USER MOD reduce.3.24.130724 H: found=0, std=0, add=1038, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1036 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 65 THR OG1 : rot 86:sc= -1.4 USER MOD Set 1.2: A 118 SER OG : rot 172:sc= -1.68! USER MOD Set 1.3: A 122 LYS NZ :NH3+ -168:sc= -4.01! (180deg=-2.79) USER MOD Single : A 1 MET CE :methyl -125:sc= -0.0514 (180deg=-0.451) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 157:sc= -2.91! (180deg=-3.33!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -24:sc= -1.11 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.207 F(o=-0.95,f=-0.21) USER MOD Single : A 21 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.22) USER MOD Single : A 23 THR OG1 : rot 64:sc= 1.19 USER MOD Single : A 29 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.0209) USER MOD Single : A 30 ASN : amide:sc= -2.07! C(o=-2.1!,f=-1.8!) USER MOD Single : A 34 MET CE :methyl 167:sc= -0.0901 (180deg=-0.21) USER MOD Single : A 38 ASN : amide:sc= -0.57 K(o=-0.57,f=-1.4) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -1.19 F(o=-2.5!,f=-1.2) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 169:sc= -7.75! (180deg=-8.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 158:sc= -5.33! (180deg=-6.26!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -105:sc= -8.84! (180deg=-11.4!) USER MOD Single : A 61 LYS NZ :NH3+ -158:sc= -0.274 (180deg=-1.48!) USER MOD Single : A 63 CYS SG : rot 77:sc= 0.613 USER MOD Single : A 64 HIS : no HD1:sc= -2.82! C(o=-2.8!,f=-2.7!) USER MOD Single : A 68 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.13) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0379 K(o=-0.038,f=-2.4!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -154:sc= 0.84 (180deg=0.549) USER MOD Single : A 81 THR OG1 : rot -50:sc= 0.0928 USER MOD Single : A 82 SER OG : rot 180:sc= -0.823! USER MOD Single : A 87 LYS NZ :NH3+ 151:sc= 0.24 (180deg=0.0168) USER MOD Single : A 94 MET CE :methyl -161:sc= -1.69 (180deg=-2.53) USER MOD Single : A 96 THR OG1 : rot 81:sc= 0.548 USER MOD Single : A 98 MET CE :methyl 159:sc= -5.77! (180deg=-6.77!) USER MOD Single : A 101 LYS NZ :NH3+ 148:sc= -2.68! (180deg=-3.61!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -3.01! C(o=-3!,f=-4!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 92:sc= 1.05 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ -121:sc= -0.044 (180deg=-0.436) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.270 -27.588 -8.278 1.00 0.00 N ATOM 2 CA MET A 1 6.996 -26.989 -7.786 1.00 0.00 C ATOM 3 C MET A 1 6.919 -27.089 -6.259 1.00 0.00 C ATOM 4 O MET A 1 6.297 -27.980 -5.715 1.00 0.00 O ATOM 5 CB MET A 1 5.890 -27.823 -8.434 1.00 0.00 C ATOM 6 CG MET A 1 4.526 -27.273 -8.015 1.00 0.00 C ATOM 7 SD MET A 1 4.158 -25.781 -8.971 1.00 0.00 S ATOM 8 CE MET A 1 3.660 -26.608 -10.502 1.00 0.00 C ATOM 0 H1 MET A 1 8.311 -27.514 -9.315 1.00 0.00 H new ATOM 0 H2 MET A 1 9.076 -27.079 -7.863 1.00 0.00 H new ATOM 0 H3 MET A 1 8.313 -28.589 -8.000 1.00 0.00 H new ATOM 0 HA MET A 1 6.912 -25.932 -8.040 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.987 -27.796 -9.519 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.982 -28.866 -8.132 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.753 -28.024 -8.180 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.526 -27.044 -6.949 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.256 -26.228 -11.331 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.818 -27.682 -10.404 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.605 -26.413 -10.694 1.00 0.00 H new ATOM 20 N MET A 2 7.547 -26.180 -5.565 1.00 0.00 N ATOM 21 CA MET A 2 7.511 -26.220 -4.075 1.00 0.00 C ATOM 22 C MET A 2 6.547 -25.158 -3.539 1.00 0.00 C ATOM 23 O MET A 2 6.129 -24.268 -4.253 1.00 0.00 O ATOM 24 CB MET A 2 8.943 -25.911 -3.634 1.00 0.00 C ATOM 25 CG MET A 2 9.459 -27.034 -2.734 1.00 0.00 C ATOM 26 SD MET A 2 11.230 -26.804 -2.439 1.00 0.00 S ATOM 27 CE MET A 2 11.100 -25.282 -1.470 1.00 0.00 C ATOM 0 H MET A 2 8.084 -25.411 -5.965 1.00 0.00 H new ATOM 0 HA MET A 2 7.166 -27.183 -3.698 1.00 0.00 H new ATOM 0 HB2 MET A 2 9.588 -25.806 -4.507 1.00 0.00 H new ATOM 0 HB3 MET A 2 8.972 -24.961 -3.100 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.919 -27.033 -1.787 1.00 0.00 H new ATOM 0 HG3 MET A 2 9.280 -28.002 -3.203 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.987 -25.171 -0.846 1.00 0.00 H new ATOM 0 HE2 MET A 2 11.020 -24.428 -2.143 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.214 -25.329 -0.836 1.00 0.00 H new ATOM 37 N GLU A 3 6.193 -25.243 -2.286 1.00 0.00 N ATOM 38 CA GLU A 3 5.258 -24.236 -1.704 1.00 0.00 C ATOM 39 C GLU A 3 5.993 -23.333 -0.731 1.00 0.00 C ATOM 40 O GLU A 3 5.480 -22.328 -0.283 1.00 0.00 O ATOM 41 CB GLU A 3 4.215 -25.045 -0.945 1.00 0.00 C ATOM 42 CG GLU A 3 4.921 -25.993 0.025 1.00 0.00 C ATOM 43 CD GLU A 3 3.905 -26.560 1.016 1.00 0.00 C ATOM 44 OE1 GLU A 3 2.727 -26.298 0.844 1.00 0.00 O ATOM 45 OE2 GLU A 3 4.324 -27.248 1.933 1.00 0.00 O ATOM 0 H GLU A 3 6.510 -25.965 -1.639 1.00 0.00 H new ATOM 0 HA GLU A 3 4.819 -23.606 -2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.547 -24.379 -0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.599 -25.612 -1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.399 -26.803 -0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.709 -25.462 0.560 1.00 0.00 H new ATOM 52 N GLU A 4 7.184 -23.692 -0.383 1.00 0.00 N ATOM 53 CA GLU A 4 7.937 -22.860 0.583 1.00 0.00 C ATOM 54 C GLU A 4 8.235 -21.491 -0.020 1.00 0.00 C ATOM 55 O GLU A 4 8.653 -20.573 0.659 1.00 0.00 O ATOM 56 CB GLU A 4 9.229 -23.628 0.866 1.00 0.00 C ATOM 57 CG GLU A 4 10.090 -22.827 1.845 1.00 0.00 C ATOM 58 CD GLU A 4 10.695 -23.773 2.884 1.00 0.00 C ATOM 59 OE1 GLU A 4 11.752 -24.319 2.616 1.00 0.00 O ATOM 60 OE2 GLU A 4 10.088 -23.936 3.930 1.00 0.00 O ATOM 0 H GLU A 4 7.671 -24.522 -0.722 1.00 0.00 H new ATOM 0 HA GLU A 4 7.373 -22.683 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.999 -24.608 1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.775 -23.798 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.882 -22.306 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.486 -22.066 2.339 1.00 0.00 H new ATOM 67 N TYR A 5 8.009 -21.347 -1.290 1.00 0.00 N ATOM 68 CA TYR A 5 8.265 -20.036 -1.947 1.00 0.00 C ATOM 69 C TYR A 5 7.190 -19.040 -1.540 1.00 0.00 C ATOM 70 O TYR A 5 7.441 -17.865 -1.362 1.00 0.00 O ATOM 71 CB TYR A 5 8.202 -20.319 -3.450 1.00 0.00 C ATOM 72 CG TYR A 5 9.443 -21.064 -3.881 1.00 0.00 C ATOM 73 CD1 TYR A 5 10.705 -20.472 -3.732 1.00 0.00 C ATOM 74 CD2 TYR A 5 9.333 -22.346 -4.433 1.00 0.00 C ATOM 75 CE1 TYR A 5 11.854 -21.164 -4.136 1.00 0.00 C ATOM 76 CE2 TYR A 5 10.482 -23.037 -4.837 1.00 0.00 C ATOM 77 CZ TYR A 5 11.742 -22.446 -4.687 1.00 0.00 C ATOM 78 OH TYR A 5 12.874 -23.128 -5.085 1.00 0.00 O ATOM 0 H TYR A 5 7.657 -22.080 -1.906 1.00 0.00 H new ATOM 0 HA TYR A 5 9.226 -19.607 -1.662 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.314 -20.907 -3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.118 -19.383 -4.003 1.00 0.00 H new ATOM 0 HD1 TYR A 5 10.791 -19.483 -3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.361 -22.802 -4.547 1.00 0.00 H new ATOM 0 HE1 TYR A 5 12.827 -20.708 -4.022 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.396 -24.025 -5.264 1.00 0.00 H new ATOM 0 HH TYR A 5 12.619 -24.003 -5.444 1.00 0.00 H new ATOM 88 N LEU A 6 5.999 -19.515 -1.382 1.00 0.00 N ATOM 89 CA LEU A 6 4.879 -18.620 -0.973 1.00 0.00 C ATOM 90 C LEU A 6 4.969 -18.338 0.529 1.00 0.00 C ATOM 91 O LEU A 6 4.569 -17.293 1.002 1.00 0.00 O ATOM 92 CB LEU A 6 3.598 -19.395 -1.316 1.00 0.00 C ATOM 93 CG LEU A 6 3.274 -20.397 -0.204 1.00 0.00 C ATOM 94 CD1 LEU A 6 2.455 -19.706 0.887 1.00 0.00 C ATOM 95 CD2 LEU A 6 2.469 -21.564 -0.783 1.00 0.00 C ATOM 0 H LEU A 6 5.742 -20.493 -1.518 1.00 0.00 H new ATOM 0 HA LEU A 6 4.904 -17.655 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.767 -18.701 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.724 -19.919 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 6 4.203 -20.773 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.225 -20.421 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.028 -18.877 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.527 -19.327 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.239 -22.276 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.541 -21.188 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.053 -22.060 -1.558 1.00 0.00 H new ATOM 107 N GLY A 7 5.497 -19.266 1.280 1.00 0.00 N ATOM 108 CA GLY A 7 5.619 -19.055 2.749 1.00 0.00 C ATOM 109 C GLY A 7 6.531 -17.857 3.012 1.00 0.00 C ATOM 110 O GLY A 7 6.289 -17.063 3.899 1.00 0.00 O ATOM 0 H GLY A 7 5.849 -20.161 0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.636 -18.881 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.026 -19.948 3.224 1.00 0.00 H new ATOM 114 N VAL A 8 7.580 -17.717 2.247 1.00 0.00 N ATOM 115 CA VAL A 8 8.507 -16.569 2.456 1.00 0.00 C ATOM 116 C VAL A 8 7.948 -15.310 1.805 1.00 0.00 C ATOM 117 O VAL A 8 8.172 -14.205 2.258 1.00 0.00 O ATOM 118 CB VAL A 8 9.818 -16.987 1.790 1.00 0.00 C ATOM 119 CG1 VAL A 8 10.739 -15.774 1.669 1.00 0.00 C ATOM 120 CG2 VAL A 8 10.499 -18.063 2.638 1.00 0.00 C ATOM 0 H VAL A 8 7.835 -18.348 1.487 1.00 0.00 H new ATOM 0 HA VAL A 8 8.645 -16.340 3.513 1.00 0.00 H new ATOM 0 HB VAL A 8 9.610 -17.384 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.674 -16.073 1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.254 -15.008 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.948 -15.375 2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.434 -18.362 2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.706 -17.666 3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.842 -18.929 2.723 1.00 0.00 H new ATOM 130 N PHE A 9 7.215 -15.477 0.754 1.00 0.00 N ATOM 131 CA PHE A 9 6.621 -14.297 0.065 1.00 0.00 C ATOM 132 C PHE A 9 5.667 -13.583 1.021 1.00 0.00 C ATOM 133 O PHE A 9 5.534 -12.375 1.002 1.00 0.00 O ATOM 134 CB PHE A 9 5.865 -14.867 -1.138 1.00 0.00 C ATOM 135 CG PHE A 9 6.804 -14.993 -2.316 1.00 0.00 C ATOM 136 CD1 PHE A 9 7.716 -13.969 -2.604 1.00 0.00 C ATOM 137 CD2 PHE A 9 6.765 -16.139 -3.120 1.00 0.00 C ATOM 138 CE1 PHE A 9 8.586 -14.092 -3.695 1.00 0.00 C ATOM 139 CE2 PHE A 9 7.636 -16.261 -4.210 1.00 0.00 C ATOM 140 CZ PHE A 9 8.546 -15.238 -4.497 1.00 0.00 C ATOM 0 H PHE A 9 6.996 -16.381 0.334 1.00 0.00 H new ATOM 0 HA PHE A 9 7.371 -13.571 -0.250 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.446 -15.842 -0.888 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.028 -14.217 -1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 9 7.748 -13.085 -1.985 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.063 -16.929 -2.899 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.288 -13.302 -3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 9 7.605 -17.145 -4.829 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.218 -15.333 -5.337 1.00 0.00 H new ATOM 150 N VAL A 10 5.011 -14.325 1.873 1.00 0.00 N ATOM 151 CA VAL A 10 4.078 -13.695 2.846 1.00 0.00 C ATOM 152 C VAL A 10 4.882 -13.037 3.970 1.00 0.00 C ATOM 153 O VAL A 10 4.630 -11.911 4.348 1.00 0.00 O ATOM 154 CB VAL A 10 3.230 -14.845 3.388 1.00 0.00 C ATOM 155 CG1 VAL A 10 2.239 -14.306 4.421 1.00 0.00 C ATOM 156 CG2 VAL A 10 2.463 -15.496 2.235 1.00 0.00 C ATOM 0 H VAL A 10 5.082 -15.341 1.936 1.00 0.00 H new ATOM 0 HA VAL A 10 3.458 -12.921 2.394 1.00 0.00 H new ATOM 0 HB VAL A 10 3.877 -15.585 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.634 -15.126 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.786 -13.840 5.241 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.590 -13.567 3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.857 -16.317 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.815 -14.756 1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.169 -15.880 1.499 1.00 0.00 H new ATOM 166 N ASP A 11 5.858 -13.726 4.498 1.00 0.00 N ATOM 167 CA ASP A 11 6.681 -13.124 5.584 1.00 0.00 C ATOM 168 C ASP A 11 7.360 -11.866 5.062 1.00 0.00 C ATOM 169 O ASP A 11 7.772 -11.002 5.809 1.00 0.00 O ATOM 170 CB ASP A 11 7.712 -14.192 5.951 1.00 0.00 C ATOM 171 CG ASP A 11 7.291 -14.888 7.246 1.00 0.00 C ATOM 172 OD1 ASP A 11 6.567 -15.865 7.160 1.00 0.00 O ATOM 173 OD2 ASP A 11 7.701 -14.432 8.300 1.00 0.00 O ATOM 0 H ASP A 11 6.119 -14.674 4.226 1.00 0.00 H new ATOM 0 HA ASP A 11 6.088 -12.836 6.452 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.797 -14.921 5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.695 -13.736 6.074 1.00 0.00 H new ATOM 178 N GLU A 12 7.456 -11.761 3.774 1.00 0.00 N ATOM 179 CA GLU A 12 8.085 -10.559 3.160 1.00 0.00 C ATOM 180 C GLU A 12 7.026 -9.470 2.990 1.00 0.00 C ATOM 181 O GLU A 12 7.286 -8.299 3.185 1.00 0.00 O ATOM 182 CB GLU A 12 8.605 -11.029 1.801 1.00 0.00 C ATOM 183 CG GLU A 12 9.899 -11.824 1.996 1.00 0.00 C ATOM 184 CD GLU A 12 11.089 -10.996 1.507 1.00 0.00 C ATOM 185 OE1 GLU A 12 11.437 -10.039 2.179 1.00 0.00 O ATOM 186 OE2 GLU A 12 11.633 -11.333 0.469 1.00 0.00 O ATOM 0 H GLU A 12 7.124 -12.460 3.110 1.00 0.00 H new ATOM 0 HA GLU A 12 8.888 -10.143 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.856 -11.648 1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.787 -10.172 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.027 -12.077 3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.847 -12.764 1.446 1.00 0.00 H new ATOM 193 N THR A 13 5.826 -9.852 2.641 1.00 0.00 N ATOM 194 CA THR A 13 4.742 -8.844 2.473 1.00 0.00 C ATOM 195 C THR A 13 4.443 -8.185 3.819 1.00 0.00 C ATOM 196 O THR A 13 4.203 -6.998 3.902 1.00 0.00 O ATOM 197 CB THR A 13 3.527 -9.637 1.987 1.00 0.00 C ATOM 198 OG1 THR A 13 3.269 -10.706 2.886 1.00 0.00 O ATOM 199 CG2 THR A 13 3.808 -10.196 0.592 1.00 0.00 C ATOM 0 H THR A 13 5.551 -10.818 2.465 1.00 0.00 H new ATOM 0 HA THR A 13 5.013 -8.053 1.773 1.00 0.00 H new ATOM 0 HB THR A 13 2.657 -8.982 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.093 -10.938 3.363 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.943 -10.761 0.245 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.004 -9.374 -0.097 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.678 -10.852 0.631 1.00 0.00 H new ATOM 207 N LYS A 14 4.470 -8.947 4.878 1.00 0.00 N ATOM 208 CA LYS A 14 4.202 -8.365 6.221 1.00 0.00 C ATOM 209 C LYS A 14 5.349 -7.435 6.601 1.00 0.00 C ATOM 210 O LYS A 14 5.143 -6.338 7.081 1.00 0.00 O ATOM 211 CB LYS A 14 4.138 -9.562 7.173 1.00 0.00 C ATOM 212 CG LYS A 14 2.788 -10.267 7.022 1.00 0.00 C ATOM 213 CD LYS A 14 3.014 -11.715 6.583 1.00 0.00 C ATOM 214 CE LYS A 14 2.550 -12.666 7.690 1.00 0.00 C ATOM 215 NZ LYS A 14 3.728 -12.808 8.591 1.00 0.00 N ATOM 0 H LYS A 14 4.666 -9.948 4.870 1.00 0.00 H new ATOM 0 HA LYS A 14 3.281 -7.783 6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.949 -10.257 6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.272 -9.229 8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.246 -10.243 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.173 -9.745 6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.465 -11.917 5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.070 -11.880 6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.690 -12.261 8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.246 -13.630 7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.489 -13.446 