USER MOD reduce.3.24.130724 H: found=0, std=0, add=1067, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1064 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 32 SER OG : rot 180:sc=9.75e-06 USER MOD Set 1.2: A 126 ASN : amide:sc= 0.00255 X(o=0.0026,f=0.0053) USER MOD Set 2.1: A 46 GLN : amide:sc= 0 X(o=0,f=0.35) USER MOD Set 2.2: A 48 HIS : no HD1:sc= 0 X(o=0,f=0.35) USER MOD Set 3.1: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 42 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.67) USER MOD Single : A 0 GLY N :NH3+ -121:sc= 0.0837 (180deg=0) USER MOD Single : A 3 SER OG : rot -159:sc= 1.17 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 82:sc= 1.11 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.241 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.514) USER MOD Single : A 28 CYS SG : rot -62:sc= 0.104 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.33 K(o=-0.33,f=-5.8!) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.0332 USER MOD Single : A 59 CYS SG : rot 180:sc=-0.00396 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 100:sc= 0.877 USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= 0.166 (180deg=0.0967) USER MOD Single : A 72 HIS :FLIP no HE2:sc= -0.273 F(o=-1.6!,f=-0.27) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -69:sc= 0.591 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 175:sc= 0 (180deg=-0.0136) USER MOD Single : A 95 MET CE :methyl 167:sc= -0.285 (180deg=-0.624) USER MOD Single : A 99 ASN : amide:sc= -0.0241 X(o=-0.024,f=-0.0031) USER MOD Single : A 102 ASN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 173:sc= 0.0624 (180deg=0.0572) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 115 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 8 N GLY A 0 1.102 1.705 -2.734 1.00 0.00 N ATOM 9 CA GLY A 0 0.358 2.646 -3.568 1.00 0.00 C ATOM 10 C GLY A 0 0.201 3.996 -2.859 1.00 0.00 C ATOM 11 O GLY A 0 0.603 4.170 -1.706 1.00 0.00 O ATOM 0 H1 GLY A 0 1.956 1.394 -3.239 1.00 0.00 H new ATOM 0 H2 GLY A 0 1.376 2.170 -1.845 1.00 0.00 H new ATOM 0 H3 GLY A 0 0.504 0.880 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.876 2.787 -4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -0.625 2.235 -3.799 1.00 0.00 H new ATOM 15 N ALA A 1 -0.362 4.965 -3.579 1.00 0.00 N ATOM 16 CA ALA A 1 -0.483 6.365 -3.179 1.00 0.00 C ATOM 17 C ALA A 1 -1.377 7.180 -4.137 1.00 0.00 C ATOM 18 O ALA A 1 -1.786 6.697 -5.203 1.00 0.00 O ATOM 19 CB ALA A 1 0.937 6.931 -3.117 1.00 0.00 C ATOM 0 H ALA A 1 -0.764 4.787 -4.499 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.974 6.433 -2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.898 7.979 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.521 6.369 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.405 6.848 -4.098 1.00 0.00 H new ATOM 25 N LEU A 2 -1.633 8.433 -3.758 1.00 0.00 N ATOM 26 CA LEU A 2 -2.562 9.381 -4.384 1.00 0.00 C ATOM 27 C LEU A 2 -1.816 10.632 -4.890 1.00 0.00 C ATOM 28 O LEU A 2 -0.791 11.016 -4.324 1.00 0.00 O ATOM 29 CB LEU A 2 -3.605 9.778 -3.317 1.00 0.00 C ATOM 30 CG LEU A 2 -4.422 8.610 -2.726 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.200 9.047 -1.491 1.00 0.00 C ATOM 32 CD2 LEU A 2 -5.404 8.051 -3.750 1.00 0.00 C ATOM 0 H LEU A 2 -1.165 8.843 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.044 8.920 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.091 10.289 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.296 10.496 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.707 7.836 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.765 8.201 -1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.505 9.403 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.887 9.849 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.965 7.229 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.094 8.836 -4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.856 7.687 -4.619 1.00 0.00 H new ATOM 44 N SER A 3 -2.301 11.274 -5.959 1.00 0.00 N ATOM 45 CA SER A 3 -1.647 12.451 -6.561 1.00 0.00 C ATOM 46 C SER A 3 -1.817 13.704 -5.692 1.00 0.00 C ATOM 47 O SER A 3 -2.737 13.754 -4.869 1.00 0.00 O ATOM 48 CB SER A 3 -2.217 12.675 -7.963 1.00 0.00 C ATOM 49 OG SER A 3 -1.413 13.565 -8.705 1.00 0.00 O ATOM 0 H SER A 3 -3.159 10.995 -6.435 1.00 0.00 H new ATOM 0 HA SER A 3 -0.576 12.260 -6.628 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.287 11.721 -8.486 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.229 13.072 -7.888 1.00 0.00 H new ATOM 0 HG SER A 3 -1.941 13.952 -9.435 1.00 0.00 H new ATOM 55 N TYR A 4 -0.971 14.724 -5.884 1.00 0.00 N ATOM 56 CA TYR A 4 -0.922 15.934 -5.043 1.00 0.00 C ATOM 57 C TYR A 4 -2.304 16.571 -4.842 1.00 0.00 C ATOM 58 O TYR A 4 -2.716 16.846 -3.716 1.00 0.00 O ATOM 59 CB TYR A 4 0.036 16.955 -5.679 1.00 0.00 C ATOM 60 CG TYR A 4 0.122 18.285 -4.948 1.00 0.00 C ATOM 61 CD1 TYR A 4 -0.768 19.328 -5.275 1.00 0.00 C ATOM 62 CD2 TYR A 4 1.088 18.482 -3.941 1.00 0.00 C ATOM 63 CE1 TYR A 4 -0.710 20.555 -4.586 1.00 0.00 C ATOM 64 CE2 TYR A 4 1.148 19.707 -3.247 1.00 0.00 C ATOM 65 CZ TYR A 4 0.248 20.746 -3.568 1.00 0.00 C ATOM 66 OH TYR A 4 0.316 21.933 -2.907 1.00 0.00 O ATOM 0 H TYR A 4 -0.288 14.735 -6.641 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.563 15.636 -4.058 1.00 0.00 H new ATOM 0 HB2 TYR A 4 1.033 16.517 -5.727 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.281 17.140 -6.706 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.498 19.186 -6.058 1.00 0.00 H new ATOM 0 HD2 TYR A 4 1.784 17.692 -3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.398 21.349 -4.837 1.00 0.00 H new ATOM 0 HE2 TYR A 4 1.883 19.851 -2.469 1.00 0.00 H new ATOM 0 HH TYR A 4 1.030 21.894 -2.237 1.00 0.00 H new ATOM 76 N GLU A 5 -3.033 16.742 -5.945 1.00 0.00 N ATOM 77 CA GLU A 5 -4.363 17.348 -6.035 1.00 0.00 C ATOM 78 C GLU A 5 -5.492 16.549 -5.343 1.00 0.00 C ATOM 79 O GLU A 5 -6.644 16.986 -5.352 1.00 0.00 O ATOM 80 CB GLU A 5 -4.693 17.620 -7.517 1.00 0.00 C ATOM 81 CG GLU A 5 -4.730 16.386 -8.442 1.00 0.00 C ATOM 82 CD GLU A 5 -3.361 15.970 -9.027 1.00 0.00 C ATOM 83 OE1 GLU A 5 -2.308 16.544 -8.666 1.00 0.00 O ATOM 84 OE2 GLU A 5 -3.317 15.015 -9.839 1.00 0.00 O ATOM 0 H GLU A 5 -2.689 16.442 -6.857 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.319 18.282 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.663 18.115 -7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.956 18.321 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.141 15.544 -7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.415 16.588 -9.266 1.00 0.00 H new ATOM 91 N THR A 6 -5.191 15.388 -4.751 1.00 0.00 N ATOM 92 CA THR A 6 -6.151 14.581 -3.985 1.00 0.00 C ATOM 93 C THR A 6 -6.426 15.232 -2.626 1.00 0.00 C ATOM 94 O THR A 6 -5.579 15.206 -1.730 1.00 0.00 O ATOM 95 CB THR A 6 -5.665 13.138 -3.791 1.00 0.00 C ATOM 96 OG1 THR A 6 -5.228 12.603 -5.021 1.00 0.00 O ATOM 97 CG2 THR A 6 -6.777 12.246 -3.256 1.00 0.00 C ATOM 0 H THR A 6 -4.259 14.975 -4.790 1.00 0.00 H new ATOM 0 HA THR A 6 -7.076 14.541 -4.561 1.00 0.00 H new ATOM 0 HB THR A 6 -4.846 13.166 -3.072 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.309 12.894 -5.196 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.400 11.231 -3.130 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.119 12.628 -2.294 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.609 12.239 -3.960 1.00 0.00 H new ATOM 105 N GLU A 7 -7.592 15.864 -2.474 1.00 0.00 N ATOM 106 CA GLU A 7 -7.933 16.630 -1.269 1.00 0.00 C ATOM 107 C GLU A 7 -8.513 15.728 -0.171 1.00 0.00 C ATOM 108 O GLU A 7 -9.469 14.975 -0.391 1.00 0.00 O ATOM 109 CB GLU A 7 -8.906 17.776 -1.583 1.00 0.00 C ATOM 110 CG GLU A 7 -8.393 18.662 -2.727 1.00 0.00 C ATOM 111 CD GLU A 7 -9.227 19.946 -2.891 1.00 0.00 C ATOM 112 OE1 GLU A 7 -8.969 20.937 -2.166 1.00 0.00 O ATOM 113 OE2 GLU A 7 -10.124 19.985 -3.766 1.00 0.00 O ATOM 0 H GLU A 7 -8.327 15.860 -3.181 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.004 17.063 -0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.879 17.364 -1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.052 18.384 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.353 18.929 -2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.414 18.097 -3.659 1.00 0.00 H new ATOM 120 N ILE A 8 -7.948 15.851 1.028 1.00 0.00 N ATOM 121 CA ILE A 8 -8.287 15.080 2.223 1.00 0.00 C ATOM 122 C ILE A 8 -8.942 16.042 3.211 1.00 0.00 C ATOM 123 O ILE A 8 -8.347 17.051 3.589 1.00 0.00 O ATOM 124 CB ILE A 8 -7.020 14.433 2.844 1.00 0.00 C ATOM 125 CG1 ILE A 8 -6.129 13.689 1.826 1.00 0.00 C ATOM 126 CG2 ILE A 8 -7.398 13.497 4.006 1.00 0.00 C ATOM 127 CD1 ILE A 8 -6.842 12.624 0.989 1.00 0.00 C ATOM 0 H ILE A 8 -7.203 16.526 1.202 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.967 14.266 1.971 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.422 15.263 3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.687 14.422 1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.308 13.215 2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.494 13.055 4.426 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.916 14.066 4.778 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.052 12.706 3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.130 12.161 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.260 11.863 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.644 13.089 0.416 1.00 0.00 H new ATOM 139 N LEU A 9 -10.182 15.749 3.607 1.00 0.00 N ATOM 140 CA LEU A 9 -10.862 16.441 4.703 1.00 0.00 C ATOM 141 C LEU A 9 -10.117 16.236 6.043 1.00 0.00 C ATOM 142 O LEU A 9 -9.853 15.099 6.447 1.00 0.00 O ATOM 143 CB LEU A 9 -12.308 15.915 4.775 1.00 0.00 C ATOM 144 CG LEU A 9 -13.213 16.675 5.762 1.00 0.00 C ATOM 145 CD1 LEU A 9 -13.588 18.072 5.263 1.00 0.00 C ATOM 146 CD2 LEU A 9 -14.508 15.890 5.982 1.00 0.00 C ATOM 0 H LEU A 9 -10.747 15.019 3.173 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.870 17.515 4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.751 15.968 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.285 14.863 5.058 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.647 16.780 6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.226 18.562 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.683 18.662 5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.122 17.989 4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.147 16.430 6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.028 15.773 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.273 14.907 6.391 1.00 0.00 H new ATOM 158 N THR A 10 -9.844 17.326 6.768 1.00 0.00 N ATOM 159 CA THR A 10 -9.185 17.322 8.088 1.00 0.00 C ATOM 160 C THR A 10 -9.964 18.154 9.116 1.00 0.00 C ATOM 161 O THR A 10 -10.667 19.105 8.769 1.00 0.00 O ATOM 162 CB THR A 10 -7.721 17.816 8.020 1.00 0.00 C ATOM 163 OG1 THR A 10 -7.660 19.210 7.793 1.00 0.00 O ATOM 164 CG2 THR A 10 -6.897 17.131 6.950 1.00 0.00 C ATOM 0 H THR A 10 -10.080 18.265 6.447 1.00 0.00 H new ATOM 0 HA THR A 10 -9.176 16.281 8.412 1.00 0.00 H new ATOM 0 HB THR A 10 -7.297 17.563 8.992 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.723 19.495 7.756 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.882 17.529 6.962 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.869 16.059 7.143 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.346 17.312 5.973 1.00 0.00 H new ATOM 172 N VAL A 11 -9.845 17.799 10.402 1.00 0.00 N ATOM 173 CA VAL A 11 -10.425 18.587 11.514 1.00 0.00 C ATOM 174 C VAL A 11 -9.626 19.868 11.793 1.00 0.00 C ATOM 175 O VAL A 11 -10.199 20.891 12.167 1.00 0.00 O ATOM 176 CB VAL A 11 -10.561 17.732 12.793 1.00 0.00 C ATOM 177 CG1 VAL A 11 -11.285 18.471 13.927 1.00 0.00 C ATOM 178 CG2 VAL A 11 -11.350 16.438 12.538 1.00 0.00 C ATOM 0 H VAL A 11 -9.348 16.962 10.707 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.423 18.891 11.200 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.534 17.511 13.085 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.351 17.822 14.800 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.730 19.372 14.186 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.289 18.744 13.601 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.422 15.867 13.464 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.351 16.686 12.186 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.837 15.842 11.783 1.00 0.00 H new ATOM 188 N GLU A 12 -8.306 19.842 11.575 1.00 0.00 N ATOM 189 CA GLU A 12 -7.416 20.994 11.801 1.00 0.00 C ATOM 190 C GLU A 12 -7.677 22.186 10.865 1.00 0.00 C ATOM 191 O GLU A 12 -7.535 23.332 11.301 1.00 0.00 O ATOM 192 CB GLU A 12 -5.954 20.549 11.643 1.00 0.00 C ATOM 193 CG GLU A 12 -5.372 19.919 12.913 1.00 0.00 C ATOM 194 CD GLU A 12 -5.305 20.918 14.084 1.00 0.00 C ATOM 195 OE1 GLU A 12 -4.420 21.809 14.087 1.00 0.00 O ATOM 196 OE2 GLU A 12 -6.138 20.823 15.019 1.00 0.00 O ATOM 0 H GLU A 12 -7.818 19.014 11.233 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.624 21.341 12.813 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.886 19.831 10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.348 21.410 11.362 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.981 19.063 13.203 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.371 19.541 12.703 1.00 0.00 H new ATOM 203 N TYR A 13 -8.078 21.935 9.609 1.00 0.00 N ATOM 204 CA TYR A 13 -8.306 22.994 8.613 1.00 0.00 C ATOM 205 C TYR A 13 -9.516 22.742 7.698 1.00 0.00 C ATOM 206 O TYR A 13 -10.345 23.644 7.538 1.00 0.00 O ATOM 207 CB TYR A 13 -7.052 23.178 7.744 1.00 0.00 C ATOM 208 CG TYR A 13 -5.819 23.716 8.449 1.00 0.00 C ATOM 209 CD1 TYR A 13 -5.802 25.050 8.904 1.00 0.00 C ATOM 210 CD2 TYR A 13 -4.673 22.907 8.603 1.00 0.00 C ATOM 211 CE1 TYR A 13 -4.650 25.575 9.518 1.00 0.00 C ATOM 212 CE2 TYR A 13 -3.516 23.431 9.215 1.00 0.00 C ATOM 213 CZ TYR A 13 -3.502 24.766 9.674 1.00 0.00 C ATOM 214 OH TYR A 13 -2.381 25.270 10.258 1.00 0.00 O ATOM 0 H TYR A 13 -8.253 20.994 9.256 1.00 0.00 H new ATOM 0 HA TYR A 13 -8.524 23.896 9.184 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.799 22.215 7.299 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.299 23.853 6.924 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.677 25.672 8.781 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.682 21.886 8.252 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.643 26.596 9.870 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.640 22.811 9.333 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.687 24.578 10.286 1.00 0.00 H new ATOM 224 N GLY A 14 -9.624 21.559 7.083 1.00 0.00 N ATOM 225 CA GLY A 14 -10.658 21.261 6.086 1.00 0.00 C ATOM 226 C GLY A 14 -10.103 20.500 4.882 1.00 0.00 C ATOM 227 O GLY A 14 -9.328 19.560 5.034 1.00 0.00 O ATOM 0 H GLY A 14 -8.994 20.778 7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.449 20.673 6.551 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.111 22.192 5.747 1.00 0.00 H new ATOM 231 N LEU A 15 -10.535 20.886 3.683 1.00 0.00 N ATOM 232 CA LEU A 15 -10.208 20.249 2.402 1.00 0.00 C ATOM 233 C LEU A 15 -8.830 20.704 1.876 1.00 0.00 C ATOM 234 O LEU A 15 -8.716 21.767 1.256 1.00 0.00 O ATOM 235 CB LEU A 15 -11.322 20.621 1.406 1.00 0.00 C ATOM 236 CG LEU A 15 -12.739 20.191 1.831 1.00 0.00 C ATOM 237 CD1 LEU A 15 -13.757 20.803 0.878 1.00 0.00 C ATOM 238 CD2 LEU A 15 -12.873 18.671 1.808 1.00 0.00 C ATOM 0 H LEU A 15 -11.152 21.690 3.569 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.148 19.168 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.314 21.701 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.094 20.167 0.441 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.920 20.540 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.761 20.501 1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.680 21.890 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.560 20.457 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.881 18.390 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.682 18.304 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.151 18.232 2.497 1.00 0.00 H new ATOM 250 N LEU A 16 -7.783 19.911 2.131 1.00 0.00 N ATOM 251 CA LEU A 16 -6.380 20.231 1.792 1.00 0.00 C ATOM 252 C LEU A 16 -5.697 19.100 0.982 1.00 0.00 C ATOM 253 O LEU A 16 -6.003 17.925 1.202 1.00 0.00 O ATOM 254 CB LEU A 16 -5.579 20.516 3.088 1.00 0.00 C ATOM 255 CG LEU A 16 -5.651 21.924 3.720 1.00 0.00 C ATOM 256 