USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 511 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 28 HIS : no HD1:sc= 0.0177 K(o=-0.95,f=-2) USER MOD Set 1.2: A 29 SER OG : rot 180:sc= -0.968 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 18:sc= -3.89! USER MOD Single : A 27 ASN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -51:sc= 0.67 USER MOD Single : A 42 GLN : amide:sc= -0.0503 X(o=-0.05,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.26) USER MOD Single : A 44 THR OG1 : rot 129:sc= 0.139 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 139:sc= -0.386 (180deg=-1.67) USER MOD Single : A 49 THR OG1 : rot 141:sc= -5.68! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0205) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -9.273 5.862 8.563 1.00 0.00 N ATOM 2 CA GLY A 17 -7.982 5.717 9.212 1.00 0.00 C ATOM 3 C GLY A 17 -6.841 5.633 8.218 1.00 0.00 C ATOM 4 O GLY A 17 -6.226 6.646 7.883 1.00 0.00 O ATOM 0 HA2 GLY A 17 -7.817 6.563 9.879 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.988 4.819 9.830 1.00 0.00 H new ATOM 8 N LEU A 18 -6.559 4.424 7.744 1.00 0.00 N ATOM 9 CA LEU A 18 -5.482 4.213 6.781 1.00 0.00 C ATOM 10 C LEU A 18 -6.041 4.167 5.360 1.00 0.00 C ATOM 11 O LEU A 18 -6.759 3.219 4.987 1.00 0.00 O ATOM 12 CB LEU A 18 -4.729 2.917 7.088 1.00 0.00 C ATOM 13 CG LEU A 18 -3.987 2.873 8.429 1.00 0.00 C ATOM 14 CD1 LEU A 18 -2.744 3.744 8.381 1.00 0.00 C ATOM 15 CD2 LEU A 18 -4.897 3.304 9.572 1.00 0.00 C ATOM 0 H LEU A 18 -7.060 3.576 8.010 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.786 5.048 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.440 2.092 7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.007 2.741 6.290 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.681 1.843 8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.231 3.700 9.342 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.078 3.384 7.597 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.030 4.774 8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.345 3.263 10.511 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.242 4.323 9.398 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.755 2.634 9.626 1.00 0.00 H new ATOM 27 N MET A 19 -5.682 5.179 4.561 1.00 0.00 N ATOM 28 CA MET A 19 -6.129 5.258 3.170 1.00 0.00 C ATOM 29 C MET A 19 -4.974 4.882 2.277 1.00 0.00 C ATOM 30 O MET A 19 -3.869 5.411 2.441 1.00 0.00 O ATOM 31 CB MET A 19 -6.621 6.669 2.840 1.00 0.00 C ATOM 32 CG MET A 19 -7.456 6.741 1.572 1.00 0.00 C ATOM 33 SD MET A 19 -7.624 8.423 0.946 1.00 0.00 S ATOM 34 CE MET A 19 -7.505 8.143 -0.820 1.00 0.00 C ATOM 0 H MET A 19 -5.085 5.952 4.855 1.00 0.00 H new ATOM 0 HA MET A 19 -6.961 4.572 3.012 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.212 7.044 3.676 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.760 7.330 2.736 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.999 6.116 0.805 1.00 0.00 H new ATOM 0 HG3 MET A 19 -8.446 6.330 1.770 1.00 0.00 H new ATOM 0 HE1 MET A 19 -7.592 9.094 -1.346 1.00 0.00 H new ATOM 0 HE2 MET A 19 -6.543 7.686 -1.052 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.308 7.478 -1.138 1.00 0.00 H new ATOM 44 N VAL A 20 -5.172 3.939 1.374 1.00 0.00 N ATOM 45 CA VAL A 20 -4.077 3.493 0.543 1.00 0.00 C ATOM 46 C VAL A 20 -4.508 3.158 -0.876 1.00 0.00 C ATOM 47 O VAL A 20 -5.698 3.113 -1.187 1.00 0.00 O ATOM 48 CB VAL A 20 -3.443 2.238 1.179 1.00 0.00 C ATOM 49 CG1 VAL A 20 -3.333 2.398 2.690 1.00 0.00 C ATOM 50 CG2 VAL A 20 -4.236 0.978 0.847 1.00 0.00 C ATOM 0 H VAL A 20 -6.065 3.476 1.201 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.363 4.314 0.482 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.444 2.131 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.884 1.502 3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.710 3.262 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.327 2.544 3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.759 0.115 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.253 1.078 1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.263 0.839 -0.234 1.00 0.00 H new ATOM 60 N GLU A 21 -3.531 2.831 -1.704 1.00 0.00 N ATOM 61 CA GLU A 21 -3.788 2.371 -3.064 1.00 0.00 C ATOM 62 C GLU A 21 -3.181 0.983 -3.116 1.00 0.00 C ATOM 63 O GLU A 21 -2.002 0.822 -2.798 1.00 0.00 O ATOM 64 CB GLU A 21 -3.152 3.293 -4.111 1.00 0.00 C ATOM 65 CG GLU A 21 -2.885 2.619 -5.450 1.00 0.00 C ATOM 66 CD GLU A 21 -2.877 3.601 -6.605 1.00 0.00 C ATOM 67 OE1 GLU A 21 -3.522 4.663 -6.486 1.00 0.00 O ATOM 68 OE2 GLU A 21 -2.226 3.306 -7.630 1.00 0.00 O ATOM 0 H GLU A 21 -2.542 2.875 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.853 2.370 -3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.807 4.150 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.212 3.680 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.925 2.104 -5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.646 1.860 -5.629 1.00 0.00 H new ATOM 75 N VAL A 22 -3.967 -0.033 -3.438 1.00 0.00 N ATOM 76 CA VAL A 22 -3.423 -1.385 -3.394 1.00 0.00 C ATOM 77 C VAL A 22 -3.660 -2.233 -4.620 1.00 0.00 C ATOM 78 O VAL A 22 -4.754 -2.262 -5.184 1.00 0.00 O ATOM 79 CB VAL A 22 -4.017 -2.141 -2.200 1.00 0.00 C ATOM 80 CG1 VAL A 22 -3.376 -3.516 -2.053 1.00 0.00 C ATOM 81 CG2 VAL A 22 -3.852 -1.329 -0.930 1.00 0.00 C ATOM 0 H VAL A 22 -4.944 0.043 -3.722 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.346 -1.235 -3.319 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.082 -2.288 -2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.814 -4.032 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.551 -4.098 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.303 -3.403 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.278 -1.877 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.792 -1.151 -0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.367 -0.374 -1.039 1.00 0.00 H new ATOM 91 N VAL A 23 -2.635 -3.017 -4.943 1.00 0.00 N ATOM 92 CA VAL A 23 -2.721 -3.985 -6.007 1.00 0.00 C ATOM 93 C VAL A 23 -2.352 -5.356 -5.427 1.00 0.00 C ATOM 94 O VAL A 23 -1.240 -5.575 -4.942 1.00 0.00 O ATOM 95 CB VAL A 23 -1.773 -3.645 -7.173 1.00 0.00 C ATOM 96 CG1 VAL A 23 -2.324 -2.488 -7.991 1.00 0.00 C ATOM 97 CG2 VAL A 23 -0.380 -3.322 -6.652 1.00 0.00 C ATOM 0 H VAL A 23 -1.731 -2.992 -4.471 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.735 -3.983 -6.406 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.701 -4.517 -7.823 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.640 -2.263 -8.810 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.298 -2.761 -8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.429 -1.610 -7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.276 -3.084 -7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.433 -2.467 -5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.016 -4.183 -6.114 1.00 0.00 H new ATOM 107 N GLU A 24 -3.302 -6.267 -5.496 1.00 0.00 N ATOM 108 CA GLU A 24 -3.132 -7.618 -4.988 1.00 0.00 C ATOM 109 C GLU A 24 -3.895 -8.629 -5.838 1.00 0.00 C ATOM 110 O GLU A 24 -4.617 -8.268 -6.779 1.00 0.00 O ATOM 111 CB GLU A 24 -3.601 -7.699 -3.534 1.00 0.00 C ATOM 112 CG GLU A 24 -4.866 -6.901 -3.253 1.00 0.00 C ATOM 113 CD GLU A 24 -5.099 -6.678 -1.770 1.00 0.00 C ATOM 114 OE1 GLU A 24 -4.425 -7.343 -0.955 1.00 0.00 O ATOM 115 OE2 GLU A 24 -5.953 -5.836 -1.424 1.00 0.00 O ATOM 0 H GLU A 24 -4.219 -6.092 -5.908 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.071 -7.864 -5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.776 -8.743 -3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.803 -7.339 -2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.801 -5.936 -3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.723 -7.425 -3.677 1.00 0.00 H new ATOM 122 N SER A 25 -3.727 -9.900 -5.493 1.00 0.00 N ATOM 123 CA SER A 25 -4.391 -10.989 -6.195 1.00 0.00 C ATOM 124 C SER A 25 -4.111 -10.946 -7.695 1.00 0.00 C ATOM 125 O SER A 25 -4.715 -10.160 -8.423 1.00 0.00 O ATOM 126 CB SER A 25 -5.900 -10.934 -5.943 1.00 0.00 C ATOM 127 OG SER A 25 -6.471 -9.756 -6.487 1.00 0.00 O ATOM 0 H SER A 25 -3.130 -10.203 -4.723 1.00 0.00 H new ATOM 0 HA SER A 25 -3.991 -11.926 -5.807 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.377 -11.809 -6.385 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.093 -10.973 -4.871 1.00 0.00 H new ATOM 0 HG SER A 25 -5.856 -9.368 -7.144 1.00 0.00 H new ATOM 133 N PRO A 26 -3.204 -11.814 -8.186 1.00 0.00 N ATOM 134 CA PRO A 26 -2.874 -11.882 -9.614 1.00 0.00 C ATOM 135 C PRO A 26 -4.025 -12.462 -10.433 1.00 0.00 C ATOM 136 O PRO A 26 -3.950 -12.544 -11.659 1.00 0.00 O ATOM 137 CB PRO A 26 -1.662 -12.815 -9.655 1.00 0.00 C ATOM 138 CG PRO A 26 -1.805 -13.673 -8.446 1.00 0.00 C ATOM 139 CD PRO A 26 -2.450 -12.808 -7.397 1.00 0.00 C ATOM 0 HA PRO A 26 -2.680 -10.898 -10.042 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.653 -13.413 -10.566 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.728 -12.253 -9.634 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.417 -14.549 -8.660 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.834 -14.037 -8.109 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.107 -13.387 -6.748 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.707 -12.332 -6.757 1.00 0.00 H new ATOM 147 N ASN A 27 -5.091 -12.860 -9.734 1.00 0.00 N ATOM 148 CA ASN A 27 -6.287 -13.434 -10.348 1.00 0.00 C ATOM 149 C ASN A 27 -6.598 -12.801 -11.703 1.00 0.00 C ATOM 150 O ASN A 27 -6.221 -11.660 -11.966 1.00 0.00 O ATOM 151 CB ASN A 27 -7.474 -13.236 -9.402 1.00 0.00 C ATOM 152 CG ASN A 27 -7.838 -14.505 -8.656 1.00 0.00 C ATOM 153 OD1 ASN A 27 -8.237 -15.501 -9.257 1.00 0.00 O ATOM 154 ND2 ASN A 27 -7.701 -14.473 -7.334 1.00 0.00 N ATOM 0 H ASN A 27 -5.147 -12.792 -8.718 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.105 -14.495 -10.519 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.235 -12.452 -8.684 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.337 -12.894 -9.973 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.930 -15.296 -6.777 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.366 -13.625 -6.876 1.00 0.00 H new ATOM 161 N HIS A 28 -7.303 -13.546 -12.555 1.00 0.00 N ATOM 162 CA HIS A 28 -7.679 -13.050 -13.878 1.00 0.00 C ATOM 163 C HIS A 28 -8.263 -11.648 -13.763 1.00 0.00 C ATOM 164 O HIS A 28 -8.051 -10.797 -14.626 1.00 0.00 O ATOM 165 CB HIS A 28 -8.695 -13.990 -14.529 1.00 0.00 C ATOM 166 CG HIS A 28 -9.894 -14.259 -13.675 1.00 0.00 C ATOM 167 ND1 HIS A 28 -9.891 -15.165 -12.637 1.00 0.00 N ATOM 168 CD2 HIS A 28 -11.143 -13.734 -13.708 1.00 0.00 C ATOM 169 CE1 HIS A 28 -11.084 -15.187 -12.069 1.00 0.00 C ATOM 170 NE2 HIS A 28 -11.861 -14.327 -12.700 1.00 0.00 N ATOM 0 H HIS A 28 -7.624 -14.493 -12.353 1.00 0.00 H new ATOM 0 HA HIS A 28 -6.787 -13.012 -14.504 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.022 -13.559 -15.475 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.206 -14.936 -14.762 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -11.506 -12.988 -14.399 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.374 -15.804 -11.231 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -12.837 -14.134 -12.475 1.00 0.00 H new ATOM 179 N SER A 29 -8.981 -11.419 -12.671 1.00 0.00 N ATOM 180 CA SER A 29 -9.587 -10.124 -12.403 1.00 0.00 C ATOM 181 C SER A 29 -8.924 -9.496 -11.183 1.00 0.00 C ATOM 182 O SER A 29 -9.546 -9.336 -10.136 1.00 0.00 O ATOM 183 CB SER A 29 -11.092 -10.274 -12.169 1.00 0.00 C ATOM 184 OG SER A 29 -11.386 -11.489 -11.502 1.00 0.00 O ATOM 0 H SER A 29 -9.158 -12.121 -11.952 1.00 0.00 H new ATOM 0 HA SER A 29 -9.439 -9.477 -13.267 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.457 -9.434 -11.578 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.616 -10.244 -13.124 1.00 0.00 H new ATOM 0 HG SER A 29 -12.354 -11.560 -11.363 1.00 0.00 H new ATOM 190 N GLU A 30 -7.646 -9.160 -11.326 1.00 0.00 N ATOM 191 CA GLU A 30 -6.865 -8.566 -10.244 1.00 0.00 C ATOM 192 C GLU A 30 -7.691 -7.590 -9.407 1.00 0.00 C ATOM 193 O GLU A 30 -8.572 -6.902 -9.923 1.00 0.00 O ATOM 194 CB GLU A 30 -5.644 -7.844 -10.818 1.00 0.00 C ATOM 195 CG GLU A 30 -4.723 -7.265 -9.757 1.00 0.00 C ATOM 196 CD GLU A 30 -3.354 -6.911 -10.302 1.00 0.00 C ATOM 197 OE1 GLU A 30 -3.286 -6.124 -11.269 1.00 0.00 O ATOM 198 OE2 GLU A 30 -2.348 -7.423 -9.764 1.00 0.00 O ATOM 0 H GLU A 30 -7.123 -9.291 -12.192 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.546 -9.377 -9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.078 -8.541 -11.437 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.982 -7.040 -11.471 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.182 -6.373 -9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.612 -7.985 -8.946 1.00 0.00 H new ATOM 205 N VAL A 31 -7.378 -7.523 -8.116 1.00 0.00 N ATOM 206 CA VAL A 31 -8.063 -6.616 -7.201 1.00 0.00 C ATOM 207 C VAL A 31 -7.125 -5.472 -6.887 1.00 0.00 C ATOM 208 O VAL A 31 -6.443 -5.477 -5.840 1.00 0.00 O ATOM 209 CB VAL A 31 -8.430 -7.312 -5.882 1.00 0.00 C ATOM 210 CG1 VAL A 31 -9.423 -6.482 -5.087 1.00 0.00 C ATOM 211 CG2 VAL A 31 -8.967 -8.717 -6.123 1.00 0.00 C ATOM 0 H VAL A 31 -6.651 -8.089 -7.679 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.982 -6.272 -7.676 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.517 -7.404 -5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.666 -6.997 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.985 -5.510 -4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.332 -6.342 -5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.216 -9.180 -5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.861 -8.663 -6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.209 -9.315 -6.629 1.00 0.00 H new ATOM 221 N GLY A 32 -7.115 -4.459 -7.724 1.00 0.00 N ATOM 222 CA GLY A 32 -6.276 -3.329 -7.467 1.00 0.00 C ATOM 223 C GLY A 32 -7.066 -2.077 -7.686 1.00 0.00 C ATOM 224 O GLY A 32 -7.417 -1.717 -8.790 1.00 0.00 O ATOM 0 H GLY A 32 -7.673 -4.401 -8.576 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.901 -3.363 -6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.408 -3.347 -8.126 1.00 0.00 H new ATOM 228 N ILE A 33 -7.264 -1.353 -6.642 1.00 0.00 N ATOM 229 CA ILE A 33 -7.971 -0.131 -6.728 1.00 0.00 C ATOM 230 C ILE A 33 -7.686 0.704 -5.532 1.00 0.00 C ATOM 231 O ILE A 33 -6.837 0.374 -4.691 1.00 0.00 O ATOM 232 CB ILE A 33 -9.490 -0.269 -6.953 1.00 0.00 C ATOM 233 CG1 ILE A 33 -10.276 -0.317 -5.645 1.00 0.00 C ATOM 234 CG2 ILE A 33 -9.841 -1.460 -7.831 1.00 0.00 C ATOM 235 CD1 ILE A 33 -11.404 0.690 -5.582 1.00 0.00 C ATOM 0 H ILE A 33 -6.939 -1.594 -5.705 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.603 0.360 -7.629 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.789 0.635 -7.483 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -10.686 -1.318 -5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.594 -0.139 -4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.922 -1.512 -7.958 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.366 -1.346 -8.805 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.487 -2.377 -7.359 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -11.919 0.600 -4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -10.999 1.697 -5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -12.107 0.499 -6.392 1.00 0.00 H new ATOM 247 N LYS A 34 -8.383 1.794 -5.481 1.00 0.00 N ATOM 248 CA LYS A 34 -8.267 2.672 -4.341 1.00 0.00 C ATOM 249 C LYS A 34 -8.962 1.901 -3.220 1.00 0.00 C ATOM 250 O LYS A 34 -10.111 1.491 -3.371 1.00 0.00 O ATOM 251 CB LYS A 34 -8.953 4.017 -4.595 1.00 0.00 C ATOM 252 CG LYS A 34 -8.154 4.945 -5.496 1.00 0.00 C ATOM 253 CD LYS A 34 -8.899 6.244 -5.757 1.00 0.00 C ATOM 254 CE LYS A 34 -7.977 7.311 -6.323 1.00 0.00 C ATOM 255 NZ LYS A 34 -8.635 8.646 -6.374 1.00 0.00 N ATOM 0 H LYS A 34 -9.034 2.103 -6.203 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.231 2.919 -4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.929 3.838 -5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.128 4.513 -3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.191 5.163 -5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.947 4.446 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.717 6.062 -6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.345 6.602 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.077 7.374 -5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.662 7.023 -7.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.972 9.345 -6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.480 8.594 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.913 8.933 -5.414 1.00 0.00 H new ATOM 269 N GLY A 35 -8.251 1.636 -2.145 1.00 0.00 N ATOM 270 CA GLY A 35 -8.810 0.829 -1.081 1.00 0.00 C ATOM 271 C GLY A 35 -8.403 1.252 0.309 1.00 0.00 C ATOM 272 O GLY A 35 -7.620 2.189 0.497 1.00 0.00 O ATOM 0 H GLY A 35 -7.298 1.962 -1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.897 0.860 -1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.510 -0.208 -1.233 1.00 0.00 H new ATOM 276 N GLU A 36 -8.955 0.542 1.285 1.00 0.00 N ATOM 277 CA GLU A 36 -8.673 0.821 2.692 1.00 0.00 C ATOM 278 C GLU A 36 -7.833 -0.290 3.315 1.00 0.00 C ATOM 279 O GLU A 36 -7.935 -1.457 2.911 1.00 0.00 O ATOM 280 CB GLU A 36 -9.980 0.983 3.471 1.00 0.00 C ATOM 281 CG GLU A 36 -10.967 1.932 2.810 1.00 0.00 C ATOM 282 CD GLU A 36 -11.813 1.253 1.752 1.00 0.00 C ATOM 283 OE1 GLU A 36 -12.025 0.026 1.859 1.00 0.00 O ATOM 284 OE2 GLU A 36 -12.264 1.946 0.815 1.00 0.00 O ATOM 0 H GLU A 36 -9.601 -0.232 1.130 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.106 1.750 2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.449 0.006 3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.754 1.347 4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.619 2.359 3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.421 2.759 2.357 1.00 0.00 H new ATOM 291 N VAL A 37 -7.003 0.074 4.302 1.00 0.00 N ATOM 292 CA VAL A 37 -6.152 -0.917 4.969 1.00 0.00 C ATOM 293 C VAL A 37 -6.390 -0.973 6.470 1.00 0.00 C ATOM 294 O VAL A 37 -6.271 0.028 7.175 1.00 0.00 O ATOM 295 CB VAL A 37 -4.656 -0.663 4.726 1.00 0.00 C ATOM 296 CG1 VAL A 37 -4.315 -0.793 3.255 1.00 0.00 C ATOM 297 CG2 VAL A 37 -4.248 0.700 5.251 1.00 0.00 C ATOM 0 H VAL A 37 -6.904 1.028 4.650 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.433 -1.872 4.525 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.095 -1.421 5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.250 -0.608 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.559 -1.799 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.890 -0.065 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.185 0.857 5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.822 1.473 4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.443 0.751 6.322 1.00 0.00 H new ATOM 307 N VAL A 38 -6.693 -2.173 6.941 1.00 0.00 N ATOM 308 CA VAL A 38 -6.919 -2.414 8.356 1.00 0.00 C ATOM 309 C VAL A 38 -6.079 -3.595 8.835 1.00 0.00 C ATOM 310 O VAL A 38 -5.956 -4.611 8.145 1.00 0.00 O ATOM 311 CB VAL A 38 -8.406 -2.690 8.658 1.00 0.00 C ATOM 312 CG1 VAL A 38 -9.226 -1.419 8.507 1.00 0.00 C ATOM 313 CG2 VAL A 38 -8.945 -3.789 7.755 1.00 0.00 C ATOM 0 H VAL A 38 -6.789 -3.003 6.356 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.622 -1.511 8.889 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.488 -3.030 9.690 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.272 -1.633 8.724 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.858 -0.664 9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.136 -1.047 7.486 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.995 -3.967 7.986 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.849 -3.484 6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.377 -4.705 7.918 1.00 0.00 H new ATOM 323 N ASP A 39 -5.490 -3.449 10.012 1.00 0.00 N ATOM 324 CA ASP A 39 -4.656 -4.496 10.587 1.00 0.00 C ATOM 325 C ASP A 39 -5.504 -5.486 11.378 1.00 0.00 C ATOM 326 O ASP A 39 -6.151 -5.117 12.359 1.00 0.00 O ATOM 327 CB ASP A 39 -3.583 -3.888 11.491 1.00 0.00 C ATOM 328 CG ASP A 39 -2.547 -3.101 10.713 1.00 0.00 C ATOM 329 OD1 ASP A 39 -2.936 -2.379 9.772 1.00 0.00 O ATOM 330 OD2 ASP A 39 -1.348 -3.207 11.046 1.00 0.00 O ATOM 0 H ASP A 39 -5.574 -2.613 10.590 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.169 -5.029 9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.057 -3.234 12.223 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.088 -4.684 12.048 1.00 0.00 H new ATOM 335 N GLU A 40 -5.501 -6.743 10.946 1.00 0.00 N ATOM 336 CA GLU A 40 -6.276 -7.784 11.615 1.00 0.00 C ATOM 337 C GLU A 40 -5.876 -7.906 13.080 1.00 0.00 C ATOM 338 O GLU A 40 -4.871 -8.536 13.410 1.00 0.00 O ATOM 339 CB GLU A 40 -6.083 -9.126 10.907 1.00 0.00 C ATOM 340 CG GLU A 40 -7.345 -9.971 10.854 1.00 0.00 C ATOM 341 CD GLU A 40 -7.131 -11.298 10.154 1.00 0.00 C ATOM 342 OE1 GLU A 40 -6.036 -11.878 10.304 1.00 0.00 O ATOM 343 OE2 GLU A 40 -8.058 -11.757 9.453 1.00 0.00 O ATOM 0 H GLU A 40 -4.971 -7.066 10.136 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.328 -7.504 11.569 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.734 -8.944 9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.300 -9.688 11.417 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.698 -10.153 11.869 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.128 -9.415 10.339 1.00 0.00 H new ATOM 350 N THR A 41 -6.674 -7.299 13.958 1.00 0.00 N ATOM 351 CA THR A 41 -6.417 -7.334 15.397 1.00 0.00 C ATOM 352 C THR A 41 -4.944 -7.075 15.706 1.00 0.00 C ATOM 353 O THR A 41 -4.372 -7.687 16.609 1.00 0.00 O ATOM 354 CB THR A 41 -6.847 -8.682 15.982 1.00 0.00 C ATOM 355 OG1 THR A 41 -6.746 -8.668 17.396 1.00 0.00 O ATOM 356 CG2 THR A 41 -6.027 -9.849 15.476 1.00 0.00 C ATOM 0 H THR A 41 -7.508 -6.774 13.696 1.00 0.00 H new ATOM 0 HA THR A 41 -7.004 -6.540 15.859 1.00 0.00 H new ATOM 0 HB THR A 41 -7.879 -8.820 15.658 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.857 -8.348 17.657 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.387 -10.771 15.932 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.123 -9.918 14.392 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.980 -9.699 15.739 1.00 0.00 H new ATOM 364 N GLN A 42 -4.337 -6.163 14.952 1.00 0.00 N ATOM 365 CA GLN A 42 -2.932 -5.824 15.146 1.00 0.00 C ATOM 366 