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.529 -13.202 8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.990 -11.875 8.970 1.00 0.00 H new ATOM 229 N GLU A 15 6.559 -7.860 6.369 1.00 0.00 N ATOM 230 CA GLU A 15 7.718 -6.993 6.694 1.00 0.00 C ATOM 231 C GLU A 15 7.660 -5.743 5.817 1.00 0.00 C ATOM 232 O GLU A 15 8.252 -4.723 6.108 1.00 0.00 O ATOM 233 CB GLU A 15 8.949 -7.870 6.395 1.00 0.00 C ATOM 234 CG GLU A 15 9.818 -7.253 5.292 1.00 0.00 C ATOM 235 CD GLU A 15 11.184 -7.941 5.272 1.00 0.00 C ATOM 236 OE1 GLU A 15 12.027 -7.564 6.068 1.00 0.00 O ATOM 237 OE2 GLU A 15 11.363 -8.834 4.460 1.00 0.00 O ATOM 0 H GLU A 15 6.792 -8.769 5.969 1.00 0.00 H new ATOM 0 HA GLU A 15 7.739 -6.642 7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.541 -7.991 7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.624 -8.865 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.329 -7.364 4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.940 -6.184 5.466 1.00 0.00 H new ATOM 244 N TYR A 16 6.938 -5.838 4.745 1.00 0.00 N ATOM 245 CA TYR A 16 6.802 -4.687 3.815 1.00 0.00 C ATOM 246 C TYR A 16 5.620 -3.813 4.232 1.00 0.00 C ATOM 247 O TYR A 16 5.646 -2.615 4.068 1.00 0.00 O ATOM 248 CB TYR A 16 6.553 -5.310 2.441 1.00 0.00 C ATOM 249 CG TYR A 16 7.785 -5.155 1.582 1.00 0.00 C ATOM 250 CD1 TYR A 16 8.389 -3.900 1.441 1.00 0.00 C ATOM 251 CD2 TYR A 16 8.318 -6.267 0.921 1.00 0.00 C ATOM 252 CE1 TYR A 16 9.529 -3.759 0.641 1.00 0.00 C ATOM 253 CE2 TYR A 16 9.457 -6.126 0.120 1.00 0.00 C ATOM 254 CZ TYR A 16 10.063 -4.872 -0.021 1.00 0.00 C ATOM 255 OH TYR A 16 11.184 -4.732 -0.813 1.00 0.00 O ATOM 0 H TYR A 16 6.427 -6.676 4.467 1.00 0.00 H new ATOM 0 HA TYR A 16 7.686 -4.049 3.815 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.304 -6.366 2.549 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.701 -4.829 1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.976 -3.041 1.949 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.850 -7.234 1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.997 -2.792 0.534 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.868 -6.985 -0.389 1.00 0.00 H new ATOM 0 HH TYR A 16 11.423 -5.601 -1.198 1.00 0.00 H new ATOM 265 N LEU A 17 4.588 -4.393 4.783 1.00 0.00 N ATOM 266 CA LEU A 17 3.432 -3.560 5.218 1.00 0.00 C ATOM 267 C LEU A 17 3.898 -2.633 6.331 1.00 0.00 C ATOM 268 O LEU A 17 3.541 -1.473 6.389 1.00 0.00 O ATOM 269 CB LEU A 17 2.388 -4.545 5.738 1.00 0.00 C ATOM 270 CG LEU A 17 1.817 -5.333 4.565 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.063 -6.557 5.088 1.00 0.00 C ATOM 272 CD2 LEU A 17 0.857 -4.441 3.774 1.00 0.00 C ATOM 0 H LEU A 17 4.496 -5.395 4.949 1.00 0.00 H new ATOM 0 HA LEU A 17 3.022 -2.947 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.839 -5.223 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.591 -4.010 6.255 1.00 0.00 H new ATOM 0 HG LEU A 17 2.630 -5.660 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.655 -7.119 4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.746 -7.192 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.249 -6.233 5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.447 -5.002 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.045 -4.115 4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.395 -3.570 3.400 1.00 0.00 H new ATOM 284 N GLN A 18 4.725 -3.140 7.194 1.00 0.00 N ATOM 285 CA GLN A 18 5.263 -2.298 8.290 1.00 0.00 C ATOM 286 C GLN A 18 6.219 -1.301 7.674 1.00 0.00 C ATOM 287 O GLN A 18 6.142 -0.108 7.895 1.00 0.00 O ATOM 288 CB GLN A 18 5.961 -3.290 9.219 1.00 0.00 C ATOM 289 CG GLN A 18 7.455 -2.974 9.368 1.00 0.00 C ATOM 290 CD GLN A 18 8.074 -3.917 10.401 1.00 0.00 C ATOM 291 OE1 GLN A 18 8.549 -4.982 10.060 1.00 0.00 O ATOM 292 NE2 GLN A 18 8.087 -3.571 11.658 1.00 0.00 N ATOM 0 H GLN A 18 5.053 -4.106 7.188 1.00 0.00 H new ATOM 0 HA GLN A 18 4.518 -1.726 8.842 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.485 -3.267 10.199 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.840 -4.301 8.829 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.959 -3.087 8.408 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.589 -1.938 9.679 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.688 -2.677 11.945 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.496 -4.194 12.354 1.00 0.00 H new ATOM 301 N ASN A 19 7.079 -1.794 6.853 1.00 0.00 N ATOM 302 CA ASN A 19 8.017 -0.900 6.145 1.00 0.00 C ATOM 303 C ASN A 19 7.177 0.030 5.287 1.00 0.00 C ATOM 304 O ASN A 19 7.557 1.141 4.967 1.00 0.00 O ATOM 305 CB ASN A 19 8.881 -1.829 5.288 1.00 0.00 C ATOM 306 CG ASN A 19 9.627 -1.011 4.231 1.00 0.00 C ATOM 307 OD1 ASN A 19 8.996 -0.620 3.158 1.00 0.00 O flip ATOM 308 ND2 ASN A 19 10.799 -0.727 4.382 1.00 0.00 N flip ATOM 0 H ASN A 19 7.177 -2.786 6.637 1.00 0.00 H new ATOM 0 HA ASN A 19 8.647 -0.294 6.796 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.593 -2.363 5.918 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.256 -2.580 4.806 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.294 -1.032 5.220 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.288 -0.184 3.670 1.00 0.00 H new ATOM 315 N LEU A 20 6.008 -0.428 4.948 1.00 0.00 N ATOM 316 CA LEU A 20 5.081 0.399 4.137 1.00 0.00 C ATOM 317 C LEU A 20 4.177 1.196 5.067 1.00 0.00 C ATOM 318 O LEU A 20 3.513 2.126 4.658 1.00 0.00 O ATOM 319 CB LEU A 20 4.270 -0.587 3.295 1.00 0.00 C ATOM 320 CG LEU A 20 3.067 0.133 2.683 1.00 0.00 C ATOM 321 CD1 LEU A 20 3.555 1.196 1.697 1.00 0.00 C ATOM 322 CD2 LEU A 20 2.186 -0.879 1.944 1.00 0.00 C ATOM 0 H LEU A 20 5.652 -1.350 5.201 1.00 0.00 H new ATOM 0 HA LEU A 20 5.605 1.111 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.894 -1.008 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.933 -1.419 3.914 1.00 0.00 H new ATOM 0 HG LEU A 20 2.489 0.609 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.698 1.709 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.182 1.918 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.134 0.720 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.329 -0.365 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.765 -1.355 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.837 -1.637 2.645 1.00 0.00 H new ATOM 334 N ASN A 21 4.187 0.867 6.327 1.00 0.00 N ATOM 335 CA ASN A 21 3.376 1.635 7.285 1.00 0.00 C ATOM 336 C ASN A 21 4.280 2.698 7.825 1.00 0.00 C ATOM 337 O ASN A 21 3.884 3.799 8.119 1.00 0.00 O ATOM 338 CB ASN A 21 2.970 0.663 8.385 1.00 0.00 C ATOM 339 CG ASN A 21 1.542 0.175 8.136 1.00 0.00 C ATOM 340 OD1 ASN A 21 0.603 0.940 8.219 1.00 0.00 O ATOM 341 ND2 ASN A 21 1.338 -1.077 7.834 1.00 0.00 N ATOM 0 H ASN A 21 4.725 0.098 6.727 1.00 0.00 H new ATOM 0 HA ASN A 21 2.484 2.086 6.851 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.656 -0.184 8.407 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.034 1.151 9.358 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.390 -1.413 7.668 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.127 -1.720 7.764 1.00 0.00 H new ATOM 348 N ASP A 22 5.520 2.362 7.927 1.00 0.00 N ATOM 349 CA ASP A 22 6.490 3.343 8.420 1.00 0.00 C ATOM 350 C ASP A 22 6.612 4.425 7.368 1.00 0.00 C ATOM 351 O ASP A 22 6.810 5.591 7.648 1.00 0.00 O ATOM 352 CB ASP A 22 7.803 2.586 8.616 1.00 0.00 C ATOM 353 CG ASP A 22 8.329 2.835 10.031 1.00 0.00 C ATOM 354 OD1 ASP A 22 7.601 3.417 10.817 1.00 0.00 O ATOM 355 OD2 ASP A 22 9.451 2.439 10.303 1.00 0.00 O ATOM 0 H ASP A 22 5.902 1.447 7.689 1.00 0.00 H new ATOM 0 HA ASP A 22 6.201 3.812 9.361 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.647 1.519 8.457 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.538 2.914 7.880 1.00 0.00 H new ATOM 360 N THR A 23 6.442 4.020 6.156 1.00 0.00 N ATOM 361 CA THR A 23 6.479 4.965 5.017 1.00 0.00 C ATOM 362 C THR A 23 5.167 5.735 4.990 1.00 0.00 C ATOM 363 O THR A 23 5.126 6.930 4.779 1.00 0.00 O ATOM 364 CB THR A 23 6.552 4.057 3.808 1.00 0.00 C ATOM 365 OG1 THR A 23 7.781 3.341 3.822 1.00 0.00 O ATOM 366 CG2 THR A 23 6.444 4.883 2.525 1.00 0.00 C ATOM 0 H THR A 23 6.274 3.048 5.896 1.00 0.00 H new ATOM 0 HA THR A 23 7.300 5.681 5.063 1.00 0.00 H new ATOM 0 HB THR A 23 5.724 3.349 3.842 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.807 2.752 4.605 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.498 4.221 1.661 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.494 5.417 2.515 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.264 5.600 2.484 1.00 0.00 H new ATOM 374 N LEU A 24 4.086 5.036 5.218 1.00 0.00 N ATOM 375 CA LEU A 24 2.759 5.693 5.226 1.00 0.00 C ATOM 376 C LEU A 24 2.607 6.467 6.526 1.00 0.00 C ATOM 377 O LEU A 24 1.883 7.439 6.607 1.00 0.00 O ATOM 378 CB LEU A 24 1.747 4.550 5.155 1.00 0.00 C ATOM 379 CG LEU A 24 1.635 4.054 3.713 1.00 0.00 C ATOM 380 CD1 LEU A 24 0.906 2.710 3.690 1.00 0.00 C ATOM 381 CD2 LEU A 24 0.851 5.073 2.885 1.00 0.00 C ATOM 0 H LEU A 24 4.072 4.032 5.399 1.00 0.00 H new ATOM 0 HA LEU A 24 2.622 6.393 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.058 3.734 5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.774 4.889 5.510 1.00 0.00 H new ATOM 0 HG LEU A 24 2.633 3.932 3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.826 2.357 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.464 1.983 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.092 2.830 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.770 4.721 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.147 5.194 3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.370 6.031 2.901 1.00 0.00 H new ATOM 393 N LEU A 25 3.297 6.043 7.549 1.00 0.00 N ATOM 394 CA LEU A 25 3.196 6.768 8.850 1.00 0.00 C ATOM 395 C LEU A 25 4.078 7.995 8.824 1.00 0.00 C ATOM 396 O LEU A 25 3.889 8.936 9.567 1.00 0.00 O ATOM 397 CB LEU A 25 3.658 5.777 9.904 1.00 0.00 C ATOM 398 CG LEU A 25 2.568 4.737 10.069 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.147 3.482 10.722 1.00 0.00 C ATOM 400 CD2 LEU A 25 1.450 5.317 10.936 1.00 0.00 C ATOM 0 H LEU A 25 3.920 5.235 7.543 1.00 0.00 H new ATOM 0 HA LEU A 25 2.183 7.114 9.056 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.593 5.306 9.602 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.848 6.285 10.849 1.00 0.00 H new ATOM 0 HG LEU A 25 2.164 4.468 9.093 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.360 2.737 10.839 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.940 3.077 10.093 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.554 3.736 11.701 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.662 4.574 11.059 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.850 5.587 11.913 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.040 6.205 10.455 1.00 0.00 H new ATOM 412 N GLU A 26 4.996 8.015 7.927 1.00 0.00 N ATOM 413 CA GLU A 26 5.846 9.209 7.780 1.00 0.00 C ATOM 414 C GLU A 26 5.191 10.039 6.708 1.00 0.00 C ATOM 415 O GLU A 26 5.259 11.252 6.681 1.00 0.00 O ATOM 416 CB GLU A 26 7.226 8.701 7.363 1.00 0.00 C ATOM 417 CG GLU A 26 7.950 8.129 8.584 1.00 0.00 C ATOM 418 CD GLU A 26 8.069 9.209 9.661 1.00 0.00 C ATOM 419 OE1 GLU A 26 7.122 9.377 10.413 1.00 0.00 O ATOM 420 OE2 GLU A 26 9.105 9.851 9.716 1.00 0.00 O ATOM 0 H GLU A 26 5.200 7.252 7.282 1.00 0.00 H new ATOM 0 HA GLU A 26 5.957 9.812 8.681 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.126 7.935 6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.809 9.514 6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.404 7.270 8.974 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.940 7.774 8.299 1.00 0.00 H new ATOM 427 N LEU A 27 4.525 9.352 5.835 1.00 0.00 N ATOM 428 CA LEU A 27 3.807 10.010 4.747 1.00 0.00 C ATOM 429 C LEU A 27 2.641 10.806 5.319 1.00 0.00 C ATOM 430 O LEU A 27 2.283 11.856 4.821 1.00 0.00 O ATOM 431 CB LEU A 27 3.301 8.865 3.871 1.00 0.00 C ATOM 432 CG LEU A 27 2.430 9.419 2.751 1.00 0.00 C ATOM 433 CD1 LEU A 27 3.170 10.550 2.038 1.00 0.00 C ATOM 434 CD2 LEU A 27 2.118 8.303 1.752 1.00 0.00 C ATOM 0 H LEU A 27 4.453 8.335 5.839 1.00 0.00 H new ATOM 0 HA LEU A 27 4.429 10.706 4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.144 8.316 3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.729 8.159 4.473 1.00 0.00 H new ATOM 0 HG LEU A 27 1.500 9.804 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.545 10.945 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.393 11.345 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.100 10.168 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.495 8.697 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.048 7.919 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.589 7.497 2.260 1.00 0.00 H new ATOM 446 N GLU A 28 2.053 10.320 6.375 1.00 0.00 N ATOM 447 CA GLU A 28 0.922 11.053 6.991 1.00 0.00 C ATOM 448 C GLU A 28 1.450 12.332 7.620 1.00 0.00 C ATOM 449 O GLU A 28 0.854 13.387 7.519 1.00 0.00 O ATOM 450 CB GLU A 28 0.378 10.098 8.044 1.00 0.00 C ATOM 451 CG GLU A 28 1.142 10.263 9.358 1.00 0.00 C ATOM 452 CD GLU A 28 0.556 9.327 10.417 1.00 0.00 C ATOM 453 OE1 GLU A 28 -0.606 8.977 10.293 1.00 0.00 O ATOM 454 OE2 GLU A 28 1.279 8.977 11.336 1.00 0.00 O ATOM 0 H GLU A 28 2.309 9.447 6.836 1.00 0.00 H new ATOM 0 HA GLU A 28 0.147 11.342 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.683 10.291 8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.465 9.070 7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.198 10.040 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.080 11.297 9.698 1.00 0.00 H new ATOM 461 N LYS A 29 2.592 12.248 8.241 1.00 0.00 N ATOM 462 CA LYS A 29 3.180 13.465 8.841 1.00 0.00 C ATOM 463 C LYS A 29 3.752 14.303 7.710 1.00 0.00 C ATOM 464 O LYS A 29 4.029 15.478 7.845 1.00 0.00 O ATOM 465 CB LYS A 29 4.250 12.940 9.805 1.00 0.00 C ATOM 466 CG LYS A 29 5.662 13.361 9.381 1.00 0.00 C ATOM 467 CD LYS A 29 6.622 12.271 9.800 1.00 0.00 C ATOM 468 CE LYS A 29 6.658 12.173 11.323 1.00 0.00 C ATOM 469 NZ LYS A 29 7.644 13.203 11.755 1.00 0.00 N ATOM 0 H LYS A 29 3.137 11.393 8.356 1.00 0.00 H new ATOM 0 HA LYS A 29 2.479 14.101 9.381 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.047 13.312 10.809 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.194 11.852 9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.706 13.513 8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.933 14.308 9.848 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.313 11.317 9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.620 12.485 9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.675 12.363 11.754 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.961 11.177 11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.329 13.632 12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.573 12.757 11.