CD1 LEU A 16 -5.196 23.030 2.766 1.00 0.00 C ATOM 257 CD2 LEU A 16 -7.020 22.309 4.275 1.00 0.00 C ATOM 0 H LEU A 16 -7.884 19.006 2.590 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.390 21.119 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.907 19.800 3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.531 20.302 2.880 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.959 21.844 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.269 23.995 3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.162 22.852 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.832 23.031 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.972 23.313 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.757 22.288 3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.310 21.602 5.052 1.00 0.00 H new ATOM 269 N PRO A 17 -4.759 19.414 0.062 1.00 0.00 N ATOM 270 CA PRO A 17 -4.066 18.428 -0.779 1.00 0.00 C ATOM 271 C PRO A 17 -3.137 17.509 0.029 1.00 0.00 C ATOM 272 O PRO A 17 -2.290 17.981 0.794 1.00 0.00 O ATOM 273 CB PRO A 17 -3.286 19.251 -1.814 1.00 0.00 C ATOM 274 CG PRO A 17 -3.080 20.607 -1.149 1.00 0.00 C ATOM 275 CD PRO A 17 -4.321 20.762 -0.277 1.00 0.00 C ATOM 0 HA PRO A 17 -4.779 17.751 -1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.334 18.781 -2.059 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.843 19.347 -2.746 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.166 20.629 -0.556 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.002 21.408 -1.884 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.094 21.334 0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.104 21.302 -0.809 1.00 0.00 H new ATOM 283 N ILE A 18 -3.246 16.189 -0.185 1.00 0.00 N ATOM 284 CA ILE A 18 -2.403 15.176 0.477 1.00 0.00 C ATOM 285 C ILE A 18 -0.902 15.421 0.282 1.00 0.00 C ATOM 286 O ILE A 18 -0.116 15.222 1.209 1.00 0.00 O ATOM 287 CB ILE A 18 -2.798 13.747 0.031 1.00 0.00 C ATOM 288 CG1 ILE A 18 -2.149 12.701 0.967 1.00 0.00 C ATOM 289 CG2 ILE A 18 -2.474 13.469 -1.450 1.00 0.00 C ATOM 290 CD1 ILE A 18 -2.740 11.295 0.823 1.00 0.00 C ATOM 0 H ILE A 18 -3.928 15.788 -0.829 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.591 15.270 1.546 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.882 13.666 0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.079 12.658 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.264 13.030 2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.774 12.452 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.016 14.174 -2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.403 13.584 -1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.235 10.616 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.804 11.322 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.601 10.945 -0.200 1.00 0.00 H new ATOM 302 N GLY A 19 -0.492 15.911 -0.894 1.00 0.00 N ATOM 303 CA GLY A 19 0.925 16.095 -1.199 1.00 0.00 C ATOM 304 C GLY A 19 1.583 17.186 -0.360 1.00 0.00 C ATOM 305 O GLY A 19 2.723 17.023 0.063 1.00 0.00 O ATOM 0 H GLY A 19 -1.123 16.186 -1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.450 15.154 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.034 16.342 -2.255 1.00 0.00 H new ATOM 309 N LYS A 20 0.851 18.259 -0.023 1.00 0.00 N ATOM 310 CA LYS A 20 1.348 19.331 0.852 1.00 0.00 C ATOM 311 C LYS A 20 1.434 18.877 2.312 1.00 0.00 C ATOM 312 O LYS A 20 2.338 19.290 3.030 1.00 0.00 O ATOM 313 CB LYS A 20 0.450 20.567 0.682 1.00 0.00 C ATOM 314 CG LYS A 20 1.087 21.838 1.262 1.00 0.00 C ATOM 315 CD LYS A 20 0.262 23.077 0.887 1.00 0.00 C ATOM 316 CE LYS A 20 0.925 24.347 1.437 1.00 0.00 C ATOM 317 NZ LYS A 20 0.200 25.574 1.008 1.00 0.00 N ATOM 0 H LYS A 20 -0.104 18.408 -0.350 1.00 0.00 H new ATOM 0 HA LYS A 20 2.366 19.591 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.242 20.719 -0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.507 20.388 1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.155 21.755 2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.105 21.945 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.171 23.147 -0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.748 22.984 1.286 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.952 24.302 2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.959 24.396 1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.676 26.413 1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.196 25.630 -0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.779 25.538 1.356 1.00 0.00 H new ATOM 331 N ILE A 21 0.545 17.975 2.737 1.00 0.00 N ATOM 332 CA ILE A 21 0.555 17.389 4.083 1.00 0.00 C ATOM 333 C ILE A 21 1.766 16.469 4.241 1.00 0.00 C ATOM 334 O ILE A 21 2.393 16.482 5.292 1.00 0.00 O ATOM 335 CB ILE A 21 -0.781 16.666 4.382 1.00 0.00 C ATOM 336 CG1 ILE A 21 -1.944 17.688 4.407 1.00 0.00 C ATOM 337 CG2 ILE A 21 -0.758 15.847 5.684 1.00 0.00 C ATOM 338 CD1 ILE A 21 -3.334 17.057 4.262 1.00 0.00 C ATOM 0 H ILE A 21 -0.212 17.626 2.149 1.00 0.00 H new ATOM 0 HA ILE A 21 0.647 18.186 4.821 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.934 15.949 3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.905 18.244 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.798 18.409 3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.726 15.368 5.830 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.018 15.084 5.620 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.550 16.507 6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.093 17.839 4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.395 16.525 3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.504 16.358 5.081 1.00 0.00 H new ATOM 350 N VAL A 22 2.135 15.719 3.200 1.00 0.00 N ATOM 351 CA VAL A 22 3.268 14.779 3.217 1.00 0.00 C ATOM 352 C VAL A 22 4.619 15.462 2.974 1.00 0.00 C ATOM 353 O VAL A 22 5.597 15.132 3.642 1.00 0.00 O ATOM 354 CB VAL A 22 2.995 13.649 2.207 1.00 0.00 C ATOM 355 CG1 VAL A 22 4.183 12.710 1.977 1.00 0.00 C ATOM 356 CG2 VAL A 22 1.812 12.808 2.721 1.00 0.00 C ATOM 0 H VAL A 22 1.649 15.745 2.304 1.00 0.00 H new ATOM 0 HA VAL A 22 3.348 14.355 4.218 1.00 0.00 H new ATOM 0 HB VAL A 22 2.785 14.133 1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.906 11.944 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.030 13.281 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.460 12.236 2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.605 12.002 2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.062 12.384 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.930 13.441 2.817 1.00 0.00 H new ATOM 366 N GLU A 23 4.688 16.459 2.089 1.00 0.00 N ATOM 367 CA GLU A 23 5.918 17.232 1.817 1.00 0.00 C ATOM 368 C GLU A 23 6.320 18.150 2.983 1.00 0.00 C ATOM 369 O GLU A 23 7.499 18.482 3.131 1.00 0.00 O ATOM 370 CB GLU A 23 5.749 18.080 0.543 1.00 0.00 C ATOM 371 CG GLU A 23 5.829 17.254 -0.749 1.00 0.00 C ATOM 372 CD GLU A 23 7.291 16.982 -1.148 1.00 0.00 C ATOM 373 OE1 GLU A 23 7.913 16.035 -0.608 1.00 0.00 O ATOM 374 OE2 GLU A 23 7.840 17.727 -1.997 1.00 0.00 O ATOM 0 H GLU A 23 3.888 16.761 1.532 1.00 0.00 H new ATOM 0 HA GLU A 23 6.715 16.500 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.787 18.592 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.520 18.850 0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.305 16.308 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.322 17.785 -1.555 1.00 0.00 H new ATOM 381 N LYS A 24 5.354 18.529 3.834 1.00 0.00 N ATOM 382 CA LYS A 24 5.543 19.441 4.982 1.00 0.00 C ATOM 383 C LYS A 24 5.228 18.767 6.327 1.00 0.00 C ATOM 384 O LYS A 24 5.290 19.418 7.371 1.00 0.00 O ATOM 385 CB LYS A 24 4.722 20.734 4.773 1.00 0.00 C ATOM 386 CG LYS A 24 4.904 21.434 3.411 1.00 0.00 C ATOM 387 CD LYS A 24 6.322 21.925 3.067 1.00 0.00 C ATOM 388 CE LYS A 24 6.699 23.283 3.687 1.00 0.00 C ATOM 389 NZ LYS A 24 7.103 23.194 5.118 1.00 0.00 N ATOM 0 H LYS A 24 4.392 18.203 3.743 1.00 0.00 H new ATOM 0 HA LYS A 24 6.599 19.709 5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.666 20.495 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.985 21.440 5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.584 20.745 2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.230 22.290 3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.042 21.177 3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.414 21.997 1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.517 23.720 3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.850 23.961 3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.696 24.013 5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.254 23.189 5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.642 22.318 5.273 1.00 0.00 H new ATOM 403 N ARG A 25 4.934 17.456 6.295 1.00 0.00 N ATOM 404 CA ARG A 25 4.630 16.565 7.429 1.00 0.00 C ATOM 405 C ARG A 25 3.652 17.193 8.429 1.00 0.00 C ATOM 406 O ARG A 25 3.943 17.324 9.621 1.00 0.00 O ATOM 407 CB ARG A 25 5.926 16.025 8.058 1.00 0.00 C ATOM 408 CG ARG A 25 6.890 15.392 7.035 1.00 0.00 C ATOM 409 CD ARG A 25 7.917 16.391 6.475 1.00 0.00 C ATOM 410 NE ARG A 25 9.143 15.715 6.004 1.00 0.00 N ATOM 411 CZ ARG A 25 10.210 16.300 5.484 1.00 0.00 C ATOM 412 NH1 ARG A 25 10.236 17.572 5.195 1.00 0.00 N ATOM 413 NH2 ARG A 25 11.290 15.610 5.250 1.00 0.00 N ATOM 0 H ARG A 25 4.900 16.953 5.408 1.00 0.00 H new ATOM 0 HA ARG A 25 4.092 15.697 7.047 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.438 16.839 8.572 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.671 15.282 8.813 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.418 14.563 7.507 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.312 14.974 6.211 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.470 16.948 5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.176 17.116 7.246 1.00 0.00 H new ATOM 0 HE ARG A 25 9.170 14.699 6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.415 18.151 5.369 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.078 17.987 4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.316 14.614 5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.110 16.066 4.849 1.00 0.00 H new ATOM 427 N ILE A 26 2.524 17.681 7.903 1.00 0.00 N ATOM 428 CA ILE A 26 1.548 18.483 8.653 1.00 0.00 C ATOM 429 C ILE A 26 0.797 17.573 9.634 1.00 0.00 C ATOM 430 O ILE A 26 0.161 16.598 9.234 1.00 0.00 O ATOM 431 CB ILE A 26 0.597 19.255 7.703 1.00 0.00 C ATOM 432 CG1 ILE A 26 1.419 20.109 6.705 1.00 0.00 C ATOM 433 CG2 ILE A 26 -0.371 20.136 8.514 1.00 0.00 C ATOM 434 CD1 ILE A 26 0.592 20.898 5.684 1.00 0.00 C ATOM 0 H ILE A 26 2.258 17.529 6.930 1.00 0.00 H new ATOM 0 HA ILE A 26 2.070 19.246 9.230 1.00 0.00 H new ATOM 0 HB ILE A 26 0.006 18.537 7.134 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.032 20.810 7.271 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.101 19.452 6.166 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.032 20.672 7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.965 19.508 9.178 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.198 20.853 9.106 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.260 21.462 5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.001 20.207 5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.071 21.587 6.207 1.00 0.00 H new ATOM 446 N GLU A 27 0.898 17.881 10.928 1.00 0.00 N ATOM 447 CA GLU A 27 0.215 17.157 12.008 1.00 0.00 C ATOM 448 C GLU A 27 -1.280 17.514 12.037 1.00 0.00 C ATOM 449 O GLU A 27 -1.668 18.564 12.557 1.00 0.00 O ATOM 450 CB GLU A 27 0.886 17.449 13.364 1.00 0.00 C ATOM 451 CG GLU A 27 2.254 16.767 13.484 1.00 0.00 C ATOM 452 CD GLU A 27 2.902 17.061 14.847 1.00 0.00 C ATOM 453 OE1 GLU A 27 3.615 18.089 14.981 1.00 0.00 O ATOM 454 OE2 GLU A 27 2.712 16.269 15.804 1.00 0.00 O ATOM 0 H GLU A 27 1.468 18.657 11.264 1.00 0.00 H new ATOM 0 HA GLU A 27 0.299 16.087 11.817 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.005 18.526 13.486 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.238 17.107 14.171 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.139 15.690 13.357 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.908 17.114 12.684 1.00 0.00 H new ATOM 461 N CYS A 28 -2.117 16.642 11.466 1.00 0.00 N ATOM 462 CA CYS A 28 -3.566 16.845 11.356 1.00 0.00 C ATOM 463 C CYS A 28 -4.397 15.572 11.577 1.00 0.00 C ATOM 464 O CYS A 28 -3.914 14.443 11.497 1.00 0.00 O ATOM 465 CB CYS A 28 -3.899 17.506 10.003 1.00 0.00 C ATOM 466 SG CYS A 28 -3.281 16.535 8.591 1.00 0.00 S ATOM 0 H CYS A 28 -1.802 15.761 11.060 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.851 17.511 12.170 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.979 17.625 9.915 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.465 18.505 9.972 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.986 16.448 8.658 1.00 0.00 H new ATOM 472 N THR A 29 -5.683 15.785 11.850 1.00 0.00 N ATOM 473 CA THR A 29 -6.705 14.740 12.044 1.00 0.00 C ATOM 474 C THR A 29 -7.385 14.399 10.711 1.00 0.00 C ATOM 475 O THR A 29 -7.479 15.253 9.833 1.00 0.00 O ATOM 476 CB THR A 29 -7.778 15.210 13.051 1.00 0.00 C ATOM 477 OG1 THR A 29 -7.297 16.196 13.943 1.00 0.00 O ATOM 478 CG2 THR A 29 -8.333 14.085 13.918 1.00 0.00 C ATOM 0 H THR A 29 -6.064 16.726 11.947 1.00 0.00 H new ATOM 0 HA THR A 29 -6.206 13.853 12.435 1.00 0.00 H new ATOM 0 HB THR A 29 -8.563 15.613 12.411 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.014 16.460 14.557 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.081 14.487 14.601 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.792 13.328 13.282 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.523 13.634 14.491 1.00 0.00 H new ATOM 486 N VAL A 30 -7.920 13.185 10.580 1.00 0.00 N ATOM 487 CA VAL A 30 -8.636 12.680 9.387 1.00 0.00 C ATOM 488 C VAL A 30 -9.951 12.001 9.783 1.00 0.00 C ATOM 489 O VAL A 30 -10.202 11.809 10.972 1.00 0.00 O ATOM 490 CB VAL A 30 -7.752 11.717 8.559 1.00 0.00 C ATOM 491 CG1 VAL A 30 -6.481 12.408 8.063 1.00 0.00 C ATOM 492 CG2 VAL A 30 -7.351 10.438 9.310 1.00 0.00 C ATOM 0 H VAL A 30 -7.870 12.492 11.326 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.869 13.540 8.759 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.379 11.426 7.716 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.885 11.702 7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.750 13.256 7.433 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.901 12.760 8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.733 9.815 8.663 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.788 10.703 10.205 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.247 9.887 9.595 1.00 0.00 H new ATOM 502 N TYR A 31 -10.766 11.605 8.800 1.00 0.00 N ATOM 503 CA TYR A 31 -12.084 10.975 8.971 1.00 0.00 C ATOM 504 C TYR A 31 -12.082 9.582 8.339 1.00 0.00 C ATOM 505 O TYR A 31 -11.508 9.386 7.266 1.00 0.00 O ATOM 506 CB TYR A 31 -13.199 11.808 8.312 1.00 0.00 C ATOM 507 CG TYR A 31 -13.455 13.188 8.892 1.00 0.00 C ATOM 508 CD1 TYR A 31 -12.565 14.250 8.639 1.00 0.00 C ATOM 509 CD2 TYR A 31 -14.627 13.420 9.639 1.00 0.00 C ATOM 510 CE1 TYR A 31 -12.841 15.540 9.134 1.00 0.00 C ATOM 511 CE2 TYR A 31 -14.919 14.713 10.116 1.00 0.00 C ATOM 512 CZ TYR A 31 -14.029 15.778 9.858 1.00 0.00 C ATOM 513 OH TYR A 31 -14.332 17.034 10.288 1.00 0.00 O ATOM 0 H TYR A 31 -10.516 11.719 7.818 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.278 10.909 10.042 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -12.958 11.923 7.255 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.127 11.238 8.367 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.668 14.075 8.064 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.304 12.604 9.847 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.144 16.346 8.960 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -15.824 14.889 10.679 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.186 17.018 10.769 1.00 0.00 H new ATOM 523 N SER A 32 -12.731 8.622 8.998 1.00 0.00 N ATOM 524 CA SER A 32 -12.749 7.203 8.616 1.00 0.00 C ATOM 525 C SER A 32 -13.951 6.486 9.256 1.00 0.00 C ATOM 526 O SER A 32 -14.575 7.032 10.163 1.00 0.00 O ATOM 527 CB SER A 32 -11.422 6.583 9.073 1.00 0.00 C ATOM 528 OG SER A 32 -11.304 5.231 8.677 1.00 0.00 O ATOM 0 H SER A 32 -13.276 8.812 9.839 1.00 0.00 H new ATOM 0 HA SER A 32 -12.856 7.097 7.536 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.593 7.156 8.658 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.345 