C GLN A 42 -2.047 -7.054 14.971 1.00 0.00 C ATOM 367 O GLN A 42 -1.450 -7.546 15.928 1.00 0.00 O ATOM 368 CB GLN A 42 -2.718 -5.218 16.534 1.00 0.00 C ATOM 369 CG GLN A 42 -1.289 -4.765 16.788 1.00 0.00 C ATOM 370 CD GLN A 42 -0.979 -3.431 16.139 1.00 0.00 C ATOM 371 OE1 GLN A 42 -0.125 -3.339 15.257 1.00 0.00 O ATOM 372 NE2 GLN A 42 -1.673 -2.384 16.574 1.00 0.00 N ATOM 0 H GLN A 42 -4.796 -5.646 14.202 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.654 -5.089 14.391 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.387 -4.366 16.656 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.997 -5.953 17.289 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.120 -4.691 17.862 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.599 -5.519 16.409 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.372 -2.504 17.307 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.507 -1.460 16.175 1.00 0.00 H new ATOM 381 N ASN A 43 -1.969 -7.547 13.739 1.00 0.00 N ATOM 382 CA ASN A 43 -1.155 -8.722 13.436 1.00 0.00 C ATOM 383 C ASN A 43 -0.977 -8.877 11.930 1.00 0.00 C ATOM 384 O ASN A 43 0.059 -8.510 11.377 1.00 0.00 O ATOM 385 CB ASN A 43 -1.800 -9.979 14.026 1.00 0.00 C ATOM 386 CG ASN A 43 -1.103 -10.448 15.287 1.00 0.00 C ATOM 387 OD1 ASN A 43 0.105 -10.686 15.291 1.00 0.00 O ATOM 388 ND2 ASN A 43 -1.864 -10.584 16.367 1.00 0.00 N ATOM 0 H ASN A 43 -2.458 -7.153 12.935 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.172 -8.587 13.887 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.848 -9.777 14.247 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.779 -10.777 13.284 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.451 -10.897 17.246 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.861 -10.375 16.318 1.00 0.00 H new ATOM 395 N THR A 44 -1.998 -9.414 11.270 1.00 0.00 N ATOM 396 CA THR A 44 -1.959 -9.601 9.827 1.00 0.00 C ATOM 397 C THR A 44 -2.446 -8.342 9.128 1.00 0.00 C ATOM 398 O THR A 44 -3.078 -7.488 9.751 1.00 0.00 O ATOM 399 CB THR A 44 -2.821 -10.797 9.419 1.00 0.00 C ATOM 400 OG1 THR A 44 -2.921 -11.729 10.481 1.00 0.00 O ATOM 401 CG2 THR A 44 -2.288 -11.535 8.210 1.00 0.00 C ATOM 0 H THR A 44 -2.862 -9.727 11.713 1.00 0.00 H new ATOM 0 HA THR A 44 -0.930 -9.799 9.528 1.00 0.00 H new ATOM 0 HB THR A 44 -3.795 -10.378 9.168 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.863 -11.951 10.634 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.946 -12.371 7.975 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.246 -10.856 7.359 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.287 -11.910 8.425 1.00 0.00 H new ATOM 409 N LEU A 45 -2.157 -8.219 7.839 1.00 0.00 N ATOM 410 CA LEU A 45 -2.581 -7.044 7.089 1.00 0.00 C ATOM 411 C LEU A 45 -3.651 -7.406 6.070 1.00 0.00 C ATOM 412 O LEU A 45 -3.444 -8.273 5.222 1.00 0.00 O ATOM 413 CB LEU A 45 -1.384 -6.404 6.383 1.00 0.00 C ATOM 414 CG LEU A 45 -0.179 -6.121 7.280 1.00 0.00 C ATOM 415 CD1 LEU A 45 1.111 -6.161 6.474 1.00 0.00 C ATOM 416 CD2 LEU A 45 -0.335 -4.779 7.979 1.00 0.00 C ATOM 0 H LEU A 45 -1.637 -8.909 7.296 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.004 -6.328 7.794 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.068 -7.059 5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.708 -5.467 5.929 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.129 -6.899 8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.957 -5.957 7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.229 -7.147 6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.072 -5.407 5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.533 -4.596 8.613 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.414 -3.988 7.234 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.236 -4.791 8.592 1.00 0.00 H new ATOM 427 N LYS A 46 -4.790 -6.731 6.148 1.00 0.00 N ATOM 428 CA LYS A 46 -5.884 -6.979 5.219 1.00 0.00 C ATOM 429 C LYS A 46 -6.225 -5.703 4.467 1.00 0.00 C ATOM 430 O LYS A 46 -6.497 -4.669 5.077 1.00 0.00 O ATOM 431 CB LYS A 46 -7.113 -7.499 5.966 1.00 0.00 C ATOM 432 CG LYS A 46 -7.442 -6.711 7.221 1.00 0.00 C ATOM 433 CD LYS A 46 -8.728 -7.203 7.867 1.00 0.00 C ATOM 434 CE LYS A 46 -9.929 -6.985 6.960 1.00 0.00 C ATOM 435 NZ LYS A 46 -10.512 -8.272 6.492 1.00 0.00 N ATOM 0 H LYS A 46 -4.980 -6.009 6.843 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.570 -7.738 4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.972 -7.474 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.949 -8.542 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.620 -6.797 7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.539 -5.654 6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.636 -8.264 8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.885 -6.681 8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.689 -6.415 7.495 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.630 -6.388 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.328 -8.080 5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.795 -8.805 5.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.821 -8.832 7.312 1.00 0.00 H new ATOM 449 N ILE A 47 -6.200 -5.770 3.144 1.00 0.00 N ATOM 450 CA ILE A 47 -6.497 -4.601 2.326 1.00 0.00 C ATOM 451 C ILE A 47 -7.564 -4.913 1.295 1.00 0.00 C ATOM 452 O ILE A 47 -7.541 -5.978 0.680 1.00 0.00 O ATOM 453 CB ILE A 47 -5.244 -4.090 1.597 1.00 0.00 C ATOM 454 CG1 ILE A 47 -4.019 -4.164 2.512 1.00 0.00 C ATOM 455 CG2 ILE A 47 -5.470 -2.669 1.112 1.00 0.00 C ATOM 456 CD1 ILE A 47 -3.366 -5.528 2.538 1.00 0.00 C ATOM 0 H ILE A 47 -5.979 -6.614 2.616 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.858 -3.828 3.005 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.056 -4.727 0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.287 -3.426 2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.315 -3.893 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.578 -2.314 0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.317 -2.649 0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.678 -2.022 1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.505 -5.507 3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.083 -6.268 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.038 -5.794 1.533 1.00 0.00 H new ATOM 468 N MET A 48 -8.504 -3.997 1.102 1.00 0.00 N ATOM 469 CA MET A 48 -9.572 -4.226 0.129 1.00 0.00 C ATOM 470 C MET A 48 -9.644 -3.093 -0.890 1.00 0.00 C ATOM 471 O MET A 48 -9.691 -1.912 -0.507 1.00 0.00 O ATOM 472 CB MET A 48 -10.915 -4.359 0.849 1.00 0.00 C ATOM 473 CG MET A 48 -11.295 -3.133 1.665 1.00 0.00 C ATOM 474 SD MET A 48 -11.361 -3.465 3.437 1.00 0.00 S ATOM 475 CE MET A 48 -12.491 -2.187 3.980 1.00 0.00 C ATOM 0 H MET A 48 -8.553 -3.105 1.594 1.00 0.00 H new ATOM 0 HA MET A 48 -9.350 -5.151 -0.404 1.00 0.00 H new ATOM 0 HB2 MET A 48 -11.695 -4.550 0.112 1.00 0.00 H new ATOM 0 HB3 MET A 48 -10.880 -5.227 1.508 1.00 0.00 H new ATOM 0 HG2 MET A 48 -10.573 -2.338 1.476 1.00 0.00 H new ATOM 0 HG3 MET A 48 -12.266 -2.768 1.332 1.00 0.00 H new ATOM 0 HE1 MET A 48 -13.175 -2.598 4.723 1.00 0.00 H new ATOM 0 HE2 MET A 48 -11.926 -1.366 4.421 1.00 0.00 H new ATOM 0 HE3 MET A 48 -13.061 -1.819 3.127 1.00 0.00 H new ATOM 485 N THR A 49 -9.664 -3.444 -2.195 1.00 0.00 N ATOM 486 CA THR A 49 -9.743 -2.438 -3.230 1.00 0.00 C ATOM 487 C THR A 49 -11.143 -2.415 -3.853 1.00 0.00 C ATOM 488 O THR A 49 -12.034 -1.726 -3.352 1.00 0.00 O ATOM 489 CB THR A 49 -8.662 -2.681 -4.289 1.00 0.00 C ATOM 490 OG1 THR