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.719 13.939 11.025 1.00 0.00 H new ATOM 483 N ASN A 30 3.910 13.677 6.584 1.00 0.00 N ATOM 484 CA ASN A 30 4.448 14.391 5.395 1.00 0.00 C ATOM 485 C ASN A 30 3.851 13.779 4.149 1.00 0.00 C ATOM 486 O ASN A 30 4.478 13.015 3.442 1.00 0.00 O ATOM 487 CB ASN A 30 5.967 14.219 5.441 1.00 0.00 C ATOM 488 CG ASN A 30 6.609 15.484 6.014 1.00 0.00 C ATOM 489 OD1 ASN A 30 6.134 16.031 6.991 1.00 0.00 O ATOM 490 ND2 ASN A 30 7.677 15.974 5.446 1.00 0.00 N ATOM 0 H ASN A 30 3.688 12.693 6.432 1.00 0.00 H new ATOM 0 HA ASN A 30 4.197 15.452 5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.227 13.357 6.055 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.352 14.025 4.440 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.114 16.816 5.821 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.075 15.515 4.627 1.00 0.00 H new ATOM 497 N PRO A 31 2.626 14.139 3.956 1.00 0.00 N ATOM 498 CA PRO A 31 1.848 13.640 2.822 1.00 0.00 C ATOM 499 C PRO A 31 2.068 14.512 1.585 1.00 0.00 C ATOM 500 O PRO A 31 1.246 14.557 0.690 1.00 0.00 O ATOM 501 CB PRO A 31 0.426 13.760 3.333 1.00 0.00 C ATOM 502 CG PRO A 31 0.434 14.853 4.356 1.00 0.00 C ATOM 503 CD PRO A 31 1.850 15.054 4.800 1.00 0.00 C ATOM 0 HA PRO A 31 2.116 12.630 2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.260 13.995 2.519 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.091 12.820 3.772 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.032 15.774 3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.198 14.588 5.203 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.167 16.088 4.663 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.973 14.821 5.858 1.00 0.00 H new ATOM 511 N GLU A 32 3.167 15.206 1.528 1.00 0.00 N ATOM 512 CA GLU A 32 3.439 16.077 0.350 1.00 0.00 C ATOM 513 C GLU A 32 4.942 16.115 0.074 1.00 0.00 C ATOM 514 O GLU A 32 5.421 16.919 -0.702 1.00 0.00 O ATOM 515 CB GLU A 32 2.922 17.477 0.725 1.00 0.00 C ATOM 516 CG GLU A 32 2.811 17.626 2.248 1.00 0.00 C ATOM 517 CD GLU A 32 2.819 19.110 2.622 1.00 0.00 C ATOM 518 OE1 GLU A 32 2.279 19.896 1.860 1.00 0.00 O ATOM 519 OE2 GLU A 32 3.365 19.436 3.664 1.00 0.00 O ATOM 0 H GLU A 32 3.891 15.209 2.246 1.00 0.00 H new ATOM 0 HA GLU A 32 2.949 15.708 -0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.596 18.237 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.947 17.645 0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.894 17.156 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.641 17.114 2.735 1.00 0.00 H new ATOM 526 N ASP A 33 5.690 15.249 0.701 1.00 0.00 N ATOM 527 CA ASP A 33 7.160 15.235 0.469 1.00 0.00 C ATOM 528 C ASP A 33 7.476 14.546 -0.854 1.00 0.00 C ATOM 529 O ASP A 33 8.571 14.632 -1.373 1.00 0.00 O ATOM 530 CB ASP A 33 7.744 14.449 1.643 1.00 0.00 C ATOM 531 CG ASP A 33 9.193 14.880 1.873 1.00 0.00 C ATOM 532 OD1 ASP A 33 9.786 15.413 0.949 1.00 0.00 O ATOM 533 OD2 ASP A 33 9.686 14.670 2.969 1.00 0.00 O ATOM 0 H ASP A 33 5.347 14.552 1.362 1.00 0.00 H new ATOM 0 HA ASP A 33 7.579 16.240 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.154 14.625 2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.700 13.380 1.437 1.00 0.00 H new ATOM 538 N MET A 34 6.516 13.852 -1.387 1.00 0.00 N ATOM 539 CA MET A 34 6.714 13.126 -2.672 1.00 0.00 C ATOM 540 C MET A 34 7.812 12.080 -2.516 1.00 0.00 C ATOM 541 O MET A 34 8.237 11.461 -3.471 1.00 0.00 O ATOM 542 CB MET A 34 7.107 14.193 -3.697 1.00 0.00 C ATOM 543 CG MET A 34 5.846 14.797 -4.315 1.00 0.00 C ATOM 544 SD MET A 34 5.500 13.986 -5.895 1.00 0.00 S ATOM 545 CE MET A 34 4.058 14.980 -6.350 1.00 0.00 C ATOM 0 H MET A 34 5.585 13.754 -0.981 1.00 0.00 H new ATOM 0 HA MET A 34 5.815 12.595 -2.987 1.00 0.00 H new ATOM 0 HB2 MET A 34 7.699 14.973 -3.217 1.00 0.00 H new ATOM 0 HB3 MET A 34 7.731 13.753 -4.475 1.00 0.00 H new ATOM 0 HG2 MET A 34 5.001 14.673 -3.638 1.00 0.00 H new ATOM 0 HG3 MET A 34 5.979 15.868 -4.466 1.00 0.00 H new ATOM 0 HE1 MET A 34 3.814 14.809 -7.398 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.209 14.695 -5.729 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.281 16.036 -6.197 1.00 0.00 H new ATOM 555 N GLU A 35 8.245 11.847 -1.312 1.00 0.00 N ATOM 556 CA GLU A 35 9.277 10.811 -1.087 1.00 0.00 C ATOM 557 C GLU A 35 8.604 9.656 -0.373 1.00 0.00 C ATOM 558 O GLU A 35 8.818 8.500 -0.677 1.00 0.00 O ATOM 559 CB GLU A 35 10.352 11.474 -0.220 1.00 0.00 C ATOM 560 CG GLU A 35 9.901 11.516 1.241 1.00 0.00 C ATOM 561 CD GLU A 35 10.931 12.285 2.070 1.00 0.00 C ATOM 562 OE1 GLU A 35 11.777 12.932 1.475 1.00 0.00 O ATOM 563 OE2 GLU A 35 10.856 12.215 3.285 1.00 0.00 O ATOM 0 H GLU A 35 7.926 12.332 -0.474 1.00 0.00 H new ATOM 0 HA GLU A 35 9.731 10.428 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.288 10.922 -0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.545 12.485 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.925 11.995 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.790 10.503 1.628 1.00 0.00 H new ATOM 570 N LEU A 36 7.740 9.978 0.542 1.00 0.00 N ATOM 571 CA LEU A 36 6.985 8.915 1.244 1.00 0.00 C ATOM 572 C LEU A 36 5.871 8.454 0.312 1.00 0.00 C ATOM 573 O LEU A 36 5.340 7.369 0.440 1.00 0.00 O ATOM 574 CB LEU A 36 6.417 9.570 2.503 1.00 0.00 C ATOM 575 CG LEU A 36 7.567 10.028 3.392 1.00 0.00 C ATOM 576 CD1 LEU A 36 7.109 11.189 4.276 1.00 0.00 C ATOM 577 CD2 LEU A 36 8.026 8.863 4.268 1.00 0.00 C ATOM 0 H LEU A 36 7.525 10.932 0.833 1.00 0.00 H new ATOM 0 HA LEU A 36 7.592 8.051 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.789 10.419 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.785 8.864 3.041 1.00 0.00 H new ATOM 0 HG LEU A 36 8.396 10.362 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.935 11.512 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.787 12.020 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.278 10.864 4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.849 9.189 4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.197 8.527 4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.361 8.041 3.635 1.00 0.00 H new ATOM 589 N ILE A 37 5.534 9.275 -0.654 1.00 0.00 N ATOM 590 CA ILE A 37 4.479 8.887 -1.623 1.00 0.00 C ATOM 591 C ILE A 37 5.087 7.950 -2.666 1.00 0.00 C ATOM 592 O ILE A 37 4.405 7.133 -3.255 1.00 0.00 O ATOM 593 CB ILE A 37 4.026 10.194 -2.273 1.00 0.00 C ATOM 594 CG1 ILE A 37 3.284 11.047 -1.243 1.00 0.00 C ATOM 595 CG2 ILE A 37 3.092 9.883 -3.444 1.00 0.00 C ATOM 596 CD1 ILE A 37 2.781 12.331 -1.907 1.00 0.00 C ATOM 0 H ILE A 37 5.948 10.195 -0.807 1.00 0.00 H new ATOM 0 HA ILE A 37 3.642 8.369 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 37 4.897 10.740 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.446 10.487 -0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.946 11.290 -0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.768 10.814 -3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.620 9.275 -4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.221 9.337 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.252 12.938 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.628 12.893 -2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.104 12.078 -2.723 1.00 0.00 H new ATOM 608 N ASN A 38 6.372 8.057 -2.896 1.00 0.00 N ATOM 609 CA ASN A 38 7.015 7.160 -3.896 1.00 0.00 C ATOM 610 C ASN A 38 7.507 5.891 -3.212 1.00 0.00 C ATOM 611 O ASN A 38 7.699 4.866 -3.836 1.00 0.00 O ATOM 612 CB ASN A 38 8.184 7.962 -4.472 1.00 0.00 C ATOM 613 CG ASN A 38 8.591 7.371 -5.823 1.00 0.00 C ATOM 614 OD1 ASN A 38 9.635 6.760 -5.943 1.00 0.00 O ATOM 615 ND2 ASN A 38 7.805 7.527 -6.853 1.00 0.00 N ATOM 0 H ASN A 38 6.996 8.721 -2.438 1.00 0.00 H new ATOM 0 HA ASN A 38 6.324 6.851 -4.680 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.898 9.007 -4.591 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.029 7.939 -3.784 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.067 7.136 -7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.929 8.040 -6.753 1.00 0.00 H new ATOM 622 N GLU A 39 7.685 5.948 -1.930 1.00 0.00 N ATOM 623 CA GLU A 39 8.138 4.739 -1.189 1.00 0.00 C ATOM 624 C GLU A 39 6.937 3.836 -0.958 1.00 0.00 C ATOM 625 O GLU A 39 7.046 2.630 -0.843 1.00 0.00 O ATOM 626 CB GLU A 39 8.700 5.259 0.136 1.00 0.00 C ATOM 627 CG GLU A 39 10.142 5.720 -0.069 1.00 0.00 C ATOM 628 CD GLU A 39 10.614 6.498 1.162 1.00 0.00 C ATOM 629 OE1 GLU A 39 10.676 5.906 2.226 1.00 0.00 O ATOM 630 OE2 GLU A 39 10.903 7.675 1.018 1.00 0.00 O ATOM 0 H GLU A 39 7.537 6.779 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 39 8.890 4.162 -1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.091 6.086 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.661 4.475 0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.789 4.859 -0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.210 6.349 -0.957 1.00 0.00 H new ATOM 637 N ALA A 40 5.791 4.431 -0.917 1.00 0.00 N ATOM 638 CA ALA A 40 4.538 3.655 -0.720 1.00 0.00 C ATOM 639 C ALA A 40 3.971 3.247 -2.084 1.00 0.00 C ATOM 640 O ALA A 40 3.558 2.121 -2.281 1.00 0.00 O ATOM 641 CB ALA A 40 3.589 4.611 0.003 1.00 0.00 C ATOM 0 H ALA A 40 5.661 5.438 -1.013 1.00 0.00 H new ATOM 0 HA ALA A 40 4.692 2.739 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.638 4.111 0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.029 4.911 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.422 5.494 -0.614 1.00 0.00 H new ATOM 647 N PHE A 41 3.957 4.149 -3.033 1.00 0.00 N ATOM 648 CA PHE A 41 3.428 3.798 -4.382 1.00 0.00 C ATOM 649 C PHE A 41 4.129 2.537 -4.900 1.00 0.00 C ATOM 650 O PHE A 41 3.505 1.649 -5.447 1.00 0.00 O ATOM 651 CB PHE A 41 3.759 5.004 -5.261 1.00 0.00 C ATOM 652 CG PHE A 41 3.636 4.619 -6.716 1.00 0.00 C ATOM 653 CD1 PHE A 41 4.711 4.008 -7.372 1.00 0.00 C ATOM 654 CD2 PHE A 41 2.447 4.874 -7.409 1.00 0.00 C ATOM 655 CE1 PHE A 41 4.598 3.653 -8.721 1.00 0.00 C ATOM 656 CE2 PHE A 41 2.333 4.519 -8.757 1.00 0.00 C ATOM 657 CZ PHE A 41 3.409 3.908 -9.414 1.00 0.00 C ATOM 0 H PHE A 41 4.288 5.108 -2.931 1.00 0.00 H new ATOM 0 HA PHE A 41 2.358 3.588 -4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.083 5.829 -5.034 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.770 5.353 -5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.628 3.810 -6.837 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.617 5.345 -6.903 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.428 3.182 -9.227 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.415 4.716 -9.291 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.321 3.634 -10.455 1.00 0.00 H new ATOM 667 N ARG A 42 5.422 2.451 -4.729 1.00 0.00 N ATOM 668 CA ARG A 42 6.158 1.244 -5.206 1.00 0.00 C ATOM 669 C ARG A 42 5.851 0.048 -4.298 1.00 0.00 C ATOM 670 O ARG A 42 5.353 -0.966 -4.740 1.00 0.00 O ATOM 671 CB ARG A 42 7.638 1.617 -5.115 1.00 0.00 C ATOM 672 CG ARG A 42 7.896 2.903 -5.903 1.00 0.00 C ATOM 673 CD ARG A 42 9.270 3.465 -5.527 1.00 0.00 C ATOM 674 NE ARG A 42 10.162 3.098 -6.663 1.00 0.00 N ATOM 675 CZ ARG A 42 11.155 3.879 -6.990 1.00 0.00 C ATOM 676 NH1 ARG A 42 12.101 4.132 -6.125 1.00 0.00 N ATOM 677 NH2 ARG A 42 11.205 4.408 -8.182 1.00 0.00 N ATOM 0 H ARG A 42 5.999 3.163 -4.281 1.00 0.00 H new ATOM 0 HA ARG A 42 5.872 0.960 -6.219 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.925 1.754 -4.072 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.252 0.808 -5.510 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.854 2.701 -6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.119 3.637 -5.687 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.230 4.546 -5.390 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.628 3.038 -4.590 1.00 0.00 H new ATOM 0 HE ARG A 42 9.997 2.237 -7.184 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.064 3.719 -5.193 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.877 4.743 -6.382 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.468 4.211 -8.859 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.981 5.018 -8.437 1.00 0.00 H new ATOM 691 N ALA A 43 6.145 0.164 -3.029 1.00 0.00 N ATOM 692 CA ALA A 43 5.869 -0.965 -2.091 1.00 0.00 C ATOM 693 C ALA A 43 4.509 -1.588 -2.397 1.00 0.00 C ATOM 694 O ALA A 43 4.398 -2.781 -2.587 1.00 0.00 O ATOM 695 CB ALA A 43 5.871 -0.332 -0.699 1.00 0.00 C ATOM 0 H ALA A 43 6.564 0.990 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 43 6.607 -1.763 -2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.675 -1.099 0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.843 0.122 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.097 0.433 -0.646 1.00 0.00 H new ATOM 701 N LEU A 44 3.476 -0.795 -2.454 1.00 0.00 N ATOM 702 CA LEU A 44 2.133 -1.361 -2.755 1.00 0.00 C ATOM 703 C LEU A 44 2.136 -1.964 -4.158 1.00 0.00 C ATOM 704 O LEU A 44 1.511 -2.975 -4.412 1.00 0.00 O ATOM 705 CB LEU A 44 1.171 -0.179 -2.663 1.00 0.00 C ATOM 706 CG LEU A 44 0.839 0.093 -1.197 1.00 0.00 C ATOM 707 CD1 LEU A 44 0.321 1.524 -1.048 1.00 0.00 C ATOM 708 CD2 LEU A 44 -0.235 -0.890 -0.729 1.00 0.00 C ATOM 0 H LEU A 44 3.503 0.214 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 44 1.846 -2.157 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.620 0.705 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.259 -0.394 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 44 1.736 -0.032 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.084 1.718 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.086 2.225 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.577 1.651 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.473 -0.698 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.132 -0.764 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.134 -1.910 -0.835 1.00 0.00 H new ATOM 720 N HIS A 45 2.860 -1.368 -5.063 1.00 0.00 N ATOM 721 CA HIS A 45 2.932 -1.929 -6.439 1.00 0.00 C ATOM 722 C HIS A 45 3.763 -3.206 -6.384 1.00 0.00 C ATOM 723 O HIS A 45 3.502 -4.169 -7.076 1.00 0.00 O ATOM 724 CB HIS A 45 3.629 -0.852 -7.273 1.00 0.00 C ATOM 725 CG HIS A 45 4.206 -1.469 -8.520 1.00 0.00 C ATOM 726 ND1 HIS A 45 5.195 -2.404 -8.708 1.00 0.00 N flip ATOM 727 CD2 HIS A 45 3.755 -1.136 -9.788 1.00 0.00 C flip ATOM 728 CE1 HIS A 45 5.356 -2.649 -10.068 1.00 0.00 C flip ATOM 729 NE2 HIS A 45 4.465 -1.859 -10.674 1.00 0.00 N flip ATOM 0 H HIS A 45 3.404 -0.519 -4.909 1.00 0.00 H new ATOM 0 HA HIS A 45 1.959 -2.178 -6.864 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.920 -0.068 -7.538 1.00 0.00 H new ATOM 0 HB3 HIS A 45 4.420 -0.382 -6.689 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.976 -0.426 -10.022 1.00 0.00 H new ATOM 0 HE1 HIS A 45 6.052 -3.331 -10.534 1.00 0.00 H new ATOM 0 HE2 HIS A 45 4.338 -1.810 -11.685 1.00 0.00 H new ATOM 737 N THR A 46 4.746 -3.221 -5.528 1.00 0.00 N ATOM 738 CA THR A 46 5.587 -4.433 -5.374 1.00 0.00 C ATOM 739 C THR A 46 4.797 -5.447 -4.543 1.00 0.00 C ATOM 740 O THR A 46 4.865 -6.640 -4.761 1.00 0.00 O ATOM 741 CB THR A 46 6.848 -3.939 -4.645 1.00 0.00 C ATOM 742 OG1 THR A 46 7.875 -3.704 -5.597 1.00 0.00 O ATOM 743 CG2 THR A 46 7.331 -4.978 -3.628 1.00 0.00 C ATOM 0 H THR A 46 5.002 -2.439 -4.926 1.00 0.00 H new ATOM 0 HA THR A 46 5.857 -4.921 -6.310 1.00 0.00 H new ATOM 0 HB THR A 46 6.607 -3.018 -4.114 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.681 -3.387 -5.138 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.224 -4.607 -3.125 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.548 -5.158 -2.892 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.566 -5.910 -4.143 1.00 0.00 H new ATOM 751 N LEU A 47 4.028 -4.962 -3.606 1.00 0.00 N ATOM 752 CA LEU A 47 3.202 -5.871 -2.769 1.00 0.00 C ATOM 753 C LEU A 47 2.015 -6.370 -3.596 1.00 0.00 C ATOM 754 O LEU A 47 1.564 -7.489 -3.445 1.00 0.00 O ATOM 755 CB LEU A 47 2.727 -5.001 -1.601 1.00 0.00 C ATOM 756 CG LEU A 47 3.533 -5.342 -0.348 1.00 0.00 C ATOM 757 CD1 LEU A 47 3.098 -4.430 0.800 1.00 0.00 C ATOM 758 CD2 LEU A 47 3.285 -6.801 0.040 1.00 0.00 C ATOM 0 H LEU A 47 3.938 -3.970 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 47 3.747 -6.748 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.847 -3.946 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.665 -5.167 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 47 4.594 -5.196 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.672 -4.672 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.275 -3.390 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.037 -4.577 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.860 -7.043 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.224 -6.949 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.594 -7.452 -0.778 1.00 0.00 H new ATOM 770 N LYS A 48 1.519 -5.548 -4.484 1.00 0.00 N ATOM 771 CA LYS A 48 0.378 -5.966 -5.342 1.00 0.00 C ATOM 772 C LYS A 48 0.819 -7.117 -6.249 1.00 0.00 C ATOM 773 O LYS A 48 0.071 -8.039 -6.511 1.00 0.00 O ATOM 774 CB LYS A 48 0.054 -4.721 -6.167 1.00 0.00 C ATOM 775 CG LYS A 48 -0.757 -5.108 -7.401 1.00 0.00 C ATOM 776 CD LYS A 48 -0.870 -3.892 -8.316 1.00 0.00 C ATOM 777 CE LYS A 48 0.295 -3.887 -9.303 1.00 0.00 C ATOM 778 NZ LYS A 48 -0.266 -4.442 -10.566 1.00 0.00 N ATOM 0 H LYS A 48 1.859 -4.601 -4.650 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.484 -6.317 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.507 -4.009 -5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.976 -4.225 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.275 -5.932 -7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.748 -5.453 -7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.817 -3.916 -8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.863 -2.977 -7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.681 -2.879 -9.452 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.123 -4.495 -8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.477 -4.470 -11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.620 -5.405 -10.