6.651 10.158 1.00 0.00 H new ATOM 0 HG SER A 32 -10.445 4.874 8.985 1.00 0.00 H new ATOM 534 N VAL A 33 -14.298 5.274 8.806 1.00 0.00 N ATOM 535 CA VAL A 33 -15.467 4.500 9.278 1.00 0.00 C ATOM 536 C VAL A 33 -15.034 3.253 10.054 1.00 0.00 C ATOM 537 O VAL A 33 -14.217 2.452 9.591 1.00 0.00 O ATOM 538 CB VAL A 33 -16.474 4.192 8.142 1.00 0.00 C ATOM 539 CG1 VAL A 33 -15.837 3.848 6.788 1.00 0.00 C ATOM 540 CG2 VAL A 33 -17.451 3.086 8.511 1.00 0.00 C ATOM 0 H VAL A 33 -13.765 4.787 8.086 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.012 5.131 9.981 1.00 0.00 H new ATOM 0 HB VAL A 33 -17.005 5.137 8.024 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -16.621 3.648 6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -15.229 4.687 6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -15.208 2.964 6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -18.134 2.911 7.679 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -16.900 2.171 8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -18.021 3.383 9.392 1.00 0.00 H new ATOM 550 N ASP A 34 -15.581 3.110 11.264 1.00 0.00 N ATOM 551 CA ASP A 34 -15.332 1.975 12.162 1.00 0.00 C ATOM 552 C ASP A 34 -16.111 0.712 11.737 1.00 0.00 C ATOM 553 O ASP A 34 -16.932 0.720 10.816 1.00 0.00 O ATOM 554 CB ASP A 34 -15.694 2.379 13.604 1.00 0.00 C ATOM 555 CG ASP A 34 -14.988 1.521 14.663 1.00 0.00 C ATOM 556 OD1 ASP A 34 -13.764 1.690 14.873 1.00 0.00 O ATOM 557 OD2 ASP A 34 -15.660 0.649 15.266 1.00 0.00 O ATOM 0 H ASP A 34 -16.225 3.796 11.658 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.273 1.722 12.105 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.432 3.426 13.759 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.773 2.297 13.738 1.00 0.00 H new ATOM 562 N ASN A 35 -15.909 -0.380 12.473 1.00 0.00 N ATOM 563 CA ASN A 35 -16.598 -1.666 12.291 1.00 0.00 C ATOM 564 C ASN A 35 -18.130 -1.573 12.480 1.00 0.00 C ATOM 565 O ASN A 35 -18.870 -2.401 11.942 1.00 0.00 O ATOM 566 CB ASN A 35 -15.996 -2.701 13.260 1.00 0.00 C ATOM 567 CG ASN A 35 -14.555 -3.054 12.923 1.00 0.00 C ATOM 568 OD1 ASN A 35 -13.617 -2.340 13.254 1.00 0.00 O ATOM 569 ND2 ASN A 35 -14.324 -4.166 12.256 1.00 0.00 N ATOM 0 H ASN A 35 -15.238 -0.399 13.241 1.00 0.00 H new ATOM 0 HA ASN A 35 -16.443 -1.976 11.258 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -16.042 -2.310 14.276 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -16.602 -3.607 13.239 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.368 -4.429 12.018 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.102 -4.765 11.978 1.00 0.00 H new ATOM 576 N ASN A 36 -18.609 -0.558 13.213 1.00 0.00 N ATOM 577 CA ASN A 36 -20.033 -0.263 13.423 1.00 0.00 C ATOM 578 C ASN A 36 -20.633 0.683 12.354 1.00 0.00 C ATOM 579 O ASN A 36 -21.833 0.966 12.392 1.00 0.00 O ATOM 580 CB ASN A 36 -20.199 0.287 14.855 1.00 0.00 C ATOM 581 CG ASN A 36 -20.166 -0.818 15.900 1.00 0.00 C ATOM 582 OD1 ASN A 36 -21.184 -1.405 16.243 1.00 0.00 O ATOM 583 ND2 ASN A 36 -19.010 -1.145 16.438 1.00 0.00 N ATOM 0 H ASN A 36 -17.996 0.102 13.692 1.00 0.00 H new ATOM 0 HA ASN A 36 -20.603 -1.185 13.309 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -19.405 1.004 15.062 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -21.143 0.827 14.928 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -18.965 -1.885 17.138 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -18.160 -0.658 16.155 1.00 0.00 H new ATOM 590 N GLY A 37 -19.832 1.187 11.403 1.00 0.00 N ATOM 591 CA GLY A 37 -20.282 2.077 10.324 1.00 0.00 C ATOM 592 C GLY A 37 -20.383 3.554 10.716 1.00 0.00 C ATOM 593 O GLY A 37 -20.847 4.365 9.912 1.00 0.00 O ATOM 0 H GLY A 37 -18.833 0.983 11.362 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -19.594 1.984 9.484 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -21.258 1.740 9.976 1.00 0.00 H new ATOM 597 N ASN A 38 -19.954 3.919 11.931 1.00 0.00 N ATOM 598 CA ASN A 38 -19.899 5.313 12.365 1.00 0.00 C ATOM 599 C ASN A 38 -18.623 5.970 11.824 1.00 0.00 C ATOM 600 O ASN A 38 -17.537 5.386 11.882 1.00 0.00 O ATOM 601 CB ASN A 38 -20.037 5.420 13.898 1.00 0.00 C ATOM 602 CG ASN A 38 -18.811 4.997 14.701 1.00 0.00 C ATOM 603 OD1 ASN A 38 -17.865 5.750 14.889 1.00 0.00 O ATOM 604 ND2 ASN A 38 -18.812 3.803 15.245 1.00 0.00 N ATOM 0 H ASN A 38 -19.637 3.254 12.637 1.00 0.00 H new ATOM 0 HA ASN A 38 -20.746 5.861 11.952 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -20.277 6.452 14.152 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -20.883 4.809 14.212 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -18.026 3.505 15.823 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -19.599 3.173 15.090 1.00 0.00 H new ATOM 611 N ILE A 39 -18.760 7.184 11.288 1.00 0.00 N ATOM 612 CA ILE A 39 -17.627 8.034 10.936 1.00 0.00 C ATOM 613 C ILE A 39 -17.008 8.550 12.242 1.00 0.00 C ATOM 614 O ILE A 39 -17.681 9.214 13.040 1.00 0.00 O ATOM 615 CB ILE A 39 -18.035 9.194 10.008 1.00 0.00 C ATOM 616 CG1 ILE A 39 -18.767 8.685 8.743 1.00 0.00 C ATOM 617 CG2 ILE A 39 -16.769 9.973 9.597 1.00 0.00 C ATOM 618 CD1 ILE A 39 -19.496 9.819 8.023 1.00 0.00 C ATOM 0 H ILE A 39 -19.667 7.605 11.086 1.00 0.00 H new ATOM 0 HA ILE A 39 -16.896 7.453 10.374 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.724 9.842 10.549 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -18.048 8.225 8.065 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -19.482 7.911 9.022 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.046 10.797 8.940 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.280 10.368 10.487 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.085 9.305 9.073 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.999 9.425 7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -20.233 10.261 8.693 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.777 10.581 7.722 1.00 0.00 H new ATOM 630 N TYR A 40 -15.725 8.266 12.439 1.00 0.00 N ATOM 631 CA TYR A 40 -14.904 8.738 13.551 1.00 0.00 C ATOM 632 C TYR A 40 -13.693 9.527 13.027 1.00 0.00 C ATOM 633 O TYR A 40 -13.406 9.522 11.825 1.00 0.00 O ATOM 634 CB TYR A 40 -14.504 7.553 14.452 1.00 0.00 C ATOM 635 CG TYR A 40 -13.414 6.634 13.912 1.00 0.00 C ATOM 636 CD1 TYR A 40 -13.738 5.557 13.059 1.00 0.00 C ATOM 637 CD2 TYR A 40 -12.076 6.831 14.311 1.00 0.00 C ATOM 638 CE1 TYR A 40 -12.724 4.699 12.588 1.00 0.00 C ATOM 639 CE2 TYR A 40 -11.066 5.964 13.853 1.00 0.00 C ATOM 640 CZ TYR A 40 -11.384 4.901 12.982 1.00 0.00 C ATOM 641 OH TYR A 40 -10.402 4.066 12.541 1.00 0.00 O ATOM 0 H TYR A 40 -15.203 7.671 11.796 1.00 0.00 H new ATOM 0 HA TYR A 40 -15.482 9.427 14.167 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.173 7.949 15.412 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.394 6.953 14.644 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.764 5.390 12.767 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.825 7.649 14.970 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.973 3.885 11.924 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.044 6.113 14.170 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.540 4.352 12.909 1.00 0.00 H new ATOM 651 N THR A 41 -12.976 10.208 13.924 1.00 0.00 N ATOM 652 CA THR A 41 -11.791 11.011 13.574 1.00 0.00 C ATOM 653 C THR A 41 -10.573 10.628 14.410 1.00 0.00 C ATOM 654 O THR A 41 -10.692 10.304 15.593 1.00 0.00 O ATOM 655 CB THR A 41 -12.050 12.529 13.666 1.00 0.00 C ATOM 656 OG1 THR A 41 -12.617 12.894 14.914 1.00 0.00 O ATOM 657 CG2 THR A 41 -12.983 13.027 12.572 1.00 0.00 C ATOM 0 H THR A 41 -13.198 10.221 14.919 1.00 0.00 H new ATOM 0 HA THR A 41 -11.576 10.779 12.531 1.00 0.00 H new ATOM 0 HB THR A 41 -11.070 12.992 13.549 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.765 13.863 14.935 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.132 14.101 12.682 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.543 12.820 11.596 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.943 12.517 12.653 1.00 0.00 H new ATOM 665 N GLN A 42 -9.395 10.671 13.782 1.00 0.00 N ATOM 666 CA GLN A 42 -8.127 10.205 14.360 1.00 0.00 C ATOM 667 C GLN A 42 -6.917 10.984 13.805 1.00 0.00 C ATOM 668 O GLN A 42 -6.961 11.415 12.651 1.00 0.00 O ATOM 669 CB GLN A 42 -7.987 8.696 14.084 1.00 0.00 C ATOM 670 CG GLN A 42 -7.938 8.321 12.589 1.00 0.00 C ATOM 671 CD GLN A 42 -8.002 6.809 12.362 1.00 0.00 C ATOM 672 OE1 GLN A 42 -7.621 5.996 13.196 1.00 0.00 O ATOM 673 NE2 GLN A 42 -8.490 6.375 11.220 1.00 0.00 N ATOM 0 H GLN A 42 -9.292 11.039 12.836 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.141 10.386 15.435 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.079 8.334 14.566 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.824 8.175 14.549 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.769 8.799 12.070 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.021 8.713 12.149 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.811 7.040 10.517 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.548 5.373 11.038 1.00 0.00 H new ATOM 682 N PRO A 43 -5.846 11.197 14.592 1.00 0.00 N ATOM 683 CA PRO A 43 -4.653 11.916 14.143 1.00 0.00 C ATOM 684 C PRO A 43 -3.774 11.078 13.198 1.00 0.00 C ATOM 685 O PRO A 43 -3.677 9.853 13.327 1.00 0.00 O ATOM 686 CB PRO A 43 -3.899 12.278 15.426 1.00 0.00 C ATOM 687 CG PRO A 43 -4.287 11.166 16.399 1.00 0.00 C ATOM 688 CD PRO A 43 -5.721 10.828 15.996 1.00 0.00 C ATOM 0 HA PRO A 43 -4.926 12.795 13.560 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.822 12.309 15.262 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.193 13.259 15.800 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.629 10.302 16.305 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.229 11.500 17.435 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.926 9.767 16.139 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.437 11.377 16.608 1.00 0.00 H new ATOM 696 N VAL A 44 -3.094 11.756 12.267 1.00 0.00 N ATOM 697 CA VAL A 44 -2.029 11.178 11.427 1.00 0.00 C ATOM 698 C VAL A 44 -0.898 10.587 12.292 1.00 0.00 C ATOM 699 O VAL A 44 -0.567 11.119 13.356 1.00 0.00 O ATOM 700 CB VAL A 44 -1.505 12.235 10.428 1.00 0.00 C ATOM 701 CG1 VAL A 44 -0.780 13.411 11.097 1.00 0.00 C ATOM 702 CG2 VAL A 44 -0.568 11.634 9.374 1.00 0.00 C ATOM 0 H VAL A 44 -3.269 12.741 12.069 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.446 10.353 10.850 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.409 12.611 9.949 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.441 14.111 10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.463 13.919 11.778 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.079 13.039 11.655 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.229 12.419 8.698 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.293 11.183 9.867 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.101 10.871 8.806 1.00 0.00 H new ATOM 712 N ALA A 45 -0.290 9.495 11.823 1.00 0.00 N ATOM 713 CA ALA A 45 0.807 8.792 12.495 1.00 0.00 C ATOM 714 C ALA A 45 2.159 8.969 11.778 1.00 0.00 C ATOM 715 O ALA A 45 3.205 8.979 12.430 1.00 0.00 O ATOM 716 CB ALA A 45 0.433 7.306 12.583 1.00 0.00 C ATOM 0 H ALA A 45 -0.555 9.062 10.938 1.00 0.00 H new ATOM 0 HA ALA A 45 0.938 9.221 13.489 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.234 6.758 13.080 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.490 7.196 13.153 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.289 6.907 11.579 1.00 0.00 H new ATOM 722 N GLN A 46 2.138 9.095 10.444 1.00 0.00 N ATOM 723 CA GLN A 46 3.320 9.209 9.577 1.00 0.00 C ATOM 724 C GLN A 46 2.964 9.708 8.163 1.00 0.00 C ATOM 725 O GLN A 46 1.790 9.837 7.816 1.00 0.00 O ATOM 726 CB GLN A 46 4.098 7.883 9.544 1.00 0.00 C ATOM 727 CG GLN A 46 3.292 6.606 9.275 1.00 0.00 C ATOM 728 CD GLN A 46 4.033 5.408 9.859 1.00 0.00 C ATOM 729 OE1 GLN A 46 4.693 4.636 9.176 1.00 0.00 O ATOM 730 NE2 GLN A 46 3.996 5.246 11.167 1.00 0.00 N ATOM 0 H GLN A 46 1.264 9.121 9.919 1.00 0.00 H new ATOM 0 HA GLN A 46 3.972 9.969 10.008 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.870 7.963 8.779 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.608 7.766 10.500 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.301 6.687 9.721 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.149 6.472 8.203 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.449 5.884 11.745 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.515 4.482 11.601 1.00 0.00 H new ATOM 739 N TRP A 47 3.979 9.962 7.332 1.00 0.00 N ATOM 740 CA TRP A 47 3.847 10.559 5.997 1.00 0.00 C ATOM 741 C TRP A 47 4.759 9.827 5.000 1.00 0.00 C ATOM 742 O TRP A 47 5.986 9.927 5.088 1.00 0.00 O ATOM 743 CB TRP A 47 4.207 12.054 6.077 1.00 0.00 C ATOM 744 CG TRP A 47 3.390 12.883 7.025 1.00 0.00 C ATOM 745 CD1 TRP A 47 2.299 13.616 6.708 1.00 0.00 C ATOM 746 CD2 TRP A 47 3.598 13.078 8.452 1.00 0.00 C ATOM 747 NE1 TRP A 47 1.815 14.248 7.839 1.00 0.00 N ATOM 748 CE2 TRP A 47 2.574 13.938 8.946 1.00 0.00 C ATOM 749 CE3 TRP A 47 4.562 12.621 9.391 1.00 0.00 C ATOM 750 CZ2 TRP A 47 2.500 14.315 10.295 1.00 0.00 C ATOM 751 CZ3 TRP A 47 4.484 12.983 10.741 1.00 0.00 C ATOM 752 CH2 TRP A 47 3.452 13.827 11.201 1.00 0.00 C ATOM 0 H TRP A 47 4.947 9.752 7.576 1.00 0.00 H new ATOM 0 HA TRP A 47 2.819 10.460 5.647 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.255 12.139 6.364 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.114 12.483 5.079 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.870 13.696 5.720 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.002 14.864 7.852 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.368 11.984 9.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.716 14.976 10.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 5.222 12.612 11.437 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.395 14.096 12.245 1.00 0.00 H new ATOM 763 N HIS A 48 4.167 9.083 4.062 1.00 0.00 N ATOM 764 CA HIS A 48 4.898 8.326 3.039 1.00 0.00 C ATOM 765 C HIS A 48 4.940 9.099 1.710 1.00 0.00 C ATOM 766 O HIS A 48 3.917 9.316 1.055 1.00 0.00 O ATOM 767 CB HIS A 48 4.292 6.927 2.833 1.00 0.00 C ATOM 768 CG HIS A 48 4.089 6.123 4.097 1.00 0.00 C ATOM 769 ND1 HIS A 48 5.069 5.512 4.851 1.00 0.00 N ATOM 770 CD2 HIS A 48 2.887 5.817 4.680 1.00 0.00 C ATOM 771 CE1 HIS A 48 4.473 4.854 5.860 1.00 0.00 C ATOM 772 NE2 HIS A 48 3.137 5.010 5.800 1.00 0.00 N ATOM 0 H HIS A 48 3.154 8.987 3.990 1.00 0.00 H new ATOM 0 HA HIS A 48 5.920 8.197 3.395 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.330 7.035 2.331 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.940 6.363 2.162 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.916 6.141 4.337 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.993 4.281 6.613 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.446 4.620 6.440 1.00 0.00 H new ATOM 780 N ASP A 49 6.145 9.491 1.297 1.00 0.00 N ATOM 781 CA ASP A 49 6.430 10.092 -0.011 1.00 0.00 C ATOM 782 C ASP A 49 7.053 9.031 -0.920 1.00 0.00 C ATOM 783 O ASP A 49 8.200 8.611 -0.732 1.00 0.00 O ATOM 784 CB ASP A 49 7.362 11.305 0.149 1.00 0.00 C ATOM 785 CG ASP A 49 7.948 11.784 -1.195 1.00 0.00 C ATOM 786 OD1 ASP A 49 7.204 11.849 -2.204 1.00 0.00 O ATOM 787 OD2 ASP A 49 9.167 12.083 -1.244 1.00 0.00 O ATOM 0 H ASP A 49 6.977 9.397 1.879 1.00 0.00 H new ATOM 0 HA ASP A 49 5.505 10.447 -0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.811 12.123 0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.177 11.046 0.825 1.00 0.00 H new ATOM 792 N ARG A 50 6.263 8.565 -1.890 1.00 0.00 N ATOM 793 CA ARG A 50 6.652 7.520 -2.845 1.00 0.00 C ATOM 794 C ARG A 50 7.540 8.043 -3.973 1.00 0.00 C ATOM 795 O ARG A 50 8.283 7.278 -4.590 1.00 0.00 O ATOM 796 CB ARG A 50 5.381 6.917 -3.431 1.00 0.00 C ATOM 797 CG ARG A 50 4.409 6.368 -2.371 1.00 0.00 C ATOM 798 CD ARG A 50 5.029 5.338 -1.415 1.00 0.00 C ATOM 799 NE ARG A 50 5.591 4.181 -2.147 1.00 0.00 N ATOM 800 CZ ARG A 50 6.176 3.113 -1.640 1.00 0.00 C ATOM 801 NH1 ARG A 50 6.288 2.917 -0.359 1.00 0.00 N ATOM 802 NH2 ARG A 50 6.657 2.212 -2.445 1.00 0.00 N ATOM 0 H ARG A 50 5.315 8.910 -2.038 1.00 0.00 H new ATOM 0 HA ARG A 50 7.239 6.774 -2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.869 7.676 -4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.653 6.112 -4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.020 7.201 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.559 5.910 -2.877 