 73 4.025 -17.310 0.641 1.00 0.00 C ATOM 1148 OG SER A 73 4.989 -17.988 -0.149 1.00 0.00 O ATOM 0 H SER A 73 1.868 -16.972 -1.147 1.00 0.00 H new ATOM 0 HA SER A 73 2.724 -19.011 0.806 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.966 -16.266 0.333 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.336 -17.317 1.686 1.00 0.00 H new ATOM 0 HG SER A 73 5.860 -17.550 -0.049 1.00 0.00 H new ATOM 1154 N LYS A 74 1.834 -17.431 2.723 1.00 0.00 N ATOM 1155 CA LYS A 74 0.961 -16.815 3.704 1.00 0.00 C ATOM 1156 C LYS A 74 1.667 -16.673 5.047 1.00 0.00 C ATOM 1157 O LYS A 74 1.589 -17.552 5.907 1.00 0.00 O ATOM 1158 CB LYS A 74 -0.348 -17.606 3.853 1.00 0.00 C ATOM 1159 CG LYS A 74 -0.179 -19.117 3.802 1.00 0.00 C ATOM 1160 CD LYS A 74 -1.514 -19.826 3.958 1.00 0.00 C ATOM 1161 CE LYS A 74 -1.423 -21.294 3.568 1.00 0.00 C ATOM 1162 NZ LYS A 74 -0.433 -22.040 4.389 1.00 0.00 N ATOM 0 H LYS A 74 2.592 -17.983 3.124 1.00 0.00 H new ATOM 0 HA LYS A 74 0.709 -15.816 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.815 -17.337 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.034 -17.302 3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.279 -19.402 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.500 -19.436 4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.850 -19.745 4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.263 -19.331 3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.404 -21.757 3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.149 -21.371 2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.457 -23.047 4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.519 -21.660 4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.668 -21.935 5.397 1.00 0.00 H new ATOM 1176 N ASP A 75 2.389 -15.573 5.202 1.00 0.00 N ATOM 1177 CA ASP A 75 3.062 -15.265 6.458 1.00 0.00 C ATOM 1178 C ASP A 75 2.825 -13.815 6.846 1.00 0.00 C ATOM 1179 O ASP A 75 2.880 -12.919 6.005 1.00 0.00 O ATOM 1180 CB ASP A 75 4.567 -15.537 6.373 1.00 0.00 C ATOM 1181 CG ASP A 75 5.316 -15.000 7.585 1.00 0.00 C ATOM 1182 OD1 ASP A 75 4.852 -15.214 8.724 1.00 0.00 O ATOM 1183 OD2 ASP A 75 6.362 -14.344 7.400 1.00 0.00 O ATOM 0 H ASP A 75 2.525 -14.875 4.471 1.00 0.00 H new ATOM 0 HA ASP A 75 2.641 -15.918 7.222 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.737 -16.610 6.289 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.967 -15.079 5.468 1.00 0.00 H new ATOM 1188 N ARG A 76 2.557 -13.594 8.120 1.00 0.00 N ATOM 1189 CA ARG A 76 2.295 -12.258 8.623 1.00 0.00 C ATOM 1190 C ARG A 76 3.520 -11.677 9.316 1.00 0.00 C ATOM 1191 O ARG A 76 3.612 -10.464 9.519 1.00 0.00 O ATOM 1192 CB ARG A 76 1.105 -12.272 9.579 1.00 0.00 C ATOM 1193 CG ARG A 76 1.245 -13.251 10.731 1.00 0.00 C ATOM 1194 CD ARG A 76 0.009 -13.235 11.614 1.00 0.00 C ATOM 1195 NE ARG A 76 0.086 -14.212 12.695 1.00 0.00 N ATOM 1196 CZ ARG A 76 -0.776 -14.274 13.709 1.00 0.00 C ATOM 1197 NH1 ARG A 76 -1.750 -13.376 13.817 1.00 0.00 N ATOM 1198 NH2 ARG A 76 -0.655 -15.227 14.621 1.00 0.00 N ATOM 0 H ARG A 76 2.515 -14.327 8.828 1.00 0.00 H new ATOM 0 HA ARG A 76 2.057 -11.622 7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.966 -11.269 9.984 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.204 -12.516 9.016 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.404 -14.256 10.341 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.123 -12.996 11.324 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.119 -12.239 12.037 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.872 -13.439 11.005 1.00 0.00 H new ATOM 0 HE ARG A 76 0.848 -14.890 12.673 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.840 -12.635 13.122 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.407 -13.428 14.595 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.097 -15.912 14.546 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.314 -15.276 15.398 1.00 0.00 H new ATOM 1212 N HIS A 77 4.472 -12.534 9.666 1.00 0.00 N ATOM 1213 CA HIS A 77 5.644 -12.086 10.401 1.00 0.00 C ATOM 1214 C HIS A 77 6.590 -11.323 9.484 1.00 0.00 C ATOM 1215 O HIS A 77 7.229 -10.361 9.908 1.00 0.00 O ATOM 1216 CB HIS A 77 6.362 -13.266 11.068 1.00 0.00 C ATOM 1217 CG HIS A 77 7.529 -12.854 11.917 1.00 0.00 C ATOM 1218 ND1 HIS A 77 7.445 -11.894 12.902 1.00 0.00 N ATOM 1219 CD2 HIS A 77 8.820 -13.265 11.909 1.00 0.00 C ATOM 1220 CE1 HIS A 77 8.629 -11.731 13.457 1.00 0.00 C ATOM 1221 NE2 HIS A 77 9.483 -12.550 12.876 1.00 0.00 N ATOM 0 H HIS A 77 4.455 -13.532 9.455 1.00 0.00 H new ATOM 0 HA HIS A 77 5.312 -11.411 11.190 1.00 0.00 H new ATOM 0 HB2 HIS A 77 5.649 -13.813 11.685 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.709 -13.953 10.296 1.00 0.00 H new ATOM 0 HD1 HIS A 77 6.598 -11.388 13.161 1.00 0.00 H new ATOM 0 HD2 HIS A 77 9.248 -14.016 11.262 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.861 -11.041 14.255 1.00 0.00 H new ATOM 1230 N LEU A 78 6.678 -11.749 8.231 1.00 0.00 N ATOM 1231 CA LEU A 78 7.465 -11.028 7.237 1.00 0.00 C ATOM 1232 C LEU A 78 6.928 -9.611 7.070 1.00 0.00 C ATOM 1233 O LEU A 78 7.693 -8.649 7.018 1.00 0.00 O ATOM 1234 CB LEU A 78 7.438 -11.764 5.894 1.00 0.00 C ATOM 1235 CG LEU A 78 8.274 -11.127 4.779 1.00 0.00 C ATOM 1236 CD1 LEU A 78 9.730 -10.991 5.205 1.00 0.00 C ATOM 1237 CD2 LEU A 78 8.171 -11.952 3.507 1.00 0.00 C ATOM 0 H LEU A 78 6.216 -12.587 7.879 1.00 0.00 H new ATOM 0 HA LEU A 78 8.497 -10.976 7.583 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.789 -12.784 6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.404 -11.831 5.556 1.00 0.00 H new ATOM 0 HG LEU A 78 7.881 -10.129 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.304 -10.536 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.792 -10.362 6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.137 -11.977 5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.770 -11.488 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.539 -12.960 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.130 -12.000 3.188 1.00 0.00 H new ATOM 1249 N ILE A 79 5.607 -9.494 7.013 1.00 0.00 N ATOM 1250 CA ILE A 79 4.955 -8.192 6.909 1.00 0.00 C ATOM 1251 C ILE A 79 5.287 -7.338 8.131 1.00 0.00 C ATOM 1252 O ILE A 79 5.688 -6.181 8.003 1.00 0.00 O ATOM 1253 CB ILE A 79 3.422 -8.342 6.791 1.00 0.00 C ATOM 1254 CG1 ILE A 79 3.071 -9.312 5.658 1.00 0.00 C ATOM 1255 CG2 ILE A 79 2.773 -6.985 6.551 1.00 0.00 C ATOM 1256 CD1 ILE A 79 1.594 -9.634 5.566 1.00 0.00 C ATOM 0 H ILE A 79 4.964 -10.286 7.037 1.00 0.00 H new ATOM 0 HA ILE A 79 5.327 -7.705 6.008 1.00 0.00 H new ATOM 0 HB ILE A 79 3.037 -8.747 7.727 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.400 -8.884 4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.627 -10.239 5.800 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.693 -7.107 6.470 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.001 -6.320 7.384 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.160 -6.555 5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.423 -10.326 4.741 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.263 -10.092 6.498 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.032 -8.717 5.392 1.00 0.00 H new ATOM 1268 N GLU A 80 5.139 -7.939 9.312 1.00 0.00 N ATOM 1269 CA GLU A 80 5.482 -7.284 10.574 1.00 0.00 C ATOM 1270 C GLU A 80 6.933 -6.800 10.558 1.00 0.00 C ATOM 1271 O GLU A 80 7.227 -5.662 10.932 1.00 0.00 O ATOM 1272 CB GLU A 80 5.261 -8.258 11.741 1.00 0.00 C ATOM 1273 CG GLU A 80 5.725 -7.728 13.091 1.00 0.00 C ATOM 1274 CD GLU A 80 5.504 -8.721 14.218 1.00 0.00 C ATOM 1275 OE1 GLU A 80 6.006 -9.865 14.121 1.00 0.00 O ATOM 1276 OE2 GLU A 80 4.830 -8.369 15.206 1.00 0.00 O ATOM 0 H GLU A 80 4.780 -8.888 9.420 1.00 0.00 H new ATOM 0 HA GLU A 80 4.835 -6.416 10.703 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.200 -8.499 11.803 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.787 -9.188 11.528 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.785 -7.479 13.034 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.192 -6.804 13.317 1.00 0.00 H new ATOM 1283 N THR A 81 7.830 -7.666 10.103 1.00 0.00 N ATOM 1284 CA THR A 81 9.247 -7.343 10.034 1.00 0.00 C ATOM 1285 C THR A 81 9.506 -6.229 9.018 1.00 0.00 C ATOM 1286 O THR A 81 10.327 -5.344 9.250 1.00 0.00 O ATOM 1287 CB THR A 81 10.080 -8.589 9.667 1.00 0.00 C ATOM 1288 OG1 THR A 81 9.731 -9.679 10.533 1.00 0.00 O ATOM 1289 CG2 THR A 81 11.570 -8.305 9.784 1.00 0.00 C ATOM 0 H THR A 81 7.598 -8.603 9.775 1.00 0.00 H new ATOM 0 HA THR A 81 9.553 -6.995 11.021 1.00 0.00 H new ATOM 0 HB THR A 81 9.859 -8.853 8.633 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.890 -10.081 10.230 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.133 -9.200 9.520 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.840 -7.494 9.108 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.806 -8.017 10.808 1.00 0.00 H new ATOM 1297 N THR A 82 8.788 -6.264 7.904 1.00 0.00 N ATOM 1298 CA THR A 82 8.954 -5.267 6.858 1.00 0.00 C ATOM 1299 C THR A 82 8.415 -3.909 7.313 1.00 0.00 C ATOM 1300 O THR A 82 9.000 -2.869 7.011 1.00 0.00 O ATOM 1301 CB THR A 82 8.260 -5.710 5.556 1.00 0.00 C ATOM 1302 OG1 THR A 82 8.713 -7.019 5.196 1.00 0.00 O ATOM 1303 CG2 THR A 82 8.568 -4.752 4.423 1.00 0.00 C ATOM 0 H THR A 82 8.084 -6.974 7.702 1.00 0.00 H new ATOM 0 HA THR A 82 10.021 -5.167 6.659 1.00 0.00 H new ATOM 0 HB THR A 82 7.183 -5.716 5.727 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.244 -7.688 5.737 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.066 -5.088 3.516 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.216 -3.754 4.684 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.644 -4.724 4.253 1.00 0.00 H new ATOM 1311 N SER A 83 7.312 -3.932 8.056 1.00 0.00 N ATOM 1312 CA SER A 83 6.752 -2.719 8.640 1.00 0.00 C ATOM 1313 C SER A 83 7.790 -2.066 9.550 1.00 0.00 C ATOM 1314 O SER A 83 8.057 -0.865 9.460 1.00 0.00 O ATOM 1315 CB SER A 83 5.480 -3.061 9.427 1.00 0.00 C ATOM 1316 OG SER A 83 4.864 -1.904 9.968 1.00 0.00 O ATOM 0 H SER A 83 6.788 -4.781 8.268 1.00 0.00 H new ATOM 0 HA SER A 83 6.489 -2.018 7.848 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.776 -3.575 8.773 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.727 -3.751 10.234 1.00 0.00 H new ATOM 0 HG SER A 83 4.126 -2.171 10.555 1.00 0.00 H new ATOM 1322 N ASN A 84 8.396 -2.884 10.405 1.00 0.00 N ATOM 1323 CA ASN A 84 9.456 -2.435 11.305 1.00 0.00 C ATOM 1324 C ASN A 84 10.669 -1.940 10.515 1.00 0.00 C ATOM 1325 O ASN A 84 11.316 -0.961 10.889 1.00 0.00 O ATOM 1326 CB ASN A 84 9.869 -3.594 12.221 1.00 0.00 C ATOM 1327 CG ASN A 84 10.989 -3.236 13.182 1.00 0.00 C ATOM 1328 OD1 ASN A 84 11.083 -2.109 13.666 1.00 0.00 O ATOM 1329 ND2 ASN A 84 11.847 -4.205 13.460 1.00 0.00 N ATOM 0 H ASN A 84 8.168 -3.874 10.494 1.00 0.00 H new ATOM 0 HA ASN A 84 9.079 -1.607 11.905 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.001 -3.922 12.793 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.183 -4.438 11.607 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.624 -4.031 14.098 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.732 -5.126 13.036 1.00 0.00 H new ATOM 1336 N LYS A 85 10.958 -2.618 9.409 1.00 0.00 N ATOM 1337 CA LYS A 85 12.124 -2.301 8.587 1.00 0.00 C ATOM 1338 C LYS A 85 12.036 -0.888 8.004 1.00 0.00 C ATOM 1339 O LYS A 85 12.998 -0.132 8.065 1.00 0.00 O ATOM 1340 CB LYS A 85 12.284 -3.344 7.476 1.00 0.00 C ATOM 1341 CG LYS A 85 13.477 -3.098 6.564 1.00 0.00 C ATOM 1342 CD LYS A 85 13.750 -4.287 5.649 1.00 0.00 C ATOM 1343 CE LYS A 85 12.514 -4.708 4.869 1.00 0.00 C ATOM 1344 NZ LYS A 85 12.837 -5.722 3.830 1.00 0.00 N ATOM 0 H LYS A 85 10.398 -3.395 9.059 1.00 0.00 H new ATOM 0 HA LYS A 85 13.007 -2.331 9.226 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.383 -4.330 7.929 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.376 -3.360 6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.294 -2.210 5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.361 -2.896 7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.548 -4.031 4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.105 -5.128 6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.772 -5.115 5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.066 -3.833 4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.828 -5.273 2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.780 -6.120 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.129 -6.483 3.856 1.00 0.00 H new ATOM 1358 N LEU A 86 10.885 -0.522 7.451 1.00 0.00 N ATOM 1359 CA LEU A 86 10.704 0.829 6.914 1.00 0.00 C ATOM 1360 C LEU A 86 10.713 1.838 8.043 1.00 0.00 C ATOM 1361 O LEU A 86 11.322 2.902 7.947 1.00 0.00 O ATOM 1362 CB LEU A 86 9.390 0.942 6.135 1.00 0.00 C ATOM 1363 CG LEU A 86 9.447 0.487 4.681 1.00 0.00 C ATOM 1364 CD1 LEU A 86 10.320 1.427 3.866 1.00 0.00 C ATOM 1365 CD2 LEU A 86 9.975 -0.928 4.606 1.00 0.00 C ATOM 0 H LEU A 86 10.071 -1.130 7.361 1.00 0.00 H new ATOM 0 HA LEU A 86 11.528 1.035 6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.630 0.355 6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.062 1.981 6.160 1.00 0.00 H new ATOM 0 HG LEU A 86 8.440 0.508 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.351 1.089 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.906 2.435 3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.330 1.433 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.013 -1.247 3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.977 -0.966 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.316 -1.592 5.165 1.00 0.00 H new ATOM 1377 N LYS A 87 10.049 1.460 9.117 1.00 0.00 N ATOM 1378 CA LYS A 87 9.916 2.286 10.302 1.00 0.00 C ATOM 1379 C LYS A 87 11.276 2.666 10.892 1.00 0.00 C ATOM 1380 O LYS A 87 11.528 3.835 11.187 1.00 0.00 O ATOM 1381 CB LYS A 87 9.085 1.509 11.322 1.00 0.00 C ATOM 1382 CG LYS A 87 8.914 2.196 12.663 1.00 0.00 C ATOM 1383 CD LYS A 87 8.128 3.490 12.548 1.00 0.00 C ATOM 1384 CE LYS A 87 7.809 4.060 13.921 1.00 0.00 C ATOM 1385 NZ LYS A 87 9.034 4.308 14.726 1.00 0.00 N ATOM 0 H LYS A 87 9.580 0.558 9.193 1.00 0.00 H new ATOM 0 HA LYS A 87 9.424 3.221 10.036 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.099 1.322 10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.552 0.538 11.485 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.404 1.523 13.352 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.895 2.405 13.090 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.701 4.217 11.973 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.202 3.310 12.002 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.257 4.993 13.806 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.158 3.369 14.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.780 4.819 15.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.476 3.400 14.