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.048 -3.839 -10.893 1.00 0.00 H new ATOM 792 N GLY A 49 2.031 -7.065 -6.729 1.00 0.00 N ATOM 793 CA GLY A 49 2.532 -8.151 -7.620 1.00 0.00 C ATOM 794 C GLY A 49 2.700 -9.439 -6.811 1.00 0.00 C ATOM 795 O GLY A 49 2.211 -10.487 -7.186 1.00 0.00 O ATOM 0 H GLY A 49 2.698 -6.316 -6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.834 -8.313 -8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.484 -7.861 -8.064 1.00 0.00 H new ATOM 799 N MET A 50 3.386 -9.371 -5.702 1.00 0.00 N ATOM 800 CA MET A 50 3.581 -10.594 -4.870 1.00 0.00 C ATOM 801 C MET A 50 2.225 -11.151 -4.432 1.00 0.00 C ATOM 802 O MET A 50 2.099 -12.311 -4.092 1.00 0.00 O ATOM 803 CB MET A 50 4.388 -10.126 -3.658 1.00 0.00 C ATOM 804 CG MET A 50 5.818 -9.796 -4.092 1.00 0.00 C ATOM 805 SD MET A 50 6.394 -8.315 -3.223 1.00 0.00 S ATOM 806 CE MET A 50 5.648 -8.679 -1.615 1.00 0.00 C ATOM 0 H MET A 50 3.819 -8.523 -5.336 1.00 0.00 H new ATOM 0 HA MET A 50 4.092 -11.389 -5.414 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.920 -9.248 -3.213 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.399 -10.903 -2.893 1.00 0.00 H new ATOM 0 HG2 MET A 50 6.477 -10.636 -3.875 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.853 -9.634 -5.169 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.039 -7.989 -0.868 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.566 -8.566 -1.682 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.889 -9.702 -1.325 1.00 0.00 H new ATOM 816 N ALA A 51 1.207 -10.333 -4.441 1.00 0.00 N ATOM 817 CA ALA A 51 -0.142 -10.815 -4.031 1.00 0.00 C ATOM 818 C ALA A 51 -0.891 -11.348 -5.250 1.00 0.00 C ATOM 819 O ALA A 51 -1.882 -12.042 -5.132 1.00 0.00 O ATOM 820 CB ALA A 51 -0.846 -9.587 -3.455 1.00 0.00 C ATOM 0 H ALA A 51 1.252 -9.351 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.094 -11.626 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.849 -9.862 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.280 -9.209 -2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.912 -8.813 -4.220 1.00 0.00 H new ATOM 826 N GLY A 52 -0.413 -11.042 -6.424 1.00 0.00 N ATOM 827 CA GLY A 52 -1.080 -11.543 -7.654 1.00 0.00 C ATOM 828 C GLY A 52 -0.507 -12.917 -7.974 1.00 0.00 C ATOM 829 O GLY A 52 -1.218 -13.840 -8.321 1.00 0.00 O ATOM 0 H GLY A 52 0.413 -10.465 -6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.158 -11.605 -7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.912 -10.857 -8.485 1.00 0.00 H new ATOM 833 N THR A 53 0.781 -13.062 -7.835 1.00 0.00 N ATOM 834 CA THR A 53 1.421 -14.376 -8.103 1.00 0.00 C ATOM 835 C THR A 53 1.022 -15.369 -7.010 1.00 0.00 C ATOM 836 O THR A 53 1.239 -16.559 -7.120 1.00 0.00 O ATOM 837 CB THR A 53 2.924 -14.080 -8.069 1.00 0.00 C ATOM 838 OG1 THR A 53 3.348 -13.646 -9.354 1.00 0.00 O ATOM 839 CG2 THR A 53 3.704 -15.334 -7.672 1.00 0.00 C ATOM 0 H THR A 53 1.420 -12.321 -7.546 1.00 0.00 H new ATOM 0 HA THR A 53 1.121 -14.819 -9.053 1.00 0.00 H new ATOM 0 HB THR A 53 3.114 -13.299 -7.333 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.309 -13.454 -9.334 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.770 -15.108 -7.652 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.384 -15.664 -6.683 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.514 -16.125 -8.397 1.00 0.00 H new ATOM 847 N MET A 54 0.434 -14.876 -5.963 1.00 0.00 N ATOM 848 CA MET A 54 0.002 -15.770 -4.850 1.00 0.00 C ATOM 849 C MET A 54 -1.462 -16.168 -5.036 1.00 0.00 C ATOM 850 O MET A 54 -2.042 -16.850 -4.215 1.00 0.00 O ATOM 851 CB MET A 54 0.177 -14.938 -3.579 1.00 0.00 C ATOM 852 CG MET A 54 0.662 -15.838 -2.442 1.00 0.00 C ATOM 853 SD MET A 54 2.298 -16.496 -2.849 1.00 0.00 S ATOM 854 CE MET A 54 3.163 -14.910 -2.946 1.00 0.00 C ATOM 0 H MET A 54 0.231 -13.886 -5.825 1.00 0.00 H new ATOM 0 HA MET A 54 0.581 -16.693 -4.812 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.894 -14.136 -3.753 1.00 0.00 H new ATOM 0 HB3 MET A 54 -0.768 -14.468 -3.307 1.00 0.00 H new ATOM 0 HG2 MET A 54 0.707 -15.273 -1.511 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.042 -16.655 -2.285 1.00 0.00 H new ATOM 0 HE1 MET A 54 4.231 -15.069 -2.800 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.993 -14.462 -3.925 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.786 -14.242 -2.171 1.00 0.00 H new ATOM 864 N GLY A 55 -2.060 -15.745 -6.113 1.00 0.00 N ATOM 865 CA GLY A 55 -3.486 -16.093 -6.361 1.00 0.00 C ATOM 866 C GLY A 55 -4.387 -15.228 -5.479 1.00 0.00 C ATOM 867 O GLY A 55 -5.591 -15.384 -5.463 1.00 0.00 O ATOM 0 H GLY A 55 -1.622 -15.172 -6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.731 -15.937 -7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.656 -17.148 -6.147 1.00 0.00 H new ATOM 871 N PHE A 56 -3.812 -14.316 -4.741 1.00 0.00 N ATOM 872 CA PHE A 56 -4.642 -13.444 -3.859 1.00 0.00 C ATOM 873 C PHE A 56 -4.822 -12.062 -4.494 1.00 0.00 C ATOM 874 O PHE A 56 -4.422 -11.059 -3.937 1.00 0.00 O ATOM 875 CB PHE A 56 -3.854 -13.330 -2.553 1.00 0.00 C ATOM 876 CG PHE A 56 -3.493 -14.707 -2.052 1.00 0.00 C ATOM 877 CD1 PHE A 56 -4.292 -15.808 -2.384 1.00 0.00 C ATOM 878 CD2 PHE A 56 -2.357 -14.884 -1.252 1.00 0.00 C ATOM 879 CE1 PHE A 56 -3.956 -17.084 -1.916 1.00 0.00 C ATOM 880 CE2 PHE A 56 -2.021 -16.159 -0.784 1.00 0.00 C ATOM 881 CZ PHE A 56 -2.820 -17.259 -1.116 1.00 0.00 C ATOM 0 H PHE A 56 -2.808 -14.137 -4.710 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.639 -13.854 -3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.950 -12.743 -2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.447 -12.805 -1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.168 -15.673 -3.001 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.740 -14.035 -0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.573 -17.933 -2.172 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.145 -16.294 -0.167 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.560 -18.243 -0.755 1.00 0.00 H new ATOM 891 N SER A 57 -5.418 -11.997 -5.652 1.00 0.00 N ATOM 892 CA SER A 57 -5.615 -10.673 -6.307 1.00 0.00 C ATOM 893 C SER A 57 -6.615 -9.840 -5.515 1.00 0.00 C ATOM 894 O SER A 57 -6.599 -8.625 -5.546 1.00 0.00 O ATOM 895 CB SER A 57 -6.161 -10.986 -7.696 1.00 0.00 C ATOM 896 OG SER A 57 -5.083 -11.316 -8.562 1.00 0.00 O ATOM 0 H SER A 57 -5.776 -12.799 -6.171 1.00 0.00 H new ATOM 0 HA SER A 57 -4.690 -10.099 -6.358 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.867 -11.815 -7.643 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.706 -10.127 -8.087 1.00 0.00 H new ATOM 0 HG SER A 57 -5.431 -11.519 -9.455 1.00 0.00 H new ATOM 902 N SER A 58 -7.467 -10.490 -4.791 1.00 0.00 N ATOM 903 CA SER A 58 -8.464 -9.755 -3.968 1.00 0.00 C ATOM 904 C SER A 58 -7.706 -8.896 -2.967 1.00 0.00 C ATOM 905 O SER A 58 -8.142 -7.833 -2.574 1.00 0.00 O ATOM 906 CB SER A 58 -9.273 -10.835 -3.254 1.00 0.00 C ATOM 907 OG SER A 58 -10.259 -11.346 -4.141 1.00 0.00 O ATOM 0 H SER A 58 -7.521 -11.507 -4.730 1.00 0.00 H new ATOM 0 HA SER A 58 -9.116 -9.105 -4.552 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.615 -11.638 -2.921 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.747 -10.422 -2.364 1.00 0.00 H new ATOM 0 HG SER A 58 -10.779 -12.041 -3.686 1.00 0.00 H new ATOM 913 N MET A 59 -6.554 -9.355 -2.573 1.00 0.00 N ATOM 914 CA MET A 59 -5.729 -8.578 -1.620 1.00 0.00 C ATOM 915 C MET A 59 -4.699 -7.767 -2.406 1.00 0.00 C ATOM 916 O MET A 59 -4.196 -6.760 -1.942 1.00 0.00 O ATOM 917 CB MET A 59 -5.046 -9.626 -0.741 1.00 0.00 C ATOM 918 CG MET A 59 -4.029 -8.941 0.174 1.00 0.00 C ATOM 919 SD MET A 59 -2.752 -10.131 0.651 1.00 0.00 S ATOM 920 CE MET A 59 -2.215 -10.568 -1.020 1.00 0.00 C ATOM 0 H MET A 59 -6.148 -10.241 -2.874 1.00 0.00 H new ATOM 0 HA MET A 59 -6.310 -7.878 -1.019 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.789 -10.156 -0.144 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.548 -10.369 -1.363 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.577 -8.092 -0.338 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.527 -8.550 1.061 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.599 -11.554 -1.279 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.596 -9.832 -1.729 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.126 -10.581 -1.060 1.00 0.00 H new ATOM 930 N ALA A 60 -4.394 -8.189 -3.605 1.00 0.00 N ATOM 931 CA ALA A 60 -3.411 -7.434 -4.426 1.00 0.00 C ATOM 932 C ALA A 60 -4.097 -6.229 -5.058 1.00 0.00 C ATOM 933 O ALA A 60 -3.492 -5.194 -5.260 1.00 0.00 O ATOM 934 CB ALA A 60 -2.938 -8.417 -5.498 1.00 0.00 C ATOM 0 H ALA A 60 -4.783 -9.022 -4.047 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.574 -7.058 -3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.208 -7.928 -6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.478 -9.282 -5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.790 -8.742 -6.095 1.00 0.00 H new ATOM 940 N LYS A 61 -5.365 -6.336 -5.345 1.00 0.00 N ATOM 941 CA LYS A 61 -6.076 -5.173 -5.928 1.00 0.00 C ATOM 942 C LYS A 61 -5.928 -4.019 -4.957 1.00 0.00 C ATOM 943 O LYS A 61 -5.705 -2.885 -5.334 1.00 0.00 O ATOM 944 CB LYS A 61 -7.538 -5.599 -6.040 1.00 0.00 C ATOM 945 CG LYS A 61 -7.697 -6.631 -7.154 1.00 0.00 C ATOM 946 CD LYS A 61 -8.965 -7.440 -6.898 1.00 0.00 C ATOM 947 CE LYS A 61 -8.895 -8.765 -7.659 1.00 0.00 C ATOM 948 NZ LYS A 61 -8.392 -8.406 -9.015 1.00 0.00 N ATOM 0 H LYS A 61 -5.932 -7.172 -5.201 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.691 -4.867 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.877 -6.019 -5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.164 -4.731 -6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.755 -6.135 -8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.829 -7.290 -7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.078 -7.629 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.840 -6.873 -7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.226 -9.469 -7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.874 -9.240 -7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.660 -9.148 -9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.809 -7.500 -9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.356 -8.318 -8.989 1.00 0.00 H new ATOM 962 N LEU A 62 -6.016 -4.320 -3.696 1.00 0.00 N ATOM 963 CA LEU A 62 -5.844 -3.270 -2.673 1.00 0.00 C ATOM 964 C LEU A 62 -4.432 -2.718 -2.797 1.00 0.00 C ATOM 965 O LEU A 62 -4.200 -1.528 -2.730 1.00 0.00 O ATOM 966 CB LEU A 62 -6.021 -3.987 -1.336 1.00 0.00 C ATOM 967 CG LEU A 62 -7.477 -4.422 -1.180 1.00 0.00 C ATOM 968 CD1 LEU A 62 -7.591 -5.431 -0.035 1.00 0.00 C ATOM 969 CD2 LEU A 62 -8.341 -3.197 -0.868 1.00 0.00 C ATOM 0 H LEU A 62 -6.201 -5.255 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.547 -2.443 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.364 -4.855 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.738 -3.326 -0.517 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.819 -4.885 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.630 -5.740 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.974 -6.302 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.250 -4.970 0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.381 -3.504 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.997 -2.736 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.261 -2.478 -1.683 1.00 0.00 H new ATOM 981 N CYS A 63 -3.484 -3.587 -3.011 1.00 0.00 N ATOM 982 CA CYS A 63 -2.086 -3.122 -3.166 1.00 0.00 C ATOM 983 C CYS A 63 -2.017 -2.203 -4.378 1.00 0.00 C ATOM 984 O CYS A 63 -1.265 -1.249 -4.416 1.00 0.00 O ATOM 985 CB CYS A 63 -1.262 -4.390 -3.385 1.00 0.00 C ATOM 986 SG CYS A 63 -1.271 -5.384 -1.874 1.00 0.00 S ATOM 0 H CYS A 63 -3.620 -4.595 -3.084 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.716 -2.565 -2.305 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.674 -4.965 -4.214 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.239 -4.129 -3.655 1.00 0.00 H new ATOM 0 HG CYS A 63 -2.409 -6.003 -1.769 1.00 0.00 H new ATOM 992 N HIS A 64 -2.827 -2.477 -5.362 1.00 0.00 N ATOM 993 CA HIS A 64 -2.849 -1.617 -6.572 1.00 0.00 C ATOM 994 C HIS A 64 -3.736 -0.403 -6.302 1.00 0.00 C ATOM 995 O HIS A 64 -3.437 0.706 -6.699 1.00 0.00 O ATOM 996 CB HIS A 64 -3.455 -2.489 -7.671 1.00 0.00 C ATOM 997 CG HIS A 64 -3.082 -1.930 -9.016 1.00 0.00 C ATOM 998 ND1 HIS A 64 -3.564 -2.468 -10.199 1.00 0.00 N ATOM 999 CD2 HIS A 64 -2.279 -0.878 -9.382 1.00 0.00 C ATOM 1000 CE1 HIS A 64 -3.052 -1.745 -11.211 1.00 0.00 C ATOM 1001 NE2 HIS A 64 -2.262 -0.763 -10.768 1.00 0.00 N ATOM 0 H HIS A 64 -3.476 -3.263 -5.378 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.861 -1.252 -6.852 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.094 -3.513 -7.578 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.540 -2.523 -7.567 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.742 -0.237 -8.698 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.255 -1.935 -12.255 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -1.755 -0.076 -11.326 1.00 0.00 H new ATOM 1009 N THR A 65 -4.823 -0.613 -5.611 1.00 0.00 N ATOM 1010 CA THR A 65 -5.738 0.514 -5.287 1.00 0.00 C ATOM 1011 C THR A 65 -5.029 1.481 -4.333 1.00 0.00 C ATOM 1012 O THR A 65 -4.911 2.660 -4.599 1.00 0.00 O ATOM 1013 CB THR A 65 -6.942 -0.158 -4.612 1.00 0.00 C ATOM 1014 OG1 THR A 65 -7.903 -0.501 -5.601 1.00 0.00 O ATOM 1015 CG2 THR A 65 -7.580 0.787 -3.592 1.00 0.00 C ATOM 0 H THR A 65 -5.117 -1.523 -5.256 1.00 0.00 H new ATOM 0 HA THR A 65 -6.041 1.096 -6.158 1.00 0.00 H new ATOM 0 HB THR A 65 -6.601 -1.055 -4.095 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.684 -1.378 -5.980 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.432 0.295 -3.123 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.846 1.048 -2.829 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.917 