A 49 -8.977 -3.800 -5.098 1.00 0.00 O ATOM 491 CG2 THR A 49 -7.290 -2.922 -3.694 1.00 0.00 C ATOM 0 H THR A 49 -9.626 -4.405 -2.534 1.00 0.00 H new ATOM 0 HA THR A 49 -9.564 -1.459 -2.785 1.00 0.00 H new ATOM 0 HB THR A 49 -8.637 -1.767 -4.882 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.730 -3.612 -6.027 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.570 -3.087 -4.495 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.989 -2.053 -3.109 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.322 -3.800 -3.049 1.00 0.00 H new ATOM 499 N GLU A 50 -11.340 -3.149 -4.952 1.00 0.00 N ATOM 500 CA GLU A 50 -12.635 -3.174 -5.622 1.00 0.00 C ATOM 501 C GLU A 50 -13.068 -4.592 -5.948 1.00 0.00 C ATOM 502 O GLU A 50 -14.130 -5.033 -5.509 1.00 0.00 O ATOM 503 CB GLU A 50 -12.598 -2.356 -6.911 1.00 0.00 C ATOM 504 CG GLU A 50 -13.947 -2.251 -7.604 1.00 0.00 C ATOM 505 CD GLU A 50 -13.873 -2.587 -9.080 1.00 0.00 C ATOM 506 OE1 GLU A 50 -13.472 -3.722 -9.411 1.00 0.00 O ATOM 507 OE2 GLU A 50 -14.216 -1.715 -9.905 1.00 0.00 O ATOM 0 H GLU A 50 -10.624 -3.728 -5.390 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.356 -2.735 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.236 -1.353 -6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.881 -2.807 -7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.654 -2.923 -7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.335 -1.239 -7.485 1.00 0.00 H new ATOM 514 N LYS A 51 -12.254 -5.316 -6.721 1.00 0.00 N ATOM 515 CA LYS A 51 -12.613 -6.683 -7.075 1.00 0.00 C ATOM 516 C LYS A 51 -12.828 -7.526 -5.819 1.00 0.00 C ATOM 517 O LYS A 51 -13.451 -8.585 -5.870 1.00 0.00 O ATOM 518 CB LYS A 51 -11.547 -7.321 -7.963 1.00 0.00 C ATOM 519 CG LYS A 51 -12.034 -8.579 -8.665 1.00 0.00 C ATOM 520 CD LYS A 51 -11.919 -9.804 -7.768 1.00 0.00 C ATOM 521 CE LYS A 51 -10.890 -10.792 -8.291 1.00 0.00 C ATOM 522 NZ LYS A 51 -10.938 -12.087 -7.559 1.00 0.00 N ATOM 0 H LYS A 51 -11.367 -4.987 -7.102 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.546 -6.647 -7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.223 -6.597 -8.710 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.675 -7.565 -7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.072 -8.447 -8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.453 -8.737 -9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.644 -9.492 -6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.890 -10.294 -7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.064 -10.969 -9.352 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.893 -10.360 -8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.220 -12.732 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.747 -11.923 -6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.881 -12.512 -7.668 1.00 0.00 H new ATOM 536 N GLY A 52 -12.313 -7.041 -4.691 1.00 0.00 N ATOM 537 CA GLY A 52 -12.463 -7.754 -3.442 1.00 0.00 C ATOM 538 C GLY A 52 -11.406 -7.371 -2.424 1.00 0.00 C ATOM 539 O GLY A 52 -10.733 -6.344 -2.561 1.00 0.00 O ATOM 0 H GLY A 52 -11.794 -6.165 -4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.451 -7.552 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.409 -8.826 -3.631 1.00 0.00 H new ATOM 543 N LEU A 53 -11.264 -8.205 -1.401 1.00 0.00 N ATOM 544 CA LEU A 53 -10.290 -7.968 -0.350 1.00 0.00 C ATOM 545 C LEU A 53 -9.417 -9.198 -0.135 1.00 0.00 C ATOM 546 O LEU A 53 -9.903 -10.329 -0.145 1.00 0.00 O ATOM 547 CB LEU A 53 -10.995 -7.590 0.957 1.00 0.00 C ATOM 548 CG LEU A 53 -11.591 -8.761 1.740 1.00 0.00 C ATOM 549 CD1 LEU A 53 -12.087 -8.296 3.101 1.00 0.00 C ATOM 550 CD2 LEU A 53 -12.719 -9.410 0.952 1.00 0.00 C ATOM 0 H LEU A 53 -11.815 -9.055 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.652 -7.140 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.283 -7.071 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.793 -6.883 0.729 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.809 -9.504 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.508 -9.143 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.255 -7.879 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.854 -7.533 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.131 -10.241 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -13.502 -8.675 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.333 -9.780 0.002 1.00 0.00 H new ATOM 562 N LYS A 54 -8.129 -8.965 0.067 1.00 0.00 N ATOM 563 CA LYS A 54 -7.182 -10.039 0.295 1.00 0.00 C ATOM 564 C LYS A 54 -6.422 -9.820 1.601 1.00 0.00 C ATOM 565 O LYS A 54 -6.128 -8.682 1.979 1.00 0.00 O ATOM 566 CB LYS A 54 -6.199 -10.146 -0.873 1.00 0.00 C ATOM 567 CG LYS A 54 -6.870 -10.397 -2.214 1.00 0.00 C ATOM 568 CD LYS A 54 -7.359 -11.832 -2.334 1.00 0.00 C ATOM 569 CE LYS A 54 -8.699 -11.907 -3.046 1.00 0.00 C ATOM 570 NZ LYS A 54 -9.395 -13.198 -2.787 1.00 0.00 N ATOM 0 H LYS A 54 -7.716 -8.032 0.077 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.740 -10.972 0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.619 -9.225 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.495 -10.954 -0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.711 -9.714 -2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.167 -10.183 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.623 -12.424 -2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.449 -12.271 -1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.331 -11.082 -2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.547 -11.785 -4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.305 -13.209 -3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.804 -13.985 -3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.563 -13.303 -1.766 1.00 0.00 H new ATOM 584 N VAL A 55 -6.110 -10.918 2.284 1.00 0.00 N ATOM 585 CA VAL A 55 -5.386 -10.851 3.547 1.00 0.00 C ATOM 586 C VAL A 55 -4.102 -11.671 3.490 1.00 0.00 C ATOM 587 O VAL A 55 -4.120 -12.851 3.139 1.00 0.00 O ATOM 588 CB VAL A 55 -6.246 -11.351 4.721 1.00 0.00 C ATOM 589 CG1 VAL A 55 -7.495 -10.497 4.872 1.00 0.00 C ATOM 590 CG2 VAL A 55 -6.615 -12.816 4.533 1.00 0.00 C ATOM 0 H VAL A 55 -6.348 -11.863 1.983 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.140 -9.802 3.710 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.659 -11.263 5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.090 -10.867 5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.208 -9.463 5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.084 -10.549 3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.223 -13.149 5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.180 -12.933 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.707 -13.416 4.482 1.00 0.00 H new ATOM 600 N VAL A 56 -2.995 -11.037 3.845 1.00 0.00 N ATOM 601 CA VAL A 56 -1.698 -11.698 3.843 1.00 0.00 C ATOM 602 C VAL A 56 -0.879 -11.313 5.075 1.00 0.00 C ATOM 603 O VAL A 56 -1.180 -10.330 5.757 1.00 0.00 O ATOM 604 CB VAL A 56 -0.902 -11.352 2.566 1.00 0.00 C ATOM 605 CG1 VAL A 56 -0.507 -9.882 2.553 1.00 0.00 C ATOM 606 CG2 VAL A 56 0.325 -12.243 2.439 1.00 0.00 C ATOM 0 H VAL A 56 -2.969 -10.061 4.140 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.883 -12.772 3.866 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.546 -11.535 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.053 -9.664 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.404 -9.264 2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.114 -9.664 