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.814 5.813 -0.827 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.271 4.991 -0.713 1.00 0.00 H new ATOM 0 HE ARG A 50 5.517 4.213 -3.164 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.916 3.604 0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.748 2.076 -0.010 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.579 2.336 -3.454 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.112 1.381 -2.067 1.00 0.00 H new ATOM 816 N GLY A 51 7.438 9.338 -4.254 1.00 0.00 N ATOM 817 CA GLY A 51 8.297 10.071 -5.183 1.00 0.00 C ATOM 818 C GLY A 51 7.845 10.029 -6.643 1.00 0.00 C ATOM 819 O GLY A 51 7.861 11.067 -7.299 1.00 0.00 O ATOM 0 H GLY A 51 6.727 9.931 -3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.349 11.112 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.307 9.666 -5.118 1.00 0.00 H new ATOM 823 N GLU A 52 7.442 8.855 -7.155 1.00 0.00 N ATOM 824 CA GLU A 52 7.142 8.614 -8.580 1.00 0.00 C ATOM 825 C GLU A 52 6.777 7.150 -8.882 1.00 0.00 C ATOM 826 O GLU A 52 7.626 6.274 -9.058 1.00 0.00 O ATOM 827 CB GLU A 52 8.261 9.097 -9.520 1.00 0.00 C ATOM 828 CG GLU A 52 9.685 8.677 -9.127 1.00 0.00 C ATOM 829 CD GLU A 52 10.730 9.086 -10.183 1.00 0.00 C ATOM 830 OE1 GLU A 52 10.662 10.217 -10.726 1.00 0.00 O ATOM 831 OE2 GLU A 52 11.654 8.285 -10.475 1.00 0.00 O ATOM 0 H GLU A 52 7.312 8.025 -6.577 1.00 0.00 H new ATOM 0 HA GLU A 52 6.258 9.219 -8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.055 8.723 -10.523 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.223 10.185 -9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.943 9.130 -8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.717 7.596 -8.988 1.00 0.00 H new ATOM 838 N GLN A 53 5.474 6.890 -8.961 1.00 0.00 N ATOM 839 CA GLN A 53 4.888 5.589 -9.325 1.00 0.00 C ATOM 840 C GLN A 53 3.822 5.704 -10.432 1.00 0.00 C ATOM 841 O GLN A 53 3.378 6.796 -10.780 1.00 0.00 O ATOM 842 CB GLN A 53 4.302 4.954 -8.062 1.00 0.00 C ATOM 843 CG GLN A 53 5.369 4.864 -6.954 1.00 0.00 C ATOM 844 CD GLN A 53 4.893 4.214 -5.676 1.00 0.00 C ATOM 845 OE1 GLN A 53 5.599 3.491 -4.983 1.00 0.00 O ATOM 846 NE2 GLN A 53 3.739 4.593 -5.190 1.00 0.00 N ATOM 0 H GLN A 53 4.767 7.600 -8.768 1.00 0.00 H new ATOM 0 HA GLN A 53 5.675 4.957 -9.737 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.455 5.544 -7.711 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.924 3.958 -8.291 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.223 4.304 -7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.723 5.869 -6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.127 5.195 -5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.452 4.287 -4.261 1.00 0.00 H new ATOM 855 N GLU A 54 3.428 4.565 -11.003 1.00 0.00 N ATOM 856 CA GLU A 54 2.478 4.456 -12.121 1.00 0.00 C ATOM 857 C GLU A 54 1.045 4.925 -11.778 1.00 0.00 C ATOM 858 O GLU A 54 0.265 4.198 -11.163 1.00 0.00 O ATOM 859 CB GLU A 54 2.495 3.026 -12.705 1.00 0.00 C ATOM 860 CG GLU A 54 2.455 1.875 -11.685 1.00 0.00 C ATOM 861 CD GLU A 54 2.310 0.510 -12.386 1.00 0.00 C ATOM 862 OE1 GLU A 54 3.185 0.141 -13.209 1.00 0.00 O ATOM 863 OE2 GLU A 54 1.331 -0.223 -12.107 1.00 0.00 O ATOM 0 H GLU A 54 3.772 3.657 -10.691 1.00 0.00 H new ATOM 0 HA GLU A 54 2.821 5.152 -12.887 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.642 2.920 -13.375 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.393 2.915 -13.312 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.366 1.884 -11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.622 2.024 -10.998 1.00 0.00 H new ATOM 870 N VAL A 55 0.689 6.145 -12.195 1.00 0.00 N ATOM 871 CA VAL A 55 -0.633 6.761 -11.985 1.00 0.00 C ATOM 872 C VAL A 55 -1.590 6.493 -13.155 1.00 0.00 C ATOM 873 O VAL A 55 -1.219 6.534 -14.330 1.00 0.00 O ATOM 874 CB VAL A 55 -0.507 8.281 -11.750 1.00 0.00 C ATOM 875 CG1 VAL A 55 -1.819 8.921 -11.275 1.00 0.00 C ATOM 876 CG2 VAL A 55 0.520 8.587 -10.658 1.00 0.00 C ATOM 0 H VAL A 55 1.331 6.753 -12.704 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.054 6.296 -11.094 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.213 8.690 -12.717 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.669 9.990 -11.126 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.593 8.764 -12.026 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.127 8.464 -10.335 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.588 9.665 -10.514 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.211 8.115 -9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.494 8.199 -10.956 1.00 0.00 H new ATOM 886 N PHE A 56 -2.863 6.298 -12.821 1.00 0.00 N ATOM 887 CA PHE A 56 -3.974 6.010 -13.723 1.00 0.00 C ATOM 888 C PHE A 56 -5.122 7.003 -13.482 1.00 0.00 C ATOM 889 O PHE A 56 -5.410 7.388 -12.344 1.00 0.00 O ATOM 890 CB PHE A 56 -4.444 4.565 -13.484 1.00 0.00 C ATOM 891 CG PHE A 56 -3.400 3.504 -13.796 1.00 0.00 C ATOM 892 CD1 PHE A 56 -2.363 3.242 -12.882 1.00 0.00 C ATOM 893 CD2 PHE A 56 -3.453 2.788 -15.007 1.00 0.00 C ATOM 894 CE1 PHE A 56 -1.365 2.303 -13.190 1.00 0.00 C ATOM 895 CE2 PHE A 56 -2.456 1.844 -15.313 1.00 0.00 C ATOM 896 CZ PHE A 56 -1.403 1.612 -14.411 1.00 0.00 C ATOM 0 H PHE A 56 -3.166 6.340 -11.848 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.650 6.117 -14.758 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.748 4.463 -12.442 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.328 4.378 -14.094 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.334 3.766 -11.938 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.261 2.964 -15.702 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.568 2.113 -12.487 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.500 1.296 -16.243 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.625 0.904 -14.657 1.00 0.00 H new ATOM 906 N GLU A 57 -5.783 7.429 -14.560 1.00 0.00 N ATOM 907 CA GLU A 57 -6.968 8.287 -14.491 1.00 0.00 C ATOM 908 C GLU A 57 -8.130 7.564 -13.791 1.00 0.00 C ATOM 909 O GLU A 57 -8.455 6.426 -14.133 1.00 0.00 O ATOM 910 CB GLU A 57 -7.372 8.702 -15.917 1.00 0.00 C ATOM 911 CG GLU A 57 -8.314 9.912 -15.917 1.00 0.00 C ATOM 912 CD GLU A 57 -8.590 10.379 -17.356 1.00 0.00 C ATOM 913 OE1 GLU A 57 -9.500 9.828 -18.017 1.00 0.00 O ATOM 914 OE2 GLU A 57 -7.889 11.301 -17.838 1.00 0.00 O ATOM 0 H GLU A 57 -5.509 7.187 -15.512 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.732 9.176 -13.906 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.477 8.939 -16.493 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.859 7.863 -16.415 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.252 9.650 -15.427 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.871 10.726 -15.343 1.00 0.00 H new ATOM 921 N TYR A 58 -8.789 8.237 -12.847 1.00 0.00 N ATOM 922 CA TYR A 58 -9.949 7.730 -12.122 1.00 0.00 C ATOM 923 C TYR A 58 -11.100 8.744 -12.257 1.00 0.00 C ATOM 924 O TYR A 58 -11.398 9.537 -11.362 1.00 0.00 O ATOM 925 CB TYR A 58 -9.525 7.344 -10.690 1.00 0.00 C ATOM 926 CG TYR A 58 -10.620 6.918 -9.724 1.00 0.00 C ATOM 927 CD1 TYR A 58 -11.876 6.494 -10.197 1.00 0.00 C ATOM 928 CD2 TYR A 58 -10.360 6.904 -8.334 1.00 0.00 C ATOM 929 CE1 TYR A 58 -12.871 6.092 -9.295 1.00 0.00 C ATOM 930 CE2 TYR A 58 -11.366 6.517 -7.425 1.00 0.00 C ATOM 931 CZ TYR A 58 -12.631 6.128 -7.912 1.00 0.00 C ATOM 932 OH TYR A 58 -13.636 5.787 -7.068 1.00 0.00 O ATOM 0 H TYR A 58 -8.520 9.178 -12.559 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.344 6.805 -12.543 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.804 6.530 -10.761 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.003 8.195 -10.253 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.074 6.478 -11.259 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.386 7.191 -7.967 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.827 5.753 -9.666 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.169 6.518 -6.363 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.220 5.132 -7.503 1.00 0.00 H new ATOM 942 N CYS A 59 -11.712 8.753 -13.445 1.00 0.00 N ATOM 943 CA CYS A 59 -12.912 9.535 -13.747 1.00 0.00 C ATOM 944 C CYS A 59 -14.181 8.810 -13.269 1.00 0.00 C ATOM 945 O CYS A 59 -14.276 7.582 -13.356 1.00 0.00 O ATOM 946 CB CYS A 59 -12.960 9.760 -15.266 1.00 0.00 C ATOM 947 SG CYS A 59 -14.241 10.975 -15.705 1.00 0.00 S ATOM 0 H CYS A 59 -11.379 8.205 -14.239 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.871 10.490 -13.223 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.988 10.108 -15.617 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -13.161 8.815 -15.771 1.00 0.00 H new ATOM 0 HG CYS A 59 -14.255 11.144 -16.994 1.00 0.00 H new ATOM 953 N LEU A 60 -15.194 9.571 -12.844 1.00 0.00 N ATOM 954 CA LEU A 60 -16.501 9.059 -12.416 1.00 0.00 C ATOM 955 C LEU A 60 -17.642 9.488 -13.347 1.00 0.00 C ATOM 956 O LEU A 60 -17.523 10.424 -14.138 1.00 0.00 O ATOM 957 CB LEU A 60 -16.768 9.526 -10.970 1.00 0.00 C ATOM 958 CG LEU A 60 -16.922 8.415 -9.919 1.00 0.00 C ATOM 959 CD1 LEU A 60 -15.777 7.417 -9.883 1.00 0.00 C ATOM 960 CD2 LEU A 60 -16.981 9.049 -8.530 1.00 0.00 C ATOM 0 H LEU A 60 -15.127 10.587 -12.786 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.470 7.970 -12.461 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.950 10.178 -10.663 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.675 10.130 -10.966 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.830 7.879 -10.196 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.970 6.670 -9.113 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.692 6.926 -10.852 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.847 7.939 -9.658 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.090 8.268 -7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.062 9.605 -8.345 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.833 9.727 -8.475 1.00 0.00 H new ATOM 972 N GLU A 61 -18.769 8.787 -13.214 1.00 0.00 N ATOM 973 CA GLU A 61 -19.966 8.938 -14.063 1.00 0.00 C ATOM 974 C GLU A 61 -20.653 10.312 -13.901 1.00 0.00 C ATOM 975 O GLU A 61 -21.339 10.781 -14.812 1.00 0.00 O ATOM 976 CB GLU A 61 -20.954 7.811 -13.711 1.00 0.00 C ATOM 977 CG GLU A 61 -20.424 6.386 -13.966 1.00 0.00 C ATOM 978 CD GLU A 61 -21.034 5.756 -15.233 1.00 0.00 C ATOM 979 OE1 GLU A 61 -20.632 6.128 -16.362 1.00 0.00 O ATOM 980 OE2 GLU A 61 -21.917 4.872 -15.110 1.00 0.00 O ATOM 0 H GLU A 61 -18.884 8.075 -12.492 1.00 0.00 H new ATOM 0 HA GLU A 61 -19.651 8.875 -15.105 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -21.226 7.900 -12.659 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -21.867 7.953 -14.289 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -19.339 6.416 -14.064 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -20.649 5.757 -13.105 1.00 0.00 H new ATOM 987 N ASP A 62 -20.457 10.972 -12.752 1.00 0.00 N ATOM 988 CA ASP A 62 -20.978 12.320 -12.457 1.00 0.00 C ATOM 989 C ASP A 62 -20.105 13.448 -13.039 1.00 0.00 C ATOM 990 O ASP A 62 -20.619 14.520 -13.370 1.00 0.00 O ATOM 991 CB ASP A 62 -21.089 12.484 -10.933 1.00 0.00 C ATOM 992 CG ASP A 62 -21.638 13.860 -10.521 1.00 0.00 C ATOM 993 OD1 ASP A 62 -22.859 14.102 -10.684 1.00 0.00 O ATOM 994 OD2 ASP A 62 -20.859 14.697 -10.004 1.00 0.00 O ATOM 0 H ASP A 62 -19.919 10.577 -11.981 1.00 0.00 H new ATOM 0 HA ASP A 62 -21.954 12.406 -12.934 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.738 11.704 -10.534 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -20.106 12.341 -10.484 1.00 0.00 H new ATOM 999 N GLY A 63 -18.790 13.215 -13.170 1.00 0.00 N ATOM 1000 CA GLY A 63 -17.814 14.200 -13.659 1.00 0.00 C ATOM 1001 C GLY A 63 -16.660 14.493 -12.692 1.00 0.00 C ATOM 1002 O GLY A 63 -15.786 15.298 -13.018 1.00 0.00 O ATOM 0 H GLY A 63 -18.367 12.317 -12.934 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.399 13.843 -14.601 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.336 15.133 -13.874 1.00 0.00 H new ATOM 1006 N SER A 64 -16.634 13.865 -11.509 1.00 0.00 N ATOM 1007 CA SER A 64 -15.483 13.902 -10.593 1.00 0.00 C ATOM 1008 C SER A 64 -14.249 13.249 -11.234 1.00 0.00 C ATOM 1009 O SER A 64 -14.358 12.198 -11.872 1.00 0.00 O ATOM 1010 CB SER A 64 -15.805 13.181 -9.273 1.00 0.00 C ATOM 1011 OG SER A 64 -17.010 13.658 -8.692 1.00 0.00 O ATOM 0 H SER A 64 -17.416 13.313 -11.157 1.00 0.00 H new ATOM 0 HA SER A 64 -15.268 14.950 -10.386 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.888 12.110 -9.455 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.983 13.322 -8.572 1.00 0.00 H new ATOM 0 HG SER A 64 -17.183 13.176 -7.856 1.00 0.00 H new ATOM 1017 N LEU A 65 -13.069 13.843 -11.023 1.00 0.00 N ATOM 1018 CA LEU A 65 -11.777 13.365 -11.533 1.00 0.00 C ATOM 1019 C LEU A 65 -10.798 13.162 -10.366 1.00 0.00 C ATOM 1020 O LEU A 65 -10.645 14.029 -9.499 1.00 0.00 O ATOM 1021 CB LEU A 65 -11.193 14.375 -12.549 1.00 0.00 C ATOM 1022 CG LEU A 65 -11.462 14.156 -14.051 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -10.873 12.840 -14.562 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -12.941 14.228 -14.418 1.00 0.00 C ATOM 0 H LEU A 65 -12.983 14.698 -10.474 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.929 12.412 -12.040 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.571 15.363 -12.287 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.113 14.399 -12.407 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.955 14.985 -14.545 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.090 12.733 -15.625 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.794 12.841 -14.410 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.315 12.007 -14.016 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -13.058 14.065 -15.489 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.489 13.460 -13.872 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.334 15.210 -14.155 1.00 0.00 H new ATOM 1036 N ILE A 66 -10.127 12.011 -10.370 1.00 0.00 N ATOM 1037 CA ILE A 66 -9.196 11.533 -9.340 1.00 0.00 C ATOM 1038 C ILE A 66 -7.973 10.933 -10.058 1.00 0.00 C ATOM 1039 O ILE A 66 -8.081 10.469 -11.199 1.00 0.00 O ATOM 1040 CB ILE A 66 -9.899 10.496 -8.414 1.00 0.00 C ATOM 1041 CG1 ILE A 66 -11.258 10.987 -7.852 1.00 0.00 C ATOM 1042 CG2 ILE A 66 -8.977 10.088 -7.248 1.00 0.00 C ATOM 1043 CD1 ILE A 66 -12.126 9.865 -7.269 1.00 0.00 C ATOM 0 H ILE A 66 -10.222 11.345 -11.137 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.870 12.351 -8.697 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.107 9.632 -9.045 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.073 11.731 -7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.811 11.486 -8.648 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.490 9.363 -6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.065 9.642 -7.644 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.724 10.969 -6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.060 10.284 -6.895 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.342 9.132 -8.046 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.593 9.380 -6.451 1.00 0.00 H new ATOM 1055 N ARG A 67 -6.801 10.942 -9.413 1.00 0.00 N ATOM 1056 CA ARG A 67 -5.543 10.398 -9.952 1.00 0.00 C ATOM 1057 C ARG A 67 -4.775 9.639 -8.865 1.00 0.00 C ATOM 1058 O ARG A 67 -4.366 10.219 -7.858 1.00 0.00 O ATOM 1059 CB ARG A 67 -4.728 11.537 -10.590 1.00 0.00 C ATOM 1060 CG ARG A 67 -5.375 11.968 -11.928 1.00 0.00 C ATOM 1061 CD ARG A 67 -4.494 12.932 -12.718 1.00 0.00 C ATOM 1062 NE ARG A 67 -5.014 13.130 -14.094 1.00 0.00 N ATOM 1063 CZ ARG A 67 -4.456 13.843 -15.060 1.00 0.00 C ATOM 1064 NH1 ARG A 67 -3.399 14.578 -14.854 1.00 0.00 N ATOM 1065 NH2 ARG A 67 -4.945 13.815 -16.271 1.00 0.00 N ATOM 0 H ARG A 67 -6.695 11.337 -8.478 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.752 9.670 -10.736 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.681 12.387 -9.909 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.703 11.209 -10.762 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.574 11.084 -12.533 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.337 12.440 -11.728 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.447 13.891 -12.203 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.476 12.545 -12.763 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.895 12.668 -14.319 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.977 14.616 -13.926 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.994 15.115 -15.621 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.762 13.241 -16.478 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.509 14.367 -17.010 1.00 0.00 H new ATOM 1079 N ALA A 68 -4.615 8.333 -9.073 1.00 0.00 N ATOM 1080 CA ALA A 68 -4.029 7.391 -8.115 1.00 0.00 C ATOM 1081 C ALA A 68 -3.285 6.236 -8.810 1.00 0.00 C ATOM 1082 O ALA A 68 -3.340 6.076 -10.030 1.00 0.00 O ATOM 1083 CB ALA A 68 -5.157 6.847 -7.231 1.00 0.00 C ATOM 0 H ALA A 68 -4.899 7.884 -9.943 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.287 7.917 -7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.745 6.142 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.635 7.672 -6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.894 6.340 -7.853 1.00 0.00 H new ATOM 1089 N THR A 69 -2.589 5.421 -8.023 1.00 0.00 N ATOM 1090 CA THR A 69 -1.830 4.241 -8.485 1.00 0.00 C ATOM 1091 C THR A 69 -2.676 2.962 -8.409 1.00 0.00 C ATOM 1092 O THR A 69 -3.534 2.825 -7.535 1.00 0.00 O ATOM 1093 CB THR A 69 -0.561 4.043 -7.633 1.00 0.00 C ATOM 1094 OG1 THR A 69 -0.867 4.257 -6.280 1.00 0.00 O ATOM 1095 CG2 THR A 69 0.571 5.000 -7.954 1.00 0.00 C ATOM 0 H THR A 69 -2.530 5.559 -7.014 1.00 0.00 H new ATOM 0 HA THR A 69 -1.556 4.426 -9.524 1.00 0.00 H new ATOM 0 HB THR A 69 -0.233 3.028 -7.855 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.988 3.394 -5.832 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.422 4.787 -7.307 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.868 4.876 -8.996 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.238 6.025 -7.791 1.00 0.00 H new ATOM 1103 N LYS A 70 -2.389 1.978 -9.276 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.049 0.652 -9.263 1.00 0.00 C ATOM 1105 C LYS A 70 -2.819 -0.172 -7.989 1.00 0.00 C ATOM 1106 O LYS A 70 -3.559 -1.120 -7.742 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.632 -0.169 -10.497 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.621 0.020 -11.655 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.261 -0.922 -12.808 1.00 0.00 C ATOM 1110 CE LYS A 70 -4.267 -0.780 -13.954 1.00 0.00 C ATOM 1111 NZ LYS A 70 -4.027 -1.806 -15.004 1.00 0.00 N ATOM 0 H LYS A 70 -1.689 2.075 -10.012 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.117 0.868 -9.288 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.634 0.132 -10.816 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.577 -1.225 -10.232 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.637 -0.181 -11.314 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.599 1.054 -11.998 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.257 -0.697 -13.168 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.249 -1.952 -12.453 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.281 -0.881 -13.567 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.189 0.216 -14.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.524 -1.533 -15.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.007 -1.876 -15.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.382 -2.727 -14.677 1.00 0.00 H new ATOM 1125 N ASP A 71 -1.823 0.180 -7.180 1.00 0.00 N ATOM 1126 CA ASP A 71 -1.522 -0.473 -5.903 1.00 0.00 C ATOM 1127 C ASP A 71 -2.302 0.142 -4.731 1.00 0.00 C ATOM 1128 O ASP A 71 -2.401 -0.489 -3.676 1.00 0.00 O ATOM 1129 CB ASP A 71 -0.016 -0.380 -5.621 1.00 0.00 C ATOM 1130 CG ASP A 71 0.799 -1.329 -6.510 1.00 0.00 C ATOM 1131 OD1 ASP A 71 0.785 -2.556 -6.249 1.00 0.00 O ATOM 1132 OD2 ASP A 71 1.474 -0.855 -7.456 1.00 0.00 O ATOM 0 H ASP A 71 -1.185 0.946 -7.397 1.00 0.00 H new ATOM 0 HA ASP A 71 -1.830 -1.515 -5.989 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.320 0.644 -5.782 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.171 -0.616 -4.573 1.00 0.00 H new ATOM 1137 N HIS A 72 -2.857 1.354 -4.891 1.00 0.00 N ATOM 1138 CA HIS A 72 -3.630 1.996 -3.836 1.00 0.00 C ATOM 1139 C HIS A 72 -5.033 1.367 -3.803 1.00 0.00 C ATOM 1140 O HIS A 72 -5.642 1.126 -4.854 1.00 0.00 O ATOM 1141 CB HIS A 72 -3.711 3.506 -4.088 1.00 0.00 C ATOM 1142 CG HIS A 72 -4.085 4.279 -2.847 1.00 0.00 C ATOM 1143 ND1 HIS A 72 -3.220 4.650 -1.849 1.00 0.00 N flip ATOM 1144 CD2 HIS A 72 -5.341 4.679 -2.450 1.00 0.00 C flip ATOM 1145 CE1 HIS A 72 -3.936 5.309 -0.853 1.00 0.00 C flip ATOM 1146 NE2 HIS A 72 -5.217 5.276 -1.249 1.00 0.00 N flip ATOM 0 H HIS A 72 -2.780 1.904 -5.747 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.146 1.845 -2.871 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.749 3.862 -4.458 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.445 3.702 -4.869 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -2.216 4.472 -1.838 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.259 4.539 -3.001 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.542 5.753 0.049 1.00 0.00 H new ATOM 1154 N LYS A 73 -5.556 1.093 -2.608 1.00 0.00 N ATOM 1155 CA LYS A 73 -6.872 0.478 -2.405 1.00 0.00 C ATOM 1156 C LYS A 73 -7.931 1.557 -2.173 1.00 0.00 C ATOM 1157 O LYS A 73 -7.635 2.688 -1.791 1.00 0.00 O ATOM 1158 CB LYS A 73 -6.803 -0.523 -1.234 1.00 0.00 C ATOM 1159 CG LYS A 73 -5.886 -1.719 -1.546 1.00 0.00 C ATOM 1160 CD LYS A 73 -5.500 -2.501 -0.283 1.00 0.00 C ATOM 1161 CE LYS A 73 -4.346 -3.462 -0.612 1.00 0.00 C ATOM 1162 NZ LYS A 73 -3.789 -4.098 0.611 1.00 0.00 N ATOM 0 H LYS A 73 -5.069 1.296 -1.735 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.161 -0.073 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.440 -0.012 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.806 -0.885 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.389 -2.387 -2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.982 -1.362 -2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.201 -1.813 0.507 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.359 -3.060 0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.700 -4.235 -1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.556 -2.917 -1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.013 -4.738 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.428 -3.362 1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.536 -4.639 1.092 1.00 0.00 H new ATOM 1176 N PHE A 74 -9.193 1.200 -2.374 1.00 0.00 N ATOM 1177 CA PHE A 74 -10.321 2.105 -2.143 1.00 0.00 C ATOM 1178 C PHE A 74 -11.499 1.321 -1.552 1.00 0.00 C ATOM 1179 O PHE A 74 -11.803 0.213 -2.003 1.00 0.00 O ATOM 1180 CB PHE A 74 -10.685 2.815 -3.454 1.00 0.00 C ATOM 1181 CG PHE A 74 -9.666 3.817 -3.980 1.00 0.00 C ATOM 1182 CD1 PHE A 74 -8.575 3.404 -4.776 1.00 0.00 C ATOM 1183 CD2 PHE A 74 -9.825 5.185 -3.686 1.00 0.00 C ATOM 1184 CE1 PHE A 74 -7.657 4.352 -5.263 1.00 0.00 C ATOM 1185 CE2 PHE A 74 -8.905 6.131 -4.165 1.00 0.00 C ATOM 1186 CZ PHE A 74 -7.825 5.714 -4.959 1.00 0.00 C ATOM 0 H PHE A 74 -9.468 0.274 -2.702 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.050 2.874 -1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.848 2.057 -4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.633 3.333 -3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.445 2.358 -5.011 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.663 5.509 -3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.823 4.033 -5.871 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.028 7.176 -3.923 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.122 6.441 -5.337 1.00 0.00 H new ATOM 1196 N MET A 75 -12.125 1.858 -0.500 1.00 0.00 N ATOM 1197 CA MET A 75 -13.193 1.152 0.219 1.00 0.00 C ATOM 1198 C MET A 75 -14.523 1.212 -0.553 1.00 0.00 C ATOM 1199 O MET A 75 -15.154 2.265 -0.688 1.00 0.00 O ATOM 1200 CB MET A 75 -13.357 1.676 1.651 1.00 0.00 C ATOM 1201 CG MET A 75 -14.060 0.635 2.528 1.00 0.00 C ATOM 1202 SD MET A 75 -14.713 1.288 4.090 1.00 0.00 S ATOM 1203 CE MET A 75 -13.323 1.001 5.210 1.00 0.00 C ATOM 0 H MET A 75 -11.910 2.782 -0.126 1.00 0.00 H new ATOM 0 HA MET A 75 -12.897 0.105 0.289 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.380 1.914 2.071 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.934 2.601 1.642 1.00 0.00 H new ATOM 0 HG2 MET A 75 -14.880 0.195 1.961 1.00 0.00 H new ATOM 0 HG3 MET A 75 -13.358 -0.169 2.750 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.581 1.354 6.208 1.00 0.00 H new ATOM 0 HE2 MET A 75 -13.101 -0.065 5.248 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.448 1.541 4.850 1.00 0.00 H new ATOM 1213 N THR A 76 -14.943 0.055 -1.060 1.00 0.00 N ATOM 1214 CA THR A 76 -16.216 -0.137 -1.769 1.00 0.00 C ATOM 1215 C THR A 76 -17.434 0.078 -0.870 1.00 0.00 C ATOM 1216 O THR A 76 -17.323 0.091 0.358 1.00 0.00 O ATOM 1217 CB THR A 76 -16.294 -1.538 -2.390 1.00 0.00 C ATOM 1218 OG1 THR A 76 -16.006 -2.540 -1.437 1.00 0.00 O ATOM 1219 CG2 THR A 76 -15.316 -1.655 -3.546 1.00 0.00 C ATOM 0 H THR A 76 -14.395 -0.802 -0.989 1.00 0.00 H new ATOM 0 HA THR A 76 -16.238 0.619 -2.554 1.00 0.00 H new ATOM 0 HB THR A 76 -17.313 -1.681 -2.751 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.060 -2.491 -1.186 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.381 -2.654 -3.978 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.561 -0.914 -4.307 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.303 -1.482 -3.184 1.00 0.00 H new ATOM 1227 N VAL A 77 -18.619 0.180 -1.476 1.00 0.00 N ATOM 1228 CA VAL A 77 -19.911 0.236 -0.764 1.00 0.00 C ATOM 1229 C VAL A 77 -20.144 -0.905 0.238 1.00 0.00 C ATOM 1230 O VAL A 77 -20.840 -0.709 1.235 1.00 0.00 O ATOM 1231 CB VAL A 77 -21.101 0.292 -1.741 1.00 0.00 C ATOM 1232 CG1 VAL A 77 -21.097 1.610 -2.515 1.00 0.00 C ATOM 1233 CG2 VAL A 77 -21.135 -0.883 -2.726 1.00 0.00 C ATOM 0 H VAL A 77 -18.716 0.227 -2.490 1.00 0.00 H new ATOM 0 HA VAL A 77 -19.850 1.159 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 77 -21.999 0.221 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -21.944 1.632 -3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -21.174 2.443 -1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -20.170 1.696 -3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -21.998 -0.781 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -20.222 -0.885 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -21.209 -1.819 -2.173 1.00 0.00 H new ATOM 1243 N ASP A 78 -19.555 -2.083 0.002 1.00 0.00 N ATOM 1244 CA ASP A 78 -19.629 -3.237 0.910 1.00 0.00 C ATOM 1245 C ASP A 78 -18.587 -3.191 2.049 1.00 0.00 C ATOM 1246 O ASP A 78 -18.674 -3.984 2.992 1.00 0.00 O ATOM 1247 CB ASP A 78 -19.465 -4.533 0.100 1.00 0.00 C ATOM 1248 CG ASP A 78 -20.660 -4.788 -0.833 1.00 0.00 C ATOM 1249 OD1 ASP A 78 -21.779 -5.049 -0.326 1.00 0.00 O ATOM 1250 OD2 ASP A 78 -20.482 -4.758 -2.074 1.00 0.00 O ATOM 0 H ASP A 78 -19.005 -2.266 -0.837 1.00 0.00 H new ATOM 0 HA ASP A 78 -20.608 -3.203 1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -18.550 -4.478 -0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -19.353 -5.375 0.783 1.00 0.00 H new ATOM 1255 N GLY A 79 -17.597 -2.289 1.979 1.00 0.00 N ATOM 1256 CA GLY A 79 -16.548 -2.133 2.988 1.00 0.00 C ATOM 1257 C GLY A 79 -15.243 -2.867 2.653 1.00 0.00 C ATOM 1258 O GLY A 79 -14.292 -2.786 3.433 1.00 0.00 O ATOM 0 H GLY A 79 -17.505 -1.635 1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.334 -1.072 3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -16.922 -2.497 3.945 1.00 0.00 H new ATOM 1262 N GLN A 80 -15.163 -3.575 1.514 1.00 0.00 N ATOM 1263 CA GLN A 80 -13.927 -4.215 1.071 1.00 0.00 C ATOM 1264 C GLN A 80 -12.979 -3.163 0.492 1.00 0.00 C ATOM 1265 O GLN A 80 -13.399 -2.295 -0.278 1.00 0.00 O ATOM 1266 CB GLN A 80 -14.224 -5.300 0.024 1.00 0.00 C ATOM 1267 CG GLN A 80 -15.024 -6.477 0.603 1.00 0.00 C ATOM 1268 CD GLN A 80 -15.014 -7.673 -0.349 1.00 0.00 C ATOM 1269 OE1 GLN A 80 -14.019 -8.376 -0.494 1.00 0.00 O ATOM 1270 NE2 GLN A 80 -16.099 -7.955 -1.040 1.00 0.00 N ATOM 0 H GLN A 80 -15.952 -3.715 0.883 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.451 -4.691 1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.781 -4.859 -0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -13.285 -5.671 -0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.601 -6.770 1.564 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -16.052 -6.165 0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -16.936 -7.382 -0.932 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -16.103 -8.747 -1.683 1.00 0.00 H new ATOM 1279 N MET A 81 -11.698 -3.280 0.838 1.00 0.00 N ATOM 1280 CA MET A 81 -10.607 -2.411 0.387 1.00 0.00 C ATOM 1281 C MET A 81 -9.753 -3.178 -0.628 1.00 0.00 C ATOM 1282 O MET A 81 -8.921 -4.014 -0.270 1.00 0.00 O ATOM 1283 CB MET A 81 -9.832 -1.857 1.600 1.00 0.00 C ATOM 1284 CG MET A 81 -9.188 -2.914 2.517 1.00 0.00 C ATOM 1285 SD MET A 81 -9.189 -2.500 4.285 1.00 0.00 S ATOM 1286 CE MET A 81 -10.939 -2.771 4.670 1.00 0.00 C ATOM 0 H MET A 81 -11.376 -4.015 1.468 1.00 0.00 H new ATOM 0 HA MET A 81 -10.986 -1.530 -0.131 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.049 -1.192 1.235 1.00 0.00 H new ATOM 0 HB3 MET A 81 -10.513 -1.250 2.197 1.00 0.00 H new ATOM 0 HG2 MET A 81 -9.713 -3.860 2.380 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.158 -3.072 2.197 1.00 0.00 H new ATOM 0 HE1 MET A 81 -11.099 -2.647 5.741 1.00 0.00 H new ATOM 0 HE2 MET A 81 -11.547 -2.049 4.126 1.00 0.00 H new ATOM 0 HE3 MET A 81 -11.224 -3.781 4.375 1.00 0.00 H new ATOM 1296 N LEU A 82 -10.014 -2.922 -1.912 1.00 0.00 N ATOM 1297 CA LEU A 82 -9.410 -3.623 -3.052 1.00 0.00 C ATOM 1298 C LEU A 82 -8.683 -2.604 -3.950 1.00 0.00 C ATOM 1299 O LEU A 82 -9.070 -1.428 -3.957 1.00 0.00 O ATOM 1300 CB LEU A 82 -10.457 -4.440 -3.861 1.00 0.00 C ATOM 1301 CG LEU A 82 -11.755 -4.899 -3.150 1.00 0.00 C ATOM 1302 CD1 LEU A 82 -12.845 -3.839 -3.288 1.00 0.00 C ATOM 1303 CD2 LEU A 82 -12.303 -6.175 -3.794 1.00 0.00 C ATOM 0 H LEU A 82 -10.673 -2.198 -2.198 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.689 -4.345 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.747 -3.842 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.957 -5.330 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.502 -5.068 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -13.749 -4.179 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.505 -2.907 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -13.060 -3.673 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -13.214 -6.480 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -12.525 -5.986 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.560 -6.969 -3.717 1.00 0.00 H new ATOM 1315 N PRO A 83 -7.639 -3.007 -4.698 1.00 0.00 N ATOM 1316 CA PRO A 83 -6.928 -2.102 -5.595 1.00 0.00 C ATOM 1317 C PRO A 83 -7.836 -1.638 -6.737 1.00 0.00 C ATOM 1318 O PRO A 83 -8.676 -2.396 -7.228 1.00 0.00 O ATOM 1319 CB PRO A 83 -5.720 -2.889 -6.108 1.00 0.00 C ATOM 1320 CG PRO A 83 -6.156 -4.349 -5.989 1.00 0.00 C ATOM 1321 CD PRO A 83 -7.071 -4.347 -4.766 1.00 0.00 C ATOM 0 HA PRO A 83 -6.610 -1.193 -5.085 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.480 -2.626 -7.138 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.830 -2.688 -5.512 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.681 -4.686 -6.883 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.303 -5.013 -5.851 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.854 -5.099 -4.862 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.513 -4.582 -3.860 1.00 0.00 H new ATOM 1329 N ILE A 84 -7.643 -0.405 -7.208 1.00 0.00 N ATOM 1330 CA ILE A 84 -8.432 0.170 -8.313 1.00 0.00 C ATOM 1331 C ILE A 84 -8.337 -0.626 -9.633 1.00 0.00 C ATOM 1332 O ILE A 84 -9.244 -0.589 -10.465 1.00 0.00 O ATOM 1333 CB ILE A 84 -8.079 1.660 -8.484 1.00 0.00 C ATOM 1334 CG1 ILE A 84 -9.107 2.317 -9.418 1.00 0.00 C ATOM 1335 CG2 ILE A 84 -6.636 1.850 -8.968 1.00 0.00 C ATOM 1336 CD1 ILE A 84 -9.149 3.837 -9.310 1.00 0.00 C ATOM 0 H ILE A 84 -6.935 0.229 -6.837 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.484 0.091 -8.038 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.130 2.156 -7.515 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.878 2.041 -10.447 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.096 1.918 -9.193 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.426 2.914 -9.076 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.949 1.416 -8.242 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.507 1.355 -9.930 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.897 4.230 -9.998 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.408 4.122 -8.290 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.172 4.247 -9.564 1.00 0.00 H new ATOM 1348 N ASP A 85 -7.263 -1.399 -9.811 1.00 0.00 N ATOM 1349 CA ASP A 85 -7.108 -2.391 -10.880 1.00 0.00 C ATOM 1350 C ASP A 85 -8.263 -3.407 -10.917 1.00 0.00 C ATOM 1351 O ASP A 85 -8.710 -3.798 -11.997 1.00 0.00 O ATOM 1352 CB ASP A 85 -5.774 -3.123 -10.687 1.00 0.00 C ATOM 1353 CG ASP A 85 -5.498 -4.133 -11.813 1.00 0.00 C ATOM 1354 OD1 ASP A 85 -5.338 -3.710 -12.983 1.00 0.00 O ATOM 1355 OD2 ASP A 85 -5.418 -5.352 -11.523 1.00 0.00 O ATOM 0 H ASP A 85 -6.451 -1.351 -9.196 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.123 -1.862 -11.833 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.964 -2.395 -10.648 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.782 -3.643 -9.729 1.00 0.00 H new ATOM 1360 N GLU A 86 -8.780 -3.785 -9.744 1.00 0.00 N ATOM 1361 CA GLU A 86 -9.922 -4.694 -9.616 1.00 0.00 C ATOM 1362 C GLU A 86 -11.255 -3.943 -9.737 1.00 0.00 C ATOM 1363 O GLU A 86 -12.164 -4.431 -10.407 1.00 0.00 O ATOM 1364 CB GLU A 86 -9.818 -5.474 -8.292 1.00 0.00 C ATOM 1365 CG GLU A 86 -10.948 -6.509 -8.144 1.00 0.00 C ATOM 1366 CD GLU A 86 -10.728 -7.548 -7.020 1.00 0.00 C ATOM 1367 OE1 GLU A 86 -9.719 -7.491 -6.275 1.00 0.00 O ATOM 1368 OE2 GLU A 86 -11.583 -8.460 -6.889 1.00 0.00 O ATOM 0 H GLU A 86 -8.413 -3.465 -8.848 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.896 -5.409 -10.438 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.854 -5.980 -8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.854 -4.776 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.883 -5.982 -7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.065 -7.037 -9.090 1.00 0.00 H new ATOM 1375 N ILE A 87 -11.381 -2.739 -9.159 1.00 0.00 N ATOM 1376 CA ILE A 87 -12.640 -1.977 -9.159 1.00 0.00 C ATOM 1377 C ILE A 87 -13.110 -1.669 -10.590 1.00 0.00 C ATOM 1378 O ILE A 87 -14.309 -1.728 -10.871 1.00 0.00 O ATOM 1379 CB ILE A 87 -12.480 -0.696 -8.306 1.00 0.00 C ATOM 1380 CG1 ILE A 87 -12.044 -1.079 -6.872 1.00 0.00 C ATOM 1381 CG2 ILE A 87 -13.785 0.116 -8.266 1.00 0.00 C ATOM 1382 CD1 ILE A 87 -11.776 0.107 -5.943 1.00 0.00 C ATOM 0 H ILE A 87 -10.615 -2.266 -8.679 1.00 0.00 H new ATOM 0 HA ILE A 87 -13.421 -2.587 -8.705 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.714 -0.071 -8.765 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -12.819 -1.703 -6.427 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.141 -1.686 -6.932 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -13.639 1.009 -7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -14.064 0.407 -9.279 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -14.579 -0.492 -7.832 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.477 -0.260 -4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.978 0.722 -6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.682 0.705 -5.846 1.00 0.00 H new ATOM 1394 N PHE A 88 -12.178 -1.402 -11.514 1.00 0.00 N ATOM 1395 CA PHE A 88 -12.521 -1.139 -12.918 1.00 0.00 C ATOM 1396 C PHE A 88 -13.047 -2.380 -13.670 1.00 0.00 C ATOM 1397 O PHE A 88 -13.928 -2.250 -14.522 1.00 0.00 O ATOM 1398 CB PHE A 88 -11.298 -0.547 -13.625 1.00 0.00 C ATOM 1399 CG PHE A 88 -11.559 -0.116 -15.061 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -12.297 1.053 -15.340 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -11.081 -0.901 -16.128 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -12.528 1.443 -16.673 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -11.303 -0.504 -17.457 1.00 0.00 C ATOM 1404 CZ PHE A 88 -12.024 0.670 -17.732 1.00 0.00 C ATOM 0 H PHE A 88 -11.179 -1.362 -11.314 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.346 -0.427 -12.926 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.945 0.314 -13.057 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.495 -1.285 -13.618 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.686 1.651 -14.529 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.541 -1.813 -15.923 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.094 2.339 -16.882 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.918 -1.103 -18.269 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.190 0.977 -18.754 1.00 0.00 H new ATOM 1414 N GLU A 89 -12.560 -3.585 -13.347 1.00 0.00 N ATOM 1415 CA GLU A 89 -13.058 -4.841 -13.940 1.00 0.00 C ATOM 1416 C GLU A 89 -14.378 -5.300 -13.312 1.00 0.00 C ATOM 1417 O GLU A 89 -15.267 -5.786 -14.017 1.00 0.00 O ATOM 1418 CB GLU A 89 -12.038 -5.979 -13.776 1.00 0.00 C ATOM 1419 CG GLU A 89 -10.861 -5.841 -14.748 1.00 0.00 C ATOM 1420 CD GLU A 89 -10.041 -7.144 -14.836 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -9.508 -7.620 -13.802 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -9.921 -7.709 -15.950 1.00 0.00 O ATOM 0 H GLU A 89 -11.811 -3.721 -12.669 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.219 -4.624 -14.996 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.664 -5.985 -12.752 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.533 -6.936 -13.940 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.235 -5.578 -15.738 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.215 -5.025 -14.424 1.00 0.00 H new ATOM 1429 N ARG A 90 -14.513 -5.142 -11.987 1.00 0.00 N ATOM 1430 CA ARG A 90 -15.737 -5.467 -11.246 1.00 0.00 C ATOM 1431 C ARG A 90 -16.862 -4.444 -11.459 1.00 0.00 C ATOM 1432 O ARG A 90 -18.013 -4.753 -11.146 1.00 0.00 O ATOM 1433 CB ARG A 90 -15.415 -5.640 -9.752 1.00 0.00 C ATOM 1434 CG ARG A 90 -14.411 -6.756 -9.411 1.00 0.00 C ATOM 1435 CD ARG A 90 -14.735 -8.128 -10.014 1.00 0.00 C ATOM 1436 NE ARG A 90 -16.137 -8.539 -9.799 1.00 0.00 N ATOM 1437 CZ ARG A 90 -16.706 -8.905 -8.661 1.00 0.00 C ATOM 1438 NH1 ARG A 90 -16.037 -9.022 -7.548 1.00 0.00 N ATOM 1439 NH2 ARG A 90 -17.984 -9.158 -8.619 1.00 0.00 N ATOM 0 H ARG A 90 -13.766 -4.781 -11.395 1.00 0.00 H new ATOM 0 HA ARG A 90 -16.115 -6.409 -11.644 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -15.024 -4.696 -9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -16.345 -5.838 -9.219 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.422 -6.451 -9.753 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -14.357 -6.856 -8.327 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -14.529 -8.106 -11.084 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.073 -8.876 -9.578 1.00 0.00 H new ATOM 0 HE ARG A 90 -16.737 -8.541 -10.624 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.036 -8.829 -7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -16.515 -9.307 -6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -18.549 -9.074 -9.464 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -18.420 -9.440 -7.741 1.00 0.00 H new ATOM 1453 N GLU A 91 -16.554 -3.261 -12.006 1.00 0.00 N ATOM 1454 CA GLU A 91 -17.491 -2.146 -12.213 1.00 0.00 C ATOM 1455 C GLU A 91 -18.189 -1.730 -10.902 1.00 0.00 C ATOM 1456 O GLU A 91 -19.383 -1.416 -10.875 1.00 0.00 O ATOM 1457 CB GLU A 91 -18.458 -2.447 -13.378 1.00 0.00 C ATOM 1458 CG GLU A 91 -17.731 -2.816 -14.681 1.00 0.00 C ATOM 1459 CD GLU A 91 -18.726 -2.945 -15.843 1.00 0.00 C ATOM 1460 OE1 GLU A 91 -18.987 -1.926 -16.527 1.00 0.00 O ATOM 1461 OE2 GLU A 91 -19.263 -4.056 -16.075 1.00 0.00 O ATOM 0 H GLU A 91 -15.611 -3.045 -12.329 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.922 -1.267 -12.517 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.119 -3.266 -13.092 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.088 -1.575 -13.554 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.987 -2.054 -14.916 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.194 -3.756 -14.550 1.00 0.00 H new ATOM 1468 N LEU A 92 -17.434 -1.769 -9.797 1.00 0.00 N ATOM 1469 CA LEU A 92 -17.918 -1.441 -8.454 1.00 0.00 C ATOM 1470 C LEU A 92 -17.702 0.036 -8.101 1.00 0.00 C ATOM 1471 O LEU A 92 -16.858 0.738 -8.661 1.00 0.00 O ATOM 1472 CB LEU A 92 -17.246 -2.353 -7.408 1.00 0.00 C ATOM 1473 CG LEU A 92 -17.729 -3.814 -7.446 1.00 0.00 C ATOM 1474 CD1 LEU A 92 -16.890 -4.650 -6.474 1.00 0.00 C ATOM 1475 CD2 LEU A 92 -19.202 -3.976 -7.055 1.00 0.00 C ATOM 0 H LEU A 92 -16.449 -2.035 -9.814 1.00 0.00 H new ATOM 0 HA LEU A 92 -18.994 -1.616 -8.444 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -16.167 -2.334 -7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -17.431 -1.946 -6.414 1.00 0.00 H new ATOM 0 HG LEU A 92 -17.617 -4.150 -8.477 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -17.229 -5.686 -6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.841 -4.605 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -17.002 -4.255 -5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -19.477 -5.030 -7.103 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -19.352 -3.607 -6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.826 -3.406 -7.744 1.00 0.00 H new ATOM 1487 N ASP A 93 -18.474 0.486 -7.120 1.00 0.00 N ATOM 1488 CA ASP A 93 -18.516 1.844 -6.587 1.00 0.00 C ATOM 1489 C ASP A 93 -18.034 1.938 -5.125 1.00 0.00 C ATOM 1490 O ASP A 93 -18.065 0.981 -4.344 1.00 0.00 O ATOM 1491 CB ASP A 93 -19.934 2.417 -6.782 1.00 0.00 C ATOM 1492 CG ASP A 93 -21.124 1.460 -6.533 1.00 0.00 C ATOM 1493 OD1 ASP A 93 -20.998 0.443 -5.813 1.00 0.00 O ATOM 1494 OD2 ASP A 93 -22.212 1.728 -7.095 1.00 0.00 O ATOM 0 H ASP A 93 -19.133 -0.129 -6.642 1.00 0.00 H new ATOM 0 HA ASP A 93 -17.807 2.454 -7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -20.046 3.275 -6.119 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -20.010 2.791 -7.803 1.00 0.00 H new ATOM 1499 N LEU A 94 -17.548 3.132 -4.763 1.00 0.00 N ATOM 1500 CA LEU A 94 -17.038 3.458 -3.425 1.00 0.00 C ATOM 1501 C LEU A 94 -18.147 3.878 -2.455 1.00 0.00 C ATOM 1502 O LEU A 94 -19.185 4.416 -2.861 1.00 0.00 O ATOM 1503 CB LEU A 94 -15.958 4.553 -3.541 1.00 0.00 C ATOM 1504 CG LEU A 94 -14.715 4.138 -4.356 1.00 0.00 C ATOM 1505 CD1 LEU A 94 -13.593 5.140 -4.092 1.00 0.00 C ATOM 1506 CD2 LEU A 94 -14.181 2.738 -4.050 1.00 0.00 C ATOM 0 H LEU A 94 -17.497 3.919 -5.410 1.00 0.00 H new ATOM 0 HA LEU A 94 -16.598 2.553 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -16.401 5.436 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -15.641 4.841 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 94 -15.037 4.127 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.709 4.856 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.916 6.136 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.352 5.144 -3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -13.308 2.538 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -13.900 2.678 -2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -14.954 1.999 -4.262 1.00 0.00 H new ATOM 1518 N MET A 95 -17.904 3.676 -1.160 1.00 0.00 N ATOM 1519 CA MET A 95 -18.782 4.181 -0.103 1.00 0.00 C ATOM 1520 C MET A 95 -18.686 5.714 0.000 1.00 0.00 C ATOM 1521 O MET A 95 -17.637 6.298 -0.276 1.00 0.00 O ATOM 1522 CB MET A 95 -18.422 3.465 1.207 1.00 0.00 C ATOM 1523 CG MET A 95 -19.367 3.800 2.370 1.00 0.00 C ATOM 1524 SD MET A 95 -19.687 2.442 3.536 1.00 0.00 S ATOM 1525 CE MET A 95 -18.009 1.818 3.816 1.00 0.00 C ATOM 0 H MET A 95 -17.095 3.159 -0.814 1.00 0.00 H new ATOM 0 HA MET A 95 -19.825 3.966 -0.333 1.00 0.00 H new ATOM 0 HB2 MET A 95 -18.435 2.388 1.038 1.00 0.00 H new ATOM 0 HB3 MET A 95 -17.403 3.732 1.489 1.00 0.00 H new ATOM 0 HG2 MET A 95 -18.949 4.640 2.924 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.319 4.133 1.957 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.009 1.145 4.673 1.00 0.00 H new ATOM 0 HE2 MET A 95 -17.669 1.279 2.932 1.00 0.00 H new ATOM 0 HE3 MET A 95 -17.338 2.654 4.012 1.00 0.00 H new ATOM 1535 N ARG A 96 -19.793 6.361 0.393 1.00 0.00 N ATOM 1536 CA ARG A 96 -19.918 7.820 0.573 1.00 0.00 C ATOM 1537 C ARG A 96 -20.152 8.172 2.051 1.00 0.00 C ATOM 1538 O ARG A 96 -20.702 7.367 2.804 1.00 0.00 O ATOM 1539 CB ARG A 96 -21.064 8.359 -0.314 1.00 0.00 C ATOM 1540 CG ARG A 96 -20.649 8.768 -1.738 1.00 0.00 C ATOM 1541 CD ARG A 96 -20.249 7.628 -2.675 1.00 0.00 C ATOM 1542 NE ARG A 96 -19.948 8.158 -4.010 1.00 0.00 N ATOM 1543 CZ ARG A 96 -19.327 7.548 -4.993 1.00 0.00 C ATOM 1544 NH1 ARG A 96 -18.955 6.302 -4.953 1.00 0.00 N ATOM 1545 NH2 ARG A 96 -19.071 8.193 -6.084 1.00 0.00 N ATOM 0 H ARG A 96 -20.660 5.866 0.603 1.00 0.00 H new ATOM 0 HA ARG A 96 -18.986 8.294 0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -21.839 7.596 -0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -21.510 9.222 0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -21.476 9.312 -2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -19.812 9.462 -1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -19.378 7.107 -2.277 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -21.056 6.898 -2.738 1.00 0.00 H new ATOM 0 HE ARG A 96 -20.257 9.112 -4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -19.143 5.740 -4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -18.476 5.887 -5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -19.351 9.169 -6.177 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -18.589 7.725 -6.852 1.00 0.00 H new ATOM 1559 N VAL A 97 -19.794 9.402 2.441 1.00 0.00 N ATOM 1560 CA VAL A 97 -19.966 9.946 3.816 1.00 0.00 C ATOM 1561 C VAL A 97 -20.789 11.244 3.888 1.00 0.00 C ATOM 1562 O VAL A 97 -20.965 11.821 4.963 1.00 0.00 O ATOM 1563 CB VAL A 97 -18.616 10.115 4.540 1.00 0.00 C ATOM 1564 CG1 VAL A 97 -17.928 8.761 4.740 1.00 0.00 C ATOM 1565 CG2 VAL A 97 -17.641 11.076 3.866 1.00 0.00 C ATOM 0 H VAL A 97 -19.365 10.071 1.802 1.00 0.00 H new ATOM 0 HA VAL A 97 -20.553 9.191 4.339 1.00 0.00 H new ATOM 0 HB VAL A 97 -18.877 10.562 5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -16.978 8.908 5.253 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -18.567 8.113 5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -17.749 8.297 3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -16.721 11.129 4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -17.414 10.719 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -18.090 12.067 3.806 1.00 0.00 H new ATOM 1575 N ASP A 98 -21.345 11.677 2.755 1.00 0.00 N ATOM 1576 CA ASP A 98 -22.162 12.898 2.603 1.00 0.00 C ATOM 1577 C ASP A 98 -23.583 12.595 2.066 1.00 0.00 C ATOM 1578 O ASP A 98 -24.267 13.471 1.532 1.00 0.00 O ATOM 1579 CB ASP A 98 -21.387 13.903 1.733 1.00 0.00 C ATOM 1580 CG ASP A 98 -20.208 14.533 2.492 1.00 0.00 C ATOM 1581 OD1 ASP A 98 -20.452 15.353 3.411 1.00 0.00 O ATOM 1582 OD2 ASP A 98 -19.037 14.244 2.148 1.00 0.00 O ATOM 0 H ASP A 98 -21.238 11.170 1.877 1.00 0.00 H new ATOM 0 HA ASP A 98 -22.331 13.345 3.583 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -21.016 13.399 0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -22.063 14.689 1.397 1.00 0.00 H new ATOM 1587 N ASN A 99 -24.032 11.335 2.213 1.00 0.00 N ATOM 1588 CA ASN A 99 -25.370 10.810 1.828 1.00 0.00 C ATOM 1589 C ASN A 99 -25.637 10.852 0.313 1.00 0.00 C ATOM 1590 O ASN A 99 -26.772 10.744 -0.162 1.00 0.00 O ATOM 1591 CB ASN A 99 -26.474 11.460 2.694 1.00 0.00 C ATOM 1592 CG ASN A 99 -26.010 11.625 4.129 1.00 0.00 C ATOM 1593 OD1 ASN A 99 -25.958 12.719 4.681 1.00 0.00 O ATOM 1594 ND2 ASN A 99 -25.508 10.565 4.718 1.00 0.00 N ATOM 0 H ASN A 99 -23.445 10.610 2.625 1.00 0.00 H new ATOM 0 HA ASN A 99 -25.386 9.743 2.049 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -26.741 12.432 2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -27.373 10.844 2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -25.073 10.650 5.637 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -25.552 9.656 4.257 1.00 0.00 H new ATOM 1601 N LEU A 100 -24.544 11.006 -0.428 1.00 0.00 N ATOM 1602 CA LEU A 100 -24.480 11.021 -1.893 1.00 0.00 C ATOM 1603 C LEU A 100 -24.686 9.615 -2.511 1.00 0.00 C ATOM 1604 O LEU A 100 -24.436 8.603 -1.845 1.00 0.00 O ATOM 1605 CB LEU A 100 -23.119 11.618 -2.305 1.00 0.00 C ATOM 1606 CG LEU A 100 -23.043 13.153 -2.220 1.00 0.00 C ATOM 1607 CD1 LEU A 100 -21.591 13.592 -2.395 1.00 0.00 C ATOM 1608 CD2 LEU A 100 -23.876 13.837 -3.307 1.00 0.00 C ATOM 0 H LEU A 100 -23.626 11.131 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 100 -25.295 11.634 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -22.343 11.193 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -22.897 11.312 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 100 -23.438 13.444 