1.693 -4.096 1.00 0.00 H new ATOM 1023 N LEU A 66 -4.544 0.980 -3.234 1.00 0.00 N ATOM 1024 CA LEU A 66 -3.825 1.841 -2.268 1.00 0.00 C ATOM 1025 C LEU A 66 -2.747 2.625 -3.008 1.00 0.00 C ATOM 1026 O LEU A 66 -2.630 3.823 -2.873 1.00 0.00 O ATOM 1027 CB LEU A 66 -3.200 0.844 -1.299 1.00 0.00 C ATOM 1028 CG LEU A 66 -4.190 0.558 -0.177 1.00 0.00 C ATOM 1029 CD1 LEU A 66 -5.208 -0.494 -0.619 1.00 0.00 C ATOM 1030 CD2 LEU A 66 -3.432 0.051 1.048 1.00 0.00 C ATOM 0 H LEU A 66 -4.618 -0.001 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.461 2.568 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.945 -0.079 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.273 1.246 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.721 1.477 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.908 -0.687 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.754 -0.129 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.689 -1.417 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.138 -0.155 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.897 -0.863 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.720 0.809 1.375 1.00 0.00 H new ATOM 1042 N GLU A 67 -1.972 1.938 -3.802 1.00 0.00 N ATOM 1043 CA GLU A 67 -0.889 2.600 -4.580 1.00 0.00 C ATOM 1044 C GLU A 67 -1.478 3.561 -5.594 1.00 0.00 C ATOM 1045 O GLU A 67 -0.858 4.536 -5.970 1.00 0.00 O ATOM 1046 CB GLU A 67 -0.179 1.444 -5.283 1.00 0.00 C ATOM 1047 CG GLU A 67 0.638 1.969 -6.467 1.00 0.00 C ATOM 1048 CD GLU A 67 -0.076 1.621 -7.775 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -1.230 1.995 -7.915 1.00 0.00 O ATOM 1050 OE2 GLU A 67 0.542 0.988 -8.614 1.00 0.00 O ATOM 0 H GLU A 67 -2.045 0.931 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.216 3.186 -3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.475 0.928 -4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.911 0.715 -5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.764 3.049 -6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.636 1.530 -6.457 1.00 0.00 H new ATOM 1057 N ASN A 68 -2.671 3.316 -6.036 1.00 0.00 N ATOM 1058 CA ASN A 68 -3.269 4.248 -7.007 1.00 0.00 C ATOM 1059 C ASN A 68 -3.369 5.608 -6.353 1.00 0.00 C ATOM 1060 O ASN A 68 -2.988 6.606 -6.915 1.00 0.00 O ATOM 1061 CB ASN A 68 -4.657 3.700 -7.298 1.00 0.00 C ATOM 1062 CG ASN A 68 -4.766 3.315 -8.775 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -5.356 2.307 -9.110 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -4.220 4.081 -9.679 1.00 0.00 N ATOM 0 H ASN A 68 -3.250 2.520 -5.769 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.686 4.344 -7.923 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.853 2.830 -6.671 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.411 4.447 -7.051 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.289 3.834 -10.666 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.725 4.927 -9.399 1.00 0.00 H new ATOM 1071 N ILE A 69 -3.842 5.648 -5.140 1.00 0.00 N ATOM 1072 CA ILE A 69 -3.939 6.953 -4.442 1.00 0.00 C ATOM 1073 C ILE A 69 -2.556 7.550 -4.385 1.00 0.00 C ATOM 1074 O ILE A 69 -2.353 8.743 -4.482 1.00 0.00 O ATOM 1075 CB ILE A 69 -4.453 6.642 -3.042 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -5.940 6.313 -3.118 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -4.258 7.876 -2.156 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -6.147 4.922 -3.711 1.00 0.00 C ATOM 0 H ILE A 69 -4.163 4.839 -4.607 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.602 7.660 -4.941 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.908 5.795 -2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.381 6.360 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.453 7.056 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.623 7.664 -1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.199 8.128 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.814 8.715 -2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.213 4.702 -3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.724 4.888 -4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.651 4.181 -3.083 1.00 0.00 H new ATOM 1090 N LEU A 70 -1.604 6.698 -4.261 1.00 0.00 N ATOM 1091 CA LEU A 70 -0.193 7.162 -4.226 1.00 0.00 C ATOM 1092 C LEU A 70 0.174 7.674 -5.601 1.00 0.00 C ATOM 1093 O LEU A 70 1.036 8.515 -5.763 1.00 0.00 O ATOM 1094 CB LEU A 70 0.649 5.940 -3.850 1.00 0.00 C ATOM 1095 CG LEU A 70 0.053 5.252 -2.618 1.00 0.00 C ATOM 1096 CD1 LEU A 70 1.109 4.351 -1.980 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -0.400 6.302 -1.599 1.00 0.00 C ATOM 0 H LEU A 70 -1.732 5.689 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.029 7.967 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.684 5.241 -4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.676 6.244 -3.646 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.806 4.655 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.687 3.860 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.427 3.597 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.968 4.952 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.822 5.804 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.455 6.905 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.155 6.945 -2.051 1.00 0.00 H new ATOM 1109 N ASP A 71 -0.502 7.188 -6.591 1.00 0.00 N ATOM 1110 CA ASP A 71 -0.223 7.666 -7.970 1.00 0.00 C ATOM 1111 C ASP A 71 -0.859 9.039 -8.148 1.00 0.00 C ATOM 1112 O ASP A 71 -0.285 9.934 -8.735 1.00 0.00 O ATOM 1113 CB ASP A 71 -0.859 6.635 -8.903 1.00 0.00 C ATOM 1114 CG ASP A 71 -0.525 6.987 -10.354 1.00 0.00 C ATOM 1115 OD1 ASP A 71 -0.357 8.162 -10.633 1.00 0.00 O ATOM 1116 OD2 ASP A 71 -0.442 6.074 -11.159 1.00 0.00 O ATOM 0 H ASP A 71 -1.234 6.483 -6.511 1.00 0.00 H new ATOM 0 HA ASP A 71 0.842 7.765 -8.180 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.490 5.637 -8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.940 6.618 -8.761 1.00 0.00 H new ATOM 1121 N LYS A 72 -2.027 9.224 -7.603 1.00 0.00 N ATOM 1122 CA LYS A 72 -2.680 10.558 -7.693 1.00 0.00 C ATOM 1123 C LYS A 72 -1.899 11.495 -6.800 1.00 0.00 C ATOM 1124 O LYS A 72 -1.685 12.653 -7.091 1.00 0.00 O ATOM 1125 CB LYS A 72 -4.084 10.360 -7.138 1.00 0.00 C ATOM 1126 CG LYS A 72 -4.997 9.779 -8.199 1.00 0.00 C ATOM 1127 CD LYS A 72 -5.008 8.280 -8.012 1.00 0.00 C ATOM 1128 CE LYS A 72 -5.936 7.903 -6.857 1.00 0.00 C ATOM 1129 NZ LYS A 72 -7.278 7.735 -7.478 1.00 0.00 N ATOM 0 H LYS A 72 -2.557 8.512 -7.100 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.713 10.963 -8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.050 9.695 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.482 11.313 -6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.004 10.185 -8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.641 10.039 -9.196 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.340 7.793 -8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.998 7.923 -7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.608 6.984 -6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.950 8.680 -6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.969 7.475 -6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.567 8.628 -7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.236 6.984 -8.197 1.00 0.00 H new ATOM 1143 N ALA A 73 -1.451 10.955 -5.715 1.00 0.00 N ATOM 1144 CA ALA A 73 -0.639 11.732 -4.752 1.00 0.00 C ATOM 1145 C ALA A 73 0.629 12.195 -5.454 1.00 0.00 C ATOM 1146 O ALA A 73 1.148 13.265 -5.203 1.00 0.00 O ATOM 1147 CB ALA A 73 -0.309 10.724 -3.660 1.00 0.00 C ATOM 0 H ALA A 73 -1.616 9.985 -5.447 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.141 12.615 -4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.296 11.205 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.233 10.353 -3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.247 9.891 -4.090 1.00 0.00 H new ATOM 1153 N ARG A 74 1.112 11.390 -6.357 1.00 0.00 N ATOM 1154 CA ARG A 74 2.327 11.760 -7.119 1.00 0.00 C ATOM 1155 C ARG A 74 1.893 12.509 -8.383 1.00 0.00 C ATOM 1156 O ARG A 74 2.670 13.195 -9.016 1.00 0.00 O ATOM 1157 CB ARG A 74 3.020 10.418 -7.431 1.00 0.00 C ATOM 1158 CG ARG A 74 3.233 10.243 -8.940 1.00 0.00 C ATOM 1159 CD ARG A 74 3.903 8.894 -9.214 1.00 0.00 C ATOM 1160 NE ARG A 74 4.110 8.865 -10.688 1.00 0.00 N ATOM 1161 CZ ARG A 74 4.426 7.747 -11.283 1.00 0.00 C ATOM 1162 NH1 ARG A 74 3.512 6.839 -11.493 1.00 0.00 N ATOM 1163 NH2 ARG A 74 5.654 7.538 -11.670 1.00 0.00 N ATOM 0 H ARG A 74 0.711 10.484 -6.599 1.00 0.00 H new ATOM 0 HA ARG A 74 3.010 12.419 -6.583 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.981 10.373 -6.918 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.416 9.596 -7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.277 10.297 -9.461 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.853 11.053 -9.326 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.849 8.806 -8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.274 8.066 -8.886 1.00 0.00 H new ATOM 0 HE ARG A 74 4.005 9.720 -11.234 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.551 7.003 -11.192 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.758 5.965 -11.958 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.368 8.248 -11.508 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.900 6.664 -12.135 1.00 0.00 H new ATOM 1177 N ASN A 75 0.642 12.386 -8.737 1.00 0.00 N ATOM 1178 CA ASN A 75 0.129 13.094 -9.942 1.00 0.00 C ATOM 1179 C ASN A 75 -0.632 14.348 -9.509 1.00 0.00 C ATOM 1180 O ASN A 75 -1.117 15.107 -10.326 1.00 0.00 O ATOM 1181 CB ASN A 75 -0.814 12.096 -10.616 1.00 0.00 C ATOM 1182 CG ASN A 75 -1.152 12.584 -12.025 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -0.520 13.489 -12.535 1.00 0.00 O ATOM 1184 ND2 ASN A 75 -2.129 12.020 -12.682 1.00 0.00 N ATOM 0 H ASN A 75 -0.048 11.823 -8.240 1.00 0.00 H new ATOM 0 HA ASN A 75 0.924 13.412 -10.616 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.346 11.113 -10.663 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.726 11.988 -10.029 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.362 12.339 -13.623 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -2.660 11.261 -12.255 1.00 0.00 H new ATOM 1191 N SER A 76 -0.734 14.568 -8.222 1.00 0.00 N ATOM 1192 CA SER A 76 -1.452 15.766 -7.703 1.00 0.00 C ATOM 1193 C SER A 76 -2.966 15.595 -7.844 1.00 0.00 C ATOM 1194 O SER A 76 -3.698 16.564 -7.883 1.00 0.00 O ATOM 1195 CB SER A 76 -0.963 16.941 -8.552 1.00 0.00 C ATOM 1196 OG SER A 76 -0.912 18.112 -7.748 1.00 0.00 O ATOM 0 H SER A 76 -0.344 13.959 -7.502 1.00 0.00 H new ATOM 0 HA SER A 76 -1.252 15.923 -6.643 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.024 16.723 -8.961 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.632 17.096 -9.399 1.00 0.00 H new ATOM 0 HG SER A 76 -0.598 18.867 -8.289 1.00 0.00 H new ATOM 1202 N GLU A 77 -3.457 14.383 -7.910 1.00 0.00 N ATOM 1203 CA GLU A 77 -4.930 14.213 -8.036 1.00 0.00 C ATOM 1204 C GLU A 77 -5.536 13.998 -6.652 1.00 0.00 C ATOM 1205 O GLU A 77 -6.677 14.330 -6.400 1.00 0.00 O ATOM 1206 CB GLU A 77 -5.150 12.997 -8.942 1.00 0.00 C ATOM 1207 CG GLU A 77 -4.206 13.057 -10.150 1.00 0.00 C ATOM 1208 CD GLU A 77 -4.992 13.475 -11.394 1.00 0.00 C ATOM 1209 OE1 GLU A 77 -6.101 12.994 -11.560 1.00 0.00 O ATOM 1210 OE2 GLU A 77 -4.471 14.267 -12.160 1.00 0.00 O ATOM 0 H GLU A 77 -2.912 13.522 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.411 15.092 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.975 12.080 -8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.185 12.970 -9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.401 13.767 -9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.742 12.084 -10.310 1.00 0.00 H new ATOM 1217 N ILE A 78 -4.765 13.473 -5.749 1.00 0.00 N ATOM 1218 CA ILE A 78 -5.275 13.262 -4.361 1.00 0.00 C ATOM 1219 C ILE A 78 -4.186 13.615 -3.355 1.00 0.00 C ATOM 1220 O ILE A 78 -3.057 13.882 -3.716 1.00 0.00 O ATOM 1221 CB ILE A 78 -5.615 11.779 -4.256 1.00 0.00 C ATOM 1222 CG1 ILE A 78 -4.335 10.954 -4.386 1.00 0.00 C ATOM 1223 CG2 ILE A 78 -6.586 11.393 -5.373 1.00 0.00 C ATOM 1224 CD1 ILE A 78 -3.602 10.886 -3.061 1.00 0.00 C ATOM 0 H ILE A 78 -3.801 13.178 -5.907 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.143 13.887 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.080 11.582 -3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.579 9.947 -4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.687 11.396 -5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.827 10.333 -5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.499 11.981 -5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.124 11.590 -6.341 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.694 10.294 -3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.339 11.893 -2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.245 10.422 -2.313 1.00 0.00 H new ATOM 1236 N LYS A 79 -4.507 13.605 -2.095 1.00 0.00 N ATOM 1237 CA LYS A 79 -3.482 13.925 -1.079 1.00 0.00 C ATOM 1238 C LYS A 79 -3.576 12.932 0.078 1.00 0.00 C ATOM 1239 O LYS A 79 -4.483 12.129 0.147 1.00 0.00 O ATOM 1240 CB LYS A 79 -3.822 15.341 -0.608 1.00 0.00 C ATOM 1241 CG LYS A 79 -3.403 16.353 -1.681 1.00 0.00 C ATOM 1242 CD LYS A 79 -1.931 16.141 -2.052 1.00 0.00 C ATOM 1243 CE LYS A 79 -1.119 15.829 -0.792 1.00 0.00 C ATOM 1244 NZ LYS A 79 0.295 15.754 -1.251 1.00 0.00 N ATOM 0 H LYS A 79 -5.434 13.389 -1.729 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.467 13.864 -1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.891 15.424 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.310 15.556 0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.030 16.239 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.552 17.368 -1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.841 15.322 -2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.537 17.033 -2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.248 16.605 -0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.437 14.889 -0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.837 15.142 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.327 15.360 -2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.710 16.707 -1.253 1.00 0.00 H new ATOM 1258 N ILE A 80 -2.650 12.982 0.989 1.00 0.00 N ATOM 1259 CA ILE A 80 -2.695 12.043 2.141 1.00 0.00 C ATOM 1260 C ILE A 80 -2.870 12.842 3.419 1.00 0.00 C ATOM 1261 O ILE A 80 -1.936 13.179 4.118 1.00 0.00 O ATOM 1262 CB ILE A 80 -1.371 11.320 2.085 1.00 0.00 C ATOM 1263 CG1 ILE A 80 -1.310 10.589 0.747 1.00 0.00 C ATOM 1264 CG2 ILE A 80 -1.267 10.324 3.239 1.00 0.00 C ATOM 1265 CD1 ILE A 80 -0.175 9.579 0.760 1.00 0.00 C ATOM 0 H ILE A 80 -1.864 13.632 0.987 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.522 11.334 2.109 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.542 12.022 2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.256 10.083 0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.162 11.305 -0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.308 9.808 3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.344 10.856 4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.075 9.596 3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.138 9.061 -0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.770 10.095 0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.342 8.855 1.557 1.00 0.00 H new ATOM 1277 N THR A 81 -4.087 13.159 3.684 1.00 0.00 N ATOM 1278 CA THR A 81 -4.441 