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.704 4.879 14.172 1.00 0.00 H new ATOM 1399 N SER A 88 12.149 1.684 11.058 1.00 0.00 N ATOM 1400 CA SER A 88 13.421 1.906 11.731 1.00 0.00 C ATOM 1401 C SER A 88 14.554 2.237 10.752 1.00 0.00 C ATOM 1402 O SER A 88 15.395 3.089 11.038 1.00 0.00 O ATOM 1403 CB SER A 88 13.787 0.673 12.568 1.00 0.00 C ATOM 1404 OG SER A 88 14.964 0.896 13.330 1.00 0.00 O ATOM 0 H SER A 88 12.001 0.727 10.737 1.00 0.00 H new ATOM 0 HA SER A 88 13.300 2.773 12.381 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.961 0.426 13.235 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.934 -0.184 11.911 1.00 0.00 H new ATOM 0 HG SER A 88 15.171 0.094 13.854 1.00 0.00 H new ATOM 1410 N ARG A 89 14.577 1.581 9.595 1.00 0.00 N ATOM 1411 CA ARG A 89 15.728 1.679 8.699 1.00 0.00 C ATOM 1412 C ARG A 89 15.575 2.806 7.684 1.00 0.00 C ATOM 1413 O ARG A 89 16.575 3.360 7.227 1.00 0.00 O ATOM 1414 CB ARG A 89 15.956 0.357 7.962 1.00 0.00 C ATOM 1415 CG ARG A 89 16.078 -0.840 8.889 1.00 0.00 C ATOM 1416 CD ARG A 89 17.174 -0.636 9.919 1.00 0.00 C ATOM 1417 NE ARG A 89 18.493 -0.515 9.305 1.00 0.00 N ATOM 1418 CZ ARG A 89 19.631 -0.827 9.921 1.00 0.00 C ATOM 1419 NH1 ARG A 89 19.617 -1.229 11.188 1.00 0.00 N ATOM 1420 NH2 ARG A 89 20.778 -0.715 9.270 1.00 0.00 N ATOM 0 H ARG A 89 13.823 0.983 9.258 1.00 0.00 H new ATOM 0 HA ARG A 89 16.592 1.903 9.324 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.130 0.188 7.271 1.00 0.00 H new ATOM 0 HB3 ARG A 89 16.863 0.436 7.362 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.128 -1.008 9.396 1.00 0.00 H new ATOM 0 HG3 ARG A 89 16.289 -1.735 8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.962 0.262 10.500 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.175 -1.474 10.616 1.00 0.00 H new ATOM 0 HE ARG A 89 18.546 -0.171 8.346 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.732 -1.299 11.691 1.00 0.00 H new ATOM 0 HH12 ARG A 89 20.491 -1.467 11.657 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.786 -0.391 8.303 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.654 -0.952 9.736 1.00 0.00 H new ATOM 1434 N GLU A 90 14.330 3.135 7.336 1.00 0.00 N ATOM 1435 CA GLU A 90 14.050 4.154 6.320 1.00 0.00 C ATOM 1436 C GLU A 90 14.684 3.773 4.981 1.00 0.00 C ATOM 1437 O GLU A 90 15.377 4.576 4.358 1.00 0.00 O ATOM 1438 CB GLU A 90 14.569 5.523 6.763 1.00 0.00 C ATOM 1439 CG GLU A 90 13.971 6.022 8.064 1.00 0.00 C ATOM 1440 CD GLU A 90 14.612 7.314 8.523 1.00 0.00 C ATOM 1441 OE1 GLU A 90 14.222 8.387 8.020 1.00 0.00 O ATOM 1442 OE2 GLU A 90 15.529 7.258 9.372 1.00 0.00 O ATOM 0 H GLU A 90 13.497 2.710 7.743 1.00 0.00 H new ATOM 0 HA GLU A 90 12.968 4.210 6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.652 5.471 6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 90 14.361 6.250 5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 90 12.899 6.174 7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 90 14.095 5.262 8.835 1.00 0.00 H new ATOM 1449 N ILE A 91 14.443 2.542 4.547 1.00 0.00 N ATOM 1450 CA ILE A 91 15.000 2.054 3.288 1.00 0.00 C ATOM 1451 C ILE A 91 14.316 2.684 2.066 1.00 0.00 C ATOM 1452 O ILE A 91 14.682 3.777 1.632 1.00 0.00 O ATOM 1453 CB ILE A 91 14.925 0.515 3.188 1.00 0.00 C ATOM 1454 CG1 ILE A 91 13.630 -0.009 3.822 1.00 0.00 C ATOM 1455 CG2 ILE A 91 16.139 -0.116 3.853 1.00 0.00 C ATOM 1456 CD1 ILE A 91 13.290 -1.424 3.419 1.00 0.00 C ATOM 0 H ILE A 91 13.867 1.864 5.046 1.00 0.00 H new ATOM 0 HA ILE A 91 16.047 2.356 3.286 1.00 0.00 H new ATOM 0 HB ILE A 91 14.922 0.238 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 91 13.721 0.039 4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.806 0.648 3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 91 16.073 -1.201 3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 91 17.046 0.229 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 91 16.169 0.171 4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 91 12.363 -1.728 3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.166 -1.474 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.095 -2.093 3.724 1.00 0.00 H new ATOM 1468 N THR A 92 13.330 1.991 1.507 1.00 0.00 N ATOM 1469 CA THR A 92 12.612 2.473 0.335 1.00 0.00 C ATOM 1470 C THR A 92 11.219 1.836 0.273 1.00 0.00 C ATOM 1471 O THR A 92 11.050 0.660 0.610 1.00 0.00 O ATOM 1472 CB THR A 92 13.399 2.159 -0.958 1.00 0.00 C ATOM 1473 OG1 THR A 92 14.726 2.687 -0.856 1.00 0.00 O ATOM 1474 CG2 THR A 92 12.720 2.754 -2.182 1.00 0.00 C ATOM 0 H THR A 92 13.008 1.086 1.851 1.00 0.00 H new ATOM 0 HA THR A 92 12.506 3.555 0.417 1.00 0.00 H new ATOM 0 HB THR A 92 13.431 1.076 -1.074 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.222 2.485 -1.676 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.300 2.514 -3.073 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.717 2.339 -2.280 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.655 3.837 -2.072 1.00 0.00 H new ATOM 1482 N PHE A 93 10.232 2.617 -0.156 1.00 0.00 N ATOM 1483 CA PHE A 93 8.838 2.181 -0.140 1.00 0.00 C ATOM 1484 C PHE A 93 8.606 0.982 -1.062 1.00 0.00 C ATOM 1485 O PHE A 93 7.806 0.099 -0.754 1.00 0.00 O ATOM 1486 CB PHE A 93 7.929 3.343 -0.547 1.00 0.00 C ATOM 1487 CG PHE A 93 6.459 3.037 -0.452 1.00 0.00 C ATOM 1488 CD1 PHE A 93 5.873 2.766 0.774 1.00 0.00 C ATOM 1489 CD2 PHE A 93 5.663 3.032 -1.587 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.519 2.494 0.864 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.311 2.761 -1.502 1.00 0.00 C ATOM 1492 CZ PHE A 93 3.738 2.492 -0.276 1.00 0.00 C ATOM 0 H PHE A 93 10.372 3.559 -0.521 1.00 0.00 H new ATOM 0 HA PHE A 93 8.597 1.865 0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.152 4.203 0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.163 3.632 -1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.479 2.767 1.668 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.105 3.243 -2.550 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.073 2.283 1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.703 2.760 -2.395 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.681 2.280 -0.207 1.00 0.00 H new ATOM 1502 N GLN A 94 9.317 0.944 -2.184 1.00 0.00 N ATOM 1503 CA GLN A 94 9.153 -0.150 -3.137 1.00 0.00 C ATOM 1504 C GLN A 94 9.701 -1.456 -2.563 1.00 0.00 C ATOM 1505 O GLN A 94 9.217 -2.536 -2.897 1.00 0.00 O ATOM 1506 CB GLN A 94 9.815 0.180 -4.484 1.00 0.00 C ATOM 1507 CG GLN A 94 11.324 0.346 -4.429 1.00 0.00 C ATOM 1508 CD GLN A 94 12.050 -0.718 -5.229 1.00 0.00 C ATOM 1509 OE1 GLN A 94 11.590 -1.857 -5.340 1.00 0.00 O ATOM 1510 NE2 GLN A 94 13.181 -0.352 -5.810 1.00 0.00 N ATOM 0 H GLN A 94 10.004 1.648 -2.455 1.00 0.00 H new ATOM 0 HA GLN A 94 8.086 -0.279 -3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.576 -0.612 -5.194 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.376 1.099 -4.873 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.593 1.331 -4.811 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.654 0.305 -3.391 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.529 0.600 -5.694 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.705 -1.022 -6.373 1.00 0.00 H new ATOM 1519 N GLU A 95 10.683 -1.342 -1.674 1.00 0.00 N ATOM 1520 CA GLU A 95 11.261 -2.506 -1.008 1.00 0.00 C ATOM 1521 C GLU A 95 10.220 -3.112 -0.067 1.00 0.00 C ATOM 1522 O GLU A 95 10.059 -4.330 0.009 1.00 0.00 O ATOM 1523 CB GLU A 95 12.517 -2.093 -0.233 1.00 0.00 C ATOM 1524 CG GLU A 95 13.673 -3.082 -0.329 1.00 0.00 C ATOM 1525 CD GLU A 95 13.395 -4.413 0.346 1.00 0.00 C ATOM 1526 OE1 GLU A 95 13.456 -4.481 1.595 1.00 0.00 O ATOM 1527 OE2 GLU A 95 13.126 -5.398 -0.367 1.00 0.00 O ATOM 0 H GLU A 95 11.097 -0.452 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 95 11.548 -3.252 -1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.853 -1.124 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.254 -1.962 0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.902 -3.259 -1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.560 -2.635 0.120 1.00 0.00 H new ATOM 1534 N TYR A 96 9.498 -2.236 0.629 1.00 0.00 N ATOM 1535 CA TYR A 96 8.391 -2.649 1.488 1.00 0.00 C ATOM 1536 C TYR A 96 7.368 -3.451 0.682 1.00 0.00 C ATOM 1537 O TYR A 96 6.941 -4.533 1.090 1.00 0.00 O ATOM 1538 CB TYR A 96 7.726 -1.411 2.113 1.00 0.00 C ATOM 1539 CG TYR A 96 6.516 -1.709 2.979 1.00 0.00 C ATOM 1540 CD1 TYR A 96 6.660 -2.026 4.326 1.00 0.00 C ATOM 1541 CD2 TYR A 96 5.231 -1.665 2.454 1.00 0.00 C ATOM 1542 CE1 TYR A 96 5.560 -2.295 5.120 1.00 0.00 C ATOM 1543 CE2 TYR A 96 4.128 -1.931 3.243 1.00 0.00 C ATOM 1544 CZ TYR A 96 4.298 -2.245 4.573 1.00 0.00 C ATOM 1545 OH TYR A 96 3.199 -2.511 5.357 1.00 0.00 O ATOM 0 H TYR A 96 9.662 -1.229 0.614 1.00 0.00 H new ATOM 0 HA TYR A 96 8.778 -3.283 2.286 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.466 -0.884 2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.425 -0.734 1.313 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.649 -2.063 4.759 