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -21.530 14.679 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -20.980 13.151 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -21.225 13.260 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -23.790 14.919 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -23.511 13.535 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -24.921 13.545 -3.203 1.00 0.00 H new ATOM 1620 N PRO A 101 -25.110 9.536 -3.791 1.00 0.00 N ATOM 1621 CA PRO A 101 -25.292 8.280 -4.522 1.00 0.00 C ATOM 1622 C PRO A 101 -23.952 7.618 -4.885 1.00 0.00 C ATOM 1623 O PRO A 101 -22.889 8.241 -4.830 1.00 0.00 O ATOM 1624 CB PRO A 101 -26.096 8.660 -5.772 1.00 0.00 C ATOM 1625 CG PRO A 101 -25.645 10.092 -6.053 1.00 0.00 C ATOM 1626 CD PRO A 101 -25.429 10.666 -4.653 1.00 0.00 C ATOM 0 HA PRO A 101 -25.810 7.538 -3.915 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -25.877 7.997 -6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -27.170 8.603 -5.593 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -24.730 10.118 -6.645 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -26.399 10.651 -6.606 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -24.619 11.396 -4.653 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -26.323 11.182 -4.302 1.00 0.00 H new ATOM 1634 N ASN A 102 -24.011 6.348 -5.295 1.00 0.00 N ATOM 1635 CA ASN A 102 -22.842 5.507 -5.560 1.00 0.00 C ATOM 1636 C ASN A 102 -22.657 5.299 -7.078 1.00 0.00 C ATOM 1637 O ASN A 102 -23.614 4.984 -7.792 1.00 0.00 O ATOM 1638 CB ASN A 102 -23.008 4.175 -4.804 1.00 0.00 C ATOM 1639 CG ASN A 102 -23.362 4.366 -3.336 1.00 0.00 C ATOM 1640 OD1 ASN A 102 -24.518 4.301 -2.941 1.00 0.00 O ATOM 1641 ND2 ASN A 102 -22.395 4.630 -2.484 1.00 0.00 N ATOM 0 H ASN A 102 -24.895 5.865 -5.456 1.00 0.00 H new ATOM 0 HA ASN A 102 -21.937 5.996 -5.201 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -23.787 3.584 -5.286 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -22.083 3.604 -4.878 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -22.610 4.780 -1.498 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -21.430 4.685 -2.809 1.00 0.00 H new ATOM 1648 N ILE A 103 -21.425 5.500 -7.564 1.00 0.00 N ATOM 1649 CA ILE A 103 -21.056 5.491 -8.996 1.00 0.00 C ATOM 1650 C ILE A 103 -19.637 4.947 -9.184 1.00 0.00 C ATOM 1651 O ILE A 103 -18.723 5.283 -8.421 1.00 0.00 O ATOM 1652 CB ILE A 103 -21.209 6.890 -9.653 1.00 0.00 C ATOM 1653 CG1 ILE A 103 -20.638 7.997 -8.746 1.00 0.00 C ATOM 1654 CG2 ILE A 103 -22.673 7.167 -10.031 1.00 0.00 C ATOM 1655 CD1 ILE A 103 -20.657 9.419 -9.294 1.00 0.00 C ATOM 0 H ILE A 103 -20.627 5.680 -6.955 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.754 4.826 -9.505 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.627 6.893 -10.575 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -21.195 7.988 -7.809 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -19.606 7.740 -8.507 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -22.750 8.153 -10.489 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -23.016 6.411 -10.738 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -23.293 7.133 -9.135 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -20.228 10.098 -8.558 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -20.072 9.463 -10.213 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -21.685 9.714 -9.504 1.00 0.00 H new ATOM 1667 N LYS A 104 -19.482 4.069 -10.181 1.00 0.00 N ATOM 1668 CA LYS A 104 -18.226 3.385 -10.525 1.00 0.00 C ATOM 1669 C LYS A 104 -17.342 4.231 -11.453 1.00 0.00 C ATOM 1670 O LYS A 104 -17.735 5.306 -11.910 1.00 0.00 O ATOM 1671 CB LYS A 104 -18.537 1.958 -11.046 1.00 0.00 C ATOM 1672 CG LYS A 104 -19.407 1.808 -12.310 1.00 0.00 C ATOM 1673 CD LYS A 104 -18.636 2.026 -13.622 1.00 0.00 C ATOM 1674 CE LYS A 104 -19.530 2.032 -14.873 1.00 0.00 C ATOM 1675 NZ LYS A 104 -19.897 0.669 -15.351 1.00 0.00 N ATOM 0 H LYS A 104 -20.254 3.804 -10.793 1.00 0.00 H new ATOM 0 HA LYS A 104 -17.618 3.264 -9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -17.586 1.461 -11.238 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -19.026 1.411 -10.240 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.848 0.811 -12.320 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -20.230 2.521 -12.260 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.101 2.974 -13.565 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -17.886 1.242 -13.726 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -20.441 2.589 -14.655 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -19.016 2.563 -15.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -20.592 0.747 -16.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -19.047 0.183 -15.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -20.309 0.125 -14.566 1.00 0.00 H new ATOM 1689 N ILE A 105 -16.143 3.723 -11.738 1.00 0.00 N ATOM 1690 CA ILE A 105 -15.162 4.331 -12.649 1.00 0.00 C ATOM 1691 C ILE A 105 -15.730 4.391 -14.079 1.00 0.00 C ATOM 1692 O ILE A 105 -15.929 3.361 -14.727 1.00 0.00 O ATOM 1693 CB ILE A 105 -13.851 3.509 -12.626 1.00 0.00 C ATOM 1694 CG1 ILE A 105 -13.249 3.325 -11.217 1.00 0.00 C ATOM 1695 CG2 ILE A 105 -12.801 4.168 -13.538 1.00 0.00 C ATOM 1696 CD1 ILE A 105 -12.382 2.077 -11.089 1.00 0.00 C ATOM 0 H ILE A 105 -15.813 2.848 -11.330 1.00 0.00 H new ATOM 0 HA ILE A 105 -14.950 5.348 -12.319 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.117 2.516 -12.987 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.651 4.201 -10.968 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -14.058 3.273 -10.488 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.881 3.583 -13.516 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -13.180 4.209 -14.559 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.596 5.179 -13.186 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.991 2.008 -10.074 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.982 1.193 -11.307 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.553 2.136 -11.794 1.00 0.00 H new ATOM 1708 N ALA A 106 -15.999 5.598 -14.576 1.00 0.00 N ATOM 1709 CA ALA A 106 -16.546 5.836 -15.916 1.00 0.00 C ATOM 1710 C ALA A 106 -15.544 5.459 -17.022 1.00 0.00 C ATOM 1711 O ALA A 106 -15.909 4.805 -18.005 1.00 0.00 O ATOM 1712 CB ALA A 106 -16.939 7.314 -16.026 1.00 0.00 C ATOM 0 H ALA A 106 -15.840 6.457 -14.049 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.421 5.201 -16.057 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -17.348 7.509 -17.017 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -17.690 7.548 -15.271 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -16.059 7.937 -15.868 1.00 0.00 H new ATOM 1718 N THR A 107 -14.278 5.840 -16.831 1.00 0.00 N ATOM 1719 CA THR A 107 -13.139 5.558 -17.723 1.00 0.00 C ATOM 1720 C THR A 107 -11.839 5.464 -16.916 1.00 0.00 C ATOM 1721 O THR A 107 -11.663 6.164 -15.912 1.00 0.00 O ATOM 1722 CB THR A 107 -12.957 6.645 -18.809 1.00 0.00 C ATOM 1723 OG1 THR A 107 -13.039 7.949 -18.268 1.00 0.00 O ATOM 1724 CG2 THR A 107 -13.992 6.559 -19.930 1.00 0.00 C ATOM 0 H THR A 107 -14.001 6.380 -16.011 1.00 0.00 H new ATOM 0 HA THR A 107 -13.359 4.609 -18.213 1.00 0.00 H new ATOM 0 HB THR A 107 -11.964 6.455 -19.217 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.918 8.608 -18.983 1.00 0.00 H new ATOM 0 HG21 THR A 107 -13.807 7.349 -20.657 1.00 0.00 H new ATOM 0 HG22 THR A 107 -13.917 5.589 -20.421 1.00 0.00 H new ATOM 0 HG23 THR A 107 -14.992 6.677 -19.512 1.00 0.00 H new ATOM 1732 N ARG A 108 -10.912 4.612 -17.378 1.00 0.00 N ATOM 1733 CA ARG A 108 -9.559 4.444 -16.818 1.00 0.00 C ATOM 1734 C ARG A 108 -8.535 4.241 -17.928 1.00 0.00 C ATOM 1735 O ARG A 108 -8.783 3.506 -18.888 1.00 0.00 O ATOM 1736 CB ARG A 108 -9.537 3.263 -15.827 1.00 0.00 C ATOM 1737 CG ARG A 108 -8.224 3.159 -15.021 1.00 0.00 C ATOM 1738 CD ARG A 108 -7.194 2.134 -15.527 1.00 0.00 C ATOM 1739 NE ARG A 108 -7.665 0.731 -15.513 1.00 0.00 N ATOM 1740 CZ ARG A 108 -7.862 -0.059 -14.472 1.00 0.00 C ATOM 1741 NH1 ARG A 108 -7.827 0.372 -13.241 1.00 0.00 N ATOM 1742 NH2 ARG A 108 -8.081 -1.329 -14.659 1.00 0.00 N ATOM 0 H ARG A 108 -11.087 4.001 -18.176 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.291 5.353 -16.279 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.372 3.365 -15.134 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -9.691 2.335 -16.377 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.752 4.141 -15.008 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.474 2.912 -13.989 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.908 2.398 -16.545 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.295 2.208 -14.914 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.863 0.320 -16.425 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.641 1.357 -13.051 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.985 -0.276 -12.469 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.100 -1.709 -15.605 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.234 -1.943 -13.859 1.00 0.00 H new ATOM 1756 N LYS A 109 -7.370 4.873 -17.764 1.00 0.00 N ATOM 1757 CA LYS A 109 -6.194 4.725 -18.638 1.00 0.00 C ATOM 1758 C LYS A 109 -4.920 5.137 -17.897 1.00 0.00 C ATOM 1759 O LYS A 109 -4.970 5.976 -16.995 1.00 0.00 O ATOM 1760 CB LYS A 109 -6.417 5.562 -19.917 1.00 0.00 C ATOM 1761 CG LYS A 109 -5.530 5.093 -21.085 1.00 0.00 C ATOM 1762 CD LYS A 109 -6.051 5.551 -22.458 1.00 0.00 C ATOM 1763 CE LYS A 109 -7.357 4.827 -22.838 1.00 0.00 C ATOM 1764 NZ LYS A 109 -7.810 5.179 -24.210 1.00 0.00 N ATOM 0 H LYS A 109 -7.210 5.524 -16.995 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.068 3.681 -18.924 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.465 5.499 -20.211 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.208 6.610 -19.703 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.519 5.473 -20.941 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -5.466 4.005 -21.071 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -6.222 6.627 -22.443 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.293 5.359 -23.218 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -7.207 3.749 -22.771 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.137 5.085 -22.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -8.691 4.671 -24.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -7.978 6.204 -24.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -7.078 4.909 -24.897 1.00 0.00 H new ATOM 1778 N TYR A 110 -3.790 4.538 -18.260 1.00 0.00 N ATOM 1779 CA TYR A 110 -2.480 4.885 -17.702 1.00 0.00 C ATOM 1780 C TYR A 110 -2.073 6.311 -18.105 1.00 0.00 C ATOM 1781 O TYR A 110 -2.049 6.638 -19.296 1.00 0.00 O ATOM 1782 CB TYR A 110 -1.437 3.859 -18.170 1.00 0.00 C ATOM 1783 CG TYR A 110 -0.045 4.084 -17.604 1.00 0.00 C ATOM 1784 CD1 TYR A 110 0.122 4.323 -16.228 1.00 0.00 C ATOM 1785 CD2 TYR A 110 1.085 4.072 -18.450 1.00 0.00 C ATOM 1786 CE1 TYR A 110 1.396 4.583 -15.704 1.00 0.00 C ATOM 1787 CE2 TYR A 110 2.373 4.286 -17.917 1.00 0.00 C ATOM 1788 CZ TYR A 110 2.531 4.545 -16.538 1.00 0.00 C ATOM 1789 OH TYR A 110 3.766 4.770 -16.013 1.00 0.00 O ATOM 0 H TYR A 110 -3.754 3.792 -18.955 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.537 4.858 -16.614 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -1.774 2.861 -17.890 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.383 3.883 -19.258 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.736 4.306 -15.572 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.963 3.898 -19.509 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.508 4.814 -14.655 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.238 4.252 -18.563 1.00 0.00 H new ATOM 0 HH TYR A 110 4.439 4.706 -16.722 1.00 0.00 H new ATOM 1799 N LEU A 111 -1.763 7.165 -17.122 1.00 0.00 N ATOM 1800 CA LEU A 111 -1.350 8.553 -17.363 1.00 0.00 C ATOM 1801 C LEU A 111 0.166 8.679 -17.523 1.00 0.00 C ATOM 1802 O LEU A 111 0.647 9.413 -18.389 1.00 0.00 O ATOM 1803 CB LEU A 111 -1.795 9.420 -16.174 1.00 0.00 C ATOM 1804 CG LEU A 111 -3.316 9.547 -16.030 1.00 0.00 C ATOM 1805 CD1 LEU A 111 -3.636 10.221 -14.703 1.00 0.00 C ATOM 1806 CD2 LEU A 111 -3.912 10.388 -17.157 1.00 0.00 C ATOM 0 H LEU A 111 -1.792 6.912 -16.134 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.818 8.886 -18.290 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.388 8.996 -15.256 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.366 10.416 -16.283 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.746 8.547 -16.074 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.716 10.315 -14.594 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.239 9.620 -13.885 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.182 11.212 -14.679 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.992 10.459 -17.026 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.477 11.387 -17.134 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.693 9.919 -18.116 1.00 0.00 H new ATOM 1818 N GLY A 112 0.912 7.983 -16.662 1.00 0.00 N ATOM 1819 CA GLY A 112 2.368 8.083 -16.560 1.00 0.00 C ATOM 1820 C GLY A 112 2.852 7.977 -15.113 1.00 0.00 C ATOM 1821 O GLY A 112 2.218 7.331 -14.277 1.00 0.00 O ATOM 0 H GLY A 112 0.510 7.319 -16.001 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.828 7.293 -17.154 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.696 9.032 -16.983 1.00 0.00 H new ATOM 1825 N LYS A 113 3.967 8.641 -14.797 1.00 0.00 N ATOM 1826 CA LYS A 113 4.700 8.481 -13.528 1.00 0.00 C ATOM 1827 C LYS A 113 4.874 9.813 -12.793 1.00 0.00 C ATOM 1828 O LYS A 113 5.767 10.607 -13.090 1.00 0.00 O ATOM 1829 CB LYS A 113 6.043 7.788 -13.792 1.00 0.00 C ATOM 1830 CG LYS A 113 6.553 7.069 -12.532 1.00 0.00 C ATOM 1831 CD LYS A 113 8.064 6.803 -12.569 1.00 0.00 C ATOM 1832 CE LYS A 113 8.478 5.889 -13.731 1.00 0.00 C ATOM 1833 NZ LYS A 113 9.948 5.657 -13.731 1.00 0.00 N ATOM 0 H LYS A 113 4.398 9.319 -15.425 1.00 0.00 H new ATOM 0 HA LYS A 113 4.110 7.849 -12.864 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.931 7.070 -14.604 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.778 8.525 -14.117 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.316 7.671 -11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 113 6.025 6.122 -12.421 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.594 7.752 -12.653 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.372 6.348 -11.627 1.00 0.00 H new ATOM 0 HE2 LYS A 113 7.956 4.935 -13.652 1.00 0.00 H new ATOM 0 HE3 LYS A 113 8.178 6.339 -14.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.201 5.036 -14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.443 6.566 -13.