13.974 4.881 1.00 0.00 C ATOM 1279 C THR A 81 -4.750 13.078 6.078 1.00 0.00 C ATOM 1280 O THR A 81 -5.552 13.422 6.924 1.00 0.00 O ATOM 1281 CB THR A 81 -5.699 14.723 4.437 1.00 0.00 C ATOM 1282 OG1 THR A 81 -5.934 15.823 5.304 1.00 0.00 O ATOM 1283 CG2 THR A 81 -6.905 13.777 4.458 1.00 0.00 C ATOM 0 H THR A 81 -4.885 12.885 3.110 1.00 0.00 H new ATOM 0 HA THR A 81 -3.634 14.634 5.198 1.00 0.00 H new ATOM 0 HB THR A 81 -5.555 15.092 3.422 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.898 15.519 6.235 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.797 14.317 4.141 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.725 12.943 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.052 13.397 5.469 1.00 0.00 H new ATOM 1291 N SER A 82 -4.151 11.918 6.137 1.00 0.00 N ATOM 1292 CA SER A 82 -4.440 10.971 7.258 1.00 0.00 C ATOM 1293 C SER A 82 -5.802 10.313 7.022 1.00 0.00 C ATOM 1294 O SER A 82 -6.194 9.400 7.719 1.00 0.00 O ATOM 1295 CB SER A 82 -4.467 11.811 8.534 1.00 0.00 C ATOM 1296 OG SER A 82 -3.510 12.856 8.433 1.00 0.00 O ATOM 0 H SER A 82 -3.471 11.583 5.455 1.00 0.00 H new ATOM 0 HA SER A 82 -3.692 10.182 7.330 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.462 12.228 8.686 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.248 11.185 9.399 1.00 0.00 H new ATOM 0 HG SER A 82 -3.528 13.396 9.250 1.00 0.00 H new ATOM 1302 N ASP A 83 -6.517 10.768 6.025 1.00 0.00 N ATOM 1303 CA ASP A 83 -7.840 10.178 5.706 1.00 0.00 C ATOM 1304 C ASP A 83 -7.703 9.368 4.423 1.00 0.00 C ATOM 1305 O ASP A 83 -8.068 8.210 4.367 1.00 0.00 O ATOM 1306 CB ASP A 83 -8.769 11.370 5.494 1.00 0.00 C ATOM 1307 CG ASP A 83 -10.204 10.875 5.309 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -10.410 9.676 5.390 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -11.073 11.704 5.092 1.00 0.00 O ATOM 0 H ASP A 83 -6.232 11.533 5.414 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.220 9.519 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.713 12.044 6.349 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.454 11.938 4.619 1.00 0.00 H new ATOM 1314 N LEU A 84 -7.149 9.955 3.393 1.00 0.00 N ATOM 1315 CA LEU A 84 -6.965 9.181 2.138 1.00 0.00 C ATOM 1316 C LEU A 84 -6.026 8.026 2.436 1.00 0.00 C ATOM 1317 O LEU A 84 -6.142 6.952 1.882 1.00 0.00 O ATOM 1318 CB LEU A 84 -6.357 10.160 1.131 1.00 0.00 C ATOM 1319 CG LEU A 84 -7.321 11.333 0.898 1.00 0.00 C ATOM 1320 CD1 LEU A 84 -6.978 12.021 -0.425 1.00 0.00 C ATOM 1321 CD2 LEU A 84 -8.764 10.818 0.837 1.00 0.00 C ATOM 0 H LEU A 84 -6.822 10.921 3.369 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.891 8.766 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.402 10.531 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.157 9.649 0.189 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.223 12.042 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.662 12.853 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.955 12.394 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.073 11.306 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.442 11.655 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.861 10.105 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.015 10.328 1.777 1.00 0.00 H new ATOM 1333 N LEU A 85 -5.117 8.232 3.344 1.00 0.00 N ATOM 1334 CA LEU A 85 -4.192 7.138 3.722 1.00 0.00 C ATOM 1335 C LEU A 85 -4.917 6.218 4.711 1.00 0.00 C ATOM 1336 O LEU A 85 -4.692 5.027 4.753 1.00 0.00 O ATOM 1337 CB LEU A 85 -2.981 7.845 4.356 1.00 0.00 C ATOM 1338 CG LEU A 85 -2.916 7.585 5.866 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -2.373 6.176 6.117 1.00 0.00 C ATOM 1340 CD2 LEU A 85 -1.992 8.615 6.518 1.00 0.00 C ATOM 0 H LEU A 85 -4.976 9.112 3.840 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.869 6.516 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.063 7.494 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.045 8.917 4.171 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.914 7.670 6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.326 5.990 7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.032 5.444 5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.374 6.090 5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.944 8.433 7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.993 8.530 6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.380 9.618 6.337 1.00 0.00 H new ATOM 1352 N ASP A 86 -5.800 6.777 5.497 1.00 0.00 N ATOM 1353 CA ASP A 86 -6.562 5.949 6.475 1.00 0.00 C ATOM 1354 C ASP A 86 -7.359 4.887 5.724 1.00 0.00 C ATOM 1355 O ASP A 86 -7.538 3.783 6.194 1.00 0.00 O ATOM 1356 CB ASP A 86 -7.498 6.928 7.188 1.00 0.00 C ATOM 1357 CG ASP A 86 -8.637 6.160 7.860 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -8.378 5.087 8.379 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -9.751 6.659 7.845 1.00 0.00 O ATOM 0 H ASP A 86 -6.026 7.772 5.503 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.915 5.431 7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.943 7.499 7.933 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.902 7.645 6.473 1.00 0.00 H new ATOM 1364 N LYS A 87 -7.816 5.205 4.543 1.00 0.00 N ATOM 1365 CA LYS A 87 -8.571 4.200 3.749 1.00 0.00 C ATOM 1366 C LYS A 87 -7.560 3.253 3.134 1.00 0.00 C ATOM 1367 O LYS A 87 -7.671 2.048 3.243 1.00 0.00 O ATOM 1368 CB LYS A 87 -9.315 4.995 2.675 1.00 0.00 C ATOM 1369 CG LYS A 87 -10.257 5.997 3.345 1.00 0.00 C ATOM 1370 CD LYS A 87 -11.064 5.286 4.436 1.00 0.00 C ATOM 1371 CE LYS A 87 -12.347 6.071 4.721 1.00 0.00 C ATOM 1372 NZ LYS A 87 -12.220 6.514 6.138 1.00 0.00 N ATOM 0 H LYS A 87 -7.699 6.115 4.097 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.277 3.614 4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.604 5.519 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.881 4.319 2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.685 6.818 3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.929 6.432 2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.309 4.272 4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.469 5.200 5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.446 6.923 4.048 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.230 5.448 4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.741 7.404 6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.614 5.785 6.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.216 6.663 6.367 1.00 0.00 H new ATOM 1386 N ILE A 88 -6.543 3.791 2.530 1.00 0.00 N ATOM 1387 CA ILE A 88 -5.495 2.910 1.964 1.00 0.00 C ATOM 1388 C ILE A 88 -4.972 2.040 3.107 1.00 0.00 C ATOM 1389 O ILE A 88 -4.871 0.835 3.003 1.00 0.00 O ATOM 1390 CB ILE A 88 -4.414 3.864 1.447 1.00 0.00 C ATOM 1391 CG1 ILE A 88 -4.742 4.292 0.024 1.00 0.00 C ATOM 1392 CG2 ILE A 88 -3.045 3.189 1.466 1.00 0.00 C ATOM 1393 CD1 ILE A 88 -4.654 5.812 -0.071 1.00 0.00 C ATOM 0 H ILE A 88 -6.394 4.792 2.405 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.839 2.255 1.164 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.387 4.737 2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.047 3.830 -0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.742 3.955 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.292 3.884 1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.798 2.897 2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.067 2.304 0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.888 6.127 -1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.366 6.262 0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.645 6.135 0.186 1.00 0.00 H new ATOM 1405 N PHE A 89 -4.669 2.659 4.216 1.00 0.00 N ATOM 1406 CA PHE A 89 -4.179 1.895 5.395 1.00 0.00 C ATOM 1407 C PHE A 89 -5.262 0.925 5.846 1.00 0.00 C ATOM 1408 O PHE A 89 -5.001 -0.072 6.492 1.00 0.00 O ATOM 1409 CB PHE A 89 -3.903 2.952 6.466 1.00 0.00 C ATOM 1410 CG PHE A 89 -3.852 2.297 7.826 1.00 0.00 C ATOM 1411 CD1 PHE A 89 -2.922 1.281 8.080 1.00 0.00 C ATOM 1412 CD2 PHE A 89 -4.734 2.706 8.832 1.00 0.00 C ATOM 1413 CE1 PHE A 89 -2.876 0.675 9.341 1.00 0.00 C ATOM 1414 CE2 PHE A 89 -4.689 2.099 10.093 1.00 0.00 C ATOM 1415 CZ PHE A 89 -3.759 1.084 10.347 1.00 0.00 C ATOM 0 H PHE A 89 -4.741 3.667 4.355 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.286 1.306 5.183 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.959 3.456 6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.682 3.714 6.448 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.241 0.965 7.304 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.450 3.490 8.636 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.159 -0.108 9.538 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.371 2.414 10.869 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.723 0.616 11.320 1.00 0.00 H new ATOM 1425 N ALA A 90 -6.472 1.202 5.477 1.00 0.00 N ATOM 1426 CA ALA A 90 -7.590 0.296 5.837 1.00 0.00 C ATOM 1427 C ALA A 90 -7.510 -0.909 4.914 1.00 0.00 C ATOM 1428 O ALA A 90 -7.790 -2.029 5.294 1.00 0.00 O ATOM 1429 CB ALA A 90 -8.867 1.098 5.581 1.00 0.00 C ATOM 0 H ALA A 90 -6.739 2.024 4.936 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.561 -0.052 6.870 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.736 0.487 5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.865 1.993 6.203 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.911 1.386 4.531 1.00 0.00 H new ATOM 1435 N GLY A 91 -7.087 -0.676 3.704 1.00 0.00 N ATOM 1436 CA GLY A 91 -6.933 -1.795 2.742 1.00 0.00 C ATOM 1437 C GLY A 91 -5.803 -2.680 3.253 1.00 0.00 C ATOM 1438 O GLY A 91 -5.900 -3.892 3.269 1.00 0.00 O ATOM 0 H GLY A 91 -6.841 0.245 3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.860 -2.363 2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.704 -1.416 1.746 1.00 0.00 H new ATOM 1442 N VAL A 92 -4.740 -2.070 3.710 1.00 0.00 N ATOM 1443 CA VAL A 92 -3.608 -2.857 4.268 1.00 0.00 C ATOM 1444 C VAL A 92 -4.098 -3.557 5.538 1.00 0.00 C ATOM 1445 O VAL A 92 -3.601 -4.595 5.928 1.00 0.00 O ATOM 1446 CB VAL A 92 -2.522 -1.818 4.582 1.00 0.00 C ATOM 1447 CG1 VAL A 92 -1.667 -2.279 5.768 1.00 0.00 C ATOM 1448 CG2 VAL A 92 -1.621 -1.645 3.357 1.00 0.00 C ATOM 0 H VAL A 92 -4.610 -1.058 3.719 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.225 -3.623 3.594 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.002 -0.873 4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.902 -1.531 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.301 -2.406 6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.190 -3.228 5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.848 -0.908 3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.154 -2.599 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.218 -1.305 2.511 1.00 0.00 H new ATOM 1458 N ASP A 93 -5.091 -2.991 6.169 1.00 0.00 N ATOM 1459 CA ASP A 93 -5.653 -3.606 7.399 1.00 0.00 C ATOM 1460 C ASP A 93 -6.363 -4.900 7.018 1.00 0.00 C ATOM 1461 O ASP A 93 -6.223 -5.916 7.669 1.00 0.00 O ATOM 1462 CB ASP A 93 -6.647 -2.573 7.933 1.00 0.00 C ATOM 1463 CG ASP A 93 -6.485 -2.442 9.448 1.00 0.00 C ATOM 1464 OD1 ASP A 93 -5.447 -1.959 9.873 1.00 0.00 O ATOM 1465 OD2 ASP A 93 -7.400 -2.824 10.158 1.00 0.00 O ATOM 0 H ASP A 93 -5.539 -2.121 5.880 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.898 -3.852 8.146 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.477 -1.609 7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.666 -2.875 7.691 1.00 0.00 H new ATOM 1470 N MET A 94 -7.101 -4.875 5.942 1.00 0.00 N ATOM 1471 CA MET A 94 -7.790 -6.109 5.491 1.00 0.00 C ATOM 1472 C MET A 94 -6.744 -7.036 4.882 1.00 0.00 C ATOM 1473 O MET A 94 -6.788 -8.240 5.037 1.00 0.00 O ATOM 1474 CB MET A 94 -8.796 -5.652 4.434 1.00 0.00 C ATOM 1475 CG MET A 94 -9.688 -4.557 5.019 1.00 0.00 C ATOM 1476 SD MET A 94 -11.148 -4.346 3.971 1.00 0.00 S ATOM 1477 CE MET A 94 -10.272 -4.170 2.397 1.00 0.00 C ATOM 0 H MET A 94 -7.254 -4.052 5.359 1.00 0.00 H new ATOM 0 HA MET A 94 -8.294 -6.644 6.296 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.271 -5.277 3.555 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.404 -6.495 4.107 1.00 0.00 H new ATOM 0 HG2 MET A 94 -9.990 -4.821 6.033 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.136 -3.620 5.085 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.930 -3.701 1.665 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.388 -3.549 2.540 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.971 -5.153 2.036 1.00 0.00 H new ATOM 1487 N ILE A 95 -5.784 -6.462 4.210 1.00 0.00 N ATOM 1488 CA ILE A 95 -4.697 -7.276 3.607 1.00 0.00 C ATOM 1489 C ILE A 95 -4.013 -8.073 4.721 1.00 0.00 C ATOM 1490 O ILE A 95 -3.627 -9.211 4.542 1.00 0.00 O ATOM 1491 CB ILE A 95 -3.754 -6.235 2.983 1.00 0.00 C ATOM 1492 CG1 ILE A 95 -4.085 -6.078 1.496 1.00 0.00 C ATOM 1493 CG2 ILE A 95 -2.292 -6.664 3.131 1.00 0.00 C ATOM 1494 CD1 ILE A 95 -3.771 -4.648 1.051 1.00 0.00 C ATOM 0 H ILE A 95 -5.708 -5.457 4.053 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.034 -7.997 2.862 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.893 -5.287 3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.506 -6.789 0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.137 -6.302 1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.645 -5.911 2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.048 -6.768 4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.140 -7.619 2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.007 -4.536 -0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.370 -3.946 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.713 -4.441 1.211 1.00 0.00 H new ATOM 1506 N THR A 96 -3.884 -7.482 5.878 1.00 0.00 N ATOM 1507 CA THR A 96 -3.253 -8.200 7.014 1.00 0.00 C ATOM 1508 C THR A 96 -4.235 -9.245 7.535 1.00 0.00 C ATOM 1509 O THR A 96 -3.906 -10.405 7.687 1.00 0.00 O ATOM 1510 CB THR A 96 -2.991 -7.124 8.070 1.00 0.00 C ATOM 1511 OG1 THR A 96 -1.929 -6.287 7.635 1.00 0.00 O ATOM 1512 CG2 THR A 96 -2.609 -7.785 9.396 1.00 0.00 C ATOM 0 H THR A 96 -4.190 -6.531 6.083 1.00 0.00 H new ATOM 0 HA THR A 96 -2.332 -8.715 6.741 1.00 0.00 H new ATOM 0 HB THR A 96 -3.893 -6.528 8.212 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.275 -5.619 7.006 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.423 -7.016 10.146 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.423 -8.428 9.730 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.708 -8.383 9.258 1.00 0.00 H new ATOM 1520 N ARG A 97 -5.451 -8.844 7.792 1.00 0.00 N ATOM 1521 CA ARG A 97 -6.463 -9.811 8.277 1.00 0.00 C ATOM 1522 C ARG A 97 -6.512 -10.999 7.323 1.00 0.00 C ATOM 1523 O ARG A 97 -6.562 -12.142 7.734 1.00 0.00 O ATOM 1524 CB ARG A 97 -7.780 -9.037 8.243 1.00 0.00 C ATOM 1525 CG ARG A 97 -8.078 -8.442 9.620 1.00 0.00 C ATOM 1526 CD ARG A 97 -6.814 -7.822 10.222 1.00 0.00 C ATOM 1527 NE ARG A 97 -6.321 -8.821 11.209 1.00 0.00 N ATOM 1528 CZ ARG A 97 -5.621 -8.429 12.237 1.00 0.00 C ATOM 1529 NH1 ARG A 97 -6.224 -8.054 13.332 1.00 0.00 N ATOM 1530 NH2 ARG A 97 -4.318 -8.410 12.170 1.00 0.00 N ATOM 0 H ARG A 97 -5.783 -7.885 7.685 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.248 -10.199 9.273 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.724 -8.242 7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.592 -9.699 7.941 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.856 -7.684 9.534 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.461 -9.218 10.283 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.067 -7.626 9.453 