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.091 -1.419 1.412 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.691 -2.543 6.163 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.136 -1.893 2.818 1.00 0.00 H new ATOM 0 HH TYR A 96 3.387 -2.250 6.283 1.00 0.00 H new ATOM 1555 N ARG A 97 7.011 -2.919 -0.480 1.00 0.00 N ATOM 1556 CA ARG A 97 6.020 -3.541 -1.352 1.00 0.00 C ATOM 1557 C ARG A 97 6.467 -4.939 -1.791 1.00 0.00 C ATOM 1558 O ARG A 97 5.661 -5.867 -1.849 1.00 0.00 O ATOM 1559 CB ARG A 97 5.788 -2.657 -2.580 1.00 0.00 C ATOM 1560 CG ARG A 97 4.622 -3.098 -3.449 1.00 0.00 C ATOM 1561 CD ARG A 97 4.531 -2.271 -4.723 1.00 0.00 C ATOM 1562 NE ARG A 97 5.666 -2.518 -5.617 1.00 0.00 N ATOM 1563 CZ ARG A 97 5.728 -2.098 -6.885 1.00 0.00 C ATOM 1564 NH1 ARG A 97 4.778 -1.326 -7.388 1.00 0.00 N ATOM 1565 NH2 ARG A 97 6.762 -2.425 -7.647 1.00 0.00 N ATOM 0 H ARG A 97 7.398 -2.048 -0.844 1.00 0.00 H new ATOM 0 HA ARG A 97 5.089 -3.645 -0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.614 -1.633 -2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.695 -2.648 -3.185 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.736 -4.151 -3.705 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.693 -3.005 -2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.602 -2.506 -5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.494 -1.212 -4.467 1.00 0.00 H new ATOM 0 HE ARG A 97 6.459 -3.044 -5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.988 -1.045 -6.807 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.836 -1.012 -8.357 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.514 -2.999 -7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.805 -2.103 -8.614 1.00 0.00 H new ATOM 1579 N ARG A 98 7.758 -5.083 -2.082 1.00 0.00 N ATOM 1580 CA ARG A 98 8.308 -6.348 -2.573 1.00 0.00 C ATOM 1581 C ARG A 98 8.221 -7.442 -1.514 1.00 0.00 C ATOM 1582 O ARG A 98 7.916 -8.596 -1.819 1.00 0.00 O ATOM 1583 CB ARG A 98 9.762 -6.163 -3.006 1.00 0.00 C ATOM 1584 CG ARG A 98 9.927 -5.196 -4.163 1.00 0.00 C ATOM 1585 CD ARG A 98 11.387 -4.931 -4.468 1.00 0.00 C ATOM 1586 NE ARG A 98 12.074 -6.126 -4.951 1.00 0.00 N ATOM 1587 CZ ARG A 98 12.976 -6.110 -5.928 1.00 0.00 C ATOM 1588 NH1 ARG A 98 13.284 -4.969 -6.531 1.00 0.00 N ATOM 1589 NH2 ARG A 98 13.566 -7.233 -6.311 1.00 0.00 N ATOM 0 H ARG A 98 8.447 -4.337 -1.986 1.00 0.00 H new ATOM 0 HA ARG A 98 7.711 -6.656 -3.432 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.344 -5.805 -2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.175 -7.131 -3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.438 -5.602 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.428 -4.256 -3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.463 -4.142 -5.217 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.884 -4.566 -3.569 1.00 0.00 H new ATOM 0 HE ARG A 98 11.850 -7.021 -4.516 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.829 -4.102 -6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.976 -4.959 -7.280 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.329 -8.115 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.257 -7.216 -7.061 1.00 0.00 H new ATOM 1603 N ASN A 99 8.481 -7.071 -0.270 1.00 0.00 N ATOM 1604 CA ASN A 99 8.462 -8.030 0.830 1.00 0.00 C ATOM 1605 C ASN A 99 7.051 -8.524 1.101 1.00 0.00 C ATOM 1606 O ASN A 99 6.853 -9.669 1.500 1.00 0.00 O ATOM 1607 CB ASN A 99 9.067 -7.415 2.089 1.00 0.00 C ATOM 1608 CG ASN A 99 10.582 -7.414 2.055 1.00 0.00 C ATOM 1609 OD1 ASN A 99 11.231 -8.322 2.576 1.00 0.00 O ATOM 1610 ND2 ASN A 99 11.160 -6.401 1.434 1.00 0.00 N ATOM 0 H ASN A 99 8.708 -6.115 0.006 1.00 0.00 H new ATOM 0 HA ASN A 99 9.068 -8.888 0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.707 -6.392 2.201 1.00 0.00 H new ATOM 0 HB3 ASN A 99 8.725 -7.970 2.963 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.177 -6.353 1.374 1.00 0.00 H new ATOM 0 HD22 ASN A 99 10.589 -5.667 1.014 1.00 0.00 H new ATOM 1617 N LEU A 100 6.067 -7.666 0.871 1.00 0.00 N ATOM 1618 CA LEU A 100 4.675 -8.069 1.010 1.00 0.00 C ATOM 1619 C LEU A 100 4.299 -9.076 -0.075 1.00 0.00 C ATOM 1620 O LEU A 100 3.608 -10.058 0.192 1.00 0.00 O ATOM 1621 CB LEU A 100 3.749 -6.851 0.961 1.00 0.00 C ATOM 1622 CG LEU A 100 3.458 -6.187 2.314 1.00 0.00 C ATOM 1623 CD1 LEU A 100 4.743 -5.785 3.016 1.00 0.00 C ATOM 1624 CD2 LEU A 100 2.563 -4.973 2.123 1.00 0.00 C ATOM 0 H LEU A 100 6.204 -6.695 0.590 1.00 0.00 H new ATOM 0 HA LEU A 100 4.553 -8.548 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.191 -6.107 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.802 -7.154 0.514 1.00 0.00 H new ATOM 0 HG LEU A 100 2.943 -6.914 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.505 -5.317 3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.356 -6.670 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.292 -5.079 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.364 -4.512 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.060 -4.253 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.622 -5.283 1.669 1.00 0.00 H new ATOM 1636 N ALA A 101 4.775 -8.840 -1.293 1.00 0.00 N ATOM 1637 CA ALA A 101 4.543 -9.770 -2.395 1.00 0.00 C ATOM 1638 C ALA A 101 5.202 -11.115 -2.100 1.00 0.00 C ATOM 1639 O ALA A 101 4.672 -12.175 -2.442 1.00 0.00 O ATOM 1640 CB ALA A 101 5.071 -9.191 -3.698 1.00 0.00 C ATOM 0 H ALA A 101 5.322 -8.016 -1.543 1.00 0.00 H new ATOM 0 HA ALA A 101 3.469 -9.926 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.890 -9.896 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.560 -8.252 -3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.142 -9.009 -3.608 1.00 0.00 H new ATOM 1646 N LYS A 102 6.357 -11.052 -1.448 1.00 0.00 N ATOM 1647 CA LYS A 102 7.084 -12.241 -1.023 1.00 0.00 C ATOM 1648 C LYS A 102 6.283 -13.016 0.024 1.00 0.00 C ATOM 1649 O LYS A 102 6.354 -14.244 0.095 1.00 0.00 O ATOM 1650 CB LYS A 102 8.441 -11.829 -0.447 1.00 0.00 C ATOM 1651 CG LYS A 102 9.348 -12.991 -0.082 1.00 0.00 C ATOM 1652 CD LYS A 102 10.524 -12.516 0.754 1.00 0.00 C ATOM 1653 CE LYS A 102 11.493 -13.644 1.066 1.00 0.00 C ATOM 1654 NZ LYS A 102 12.515 -13.232 2.063 1.00 0.00 N ATOM 0 H LYS A 102 6.815 -10.175 -1.199 1.00 0.00 H new ATOM 0 HA LYS A 102 7.237 -12.890 -1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.954 -11.198 -1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.275 -11.221 0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.782 -13.740 0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.712 -13.473 -0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.050 -11.723 0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.156 -12.086 1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.941 -14.504 1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.988 -13.963 0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.158 -14.028 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.059 -12.428 1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.044 -12.952 2.947 1.00 0.00 H new ATOM 1668 N ALA A 103 5.517 -12.288 0.828 1.00 0.00 N ATOM 1669 CA ALA A 103 4.712 -12.892 1.882 1.00 0.00 C ATOM 1670 C ALA A 103 3.425 -13.481 1.320 1.00 0.00 C ATOM 1671 O ALA A 103 2.740 -14.252 1.991 1.00 0.00 O ATOM 1672 CB ALA A 103 4.396 -11.864 2.957 1.00 0.00 C ATOM 0 H ALA A 103 5.437 -11.273 0.769 1.00 0.00 H new ATOM 0 HA ALA A 103 5.289 -13.703 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.794 -12.328 3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.325 -11.491 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.842 -11.035 2.516 1.00 0.00 H new ATOM 1678 N GLY A 104 3.102 -13.111 0.087 1.00 0.00 N ATOM 1679 CA GLY A 104 1.912 -13.632 -0.554 1.00 0.00 C ATOM 1680 C GLY A 104 0.774 -12.633 -0.566 1.00 0.00 C ATOM 1681 O GLY A 104 -0.361 -12.981 -0.891 1.00 0.00 O ATOM 0 H GLY A 104 3.644 -12.459 -0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.151 -13.918 -1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.591 -14.537 -0.037 1.00 0.00 H new ATOM 1685 N VAL A 105 1.075 -11.390 -0.218 1.00 0.00 N ATOM 1686 CA VAL A 105 0.065 -10.341 -0.175 1.00 0.00 C ATOM 1687 C VAL A 105 -0.278 -9.868 -1.580 1.00 0.00 C ATOM 1688 O VAL A 105 0.593 -9.438 -2.337 1.00 0.00 O ATOM 1689 CB VAL A 105 0.530 -9.133 0.670 1.00 0.00 C ATOM 1690 CG1 VAL A 105 -0.527 -8.036 0.687 1.00 0.00 C ATOM 1691 CG2 VAL A 105 0.876 -9.572 2.087 1.00 0.00 C ATOM 0 H VAL A 105 2.013 -11.082 0.039 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.821 -10.770 0.293 1.00 0.00 H new ATOM 0 HB VAL A 105 1.428 -8.724 0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.173 -7.199 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.716 -7.697 -0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.450 -8.427 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.201 -8.708 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.003 -10.013 2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.678 -10.309 2.054 1.00 0.00 H new ATOM 1701 N PHE A 106 -1.551 -9.967 -1.927 1.00 0.00 N ATOM 1702 CA PHE A 106 -2.026 -9.504 -3.218 1.00 0.00 C ATOM 1703 C PHE A 106 -3.110 -8.445 -3.031 1.00 0.00 C ATOM 1704 O PHE A 106 -3.319 -7.594 -3.895 1.00 0.00 O ATOM 1705 CB PHE A 106 -2.551 -10.677 -4.051 1.00 0.00 C ATOM 1706 CG PHE A 106 -2.972 -10.288 -5.441 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -2.103 -9.602 -6.274 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -4.233 -10.607 -5.913 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -2.485 -9.241 -7.552 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -4.620 -10.249 -7.192 1.00 0.00 C ATOM 1711 CZ PHE A 106 -3.745 -9.564 -8.011 1.00 0.00 C ATOM 0 H PHE A 106 -2.275 -10.366 -1.329 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.192 -9.054 -3.756 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -1.776 -11.441 -4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -3.400 -11.126 -3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -1.115 -9.346 -5.920 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.922 -11.141 -5.276 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -1.798 -8.706 -8.191 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.606 -10.505 -7.550 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.046 -9.282 -9.009 1.00 0.00 H new ATOM 1721 N ARG A 107 -3.791 -8.500 -1.894 1.00 0.00 N ATOM 1722 CA ARG A 107 -4.794 -7.502 -1.559 1.00 0.00 C ATOM 1723 C ARG A 107 -4.247 -6.537 -0.519 1.00 0.00 C ATOM 1724 O ARG A 107 -4.353 -6.782 0.685 1.00 0.00 O ATOM 1725 CB ARG A 107 -6.071 -8.149 -1.013 1.00 0.00 C ATOM 1726 CG ARG A 107 -7.210 -8.303 -2.009 1.00 0.00 C ATOM 1727 CD ARG A 107 -6.927 -9.369 -3.053 1.00 0.00 C ATOM 1728 NE ARG A 107 -8.166 -9.930 -3.594 1.00 0.00 N ATOM 1729 CZ ARG A 107 -8.347 -10.266 -4.870 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -7.389 -10.059 -5.760 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -9.493 -10.806 -5.258 1.00 0.00 N ATOM 0 H ARG A 107 -3.666 -9.226 -1.189 1.00 0.00 H new ATOM 0 HA ARG A 107 -5.039 -6.965 -2.476 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.819 -9.135 -0.623 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.427 -7.554 -0.172 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.125 -8.557 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.386 -7.349 -2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.336 -8.940 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.329 -10.165 -2.609 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.944 -10.073 -2.950 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.505 -9.640 -5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.534 -10.319 -6.736 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.238 -10.965 -4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.631 -11.063 -6.235 1.00 0.00 H new ATOM 1745 N TRP A 108 -3.634 -5.463 -0.981 1.00 0.00 N ATOM 1746 CA TRP A 108 -3.175 -4.411 -0.090 1.00 0.00 C ATOM 1747 C TRP A 108 -4.307 -3.405 0.100 1.00 0.00 C ATOM 1748 O TRP A 108 -4.372 -2.387 -0.585 1.00 0.00 O ATOM 1749 CB TRP A 108 -1.922 -3.742 -0.672 1.00 0.00 C ATOM 1750 CG TRP A 108 -1.278 -2.696 0.199 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -1.840 -2.005 1.235 1.00 0.00 C ATOM 1752 CD2 TRP A 108 0.064 -2.212 0.084 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -0.933 -1.123 1.764 1.00 0.00 N ATOM 1754 CE2 TRP A 108 0.245 -1.234 1.078 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.133 -2.519 -0.762 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 1.447 -0.552 1.243 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 2.328 -1.843 -0.596 1.00 0.00 C ATOM 1758 CH2 TRP A 108 2.476 -0.872 0.401 1.00 0.00 C ATOM 0 H TRP A 108 -3.442 -5.295 -1.969 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.905 -4.826 0.881 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -1.185 -4.516 -0.885 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -2.186 -3.283 -1.625 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.853 -2.135 1.587 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.108 -0.488 2.542 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.028 -3.270 -1.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 1.563 0.202 2.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.160 -2.068 -1.246 1.00 0.00 H new ATOM 0 HH2 TRP A 108 3.423 -0.364 0.508 1.00 0.00 H new ATOM 1769 N VAL A 109 -5.219 -3.716 1.004 1.00 0.00 N ATOM 1770 CA VAL A 109 -6.385 -2.879 1.218 1.00 0.00 C ATOM 1771 C VAL A 109 -6.150 -1.929 2.381 1.00 0.00 C ATOM 1772 O VAL A 109 -6.305 -2.300 3.544 1.00 0.00 O ATOM 1773 CB VAL A 109 -7.653 -3.720 1.493 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -8.893 -2.839 1.494 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -7.794 -4.839 0.471 1.00 0.00 C ATOM 0 H VAL A 109 -5.174 -4.542 1.601 1.00 0.00 H new ATOM 0 HA VAL A 109 -6.544 -2.309 0.303 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.551 -4.171 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.774 -3.451 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.799 -2.080 2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.996 -2.354 0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.693 -5.416 0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.867 -4.411 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.923 -5.492 0.524 1.00 0.00 H new ATOM 1785 N THR A 110 -5.750 -0.710 2.068 1.00 0.00 N ATOM 1786 CA THR A 110 -5.554 0.297 3.093 1.00 0.00 C ATOM 1787 C THR A 110 -6.842 1.074 3.321 1.00 0.00 C ATOM 1788 O THR A 110 -7.222 1.923 2.511 1.00 0.00 O ATOM 1789 CB THR A 110 -4.419 1.268 2.723 1.00 0.00 C ATOM 1790 OG1 THR A 110 -3.196 0.541 2.565 1.00 0.00 O ATOM 1791 CG2 THR A 110 -4.241 2.342 3.793 1.00 0.00 C ATOM 0 H THR A 110 -5.556 -0.395 1.118 1.00 0.00 H new ATOM 0 HA THR A 110 -5.273 -0.218 4.011 1.00 0.00 H new ATOM 0 HB THR A 110 -4.682 1.759 1.786 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.313 -0.150 1.880 1.00 0.00 H new ATOM 0 HG21 THR A 110 -3.432 3.013 3.504 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.165 2.911 3.895 1.00 0.00 H new ATOM 0 HG23 THR A 110 -3.998 1.870 4.745 1.00 0.00 H new ATOM 1799 N ASN A 111 -7.522 0.747 4.408 1.00 0.00 N ATOM 1800 CA ASN A 111 -8.760 1.412 4.770 1.00 0.00 C ATOM 1801 C ASN A 111 -8.472 2.632 5.632 1.00 0.00 C ATOM 1802 O ASN A 111 -7.995 2.516 6.761 1.00 0.00 O ATOM 1803 CB ASN A 111 -9.694 0.450 5.506 1.00 0.00 C ATOM 1804 CG ASN A 111 -10.418 -0.503 4.573 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -9.904 -1.564 4.224 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -11.636 -0.149 4.197 1.00 0.00 N ATOM 0 H ASN A 111 -7.233 0.018 5.060 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.255 1.739 3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -9.117 -0.126 6.229 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.428 1.025 6.070 