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.228 5.206 -12.837 1.00 0.00 H new ATOM 1847 N GLN A 114 3.971 10.057 -11.851 1.00 0.00 N ATOM 1848 CA GLN A 114 3.797 11.336 -11.146 1.00 0.00 C ATOM 1849 C GLN A 114 4.140 11.169 -9.666 1.00 0.00 C ATOM 1850 O GLN A 114 4.029 10.073 -9.110 1.00 0.00 O ATOM 1851 CB GLN A 114 2.361 11.859 -11.311 1.00 0.00 C ATOM 1852 CG GLN A 114 1.965 11.611 -12.763 1.00 0.00 C ATOM 1853 CD GLN A 114 0.696 12.254 -13.227 1.00 0.00 C ATOM 1854 OE1 GLN A 114 0.280 13.339 -12.838 1.00 0.00 O ATOM 1855 NE2 GLN A 114 0.099 11.618 -14.197 1.00 0.00 N ATOM 0 H GLN A 114 3.310 9.345 -11.540 1.00 0.00 H new ATOM 0 HA GLN A 114 4.475 12.068 -11.584 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.682 11.344 -10.632 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.307 12.921 -11.072 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.777 11.958 -13.402 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.878 10.535 -12.914 1.00 0.00 H new ATOM 0 HE21 GLN A 114 0.456 10.716 -14.511 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.725 12.023 -14.642 1.00 0.00 H new ATOM 1864 N ASN A 115 4.523 12.255 -9.002 1.00 0.00 N ATOM 1865 CA ASN A 115 4.744 12.278 -7.576 1.00 0.00 C ATOM 1866 C ASN A 115 3.436 11.974 -6.828 1.00 0.00 C ATOM 1867 O ASN A 115 2.474 12.742 -6.909 1.00 0.00 O ATOM 1868 CB ASN A 115 5.353 13.643 -7.196 1.00 0.00 C ATOM 1869 CG ASN A 115 6.297 13.503 -6.022 1.00 0.00 C ATOM 1870 OD1 ASN A 115 5.938 12.718 -5.036 1.00 0.00 O flip ATOM 1871 ND2 ASN A 115 7.389 14.057 -6.000 1.00 0.00 N flip ATOM 0 H ASN A 115 4.689 13.154 -9.455 1.00 0.00 H new ATOM 0 HA ASN A 115 5.449 11.501 -7.281 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.887 14.058 -8.050 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.557 14.344 -6.946 1.00 0.00 H new ATOM 0 HD21 ASN A 115 7.667 14.668 -6.768 1.00 0.00 H new ATOM 0 HD22 ASN A 115 8.021 13.908 -5.213 1.00 0.00 H new ATOM 1878 N VAL A 116 3.423 10.862 -6.086 1.00 0.00 N ATOM 1879 CA VAL A 116 2.261 10.419 -5.304 1.00 0.00 C ATOM 1880 C VAL A 116 2.636 10.224 -3.832 1.00 0.00 C ATOM 1881 O VAL A 116 3.789 9.946 -3.493 1.00 0.00 O ATOM 1882 CB VAL A 116 1.603 9.169 -5.926 1.00 0.00 C ATOM 1883 CG1 VAL A 116 0.888 9.490 -7.240 1.00 0.00 C ATOM 1884 CG2 VAL A 116 2.580 8.021 -6.211 1.00 0.00 C ATOM 0 H VAL A 116 4.226 10.237 -6.010 1.00 0.00 H new ATOM 0 HA VAL A 116 1.507 11.205 -5.336 1.00 0.00 H new ATOM 0 HB VAL A 116 0.895 8.846 -5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.440 8.581 -7.642 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.108 10.230 -7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 116 1.606 9.888 -7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.038 7.182 -6.647 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.346 8.360 -6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.051 7.705 -5.280 1.00 0.00 H new ATOM 1894 N TYR A 117 1.645 10.388 -2.957 1.00 0.00 N ATOM 1895 CA TYR A 117 1.792 10.484 -1.506 1.00 0.00 C ATOM 1896 C TYR A 117 0.706 9.683 -0.766 1.00 0.00 C ATOM 1897 O TYR A 117 -0.381 9.438 -1.298 1.00 0.00 O ATOM 1898 CB TYR A 117 1.681 11.966 -1.119 1.00 0.00 C ATOM 1899 CG TYR A 117 2.473 12.939 -1.974 1.00 0.00 C ATOM 1900 CD1 TYR A 117 3.808 13.248 -1.646 1.00 0.00 C ATOM 1901 CD2 TYR A 117 1.872 13.535 -3.102 1.00 0.00 C ATOM 1902 CE1 TYR A 117 4.523 14.190 -2.408 1.00 0.00 C ATOM 1903 CE2 TYR A 117 2.595 14.461 -3.876 1.00 0.00 C ATOM 1904 CZ TYR A 117 3.915 14.811 -3.518 1.00 0.00 C ATOM 1905 OH TYR A 117 4.596 15.743 -4.240 1.00 0.00 O ATOM 0 H TYR A 117 0.672 10.461 -3.255 1.00 0.00 H new ATOM 0 HA TYR A 117 2.758 10.067 -1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.630 12.253 -1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 117 2.005 12.076 -0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 117 4.283 12.761 -0.808 1.00 0.00 H new ATOM 0 HD2 TYR A 117 0.858 13.281 -3.371 1.00 0.00 H new ATOM 0 HE1 TYR A 117 5.540 14.438 -2.142 1.00 0.00 H new ATOM 0 HE2 TYR A 117 2.138 14.906 -4.748 1.00 0.00 H new ATOM 0 HH TYR A 117 4.030 16.069 -4.971 1.00 0.00 H new ATOM 1915 N ASP A 118 0.994 9.289 0.473 1.00 0.00 N ATOM 1916 CA ASP A 118 0.106 8.489 1.321 1.00 0.00 C ATOM 1917 C ASP A 118 0.403 8.743 2.808 1.00 0.00 C ATOM 1918 O ASP A 118 1.499 8.463 3.292 1.00 0.00 O ATOM 1919 CB ASP A 118 0.287 7.001 0.980 1.00 0.00 C ATOM 1920 CG ASP A 118 -0.516 6.095 1.928 1.00 0.00 C ATOM 1921 OD1 ASP A 118 -1.732 6.328 2.094 1.00 0.00 O ATOM 1922 OD2 ASP A 118 0.080 5.138 2.492 1.00 0.00 O ATOM 0 H ASP A 118 1.876 9.523 0.929 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.928 8.779 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.030 6.823 -0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.344 6.741 1.038 1.00 0.00 H new ATOM 1927 N ILE A 119 -0.555 9.295 3.553 1.00 0.00 N ATOM 1928 CA ILE A 119 -0.427 9.436 5.012 1.00 0.00 C ATOM 1929 C ILE A 119 -0.699 8.100 5.731 1.00 0.00 C ATOM 1930 O ILE A 119 -1.585 7.332 5.348 1.00 0.00 O ATOM 1931 CB ILE A 119 -1.321 10.570 5.549 1.00 0.00 C ATOM 1932 CG1 ILE A 119 -2.801 10.414 5.148 1.00 0.00 C ATOM 1933 CG2 ILE A 119 -0.742 11.918 5.086 1.00 0.00 C ATOM 1934 CD1 ILE A 119 -3.715 11.420 5.842 1.00 0.00 C ATOM 0 H ILE A 119 -1.431 9.654 3.174 1.00 0.00 H new ATOM 0 HA ILE A 119 0.605 9.713 5.228 1.00 0.00 H new ATOM 0 HB ILE A 119 -1.317 10.523 6.638 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.894 10.531 4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.133 9.404 5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.366 12.730 5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.271 12.031 5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.720 11.950 3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.744 11.260 5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.649 11.287 6.922 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.406 12.432 5.581 1.00 0.00 H new ATOM 1946 N GLY A 120 0.049 7.838 6.806 1.00 0.00 N ATOM 1947 CA GLY A 120 -0.122 6.664 7.668 1.00 0.00 C ATOM 1948 C GLY A 120 -0.839 7.025 8.970 1.00 0.00 C ATOM 1949 O GLY A 120 -0.844 8.186 9.384 1.00 0.00 O ATOM 0 H GLY A 120 0.807 8.449 7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -0.692 5.901 7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 120 0.853 6.233 7.896 1.00 0.00 H new ATOM 1953 N VAL A 121 -1.452 6.037 9.625 1.00 0.00 N ATOM 1954 CA VAL A 121 -2.376 6.231 10.763 1.00 0.00 C ATOM 1955 C VAL A 121 -2.177 5.111 11.808 1.00 0.00 C ATOM 1956 O VAL A 121 -1.600 4.064 11.513 1.00 0.00 O ATOM 1957 CB VAL A 121 -3.839 6.286 10.252 1.00 0.00 C ATOM 1958 CG1 VAL A 121 -4.794 6.874 11.293 1.00 0.00 C ATOM 1959 CG2 VAL A 121 -4.041 7.126 8.975 1.00 0.00 C ATOM 0 H VAL A 121 -1.322 5.055 9.380 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.157 7.180 11.252 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.059 5.240 10.039 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.806 6.892 10.889 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.773 6.260 12.193 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.484 7.889 11.539 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.093 7.108 8.690 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -3.733 8.155 9.164 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.440 6.710 8.167 1.00 0.00 H new ATOM 2037 N ASN A 126 -6.458 4.110 6.246 1.00 0.00 N ATOM 2038 CA ASN A 126 -7.518 4.601 5.356 1.00 0.00 C ATOM 2039 C ASN A 126 -8.203 5.898 5.845 1.00 0.00 C ATOM 2040 O ASN A 126 -8.132 6.270 7.018 1.00 0.00 O ATOM 2041 CB ASN A 126 -8.529 3.453 5.141 1.00 0.00 C ATOM 2042 CG ASN A 126 -8.827 2.654 6.406 1.00 0.00 C ATOM 2043 OD1 ASN A 126 -8.181 1.654 6.696 1.00 0.00 O ATOM 2044 ND2 ASN A 126 -9.780 3.056 7.208 1.00 0.00 N ATOM 0 HA ASN A 126 -7.063 4.890 4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -9.460 3.868 4.756 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -8.142 2.778 4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -9.978 2.538 8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -10.324 3.887 6.977 1.00 0.00 H new ATOM 2051 N PHE A 127 -8.864 6.605 4.922 1.00 0.00 N ATOM 2052 CA PHE A 127 -9.427 7.946 5.148 1.00 0.00 C ATOM 2053 C PHE A 127 -10.412 8.368 4.040 1.00 0.00 C ATOM 2054 O PHE A 127 -10.447 7.773 2.960 1.00 0.00 O ATOM 2055 CB PHE A 127 -8.284 8.978 5.273 1.00 0.00 C ATOM 2056 CG PHE A 127 -7.204 8.879 4.208 1.00 0.00 C ATOM 2057 CD1 PHE A 127 -7.443 9.353 2.904 1.00 0.00 C ATOM 2058 CD2 PHE A 127 -5.967 8.279 4.517 1.00 0.00 C ATOM 2059 CE1 PHE A 127 -6.453 9.217 1.913 1.00 0.00 C ATOM 2060 CE2 PHE A 127 -4.979 8.145 3.524 1.00 0.00 C ATOM 2061 CZ PHE A 127 -5.223 8.614 2.223 1.00 0.00 C ATOM 0 H PHE A 127 -9.027 6.257 3.977 1.00 0.00 H new ATOM 0 HA PHE A 127 -9.995 7.910 6.078 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -8.714 9.979 5.239 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -7.818 8.864 6.252 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -8.386 9.821 2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -5.777 7.921 5.518 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -6.639 9.577 0.912 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.033 7.681 3.762 1.00 0.00 H new ATOM 0 HZ PHE A 127 -4.465 8.511 1.461 1.00 0.00 H new ATOM 2071 N ALA A 128 -11.201 9.417 4.300 1.00 0.00 N ATOM 2072 CA ALA A 128 -12.164 9.978 3.351 1.00 0.00 C ATOM 2073 C ALA A 128 -11.592 11.146 2.511 1.00 0.00 C ATOM 2074 O ALA A 128 -10.680 11.862 2.939 1.00 0.00 O ATOM 2075 CB ALA A 128 -13.411 10.409 4.134 1.00 0.00 C ATOM 0 H ALA A 128 -11.186 9.908 5.194 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.418 9.207 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -14.144 10.831 3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.842 9.543 4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -13.134 11.159 4.875 1.00 0.00 H new ATOM 2081 N LEU A 129 -12.176 11.363 1.329 1.00 0.00 N ATOM 2082 CA LEU A 129 -11.844 12.423 0.365 1.00 0.00 C ATOM 2083 C LEU A 129 -12.941 13.506 0.313 1.00 0.00 C ATOM 2084 O LEU A 129 -14.061 13.287 0.779 1.00 0.00 O ATOM 2085 CB LEU A 129 -11.660 11.801 -1.040 1.00 0.00 C ATOM 2086 CG LEU A 129 -10.615 10.668 -1.163 1.00 0.00 C ATOM 2087 CD1 LEU A 129 -10.454 10.263 -2.629 1.00 0.00 C ATOM 2088 CD2 LEU A 129 -9.241 11.078 -0.650 1.00 0.00 C ATOM 0 H LEU A 129 -12.938 10.771 0.998 1.00 0.00 H new ATOM 0 HA LEU A 129 -10.918 12.899 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -12.624 11.413 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -11.383 12.597 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 129 -10.986 9.842 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -9.716 9.464 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -11.410 9.912 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -10.120 11.123 -3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -8.548 10.244 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.878 11.931 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -9.313 11.353 0.402 1.00 0.00 H new ATOM 2100 N LYS A 130 -12.641 14.654 -0.312 1.00 0.00 N ATOM 2101 CA LYS A 130 -13.536 15.828 -0.447 1.00 0.00 C ATOM 2102 C LYS A 130 -14.994 15.504 -0.805 1.00 0.00 C ATOM 2103 O LYS A 130 -15.915 16.002 -0.159 1.00 0.00 O ATOM 2104 CB LYS A 130 -12.916 16.795 -1.477 1.00 0.00 C ATOM 2105 CG LYS A 130 -13.854 17.956 -1.842 1.00 0.00 C ATOM 2106 CD LYS A 130 -13.140 19.054 -2.644 1.00 0.00 C ATOM 2107 CE LYS A 130 -14.079 20.221 -2.992 1.00 0.00 C ATOM 2108 NZ LYS A 130 -15.059 19.876 -4.059 1.00 0.00 N ATOM 0 H LYS A 130 -11.735 14.803 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 130 -13.605 16.286 0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -11.986 17.198 -1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -12.661 16.242 -2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -14.693 17.573 -2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -14.267 18.386 -0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -12.294 19.430 -2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -12.737 18.627 -3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -14.618 20.527 -2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -13.484 21.076 -3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -15.665 20.699 -4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -14.549 19.610 -4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -15.648 19.078 -3.745 1.00 0.00 H new ATOM 2122 N ASN A 131 -15.195 14.686 -1.839 1.00 0.00 N ATOM 2123 CA ASN A 131 -16.520 14.341 -2.374 1.00 0.00 C ATOM 2124 C ASN A 131 -17.198 13.173 -1.620 1.00 0.00 C ATOM 2125 O ASN A 131 -18.274 12.718 -2.014 1.00 0.00 O ATOM 2126 CB ASN A 131 -16.363 14.053 -3.877 1.00 0.00 C ATOM 2127 CG ASN A 131 -15.913 15.269 -4.674 1.00 0.00 C ATOM 2128 OD1 ASN A 131 -16.473 16.355 -4.588 1.00 0.00 O ATOM 2129 ND2 ASN A 131 -14.870 15.138 -5.463 1.00 0.00 N ATOM 0 H ASN A 131 -14.430 14.235 -2.340 1.00 0.00 H new ATOM 0 HA ASN A 131 -17.194 15.185 -2.224 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -15.640 13.249 -4.013 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -17.314 13.697 -4.274 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.532 15.938 -5.999 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -14.399 14.237 -5.540 1.00 0.00 H new ATOM 2136 N GLY A 132 -16.573 12.674 -0.546 1.00 0.00 N ATOM 2137 CA GLY A 132 -17.119 11.663 0.360 1.00 0.00 C ATOM 2138 C GLY A 132 -16.581 10.242 0.143 1.00 0.00 C ATOM 2139 O GLY A 132 -16.935 9.341 0.901 1.00 0.00 O ATOM 0 H GLY A 132 -15.637 12.977 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -16.907 11.963 1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -18.203 11.646 0.251 1.00 0.00 H new ATOM 2143 N PHE A 133 -15.760 10.017 -0.884 1.00 0.00 N ATOM 2144 CA PHE A 133 -15.192 8.701 -1.213 1.00 0.00 C ATOM 2145 C PHE A 133 -14.163 8.248 -0.163 1.00 0.00 C ATOM 2146 O PHE A 133 -13.637 9.081 0.575 1.00 0.00 O ATOM 2147 CB PHE A 133 -14.540 8.758 -2.606 1.00 0.00 C ATOM 2148 CG PHE A 133 -15.284 9.548 -3.674 1.00 0.00 C ATOM 2149 CD1 PHE A 133 -16.691 9.560 -3.716 1.00 0.00 C ATOM 2150 CD2 PHE A 133 -14.558 10.328 -4.596 1.00 0.00 C ATOM 2151 CE1 PHE A 133 -17.362 10.399 -4.624 1.00 0.00 C ATOM 2152 CE2 PHE A 133 -15.232 11.111 -5.551 1.00 0.00 C ATOM 2153 CZ PHE A 133 -16.635 11.154 -5.561 1.00 0.00 C ATOM 0 H PHE A 133 -15.464 10.754 -1.524 1.00 0.00 H new ATOM 0 HA PHE A 133 -16.001 7.971 -1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -13.543 9.185 -2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -14.412 7.737 -2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -17.256 8.924 -3.050 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -13.478 10.325 -4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -18.440 10.463 -4.601 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -14.670 11.679 -6.277 1.00 0.00 H new ATOM 0 HZ PHE A 133 -17.154 11.764 -6.285 1.00 0.00 H new ATOM 2163 N ILE A 134 -13.806 6.957 -0.129 1.00 0.00 N ATOM 2164 CA ILE A 134 -12.806 6.413 0.814 1.00 0.00 C ATOM 2165 C ILE A 134 -11.616 5.830 0.056 1.00 0.00 C ATOM 2166 O ILE A 134 -11.783 5.129 -0.941 1.00 0.00 O ATOM 2167 CB ILE A 134 -13.363 5.282 1.701 1.00 0.00 C ATOM 2168 CG1 ILE A 134 -14.840 5.404 2.110 1.00 0.00 C ATOM 2169 CG2 ILE A 134 -12.477 5.006 2.934 1.00 0.00 C ATOM 2170 CD1 ILE A 134 -15.218 6.614 2.965 1.00 0.00 C ATOM 0 H ILE A 134 -14.201 6.255 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 134 -12.515 7.254 1.443 1.00 0.00 H new ATOM 0 HB ILE A 134 -13.329 4.420 1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -15.444 5.427 1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -15.118 4.502 2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -12.915 4.201 3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -11.479 4.714 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -12.410 5.907 3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -16.285 6.585 3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -14.654 6.591 3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -14.985 7.530 2.422 1.00 0.00 H new ATOM 2182 N ALA A 135 -10.430 6.025 0.612 1.00 0.00 N ATOM 2183 CA ALA A 135 -9.157 5.573 0.066 1.00 0.00 C ATOM 2184 C ALA A 135 -8.312 4.882 1.167 1.00 0.00 C ATOM 2185 O ALA A 135 -8.359 5.275 2.335 1.00 0.00 O ATOM 2186 CB ALA A 135 -8.490 6.801 -0.574 1.00 0.00 C ATOM 0 H ALA A 135 -10.323 6.524 1.495 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.278 4.810 -0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.529 6.513 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.132 7.194 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -8.336 7.568 0.185 1.00 0.00 H new ATOM 2192 N SER A 136 -7.575 3.825 0.804 1.00 0.00 N ATOM 2193 CA SER A 136 -6.800 2.955 1.709 1.00 0.00 C ATOM 2194 C SER A 136 -5.427 2.547 1.129 1.00 0.00 C ATOM 2195 O SER A 136 -5.295 2.361 -0.080 1.00 0.00 O ATOM 2196 CB SER A 136 -7.648 1.712 1.993 1.00 0.00 C ATOM 2197 OG SER A 136 -6.990 0.837 2.893 1.00 0.00 O ATOM 0 H SER A 136 -7.497 3.537 -0.171 1.00 0.00 H new ATOM 0 HA SER A 136 -6.583 3.508 2.623 1.00 0.00 H new ATOM 0 HB2 SER A 136 -8.609 2.012 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 136 -7.855 1.189 1.059 1.00 0.00 H new ATOM 0 HG SER A 136 -7.554 0.053 3.058 1.00 0.00 H new ATOM 2203 N ASN A 137 -4.399 2.423 1.984 1.00 0.00 N ATOM 2204 CA ASN A 137 -2.981 2.257 1.581 1.00 0.00 C ATOM 2205 C ASN A 137 -2.676 1.227 0.460 1.00 0.00 C ATOM 2206 O ASN A 137 -3.135 0.060 0.528 1.00 0.00 O ATOM 2207 CB ASN A 137 -2.073 2.039 2.809 1.00 0.00 C ATOM 2208 CG ASN A 137 -2.025 0.607 3.349 1.00 0.00 C ATOM 2209 OD1 ASN A 137 -3.026 -0.033 3.656 1.00 0.00 O ATOM 2210 ND2 ASN A 137 -0.841 0.062 3.535 1.00 0.00 N ATOM 0 H ASN A 137 -4.526 2.435 2.996 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.746 3.209 1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.060 2.344 2.548 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.409 2.699 3.609 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -0.768 -0.876 3.928 1.00 0.00 H new ATOM 0 HD22 ASN A 137 0.003 0.578 3.286 1.00 0.00 H new