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.034 -6.869 10.703 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.530 -9.811 11.081 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.243 -8.068 13.384 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.677 -7.747 14.136 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -3.847 -8.702 11.314 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.770 -8.103 12.974 1.00 0.00 H new ATOM 1544 N MET A 98 -6.472 -10.736 6.045 1.00 0.00 N ATOM 1545 CA MET A 98 -6.488 -11.847 5.062 1.00 0.00 C ATOM 1546 C MET A 98 -5.195 -12.633 5.216 1.00 0.00 C ATOM 1547 O MET A 98 -5.161 -13.836 5.081 1.00 0.00 O ATOM 1548 CB MET A 98 -6.543 -11.176 3.690 1.00 0.00 C ATOM 1549 CG MET A 98 -7.843 -10.390 3.557 1.00 0.00 C ATOM 1550 SD MET A 98 -7.618 -9.052 2.360 1.00 0.00 S ATOM 1551 CE MET A 98 -8.843 -9.622 1.157 1.00 0.00 C ATOM 0 H MET A 98 -6.429 -9.799 5.643 1.00 0.00 H new ATOM 0 HA MET A 98 -7.327 -12.530 5.198 1.00 0.00 H new ATOM 0 HB2 MET A 98 -5.689 -10.510 3.565 1.00 0.00 H new ATOM 0 HB3 MET A 98 -6.479 -11.928 2.903 1.00 0.00 H new ATOM 0 HG2 MET A 98 -8.648 -11.050 3.234 1.00 0.00 H new ATOM 0 HG3 MET A 98 -8.134 -9.982 4.525 1.00 0.00 H new ATOM 0 HE1 MET A 98 -9.149 -8.788 0.526 1.00 0.00 H new ATOM 0 HE2 MET A 98 -8.407 -10.405 0.537 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.713 -10.017 1.682 1.00 0.00 H new ATOM 1561 N VAL A 99 -4.132 -11.940 5.513 1.00 0.00 N ATOM 1562 CA VAL A 99 -2.822 -12.608 5.699 1.00 0.00 C ATOM 1563 C VAL A 99 -2.845 -13.423 6.993 1.00 0.00 C ATOM 1564 O VAL A 99 -2.287 -14.499 7.064 1.00 0.00 O ATOM 1565 CB VAL A 99 -1.820 -11.456 5.786 1.00 0.00 C ATOM 1566 CG1 VAL A 99 -0.551 -11.919 6.508 1.00 0.00 C ATOM 1567 CG2 VAL A 99 -1.459 -10.994 4.373 1.00 0.00 C ATOM 0 H VAL A 99 -4.119 -10.927 5.635 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.570 -13.301 4.896 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.267 -10.632 6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.157 -11.092 6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.805 -12.250 7.515 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.100 -12.745 5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.745 -10.173 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.015 -11.823 3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.359 -10.657 3.859 1.00 0.00 H new ATOM 1577 N ASP A 100 -3.496 -12.928 8.013 1.00 0.00 N ATOM 1578 CA ASP A 100 -3.554 -13.697 9.286 1.00 0.00 C ATOM 1579 C ASP A 100 -4.419 -14.936 9.083 1.00 0.00 C ATOM 1580 O ASP A 100 -4.214 -15.963 9.699 1.00 0.00 O ATOM 1581 CB ASP A 100 -4.185 -12.747 10.306 1.00 0.00 C ATOM 1582 CG ASP A 100 -3.566 -12.993 11.683 1.00 0.00 C ATOM 1583 OD1 ASP A 100 -2.353 -12.914 11.789 1.00 0.00 O ATOM 1584 OD2 ASP A 100 -4.316 -13.257 12.609 1.00 0.00 O ATOM 0 H ASP A 100 -3.985 -12.033 8.018 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.574 -14.036 9.621 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.025 -11.712 10.003 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -5.263 -12.904 10.347 1.00 0.00 H new ATOM 1589 N LYS A 101 -5.369 -14.855 8.194 1.00 0.00 N ATOM 1590 CA LYS A 101 -6.227 -16.028 7.916 1.00 0.00 C ATOM 1591 C LYS A 101 -5.578 -16.824 6.782 1.00 0.00 C ATOM 1592 O LYS A 101 -5.564 -18.039 6.780 1.00 0.00 O ATOM 1593 CB LYS A 101 -7.590 -15.424 7.549 1.00 0.00 C ATOM 1594 CG LYS A 101 -8.017 -15.792 6.130 1.00 0.00 C ATOM 1595 CD LYS A 101 -8.632 -14.575 5.483 1.00 0.00 C ATOM 1596 CE LYS A 101 -9.926 -14.989 4.793 1.00 0.00 C ATOM 1597 NZ LYS A 101 -10.988 -14.826 5.825 1.00 0.00 N ATOM 0 H LYS A 101 -5.585 -14.021 7.648 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.349 -16.725 8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.343 -15.773 8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.543 -14.339 7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.158 -16.134 5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.734 -16.613 6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.832 -13.809 6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.941 -14.141 4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.125 -14.365 3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.873 -16.020 4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.881 -14.556 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.118 -15.724 6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.707 -14.084 6.498 1.00 0.00 H new ATOM 1611 N ILE A 102 -5.010 -16.128 5.829 1.00 0.00 N ATOM 1612 CA ILE A 102 -4.328 -16.818 4.705 1.00 0.00 C ATOM 1613 C ILE A 102 -3.169 -17.598 5.300 1.00 0.00 C ATOM 1614 O ILE A 102 -2.856 -18.703 4.904 1.00 0.00 O ATOM 1615 CB ILE A 102 -3.826 -15.697 3.788 1.00 0.00 C ATOM 1616 CG1 ILE A 102 -4.950 -15.272 2.843 1.00 0.00 C ATOM 1617 CG2 ILE A 102 -2.633 -16.186 2.964 1.00 0.00 C ATOM 1618 CD1 ILE A 102 -4.461 -14.130 1.954 1.00 0.00 C ATOM 0 H ILE A 102 -4.992 -15.109 5.786 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.965 -17.506 4.150 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.516 -14.850 4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.263 -16.117 2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.821 -14.954 3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -2.284 -15.382 2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.828 -16.488 3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.936 -17.037 2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.261 -13.826 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.169 -13.284 2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.603 -14.465 1.371 1.00 0.00 H new ATOM 1630 N VAL A 103 -2.555 -17.019 6.285 1.00 0.00 N ATOM 1631 CA VAL A 103 -1.432 -17.700 6.970 1.00 0.00 C ATOM 1632 C VAL A 103 -2.006 -18.842 7.806 1.00 0.00 C ATOM 1633 O VAL A 103 -1.379 -19.861 8.017 1.00 0.00 O ATOM 1634 CB VAL A 103 -0.815 -16.622 7.861 1.00 0.00 C ATOM 1635 CG1 VAL A 103 0.006 -17.277 8.974 1.00 0.00 C ATOM 1636 CG2 VAL A 103 0.094 -15.723 7.018 1.00 0.00 C ATOM 0 H VAL A 103 -2.785 -16.094 6.648 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.691 -18.123 6.292 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.610 -16.024 8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.444 -16.504 9.606 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.641 -17.915 9.576 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.801 -17.879 8.534 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.535 -14.954 7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.887 -16.323 6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.492 -15.251 6.229 1.00 0.00 H new ATOM 1646 N SER A 104 -3.212 -18.666 8.277 1.00 0.00 N ATOM 1647 CA SER A 104 -3.866 -19.724 9.098 1.00 0.00 C ATOM 1648 C SER A 104 -4.487 -20.790 8.204 1.00 0.00 C ATOM 1649 O SER A 104 -4.542 -21.955 8.543 1.00 0.00 O ATOM 1650 CB SER A 104 -4.955 -18.993 9.879 1.00 0.00 C ATOM 1651 OG SER A 104 -4.668 -19.066 11.270 1.00 0.00 O ATOM 0 H SER A 104 -3.775 -17.829 8.127 1.00 0.00 H new ATOM 0 HA SER A 104 -3.156 -20.233 9.750 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.009 -17.952 9.562 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.928 -19.440 9.673 1.00 0.00 H new ATOM 0 HG SER A 104 -5.365 -18.596 11.773 1.00 0.00 H new ATOM 1657 N GLU A 105 -4.960 -20.388 7.070 1.00 0.00 N ATOM 1658 CA GLU A 105 -5.597 -21.357 6.129 1.00 0.00 C ATOM 1659 C GLU A 105 -5.127 -21.094 4.700 1.00 0.00 C ATOM 1660 O GLU A 105 -4.961 -22.005 3.912 1.00 0.00 O ATOM 1661 CB GLU A 105 -7.104 -21.098 6.231 1.00 0.00 C ATOM 1662 CG GLU A 105 -7.522 -20.935 7.695 1.00 0.00 C ATOM 1663 CD GLU A 105 -7.639 -22.312 8.353 1.00 0.00 C ATOM 1664 OE1 GLU A 105 -6.629 -22.989 8.451 1.00 0.00 O ATOM 1665 OE2 GLU A 105 -8.737 -22.666 8.749 1.00 0.00 O ATOM 0 H GLU A 105 -4.937 -19.422 6.743 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.338 -22.386 6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.363 -20.200 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.652 -21.925 5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.790 -20.328 8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.475 -20.410 7.755 1.00 0.00 H new ATOM 1672 N GLY A 106 -4.926 -19.854 4.353 1.00 0.00 N ATOM 1673 CA GLY A 106 -4.483 -19.530 2.969 1.00 0.00 C ATOM 1674 C GLY A 106 -5.650 -18.917 2.194 1.00 0.00 C ATOM 1675 O GLY A 106 -5.676 -18.931 0.980 1.00 0.00 O ATOM 0 H GLY A 106 -5.049 -19.050 4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.645 -18.834 2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.132 -20.432 2.467 1.00 0.00 H new ATOM 1679 N SER A 107 -6.618 -18.375 2.886 1.00 0.00 N ATOM 1680 CA SER A 107 -7.778 -17.760 2.182 1.00 0.00 C ATOM 1681 C SER A 107 -7.794 -16.263 2.422 1.00 0.00 C ATOM 1682 O SER A 107 -7.697 -15.811 3.534 1.00 0.00 O ATOM 1683 CB SER A 107 -9.010 -18.408 2.804 1.00 0.00 C ATOM 1684 OG SER A 107 -8.785 -19.804 2.949 1.00 0.00 O ATOM 0 H SER A 107 -6.654 -18.332 3.904 1.00 0.00 H new ATOM 0 HA SER A 107 -7.737 -17.915 1.104 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.220 -17.959 3.775 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.883 -18.232 2.176 1.00 0.00 H new ATOM 0 HG SER A 107 -9.575 -20.223 3.350 1.00 0.00 H new ATOM 1690 N ASP A 108 -7.931 -15.492 1.387 1.00 0.00 N ATOM 1691 CA ASP A 108 -7.981 -14.018 1.565 1.00 0.00 C ATOM 1692 C ASP A 108 -9.445 -13.586 1.632 1.00 0.00 C ATOM 1693 O ASP A 108 -9.768 -12.417 1.566 1.00 0.00 O ATOM 1694 CB ASP A 108 -7.301 -13.439 0.324 1.00 0.00 C ATOM 1695 CG ASP A 108 -7.952 -14.020 -0.933 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -7.748 -15.194 -1.193 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -8.641 -13.281 -1.615 1.00 0.00 O ATOM 0 H ASP A 108 -8.011 -15.817 0.424 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.488 -13.678 2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.388 -12.352 0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.237 -13.674 0.337 1.00 0.00 H new ATOM 1702 N ASP A 109 -10.335 -14.538 1.748 1.00 0.00 N ATOM 1703 CA ASP A 109 -11.790 -14.199 1.801 1.00 0.00 C ATOM 1704 C ASP A 109 -12.201 -13.702 3.192 1.00 0.00 C ATOM 1705 O ASP A 109 -12.751 -14.442 3.984 1.00 0.00 O ATOM 1706 CB ASP A 109 -12.508 -15.509 1.480 1.00 0.00 C ATOM 1707 CG ASP A 109 -13.751 -15.219 0.636 1.00 0.00 C ATOM 1708 OD1 ASP A 109 -14.173 -14.074 0.614 1.00 0.00 O ATOM 1709 OD2 ASP A 109 -14.260 -16.145 0.027 1.00 0.00 O ATOM 0 H ASP A 109 -10.119 -15.533 1.808 1.00 0.00 H new ATOM 0 HA ASP A 109 -12.038 -13.398 1.104 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.839 -16.180 0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.792 -16.015 2.402 1.00 0.00 H new ATOM 1714 N ILE A 110 -11.964 -12.452 3.493 1.00 0.00 N ATOM 1715 CA ILE A 110 -12.372 -11.922 4.829 1.00 0.00 C ATOM 1716 C ILE A 110 -13.637 -11.074 4.678 1.00 0.00 C ATOM 1717 O ILE A 110 -13.925 -10.217 5.490 1.00 0.00 O ATOM 1718 CB ILE A 110 -11.205 -11.057 5.319 1.00 0.00 C ATOM 1719 CG1 ILE A 110 -10.908 -9.975 4.279 1.00 0.00 C ATOM 1720 CG2 ILE A 110 -9.958 -11.923 5.537 1.00 0.00 C ATOM 1721 CD1 ILE A 110 -10.113 -8.845 4.934 1.00 0.00 C ATOM 0 H ILE A 110 -11.509 -11.779 2.877 1.00 0.00 H new ATOM 0 HA ILE A 110 -12.590 -12.723 5.535 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.477 -10.591 6.266 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -10.343 -10.398 3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.839 -9.587 3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.136 -11.297 5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -10.172 -12.688 6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.678 -12.400 4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -9.901 -8.073 4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.695 -8.416 5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.176 -9.239 5.326 1.00 0.00 H new ATOM 1733 N GLY A 111 -14.392 -11.305 3.636 1.00 0.00 N ATOM 1734 CA GLY A 111 -15.635 -10.511 3.422 1.00 0.00 C ATOM 1735 C GLY A 111 -15.265 -9.125 2.889 1.00 0.00 C ATOM 1736 O GLY A 111 -16.097 -8.246 2.783 1.00 0.00 O ATOM 0 H GLY A 111 -14.200 -12.010 2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -16.289 -11.022 2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -16.186 -10.418 4.358 1.00 0.00 H new ATOM 1740 N GLU A 112 -14.018 -8.924 2.561 1.00 0.00 N ATOM 1741 CA GLU A 112 -13.581 -7.593 2.042 1.00 0.00 C ATOM 1742 C GLU A 112 -14.386 -7.196 0.799 1.00 0.00 C ATOM 1743 O GLU A 112 -15.079 -7.998 0.206 1.00 0.00 O ATOM 1744 CB GLU A 112 -12.111 -7.778 1.679 1.00 0.00 C ATOM 1745 CG GLU A 112 -11.991 -8.919 0.675 1.00 0.00 C ATOM 1746 CD GLU A 112 -11.743 -8.348 -0.723 1.00 0.00 C ATOM 1747 OE1 GLU A 112 -12.544 -7.539 -1.160 1.00 0.00 O ATOM 1748 OE2 GLU A 112 -10.759 -8.732 -1.333 1.00 0.00 O ATOM 0 H GLU A 112 -13.280 -9.625 2.630 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.734 -6.803 2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.709 -6.858 1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.527 -7.999 2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -11.173 -9.582 0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.902 -9.517 0.678 1.00 0.00 H new ATOM 1755 N ASN A 113 -14.285 -5.955 0.401 1.00 0.00 N ATOM 1756 CA ASN A 113 -15.024 -5.478 -0.806 1.00 0.00 C ATOM 1757 C ASN A 113 -14.124 -4.559 -1.626 1.00 0.00 C ATOM 1758 O ASN A 113 -14.186 -3.361 -1.511 1.00 0.00 O ATOM 1759 CB ASN A 113 -16.226 -4.713 -0.254 1.00 0.00 C ATOM 1760 CG ASN A 113 -16.957 -5.583 0.770 1.00 0.00 C ATOM 1761 OD1 ASN A 113 -17.041 -6.785 0.613 1.00 0.00 O ATOM 1762 ND2 ASN A 113 -17.493 -5.024 1.820 1.00 0.00 N ATOM 0 H ASN A 113 -13.717 -5.245 0.864 1.00 0.00 H new ATOM 0 HA ASN A 113 -15.334 -6.292 -1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.897 -3.784 0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -16.902 -4.442 -1.065 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.982 -5.596 2.508 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -17.423 -4.015 1.952 1.00 0.00 H new ATOM 1769 N ILE A 114 -13.276 -5.118 -2.442 1.00 0.00 N ATOM 1770 CA ILE A 114 -12.351 -4.272 -3.255 1.00 0.00 C ATOM 1771 C ILE A 114 -13.129 -3.288 -4.129 1.00 0.00 C ATOM 1772 O ILE A 114 -13.063 -2.092 -3.930 1.00 0.00 O ATOM 1773 CB ILE A 114 -11.561 -5.256 -4.123 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -11.059 -6.428 -3.267 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.365 -4.536 -4.746 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -10.617 -5.923 -1.891 1.00 0.00 C ATOM 0 H ILE A 114 -13.181 -6.124 -2.583 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.699 -3.670 -2.622 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.212 -5.640 -4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -11.849 -7.170 -3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -10.226 -6.923 -3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.801 -5.235 -5.364 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -10.719 -3.710 -5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.721 -4.150 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -10.263 -6.762 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.812 -5.198 -2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -11.461 -5.449 -1.389 1.00 0.00 H new ATOM 1788 N ASP A 115 -13.862 -3.772 -5.096 1.00 0.00 N ATOM 1789 CA ASP A 115 -14.634 -2.841 -5.970 1.00 0.00 C ATOM 1790 C ASP A 115 -15.298 -1.771 -5.114 1.00 0.00 C ATOM 