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.184 -0.765 3.596 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -12.028 0.740 4.508 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.764 3.798 5.083 1.00 0.00 N ATOM 1814 CA ILE A 112 -8.498 5.061 5.752 1.00 0.00 C ATOM 1815 C ILE A 112 -9.532 5.327 6.833 1.00 0.00 C ATOM 1816 O ILE A 112 -9.187 5.681 7.957 1.00 0.00 O ATOM 1817 CB ILE A 112 -8.486 6.226 4.739 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -7.285 6.099 3.794 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -8.478 7.574 5.446 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -5.941 6.156 4.489 1.00 0.00 C ATOM 0 H ILE A 112 -9.192 3.897 4.162 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.515 4.991 6.217 1.00 0.00 H new ATOM 0 HB ILE A 112 -9.400 6.170 4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -7.362 5.157 3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -7.333 6.898 3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.470 8.373 4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.369 7.664 6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.590 7.651 6.073 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.145 6.059 3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.840 7.109 5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.869 5.341 5.209 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.798 5.138 6.494 1.00 0.00 N ATOM 1833 CA HIS A 113 -11.879 5.343 7.450 1.00 0.00 C ATOM 1834 C HIS A 113 -11.765 4.346 8.601 1.00 0.00 C ATOM 1835 O HIS A 113 -12.101 4.654 9.744 1.00 0.00 O ATOM 1836 CB HIS A 113 -13.239 5.205 6.755 1.00 0.00 C ATOM 1837 CG HIS A 113 -14.405 5.431 7.668 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -15.139 4.561 8.399 1.00 0.00 N flip ATOM 1839 CD2 HIS A 113 -14.933 6.676 7.922 1.00 0.00 C flip ATOM 1840 CE1 HIS A 113 -16.085 5.287 9.073 1.00 0.00 C flip ATOM 1841 NE2 HIS A 113 -15.936 6.561 8.768 1.00 0.00 N flip ATOM 0 H HIS A 113 -11.103 4.844 5.566 1.00 0.00 H new ATOM 0 HA HIS A 113 -11.798 6.352 7.856 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -13.290 5.917 5.931 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -13.316 4.208 6.321 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -15.011 3.550 8.441 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -14.580 7.603 7.494 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -16.829 4.883 9.743 1.00 0.00 H new ATOM 1850 N GLU A 114 -11.278 3.157 8.286 1.00 0.00 N ATOM 1851 CA GLU A 114 -11.135 2.091 9.268 1.00 0.00 C ATOM 1852 C GLU A 114 -9.804 2.210 10.008 1.00 0.00 C ATOM 1853 O GLU A 114 -9.587 1.544 11.023 1.00 0.00 O ATOM 1854 CB GLU A 114 -11.235 0.721 8.585 1.00 0.00 C ATOM 1855 CG GLU A 114 -12.613 0.391 8.011 1.00 0.00 C ATOM 1856 CD GLU A 114 -13.135 1.424 7.024 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -12.452 1.707 6.015 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -14.227 1.972 7.263 1.00 0.00 O ATOM 0 H GLU A 114 -10.971 2.903 7.347 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.943 2.186 9.993 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.501 0.677 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.963 -0.050 9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -12.566 -0.579 7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.324 0.296 8.832 1.00 0.00 H new ATOM 1865 N GLN A 115 -8.919 3.058 9.479 1.00 0.00 N ATOM 1866 CA GLN A 115 -7.618 3.342 10.093 1.00 0.00 C ATOM 1867 C GLN A 115 -6.736 2.093 10.151 1.00 0.00 C ATOM 1868 O GLN A 115 -5.882 1.965 11.030 1.00 0.00 O ATOM 1869 CB GLN A 115 -7.802 3.916 11.503 1.00 0.00 C ATOM 1870 CG GLN A 115 -8.631 5.192 11.543 1.00 0.00 C ATOM 1871 CD GLN A 115 -7.949 6.374 10.879 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -6.722 6.492 10.877 1.00 0.00 O ATOM 1873 NE2 GLN A 115 -8.742 7.255 10.291 1.00 0.00 N ATOM 0 H GLN A 115 -9.084 3.568 8.611 1.00 0.00 H new ATOM 0 HA GLN A 115 -7.117 4.081 9.467 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -8.279 3.164 12.132 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -6.821 4.117 11.934 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -9.587 5.011 11.052 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -8.848 5.443 12.581 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -9.753 7.125 10.313 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -8.342 8.064 9.816 1.00 0.00 H new ATOM 1882 N LYS A 116 -6.906 1.193 9.193 1.00 0.00 N ATOM 1883 CA LYS A 116 -6.145 -0.053 9.184 1.00 0.00 C ATOM 1884 C LYS A 116 -5.787 -0.492 7.768 1.00 0.00 C ATOM 1885 O LYS A 116 -6.576 -0.345 6.837 1.00 0.00 O ATOM 1886 CB LYS A 116 -6.928 -1.170 9.881 1.00 0.00 C ATOM 1887 CG LYS A 116 -6.939 -1.059 11.397 1.00 0.00 C ATOM 1888 CD LYS A 116 -7.786 -2.149 12.029 1.00 0.00 C ATOM 1889 CE LYS A 116 -7.659 -2.142 13.543 1.00 0.00 C ATOM 1890 NZ LYS A 116 -7.962 -0.806 14.120 1.00 0.00 N ATOM 0 H LYS A 116 -7.559 1.299 8.416 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.219 0.137 9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -7.956 -1.161 9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.499 -2.132 9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -5.919 -1.125 11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.325 -0.082 11.688 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -8.830 -2.009 11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -7.480 -3.121 11.641 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -8.337 -2.883 13.967 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -6.648 -2.438 13.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -8.081 -0.891 15.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -7.179 -0.153 13.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -8.839 -0.437 13.700 1.00 0.00 H new ATOM 1904 N ARG A 117 -4.585 -1.027 7.626 1.00 0.00 N ATOM 1905 CA ARG A 117 -4.143 -1.614 6.372 1.00 0.00 C ATOM 1906 C ARG A 117 -4.316 -3.126 6.432 1.00 0.00 C ATOM 1907 O ARG A 117 -3.596 -3.809 7.158 1.00 0.00 O ATOM 1908 CB ARG A 117 -2.678 -1.269 6.110 1.00 0.00 C ATOM 1909 CG ARG A 117 -2.442 0.197 5.804 1.00 0.00 C ATOM 1910 CD ARG A 117 -0.969 0.556 5.899 1.00 0.00 C ATOM 1911 NE ARG A 117 -0.508 0.602 7.288 1.00 0.00 N ATOM 1912 CZ ARG A 117 0.736 0.917 7.649 1.00 0.00 C ATOM 1913 NH1 ARG A 117 1.673 1.102 6.727 1.00 0.00 N ATOM 1914 NH2 ARG A 117 1.045 1.032 8.936 1.00 0.00 N ATOM 0 H ARG A 117 -3.892 -1.067 8.373 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.746 -1.210 5.559 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -2.087 -1.549 6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.317 -1.868 5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.809 0.424 4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -3.013 0.811 6.500 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.380 -0.175 5.345 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.800 1.524 5.428 1.00 0.00 H new ATOM 0 HE ARG A 117 -1.179 0.380 8.023 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.442 1.003 5.738 1.00 0.00 H new ATOM 0 HH12 ARG A 117 2.624 1.343 7.007 1.00 0.00 H new ATOM 0 HH21 ARG A 117 0.330 0.879 9.648 1.00 0.00 H new ATOM 0 HH22 ARG A 117 1.997 1.273 9.212 1.00 0.00 H new ATOM 1928 N TYR A 118 -5.279 -3.639 5.690 1.00 0.00 N ATOM 1929 CA TYR A 118 -5.572 -5.063 5.700 1.00 0.00 C ATOM 1930 C TYR A 118 -4.843 -5.757 4.556 1.00 0.00 C ATOM 1931 O TYR A 118 -5.127 -5.500 3.386 1.00 0.00 O ATOM 1932 CB TYR A 118 -7.079 -5.297 5.569 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.908 -4.635 6.648 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -8.180 -5.285 7.846 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -8.430 -3.364 6.464 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -8.951 -4.685 8.828 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -9.198 -2.753 7.439 1.00 0.00 C ATOM 1938 CZ TYR A 118 -9.456 -3.417 8.618 1.00 0.00 C ATOM 1939 OH TYR A 118 -10.229 -2.811 