3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.872 -11.983 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.970 -12.099 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.013 -13.286 2.388 1.00 0.00 H new ATOM 616 N ALA A 57 0.158 -12.095 5.353 1.00 0.00 N ATOM 617 CA ALA A 57 1.027 -11.842 6.493 1.00 0.00 C ATOM 618 C ALA A 57 2.490 -11.834 6.066 1.00 0.00 C ATOM 619 O ALA A 57 2.904 -12.628 5.222 1.00 0.00 O ATOM 620 CB ALA A 57 0.794 -12.885 7.576 1.00 0.00 C ATOM 0 H ALA A 57 0.417 -12.913 4.801 1.00 0.00 H new ATOM 0 HA ALA A 57 0.786 -10.859 6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.451 -12.684 8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.245 -12.843 7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.009 -13.877 7.178 1.00 0.00 H new ATOM 626 N LYS A 58 3.270 -10.932 6.653 1.00 0.00 N ATOM 627 CA LYS A 58 4.691 -10.819 6.333 1.00 0.00 C ATOM 628 C LYS A 58 4.900 -10.182 4.961 1.00 0.00 C ATOM 629 O LYS A 58 5.394 -9.060 4.859 1.00 0.00 O ATOM 630 CB LYS A 58 5.364 -12.194 6.378 1.00 0.00 C ATOM 631 CG LYS A 58 6.768 -12.165 6.961 1.00 0.00 C ATOM 632 CD LYS A 58 6.756 -12.427 8.457 1.00 0.00 C ATOM 633 CE LYS A 58 7.842 -11.637 9.170 1.00 0.00 C ATOM 634 NZ LYS A 58 9.203 -12.010 8.695 1.00 0.00 N ATOM 0 H LYS A 58 2.943 -10.267 7.354 1.00 0.00 H new ATOM 0 HA LYS A 58 5.149 -10.175 7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.748 -12.872 6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.407 -12.601 5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.385 -12.914 6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.225 -11.195 6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.782 -12.160 8.866 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.898 -13.492 8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.681 -10.571 9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.772 -11.811 10.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.918 -11.512 9.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.336 -13.037 8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.307 -11.742 7.696 1.00 0.00 H new ATOM 648 N ARG A 59 4.526 -10.904 3.908 1.00 0.00 N ATOM 649 CA ARG A 59 4.684 -10.402 2.546 1.00 0.00 C ATOM 650 C ARG A 59 3.626 -10.983 1.612 1.00 0.00 C ATOM 651 O ARG A 59 3.067 -12.049 1.874 1.00 0.00 O ATOM 652 CB ARG A 59 6.080 -10.737 2.020 1.00 0.00 C ATOM 653 CG ARG A 59 6.373 -12.229 1.982 1.00 0.00 C ATOM 654 CD ARG A 59 7.198 -12.669 3.182 1.00 0.00 C ATOM 655 NE ARG A 59 8.528 -13.132 2.793 1.00 0.00 N ATOM 656 CZ ARG A 59 8.747 -14.212 2.047 1.00 0.00 C ATOM 657 NH1 ARG A 59 7.730 -14.943 1.608 1.00 0.00 N ATOM 658 NH2 ARG A 59 9.988 -14.562 1.737 1.00 0.00 N ATOM 0 H ARG A 59 4.113 -11.835 3.971 1.00 0.00 H new ATOM 0 HA ARG A 59 4.556 -9.320 2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.189 -10.328 1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.823 -10.245 2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.435 -12.784 1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.907 -12.472 1.064 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.294 -11.838 3.880 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.675 -13.468 3.708 1.00 0.00 H new ATOM 0 HE ARG A 59 9.335 -12.596 3.112 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.773 -14.678 1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.905 -15.770 1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.774 -14.004 2.070 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.157 -15.390 1.165 1.00 0.00 H new ATOM 672 N GLY A 60 3.358 -10.275 0.518 1.00 0.00 N ATOM 673 CA GLY A 60 2.371 -10.731 -0.446 1.00 0.00 C ATOM 674 C GLY A 60 1.769 -9.591 -1.245 1.00 0.00 C ATOM 675 O GLY A 60 1.237 -8.638 -0.675 1.00 0.00 O ATOM 0 H GLY A 60 3.808 -9.391 0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.836 -11.443 -1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.576 -11.263 0.077 1.00 0.00 H new ATOM 679 N ARG A 61 1.855 -9.686 -2.571 1.00 0.00 N ATOM 680 CA ARG A 61 1.312 -8.651 -3.447 1.00 0.00 C ATOM 681 C ARG A 61 2.046 -7.333 -3.237 1.00 0.00 C ATOM 682 O ARG A 61 3.005 -7.271 -2.462 1.00 0.00 O ATOM 683 CB ARG A 61 -0.184 -8.474 -3.190 1.00 0.00 C ATOM 684 CG ARG A 61 -0.964 -9.778 -3.258 1.00 0.00 C ATOM 685 CD ARG A 61 -0.693 -10.528 -4.553 1.00 0.00 C ATOM 686 NE ARG A 61 0.519 -11.340 -4.470 1.00 0.00 N ATOM 687 CZ ARG A 61 1.227 -11.729 -5.530 1.00 0.00 C ATOM 688 NH1 ARG A 61 0.843 -11.391 -6.755 1.00 0.00 N ATOM 689 NH2 ARG A 61 2.319 -12.462 -5.363 1.00 0.00 N ATOM 0 H ARG A 61 2.294 -10.466 -3.060 1.00 0.00 H new ATOM 0 HA ARG A 61 1.455 -8.962 -4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.326 -8.024 -2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.591 -7.776 -3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.695 -10.408 -2.410 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.031 -9.569 -3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.544 -11.168 -4.786 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.597 -9.815 -5.372 1.00 0.00 H new ATOM 0 HE ARG A 61 0.842 -11.626 -3.546 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.002 -10.830 -6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.389 -11.692 -7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.616 -12.728 -4.424 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.862 -12.760 -6.173 1.00 0.00 H new ATOM 703 N THR A 62 1.601 -6.271 -3.909 1.00 0.00 N ATOM 704 CA THR A 62 2.248 -4.972 -3.751 1.00 0.00 C ATOM 705 C THR A 62 1.236 -3.920 -3.326 1.00 0.00 C ATOM 706 O THR A 62 0.238 -3.698 -4.011 1.00 0.00 O ATOM 707 CB THR A 62 2.915 -4.551 -5.062 1.00 0.00 C ATOM 708 OG1 THR A 62 3.849 -5.530 -5.485 1.00 0.00 O ATOM 709 CG2 THR A 62 3.647 -3.231 -4.964 1.00 0.00 C ATOM 0 H THR A 62 0.812 -6.284 -4.555 1.00 0.00 H new ATOM 0 HA THR A 62 3.009 -5.059 -2.976 1.00 0.00 H new ATOM 0 HB THR A 62 2.101 -4.444 -5.779 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.264 -5.244 -6.326 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.097 -2.992 -5.928 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.945 -2.445 -4.686 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.428 -3.303 -4.207 1.00 0.00 H new ATOM 717 N PHE A 63 1.491 -3.258 -2.205 1.00 0.00 N ATOM 718 CA PHE A 63 0.576 -2.229 -1.730 1.00 0.00 C ATOM 719 C PHE A 63 1.330 -0.977 -1.260 1.00 0.00 C ATOM 720 O PHE A 63 2.484 -1.053 -0.832 1.00 0.00 O ATOM 721 CB PHE A 63 -0.291 -2.774 -0.591 1.00 0.00 C ATOM 722 CG PHE A 63 0.475 -3.522 0.465 1.00 0.00 C ATOM 723 CD1 PHE A 63 1.116 -4.714 0.164 1.00 0.00 C ATOM 724 CD2 PHE A 63 0.549 -3.035 1.760 1.00 0.00 C ATOM 725 CE1 PHE A 63 1.816 -5.405 1.135 1.00 0.00 C ATOM 726 CE2 PHE A 63 1.247 -3.722 2.736 1.00 0.00 C ATOM 727 CZ PHE A 63 1.881 -4.908 2.422 1.00 0.00 C ATOM 0 H PHE A 63 2.310 -3.411 -1.616 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.063 -1.944 -2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.818 -1.943 -0.121 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.049 -3.435 -1.011 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.068 -5.107 -0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.055 -2.107 2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.311 -6.332 0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.296 -3.332 3.742 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.427 -5.446 3.182 1.00 0.00 H new ATOM 737 N ARG A 64 0.657 0.168 -1.317 1.00 0.00 N ATOM 738 CA ARG A 64 1.226 1.442 -0.869 1.00 0.00 C ATOM 739 C ARG A 64 0.276 2.052 0.155 1.00 0.00 C ATOM 740 O ARG A 64 -0.922 2.143 -0.107 1.00 0.00 O ATOM 741 CB ARG A 64 1.421 2.396 -2.050 1.00 0.00 C ATOM 742 CG ARG A 64 2.441 1.906 -3.065 1.00 0.00 C ATOM 743 CD ARG A 64 2.056 2.310 -4.479 1.00 0.00 C ATOM 744 NE ARG A 64 1.744 3.732 -4.577 1.00 0.00 N ATOM 745 CZ ARG A 64 1.654 4.396 -5.728 1.00 0.00 C ATOM 746 NH1 ARG A 64 1.855 3.769 -6.880 1.00 0.00 N ATOM 747 NH2 ARG A 64 1.363 5.690 -5.726 1.00 0.00 N ATOM 0 H ARG A 64 -0.296 0.243 -1.673 1.00 0.00 H new ATOM 0 HA ARG A 64 2.205 1.271 -0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.464 2.542 -2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.735 3.369 -1.672 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.422 2.314 -2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.524 0.821 -3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.873 2.071 -5.159 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.193 1.727 -4.800 1.00 0.00 H new ATOM 0 HE ARG A 64 1.585 4.249 -3.712 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.080 2.774 -6.887 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.785 4.282 -7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.208 6.177 -4.843 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.294 6.199 -6.607 1.00 0.00 H new ATOM 761 N VAL A 65 0.779 2.421 1.334 1.00 0.00 N ATOM 762 CA VAL A 65 -0.099 2.952 2.380 1.00 0.00 C ATOM 763 C VAL A 65 0.219 4.385 2.823 1.00 0.00 C ATOM 764 O VAL A 65 1.376 4.766 2.993 1.00 0.00 O ATOM 765 CB VAL A 65 -0.071 2.039 3.623 1.00 0.00 C ATOM 766 CG1 VAL A 65 -0.408 0.608 3.240 1.00 0.00 C ATOM 767 CG2 VAL A 65 1.287 2.105 4.309 1.00 0.00 C ATOM 0 H VAL A 65 1.766 2.365 1.586 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.088 2.976 1.923 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.825 2.394 4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.384 -0.022 4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.404 0.574 2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.322 0.243 2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.285 1.454 5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.061 1.779 3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.488 3.130 4.621 1.00 0.00 H new ATOM 777 N TRP A 66 -0.856 5.145 3.046 1.00 0.00 N ATOM 778 CA TRP A 66 -0.789 6.524 3.516 1.00 0.00 C ATOM 779 C TRP A 66 -1.639 6.692 4.784 1.00 0.00 C ATOM 780 O TRP A 66 -2.821 6.325 4.820 1.00 0.00 O ATOM 781 CB TRP A 66 -1.301 7.499 2.453 1.00 0.00 C ATOM 782 CG TRP A 66 -0.820 7.224 1.062 1.00 0.00 C ATOM 783 CD1 TRP A 66 0.442 7.404 0.575 1.00 0.00 C ATOM 784 CD2 TRP A 66 -1.607 6.738 -0.030 1.00 0.00 C ATOM 785 NE1 TRP A 66 0.486 7.064 -0.756 1.00 0.00 N ATOM 786 CE2 TRP A 66 -0.760 6.650 -1.149 1.00 0.00 C ATOM 787 CE3 TRP A 66 -2.948 6.366 -0.169 1.00 0.00 C ATOM 788 CZ2 TRP A 66 -1.213 6.211 -2.390 1.00 0.00 C ATOM 789 CZ3 TRP A 66 -3.396 5.929 -1.395 1.00 0.00 C ATOM 790 CH2 TRP A 66 -2.529 5.855 -2.493 1.00 0.00 C ATOM 0 H TRP A 66 -1.809 4.812 2.902 1.00 0.00 H new ATOM 0 HA TRP A 66 0.256 6.747 3.730 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.391 7.478 2.456 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -1.001 8.509 2.733 1.00 0.00 H new ATOM 0 HD1 TRP A 66 1.283 7.761 1.151 1.00 0.00 H new ATOM 0 HE1 TRP A 66 1.311 7.112 -1.354 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.622 6.421 0.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -0.549 6.154 -3.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.430 5.639 -1.512 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -2.909 5.509 -3.443 1.00 0.00 H new ATOM 801 N TYR A 67 -1.024 7.260 5.820 1.00 0.00 N ATOM 802 CA TYR A 67 -1.708 7.493 7.087 1.00 0.00 C ATOM 803 C TYR A 67 -1.576 8.954 7.505 1.00 0.00 C ATOM 804 O TYR A 67 -0.722 9.679 6.995 1.00 0.00 O ATOM 805 CB TYR A 67 -1.130 6.586 8.176 1.00 0.00 C ATOM 806 CG TYR A 67 -1.863 6.675 9.497 1.00 0.00 C ATOM 807 CD1 TYR A 67 -3.228 6.430 9.577 1.00 0.00 C ATOM 808 CD2 TYR A 67 -1.187 7.006 10.665 1.00 0.00 C ATOM 809 CE1 TYR A 67 -3.899 6.512 10.782 1.00 0.00 C ATOM 810 CE2 TYR A 67 -1.851 7.089 11.874 1.00 0.00 C ATOM 811 CZ TYR A 67 -3.206 6.840 11.928 1.00 0.00 C ATOM 812 OH TYR A 67 -3.870 6.922 13.130 1.00 0.00 O ATOM 0 H TYR A 67 -0.051 7.567 5.805 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.765 7.260 6.955 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.154 5.554 7.827 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.083 6.845 8.334 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.774 6.171 8.682 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.126 7.202 10.627 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.961 6.320 10.826 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.311 7.348 12.773 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.236 7.162 13.838 1.00 0.00 H new ATOM 822 N LYS A 68 -2.424 9.381 8.434 1.00 0.00 N ATOM 823 CA LYS A 68 -2.398 10.755 8.918 1.00 0.00 C ATOM 824 C LYS A 68 -1.147 11.012 9.755 1.00 0.00 C ATOM 825 O LYS A 68 -1.231 11.261 10.957 1.00 0.00 O ATOM 826 CB LYS A 68 -3.652 11.053 9.744 1.00 0.00 C ATOM 827 CG LYS A 68 -4.945 10.652 9.052 1.00 0.00 C ATOM 828 CD LYS A 68 -6.142 10.809 9.976 1.00 0.00 C ATOM 829 CE LYS A 68 -6.196 9.700 11.014 1.00 0.00 C ATOM 830 NZ LYS A 68 -7.237 9.953 12.045 1.00 0.00 N ATOM 0 H LYS A 68 -3.138 8.795 8.867 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.378 11.419 8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.582 10.529 10.697 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.685 12.119 9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.088 11.265 8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.875 9.617 8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.091 11.775 10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.060 10.803 9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.399 8.750 10.519 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.223 9.607 11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.241 9.173 12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.030 10.847 12.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.169 10.016 11.589 1.00 0.00 H new ATOM 844 N GLY A 69 0.014 10.949 9.109 1.00 0.00 N ATOM 845 CA GLY A 69 1.264 11.175 9.808 1.00 0.00 C ATOM 846 C GLY A 69 2.476 10.935 8.928 1.00 0.00 C ATOM 847 O GLY A 69 3.427 11.715 8.947 1.00 0.00 O ATOM 0 H GLY A 69 0.110 10.745 8.114 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.287 12.199 10.181 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.314 10.518 10.676 1.00 0.00 H new ATOM 851 N LYS A 70 2.442 9.853 8.155 1.00 0.00 N ATOM 852 CA LYS A 70 3.550 9.516 7.266 1.00 0.00 C ATOM 853 C LYS A 70 3.104 8.549 6.173 1.00 0.00 C ATOM 854 O LYS A 70 1.992 8.014 6.215 1.00 0.00 O ATOM 855 CB LYS A 70 4.704 8.906 8.067 1.00 0.00 C ATOM 856 CG LYS A 70 5.806 9.900 8.398 1.00 0.00 C ATOM 857 CD LYS A 70 6.330 9.703 9.813 1.00 0.00 C ATOM 858 CE LYS A 70 7.481 10.649 10.116 1.00 0.00 C ATOM 859 NZ LYS A 70 7.434 11.148 11.519 1.00 0.00 N ATOM 0 H LYS A 70 1.662 9.196 8.126 1.00 0.00 H new ATOM 0 HA LYS A 70 3.891 10.435 6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.311 8.489 8.994 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.131 8.078 7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.624 9.787 7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.426 10.916 8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.524 9.869 10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.661 8.672 9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.427 10.136 9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.447 11.494 9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.235 11.790 11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.542 11.659 11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.492 10.344 12.176 1.00 0.00 H new ATOM 873 N ILE A 71 3.980 8.327 5.198 1.00 0.00 N ATOM 874 CA ILE A 71 3.684 7.424 4.093 1.00 0.00 C ATOM 875 C ILE A 71 4.787 6.384 3.917 1.00 0.00 C ATOM 876 O ILE A 71 5.974 6.708 3.964 1.00 0.00 O ATOM 877 CB ILE A 71 3.494 8.197 2.770 1.00 0.00 C ATOM 878 CG1 ILE A 71 4.780 8.938 2.383 1.00 0.00 C ATOM 879 CG2 ILE A 71 2.328 9.167 2.888 1.00 0.00 C ATOM 880 CD1 ILE A 71 5.070 10.157 3.234 1.00 0.00 C ATOM 0 H ILE A 71 4.902 8.761 5.151 1.00 0.00 H new ATOM 0 HA ILE A 71 2.753 6.915 4.341 1.00 0.00 H new ATOM 0 HB ILE A 71 3.268 7.480 1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.621 8.248 2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.710 9.245 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.206 9.705 1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.416 8.614 3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.526 9.878 3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.995 10.624 2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.250 10.869 3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.174 9.856 4.277 1.00 0.00 H new ATOM 892 N MET A 72 4.388 5.132 3.717 1.00 0.00 N ATOM 893 CA MET A 72 5.340 4.043 3.536 1.00 0.00 C ATOM 894 C MET A 72 4.906 3.120 2.398 1.00 0.00 C ATOM 895 O MET A 72 3.736 3.102 2.010 1.00 0.00 O ATOM 896 CB MET A 72 5.483 3.243 4.831 1.00 0.00 C ATOM 897 CG MET A 72 6.068 4.047 5.981 1.00 0.00 C ATOM 898 SD MET A 72 6.883 3.008 7.210 1.00 0.00 S ATOM 899 CE MET A 72 6.511 3.908 8.714 1.00 0.00 C ATOM 0 H MET A 72 3.410 4.847 3.676 1.00 0.00 H new ATOM 0 HA MET A 72 6.305 4.478 3.277 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.504 2.864 5.124 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.117 2.376 4.645 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.784 4.768 5.588 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.273 4.617 6.462 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.949 3.389 9.566 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.927 4.913 8.649 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.430 3.970 8.843 1.00 0.00 H new ATOM 909 N ARG A 73 5.855 2.354 1.868 1.00 0.00 N ATOM 910 CA ARG A 73 5.571 1.426 0.778 1.00 0.00 C ATOM 911 C ARG A 73 5.965 0.004 1.165 1.00 0.00 C ATOM 912 O ARG A 73 7.045 -0.222 1.711 1.00 0.00 O ATOM 913 CB ARG A 73 6.319 1.849 -0.486 1.00 0.00 C ATOM 914 CG ARG A 73 5.556 2.849 -1.340 1.00 0.00 C ATOM 915 CD ARG A 73 5.870 2.675 -2.817 1.00 0.00 C ATOM 916 NE ARG A 73 7.303 2.768 -3.087 1.00 0.00 N ATOM 917 CZ ARG A 73 7.880 2.308 -4.196 1.00 0.00 C ATOM 918 NH1 ARG A 73 7.151 1.723 -5.138 1.00 0.00 N ATOM 919 NH2 ARG A 73 9.190 2.435 -4.362 1.00 0.00 N ATOM 0 H ARG A 73 6.827 2.358 2.176 1.00 0.00 H new ATOM 0 HA ARG A 73 4.499 1.448 0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.278 2.283 -0.202 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.535 0.963 -1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.485 2.725 -1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.810 3.863 -1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.500 1.707 -3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.343 3.436 -3.392 1.00 0.00 H new ATOM 0 HE ARG A 73 7.896 3.211 -2.385 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.143 1.624 -5.015 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.598 1.373 -5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.754 2.884 -3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.633 2.083 -5.211 1.00 0.00 H new ATOM 933 N ILE A 74 5.085 -0.954 0.885 1.00 0.00 N ATOM 934 CA ILE A 74 5.353 -2.349 1.213 1.00 0.00 C ATOM 935 C ILE A 74 5.259 -3.246 -0.020 1.00 0.00 C ATOM 936 O ILE A 74 4.238 -3.274 -0.707 1.00 0.00 O ATOM 937 CB ILE A 74 4.378 -2.867 2.287 1.00 0.00 C ATOM 938 CG1 ILE A 74 4.314 -1.894 3.465 1.00 0.00 C ATOM 939 CG2 ILE A 74 4.794 -4.255 2.756 1.00 0.00 C ATOM 940 CD1 ILE A 74 2.921 -1.369 3.741 1.00 0.00 C ATOM 0 H ILE A 74 4.185 -0.790 0.434 1.00 0.00 H new ATOM 0 HA ILE A 74 6.371 -2.388 1.601 1.00 0.00 H new ATOM 0 HB ILE A 74 3.383 -2.938 1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.689 -2.393 4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.978 -1.053 3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.095 -4.607 3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.788 -4.942 1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.797 -4.210 3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.951 -0.685 4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.550 -0.841 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.257 -2.202 3.971 1.00 0.00 H new ATOM 952 N LYS A 75 6.334 -3.984 -0.279 1.00 0.00 N ATOM 953 CA LYS A 75 6.385 -4.896 -1.417 1.00 0.00 C ATOM 954 C LYS A 75 6.736 -6.308 -0.957 1.00 0.00 C ATOM 955 O LYS A 75 7.731 -6.517 -0.263 1.00 0.00 O ATOM 956 CB LYS A 75 7.411 -4.409 -2.443 1.00 0.00 C ATOM 957 CG LYS A 75 8.800 -4.195 -1.862 1.00 0.00 C ATOM 958 CD LYS A 75 9.069 -2.724 -1.582 1.00 0.00 C ATOM 959 CE LYS A 75 10.061 -2.140 -2.575 1.00 0.00 C ATOM 960 NZ LYS A 75 9.413 -1.792 -3.870 1.00 0.00 N ATOM 0 H LYS A 75 7.184 -3.968 0.285 1.00 0.00 H new ATOM 0 HA LYS A 75 5.401 -4.916 -1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.474 -5.134 -3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.061 -3.473 -2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.901 -4.766 -0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.548 -4.577 -2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.134 -2.166 -1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.456 -2.610 -0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.520 -1.248 -2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.862 -2.857 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.124 -1.397 -4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.997 -2.647 -4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.665 -1.088 -3.706 1.00 0.00 H new ATOM 974 N GLY A 76 5.910 -7.275 -1.341 1.00 0.00 N ATOM 975 CA GLY A 76 6.151 -8.651 -0.952 1.00 0.00 C ATOM 976 C GLY A 76 7.158 -9.343 -1.850 1.00 0.00 C ATOM 977 O GLY A 76 6.991 -9.378 -3.069 1.00 0.00 O ATOM 0 H GLY A 76 5.079 -7.130 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.510 -8.676 0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.210 -9.201 -0.975 1.00 0.00 H new ATOM 981 N ASP A 77 8.203 -9.898 -1.245 1.00 0.00 N ATOM 982 CA ASP A 77 9.240 -10.594 -1.996 1.00 0.00 C ATOM 983 C ASP A 77 8.763 -11.981 -2.417 1.00 0.00 C ATOM 984 O ASP A 77 7.857 -12.549 -1.806 1.00 0.00 O ATOM 985 CB ASP A 77 10.516 -10.710 -1.158 1.00 0.00 C ATOM 986 CG ASP A 77 11.741 -10.209 -1.898 1.00 0.00 C ATOM 987 OD1 ASP A 77 11.592 -9.309 -2.750 1.00 0.00 O ATOM 988 OD2 ASP A 77 12.847 -10.716 -1.623 1.00 0.00 O ATOM 0 H ASP A 77 8.354 -9.879 -0.236 1.00 0.00 H new ATOM 0 HA ASP A 77 9.458 -10.015 -2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.395 -10.142 -0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.667 -11.751 -0.874 1.00 0.00 H new TER 993 ASP A 77