9.590 1.00 0.00 O ATOM 0 H TYR A 118 -5.875 -3.090 5.070 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.230 -5.480 6.647 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -7.409 -4.930 4.597 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -7.271 -6.370 5.586 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.783 -6.275 8.014 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -8.233 -2.840 5.540 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -9.156 -5.205 9.752 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.593 -1.761 7.277 1.00 0.00 H new ATOM 0 HH TYR A 118 -10.128 -3.294 10.437 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.896 -6.619 4.894 1.00 0.00 N ATOM 1950 CA TYR A 119 -3.112 -7.317 3.885 1.00 0.00 C ATOM 1951 C TYR A 119 -3.638 -8.730 3.683 1.00 0.00 C ATOM 1952 O TYR A 119 -3.447 -9.606 4.534 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.635 -7.357 4.284 1.00 0.00 C ATOM 1954 CG TYR A 119 -1.056 -5.995 4.592 1.00 0.00 C ATOM 1955 CD1 TYR A 119 -0.828 -5.070 3.581 1.00 0.00 C ATOM 1956 CD2 TYR A 119 -0.747 -5.631 5.897 1.00 0.00 C ATOM 1957 CE1 TYR A 119 -0.305 -3.823 3.864 1.00 0.00 C ATOM 1958 CE2 TYR A 119 -0.228 -4.384 6.186 1.00 0.00 C ATOM 1959 CZ TYR A 119 -0.007 -3.485 5.164 1.00 0.00 C ATOM 1960 OH TYR A 119 0.505 -2.240 5.445 1.00 0.00 O ATOM 0 H TYR A 119 -3.652 -6.852 5.857 1.00 0.00 H new ATOM 0 HA TYR A 119 -3.205 -6.773 2.945 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.520 -7.998 5.158 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -1.061 -7.813 3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -1.063 -5.329 2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -0.915 -6.335 6.699 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -0.131 -3.115 3.067 1.00 0.00 H new ATOM 0 HE2 TYR A 119 0.003 -4.115 7.206 1.00 0.00 H new ATOM 0 HH TYR A 119 1.484 -2.281 5.444 1.00 0.00 H new ATOM 1970 N TYR A 120 -4.326 -8.938 2.570 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.860 -10.247 2.235 1.00 0.00 C ATOM 1972 C TYR A 120 -4.004 -10.905 1.163 1.00 0.00 C ATOM 1973 O TYR A 120 -3.436 -10.225 0.306 1.00 0.00 O ATOM 1974 CB TYR A 120 -6.295 -10.142 1.708 1.00 0.00 C ATOM 1975 CG TYR A 120 -7.275 -9.457 2.636 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -7.981 -10.179 3.584 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -7.508 -8.090 2.545 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -8.892 -9.561 4.420 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -8.414 -7.465 3.380 1.00 0.00 C ATOM 1980 CZ TYR A 120 -9.103 -8.205 4.312 1.00 0.00 C ATOM 1981 OH TYR A 120 -10.012 -7.587 5.143 1.00 0.00 O ATOM 0 H TYR A 120 -4.527 -8.213 1.882 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.853 -10.845 3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -6.278 -9.602 0.761 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.661 -11.146 1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -7.817 -11.243 3.672 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -6.973 -7.507 1.810 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -9.435 -10.139 5.154 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -8.580 -6.401 3.301 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.042 -6.629 4.940 1.00 0.00 H new ATOM 1991 N THR A 121 -3.918 -12.219 1.208 1.00 0.00 N ATOM 1992 CA THR A 121 -3.275 -12.970 0.147 1.00 0.00 C ATOM 1993 C THR A 121 -4.220 -13.046 -1.059 1.00 0.00 C ATOM 1994 O THR A 121 -5.334 -12.516 -1.008 1.00 0.00 O ATOM 1995 CB THR A 121 -2.877 -14.388 0.632 1.00 0.00 C ATOM 1996 OG1 THR A 121 -2.220 -15.119 -0.412 1.00 0.00 O ATOM 1997 CG2 THR A 121 -4.096 -15.161 1.117 1.00 0.00 C ATOM 0 H THR A 121 -4.286 -12.790 1.969 1.00 0.00 H new ATOM 0 HA THR A 121 -2.358 -12.460 -0.148 1.00 0.00 H new ATOM 0 HB THR A 121 -2.185 -14.269 1.466 1.00 0.00 H new ATOM 0 HG1 THR A 121 -1.489 -14.579 -0.779 1.00 0.00 H new ATOM 0 HG21 THR A 121 -3.789 -16.152 1.451 1.00 0.00 H new ATOM 0 HG22 THR A 121 -4.560 -14.626 1.946 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.813 -15.259 0.302 1.00 0.00 H new ATOM 2005 N PHE A 122 -3.791 -13.697 -2.133 1.00 0.00 N ATOM 2006 CA PHE A 122 -4.620 -13.822 -3.332 1.00 0.00 C ATOM 2007 C PHE A 122 -5.838 -14.702 -3.054 1.00 0.00 C ATOM 2008 O PHE A 122 -6.812 -14.694 -3.803 1.00 0.00 O ATOM 2009 CB PHE A 122 -3.807 -14.384 -4.508 1.00 0.00 C ATOM 2010 CG PHE A 122 -3.153 -15.711 -4.229 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -1.877 -15.767 -3.688 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -3.810 -16.899 -4.511 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -1.271 -16.982 -3.432 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -3.208 -18.117 -4.257 1.00 0.00 C ATOM 2015 CZ PHE A 122 -1.937 -18.157 -3.716 1.00 0.00 C ATOM 0 H PHE A 122 -2.878 -14.146 -2.202 1.00 0.00 H new ATOM 0 HA PHE A 122 -4.968 -12.826 -3.606 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.464 -14.490 -5.371 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.037 -13.662 -4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -1.351 -14.851 -3.464 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.803 -16.872 -4.934 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.277 -17.012 -3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -3.730 -19.036 -4.481 1.00 0.00 H new ATOM 0 HZ PHE A 122 -1.465 -19.107 -3.515 1.00 0.00 H new ATOM 2025 N ASP A 123 -5.765 -15.448 -1.959 1.00 0.00 N ATOM 2026 CA ASP A 123 -6.872 -16.287 -1.505 1.00 0.00 C ATOM 2027 C ASP A 123 -7.873 -15.457 -0.692 1.00 0.00 C ATOM 2028 O ASP A 123 -8.901 -15.958 -0.233 1.00 0.00 O ATOM 2029 CB ASP A 123 -6.317 -17.446 -0.666 1.00 0.00 C ATOM 2030 CG ASP A 123 -7.386 -18.390 -0.159 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -7.929 -19.173 -0.968 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -7.680 -18.360 1.053 1.00 0.00 O ATOM 0 H ASP A 123 -4.940 -15.490 -1.361 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.398 -16.693 -2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -5.602 -18.008 -1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.770 -17.039 0.184 1.00 0.00 H new ATOM 2037 N ASN A 124 -7.556 -14.173 -0.532 1.00 0.00 N ATOM 2038 CA ASN A 124 -8.397 -13.219 0.202 1.00 0.00 C ATOM 2039 C ASN A 124 -8.405 -13.514 1.698 1.00 0.00 C ATOM 2040 O ASN A 124 -9.260 -13.022 2.434 1.00 0.00 O ATOM 2041 CB ASN A 124 -9.833 -13.190 -0.340 1.00 0.00 C ATOM 2042 CG ASN A 124 -9.911 -12.684 -1.769 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -9.995 -11.477 -2.012 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -9.900 -13.601 -2.723 1.00 0.00 N ATOM 0 H ASN A 124 -6.703 -13.759 -0.909 1.00 0.00 H new ATOM 0 HA ASN A 124 -7.957 -12.234 0.049 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -10.256 -14.194 -0.291 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -10.445 -12.555 0.300 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -9.962 -13.320 -3.701 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -9.829 -14.589 -2.480 1.00 0.00 H new ATOM 2051 N SER A 125 -7.445 -14.306 2.144 1.00 0.00 N ATOM 2052 CA SER A 125 -7.280 -14.571 3.562 1.00 0.00 C ATOM 2053 C SER A 125 -6.459 -13.458 4.206 1.00 0.00 C ATOM 2054 O SER A 125 -5.426 -13.048 3.667 1.00 0.00 O ATOM 2055 CB SER A 125 -6.608 -15.929 3.772 1.00 0.00 C ATOM 2056 OG SER A 125 -7.443 -16.987 3.327 1.00 0.00 O ATOM 0 H SER A 125 -6.768 -14.777 1.544 1.00 0.00 H new ATOM 0 HA SER A 125 -8.261 -14.599 4.036 1.00 0.00 H new ATOM 0 HB2 SER A 125 -5.661 -15.957 3.232 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.377 -16.064 4.829 1.00 0.00 H new ATOM 0 HG SER A 125 -7.214 -17.217 2.402 1.00 0.00 H new ATOM 2062 N LEU A 126 -6.937 -12.959 5.337 1.00 0.00 N ATOM 2063 CA LEU A 126 -6.260 -11.883 6.046 1.00 0.00 C ATOM 2064 C LEU A 126 -5.002 -12.399 6.726 1.00 0.00 C ATOM 2065 O LEU A 126 -5.070 -13.111 7.729 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.194 -11.251 7.081 1.00 0.00 C ATOM 2067 CG LEU A 126 -6.597 -10.084 7.875 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.210 -8.942 6.949 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -7.583 -9.600 8.926 1.00 0.00 C ATOM 0 H LEU A 126 -7.794 -13.284 5.784 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.977 -11.122 5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.091 -10.901 6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.508 -12.024 7.783 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.696 -10.438 8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.789 -8.125 7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.470 -9.292 6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.094 -8.589 6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.145 -8.771 9.482 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.499 -9.266 8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.813 -10.415 9.612 1.00 0.00 H new ATOM 2081 N LEU A 127 -3.860 -12.040 6.171 1.00 0.00 N ATOM 2082 CA LEU A 127 -2.584 -12.471 6.712 1.00 0.00 C ATOM 2083 C LEU A 127 -2.192 -11.595 7.889 1.00 0.00 C ATOM 2084 O LEU A 127 -1.902 -12.089 8.977 1.00 0.00 O ATOM 2085 CB LEU A 127 -1.496 -12.417 5.635 1.00 0.00 C ATOM 2086 CG LEU A 127 -1.768 -13.266 4.393 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -0.596 -13.184 3.427 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -2.043 -14.708 4.788 1.00 0.00 C ATOM 0 H LEU A 127 -3.789 -11.449 5.343 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.685 -13.501 7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.365 -11.380 5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.553 -12.740 6.077 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.652 -12.875 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.805 -13.794 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.447 -12.148 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.306 -13.551 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.235 -15.300 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.178 -15.113 5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.914 -14.746 5.442 1.00 0.00 H new ATOM 2100 N PHE A 128 -2.206 -10.289 7.668 1.00 0.00 N ATOM 2101 CA PHE A 128 -1.812 -9.336 8.692 1.00 0.00 C ATOM 2102 C PHE A 128 -2.496 -7.998 8.443 1.00 0.00 C ATOM 2103 O PHE A 128 -2.861 -7.683 7.310 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.286 -9.162 8.676 1.00 0.00 C ATOM 2105 CG PHE A 128 0.260 -8.317 9.796 1.00 0.00 C ATOM 2106 CD1 PHE A 128 0.371 -8.831 11.078 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.666 -7.010 9.565 1.00 0.00 C ATOM 2108 CE1 PHE A 128 0.875 -8.058 12.108 1.00 0.00 C ATOM 2109 CE2 PHE A 128 1.171 -6.234 10.591 1.00 0.00 C ATOM 2110 CZ PHE A 128 1.274 -6.758 11.864 1.00 0.00 C ATOM 0 H PHE A 128 -2.487 -9.865 6.784 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.116 -9.710 9.670 1.00 0.00 H new ATOM 0 HB2 PHE A 128 0.179 -10.147 8.721 1.00 0.00 H new ATOM 0 HB3 PHE A 128 0.006 -8.715 7.726 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.060 -9.846 11.275 1.00 0.00 H new ATOM 0 HD2 PHE A 128 0.586 -6.594 8.571 1.00 0.00 H new ATOM 0 HE1 PHE A 128 0.957 -8.470 13.103 1.00 0.00 H new ATOM 0 HE2 PHE A 128 1.485 -5.219 10.397 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.666 -6.153 12.668 1.00 0.00 H new ATOM 2120 N THR A 129 -2.689 -7.223 9.493 1.00 0.00 N ATOM 2121 CA THR A 129 -3.231 -5.889 9.351 1.00 0.00 C ATOM 2122 C THR A 129 -2.408 -4.902 10.172 1.00 0.00 C ATOM 2123 O THR A 129 -2.225 -5.071 11.379 1.00 0.00 O ATOM 2124 CB THR A 129 -4.729 -5.824 9.741 1.00 0.00 C ATOM 2125 OG1 THR A 129 -5.228 -4.491 9.563 1.00 0.00 O ATOM 2126 CG2 THR A 129 -4.961 -6.273 11.178 1.00 0.00 C ATOM 0 H THR A 129 -2.478 -7.496 10.453 1.00 0.00 H new ATOM 0 HA THR A 129 -3.169 -5.613 8.298 1.00 0.00 H new ATOM 0 HB THR A 129 -5.268 -6.508 9.086 1.00 0.00 H new ATOM 0 HG1 THR A 129 -4.747 -4.057 8.828 1.00 0.00 H new ATOM 0 HG21 THR A 129 -6.024 -6.212 11.411 1.00 0.00 H new ATOM 0 HG22 THR A 129 -4.622 -7.302 11.297 1.00 0.00 H new ATOM 0 HG23 THR A 129 -4.404 -5.626 11.856 1.00 0.00 H new ATOM 2134 N GLU A 130 -1.873 -3.899 9.498 1.00 0.00 N ATOM 2135 CA GLU A 130 -1.069 -2.885 10.155 1.00 0.00 C ATOM 2136 C GLU A 130 -1.835 -1.570 10.180 1.00 0.00 C ATOM 2137 O GLU A 130 -2.150 -1.001 9.133 1.00 0.00 O ATOM 2138 CB GLU A 130 0.271 -2.717 9.430 1.00 0.00 C ATOM 2139 CG GLU A 130 1.244 -1.790 10.140 1.00 0.00 C ATOM 2140 CD GLU A 130 1.636 -2.287 11.514 1.00 0.00 C ATOM 2141 OE1 GLU A 130 0.834 -2.122 12.457 1.00 0.00 O ATOM 2142 OE2 GLU A 130 2.746 -2.841 11.653 1.00 0.00 O ATOM 0 H GLU A 130 -1.982 -3.765 8.493 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.863 -3.195 11.180 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.736 -3.696 9.315 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.085 -2.333 8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 130 2.141 -1.677 9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 130 0.795 -0.801 10.232 1.00 0.00 H new ATOM 2149 N SER A 131 -2.147 -1.095 11.371 1.00 0.00 N ATOM 2150 CA SER A 131 -2.978 0.085 11.526 1.00 0.00 C ATOM 2151 C SER A 131 -2.249 1.350 11.074 1.00 0.00 C ATOM 2152 O SER A 131 -1.024 1.450 11.175 1.00 0.00 O ATOM 2153 CB SER A 131 -3.414 0.226 12.989 1.00 0.00 C ATOM 2154 OG SER A 131 -4.046 -0.959 13.453 1.00 0.00 O ATOM 0 H SER A 131 -1.836 -1.510 12.249 1.00 0.00 H new ATOM 0 HA SER A 131 -3.856 -0.038 10.892 1.00 0.00 H new ATOM 0 HB2 SER A 131 -2.546 0.446 13.610 1.00 0.00 H new ATOM 0 HB3 SER A 131 -4.098 1.069 13.088 1.00 0.00 H new ATOM 0 HG SER A 131 -4.312 -0.843 14.389 1.00 0.00 H new ATOM 2160 N ILE A 132 -3.007 2.295 10.539 1.00 0.00 N ATOM 2161 CA ILE A 132 -2.491 3.621 10.248 1.00 0.00 C ATOM 2162 C ILE A 132 -2.899 4.548 11.377 1.00 0.00 C ATOM 2163 O ILE A 132 -4.081 4.648 11.688 1.00 0.00 O ATOM 2164 CB ILE A 132 -2.980 4.178 8.889 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -4.504 4.093 8.782 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -2.321 3.426 7.745 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -5.062 4.658 7.495 1.00 0.00 C ATOM 0 H ILE A 132 -3.989 2.165 10.296 1.00 0.00 H new ATOM 0 HA ILE A 132 -1.406 3.554 10.171 1.00 0.00 H new ATOM 0 HB ILE A 132 -2.696 5.228 8.825 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -4.807 3.050 8.870 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -4.947 4.626 9.623 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -2.673 3.827 6.795 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -1.239 3.542 7.809 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -2.577 2.368 7.809 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -6.148 4.561 7.495 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -4.792 5.711 7.413 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -4.649 4.110 6.648 1.00 0.00 H new ATOM 2179 N GLN A 133 -1.908 5.170 12.013 1.00 0.00 N ATOM 2180 CA GLN A 133 -2.108 5.896 13.268 1.00 0.00 C ATOM 2181 C GLN A 133 -3.384 6.742 13.317 1.00 0.00 C ATOM 2182 O GLN A 133 -3.433 7.878 12.855 1.00 0.00 O ATOM 2183 CB GLN A 133 -0.869 6.730 13.632 1.00 0.00 C ATOM 2184 CG GLN A 133 -0.125 7.355 12.456 1.00 0.00 C ATOM 2185 CD GLN A 133 -0.750 8.639 11.942 1.00 0.00 C ATOM 2186 OE1 GLN A 133 -0.464 9.725 12.446 1.00 0.00 O ATOM 2187 NE2 GLN A 133 -1.573 8.531 10.911 1.00 0.00 N ATOM 0 H GLN A 133 -0.946 5.186 11.675 1.00 0.00 H new ATOM 0 HA GLN A 133 -2.249 5.125 14.026 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -1.176 7.527 14.309 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -0.174 6.095 14.182 1.00 0.00 H new ATOM 0 HG2 GLN A 133 0.903 7.558 12.756 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -0.082 6.632 11.641 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -1.785 7.612 10.522 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -1.995 9.366 10.506 1.00 0.00 H new