1791 O ASP A 115 -15.549 -0.665 -5.549 1.00 0.00 O ATOM 1792 CB ASP A 115 -15.684 -3.710 -6.661 1.00 0.00 C ATOM 1793 CG ASP A 115 -15.728 -3.373 -8.153 1.00 0.00 C ATOM 1794 OD1 ASP A 115 -15.222 -2.325 -8.519 1.00 0.00 O ATOM 1795 OD2 ASP A 115 -16.267 -4.170 -8.903 1.00 0.00 O ATOM 0 H ASP A 115 -13.960 -4.763 -5.318 1.00 0.00 H new ATOM 0 HA ASP A 115 -14.002 -2.330 -6.696 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -15.446 -4.765 -6.523 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -16.663 -3.543 -6.211 1.00 0.00 H new ATOM 1800 N VAL A 116 -15.573 -2.106 -3.896 1.00 0.00 N ATOM 1801 CA VAL A 116 -16.218 -1.138 -2.969 1.00 0.00 C ATOM 1802 C VAL A 116 -15.169 -0.347 -2.201 1.00 0.00 C ATOM 1803 O VAL A 116 -15.178 0.867 -2.172 1.00 0.00 O ATOM 1804 CB VAL A 116 -17.035 -2.003 -2.014 1.00 0.00 C ATOM 1805 CG1 VAL A 116 -17.744 -1.109 -0.995 1.00 0.00 C ATOM 1806 CG2 VAL A 116 -18.076 -2.797 -2.806 1.00 0.00 C ATOM 0 H VAL A 116 -15.378 -3.022 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.831 -0.409 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.371 -2.693 -1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.328 -1.727 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -17.003 -0.544 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -18.407 -0.418 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.659 -3.415 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.739 -2.108 -3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.572 -3.435 -3.532 1.00 0.00 H new ATOM 1816 N PHE A 117 -14.270 -1.035 -1.580 1.00 0.00 N ATOM 1817 CA PHE A 117 -13.206 -0.342 -0.799 1.00 0.00 C ATOM 1818 C PHE A 117 -12.393 0.556 -1.729 1.00 0.00 C ATOM 1819 O PHE A 117 -11.826 1.550 -1.317 1.00 0.00 O ATOM 1820 CB PHE A 117 -12.331 -1.459 -0.228 1.00 0.00 C ATOM 1821 CG PHE A 117 -11.930 -1.113 1.186 1.00 0.00 C ATOM 1822 CD1 PHE A 117 -12.899 -1.055 2.196 1.00 0.00 C ATOM 1823 CD2 PHE A 117 -10.589 -0.849 1.488 1.00 0.00 C ATOM 1824 CE1 PHE A 117 -12.525 -0.735 3.506 1.00 0.00 C ATOM 1825 CE2 PHE A 117 -10.215 -0.527 2.798 1.00 0.00 C ATOM 1826 CZ PHE A 117 -11.184 -0.471 3.808 1.00 0.00 C ATOM 0 H PHE A 117 -14.218 -2.054 -1.574 1.00 0.00 H new ATOM 0 HA PHE A 117 -13.612 0.290 -0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.874 -2.404 -0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.443 -1.592 -0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -13.934 -1.257 1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -9.842 -0.894 0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -13.272 -0.692 4.285 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.180 -0.322 3.030 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.896 -0.224 4.819 1.00 0.00 H new ATOM 1836 N SER A 118 -12.351 0.224 -2.988 1.00 0.00 N ATOM 1837 CA SER A 118 -11.598 1.051 -3.947 1.00 0.00 C ATOM 1838 C SER A 118 -12.525 2.096 -4.522 1.00 0.00 C ATOM 1839 O SER A 118 -12.151 3.227 -4.714 1.00 0.00 O ATOM 1840 CB SER A 118 -11.129 0.080 -5.028 1.00 0.00 C ATOM 1841 OG SER A 118 -11.135 0.738 -6.288 1.00 0.00 O ATOM 0 H SER A 118 -12.812 -0.593 -3.389 1.00 0.00 H new ATOM 0 HA SER A 118 -10.754 1.573 -3.495 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.126 -0.281 -4.798 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.782 -0.792 -5.058 1.00 0.00 H new ATOM 0 HG SER A 118 -10.714 0.162 -6.960 1.00 0.00 H new ATOM 1847 N ASP A 119 -13.741 1.720 -4.764 1.00 0.00 N ATOM 1848 CA ASP A 119 -14.729 2.688 -5.311 1.00 0.00 C ATOM 1849 C ASP A 119 -15.009 3.739 -4.260 1.00 0.00 C ATOM 1850 O ASP A 119 -15.198 4.901 -4.548 1.00 0.00 O ATOM 1851 CB ASP A 119 -15.984 1.869 -5.616 1.00 0.00 C ATOM 1852 CG ASP A 119 -17.138 2.813 -5.962 1.00 0.00 C ATOM 1853 OD1 ASP A 119 -16.998 3.567 -6.910 1.00 0.00 O ATOM 1854 OD2 ASP A 119 -18.143 2.764 -5.272 1.00 0.00 O ATOM 0 H ASP A 119 -14.100 0.778 -4.607 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.375 3.198 -6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -15.795 1.189 -6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.248 1.255 -4.755 1.00 0.00 H new ATOM 1859 N THR A 120 -14.994 3.325 -3.038 1.00 0.00 N ATOM 1860 CA THR A 120 -15.216 4.267 -1.917 1.00 0.00 C ATOM 1861 C THR A 120 -14.067 5.261 -1.913 1.00 0.00 C ATOM 1862 O THR A 120 -14.243 6.460 -1.824 1.00 0.00 O ATOM 1863 CB THR A 120 -15.206 3.372 -0.670 1.00 0.00 C ATOM 1864 OG1 THR A 120 -16.541 3.015 -0.337 1.00 0.00 O ATOM 1865 CG2 THR A 120 -14.565 4.097 0.512 1.00 0.00 C ATOM 0 H THR A 120 -14.835 2.357 -2.759 1.00 0.00 H new ATOM 0 HA THR A 120 -16.141 4.840 -1.976 1.00 0.00 H new ATOM 0 HB THR A 120 -14.622 2.477 -0.887 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.538 2.442 0.458 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.569 3.444 1.385 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.538 4.363 0.262 1.00 0.00 H new ATOM 0 HG23 THR A 120 -15.130 5.002 0.734 1.00 0.00 H new ATOM 1873 N ILE A 121 -12.894 4.742 -2.035 1.00 0.00 N ATOM 1874 CA ILE A 121 -11.684 5.597 -2.073 1.00 0.00 C ATOM 1875 C ILE A 121 -11.618 6.316 -3.428 1.00 0.00 C ATOM 1876 O ILE A 121 -11.317 7.490 -3.506 1.00 0.00 O ATOM 1877 CB ILE A 121 -10.530 4.601 -1.876 1.00 0.00 C ATOM 1878 CG1 ILE A 121 -9.853 4.878 -0.535 1.00 0.00 C ATOM 1879 CG2 ILE A 121 -9.495 4.709 -3.000 1.00 0.00 C ATOM 1880 CD1 ILE A 121 -9.253 6.285 -0.545 1.00 0.00 C ATOM 0 H ILE A 121 -12.713 3.741 -2.112 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.661 6.382 -1.317 1.00 0.00 H new ATOM 0 HB ILE A 121 -10.943 3.592 -1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -10.576 4.786 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -9.072 4.140 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.694 3.990 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -9.973 4.497 -3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.080 5.717 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -8.770 6.482 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -8.517 6.361 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.044 7.017 -0.709 1.00 0.00 H new ATOM 1892 N LYS A 122 -11.918 5.619 -4.491 1.00 0.00 N ATOM 1893 CA LYS A 122 -11.896 6.258 -5.828 1.00 0.00 C ATOM 1894 C LYS A 122 -13.002 7.299 -5.880 1.00 0.00 C ATOM 1895 O LYS A 122 -12.871 8.341 -6.491 1.00 0.00 O ATOM 1896 CB LYS A 122 -12.158 5.120 -6.813 1.00 0.00 C ATOM 1897 CG LYS A 122 -10.835 4.732 -7.467 1.00 0.00 C ATOM 1898 CD LYS A 122 -10.502 3.274 -7.151 1.00 0.00 C ATOM 1899 CE LYS A 122 -9.209 3.214 -6.331 1.00 0.00 C ATOM 1900 NZ LYS A 122 -8.748 1.802 -6.449 1.00 0.00 N ATOM 0 H LYS A 122 -12.177 4.633 -4.486 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.957 6.762 -6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.591 4.263 -6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.878 5.432 -7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -10.898 4.873 -8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -10.038 5.382 -7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -11.320 2.815 -6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -10.386 2.707 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.463 3.907 -6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -9.387 3.486 -5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.990 1.626 -5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -9.544 1.160 -6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -8.388 1.634 -7.410 1.00 0.00 H new ATOM 1914 N SER A 123 -14.080 7.031 -5.205 1.00 0.00 N ATOM 1915 CA SER A 123 -15.193 8.008 -5.166 1.00 0.00 C ATOM 1916 C SER A 123 -14.867 9.084 -4.140 1.00 0.00 C ATOM 1917 O SER A 123 -15.508 10.113 -4.066 1.00 0.00 O ATOM 1918 CB SER A 123 -16.408 7.211 -4.723 1.00 0.00 C ATOM 1919 OG SER A 123 -16.853 6.390 -5.795 1.00 0.00 O ATOM 0 H SER A 123 -14.237 6.173 -4.677 1.00 0.00 H new ATOM 0 HA SER A 123 -15.362 8.496 -6.126 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.157 6.595 -3.859 1.00 0.00 H new ATOM 0 HB3 SER A 123 -17.206 7.886 -4.412 1.00 0.00 H new ATOM 0 HG SER A 123 -16.420 5.513 -5.737 1.00 0.00 H new ATOM 1925 N PHE A 124 -13.859 8.845 -3.353 1.00 0.00 N ATOM 1926 CA PHE A 124 -13.457 9.847 -2.328 1.00 0.00 C ATOM 1927 C PHE A 124 -12.750 11.019 -3.002 1.00 0.00 C ATOM 1928 O PHE A 124 -12.353 11.974 -2.365 1.00 0.00 O ATOM 1929 CB PHE A 124 -12.496 9.101 -1.407 1.00 0.00 C ATOM 1930 CG PHE A 124 -12.850 9.387 0.032 1.00 0.00 C ATOM 1931 CD1 PHE A 124 -12.560 10.638 0.589 1.00 0.00 C ATOM 1932 CD2 PHE A 124 -13.466 8.399 0.810 1.00 0.00 C ATOM 1933 CE1 PHE A 124 -12.888 10.903 1.924 1.00 0.00 C ATOM 1934 CE2 PHE A 124 -13.794 8.664 2.146 1.00 0.00 C ATOM 1935 CZ PHE A 124 -13.504 9.915 2.703 1.00 0.00 C ATOM 0 H PHE A 124 -13.293 7.996 -3.374 1.00 0.00 H new ATOM 0 HA PHE A 124 -14.309 10.254 -1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -12.550 8.029 -1.599 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -11.470 9.410 -1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -12.083 11.399 -0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -13.688 7.433 0.380 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -12.666 11.869 2.353 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -14.271 7.903 2.746 1.00 0.00 H new ATOM 0 HZ PHE A 124 -13.755 10.119 3.733 1.00 0.00 H new ATOM 1945 N ALA A 125 -12.592 10.945 -4.290 1.00 0.00 N ATOM 1946 CA ALA A 125 -11.909 12.045 -5.028 1.00 0.00 C ATOM 1947 C ALA A 125 -12.867 12.676 -6.043 1.00 0.00 C ATOM 1948 O ALA A 125 -12.452 13.310 -6.992 1.00 0.00 O ATOM 1949 CB ALA A 125 -10.737 11.372 -5.742 1.00 0.00 C ATOM 0 H ALA A 125 -12.907 10.167 -4.869 1.00 0.00 H new ATOM 0 HA ALA A 125 -11.578 12.845 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -10.181 12.117 -6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -10.078 10.912 -5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -11.115 10.607 -6.420 1.00 0.00 H new ATOM 1955 N SER A 126 -14.147 12.507 -5.848 1.00 0.00 N ATOM 1956 CA SER A 126 -15.129 13.099 -6.801 1.00 0.00 C ATOM 1957 C SER A 126 -16.242 13.822 -6.037 1.00 0.00 C ATOM 1958 O SER A 126 -16.712 14.866 -6.444 1.00 0.00 O ATOM 1959 CB SER A 126 -15.695 11.910 -7.576 1.00 0.00 C ATOM 1960 OG SER A 126 -16.900 12.300 -8.220 1.00 0.00 O ATOM 0 H SER A 126 -14.554 11.986 -5.072 1.00 0.00 H new ATOM 0 HA SER A 126 -14.670 13.835 -7.461 1.00 0.00 H new ATOM 0 HB2 SER A 126 -14.971 11.564 -8.313 1.00 0.00 H new ATOM 0 HB3 SER A 126 -15.884 11.077 -6.899 1.00 0.00 H new ATOM 0 HG SER A 126 -17.265 11.540 -8.719 1.00 0.00 H new ATOM 1966 N SER A 127 -16.668 13.274 -4.931 1.00 0.00 N ATOM 1967 CA SER A 127 -17.751 13.930 -4.143 1.00 0.00 C ATOM 1968 C SER A 127 -17.149 14.831 -3.062 1.00 0.00 C ATOM 1969 O SER A 127 -16.043 14.619 -2.608 1.00 0.00 O ATOM 1970 CB SER A 127 -18.530 12.779 -3.508 1.00 0.00 C ATOM 1971 OG SER A 127 -18.946 11.877 -4.524 1.00 0.00 O ATOM 0 H SER A 127 -16.313 12.401 -4.539 1.00 0.00 H new ATOM 0 HA SER A 127 -18.388 14.561 -4.763 1.00 0.00 H new ATOM 0 HB2 SER A 127 -17.907 12.261 -2.779 1.00 0.00 H new ATOM 0 HB3 SER A 127 -19.396 13.164 -2.970 1.00 0.00 H new ATOM 0 HG SER A 127 -19.445 11.136 -4.120 1.00 0.00 H new ATOM 1977 N GLY A 128 -17.872 15.835 -2.646 1.00 0.00 N ATOM 1978 CA GLY A 128 -17.343 16.749 -1.594 1.00 0.00 C ATOM 1979 C GLY A 128 -17.444 16.070 -0.227 1.00 0.00 C ATOM 1980 O GLY A 128 -16.478 15.541 0.285 1.00 0.00 O ATOM 0 H GLY A 128 -18.806 16.062 -2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -16.305 17.005 -1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -17.907 17.682 -1.591 1.00 0.00 H new ATOM 1984 N LYS A 129 -18.605 16.080 0.367 1.00 0.00 N ATOM 1985 CA LYS A 129 -18.763 15.435 1.703 1.00 0.00 C ATOM 1986 C LYS A 129 -17.916 16.171 2.744 1.00 0.00 C ATOM 1987 O LYS A 129 -17.834 17.383 2.746 1.00 0.00 O ATOM 1988 CB LYS A 129 -18.263 14.002 1.512 1.00 0.00 C ATOM 1989 CG LYS A 129 -18.987 13.072 2.489 1.00 0.00 C ATOM 1990 CD LYS A 129 -20.372 12.727 1.937 1.00 0.00 C ATOM 1991 CE LYS A 129 -20.280 11.465 1.075 1.00 0.00 C ATOM 1992 NZ LYS A 129 -21.612 11.354 0.417 1.00 0.00 N ATOM 0 H LYS A 129 -19.450 16.506 -0.013 1.00 0.00 H new ATOM 0 HA LYS A 129 -19.793 15.460 2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -18.440 13.678 0.486 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -17.187 13.956 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -18.407 12.162 2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -19.082 13.553 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -21.073 12.570 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -20.756 13.557 1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -19.481 11.547 0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -20.065 10.586 1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -21.629 10.512 -0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -22.352 11.271 1.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -21.786 12.202 -0.160 1.00 0.00 H new ATOM 2006 N GLU A 130 -17.284 15.450 3.631 1.00 0.00 N ATOM 2007 CA GLU A 130 -16.444 16.113 4.670 1.00 0.00 C ATOM 2008 C GLU A 130 -17.207 17.280 5.302 1.00 0.00 C ATOM 2009 O GLU A 130 -18.419 17.347 5.241 1.00 0.00 O ATOM 2010 CB GLU A 130 -15.213 16.622 3.919 1.00 0.00 C ATOM 2011 CG GLU A 130 -13.955 15.987 4.513 1.00 0.00 C ATOM 2012 CD GLU A 130 -13.161 17.047 5.279 1.00 0.00 C ATOM 2013 OE1 GLU A 130 -13.697 17.585 6.234 1.00 0.00 O ATOM 2014 OE2 GLU A 130 -12.030 17.302 4.899 1.00 0.00 O ATOM 0 H GLU A 130 -17.313 14.432 3.681 1.00 0.00 H new ATOM 0 HA GLU A 130 -16.176 15.434 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -15.292 16.376 2.860 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -15.154 17.708 3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -14.228 15.169 5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -13.341 15.560 3.720 1.00 0.00 H new ATOM 2021 N LYS A 131 -16.508 18.202 5.907 1.00 0.00 N ATOM 2022 CA LYS A 131 -17.197 19.365 6.540 1.00 0.00 C ATOM 2023 C LYS A 131 -16.395 20.647 6.304 1.00 0.00 C ATOM 2024 O LYS A 131 -15.200 20.613 6.086 1.00 0.00 O ATOM 2025 CB LYS A 131 -17.249 19.032 8.031 1.00 0.00 C ATOM 2026 CG LYS A 131 -18.707 18.860 8.465 1.00 0.00 C ATOM 2027 CD LYS A 131 -19.456 20.180 8.272 1.00 0.00 C ATOM 2028 CE LYS A 131 -20.486 20.352 9.391 1.00 0.00 C ATOM 2029 NZ LYS A 131 -19.689 20.718 10.597 1.00 0.00 N ATOM 0 H LYS A 131 -15.491 18.201 5.991 1.00 0.00 H new ATOM 0 HA LYS A 131 -18.191 19.531 6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -16.689 18.118 8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -16.778 19.827 8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -19.181 18.072 7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -18.753 18.553 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -18.753 21.013 8.279 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -19.953 20.190 7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -21.209 21.129 9.145 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -21.049 19.433 9.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -19.851 20.015 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -18.678 20.737 10.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -19.981 21.657 10.934 1.00 0.00 H new ATOM 2043 N LEU A 132 -17.043 21.779 6.347 1.00 0.00 N ATOM 2044 CA LEU A 132 -16.317 23.063 6.124 1.00 0.00 C ATOM 2045 C LEU A 132 -16.136 23.804 7.452 1.00 0.00 C ATOM 2046 O LEU A 132 -17.090 24.091 8.147 1.00 0.00 O ATOM 2047 CB LEU A 132 -17.213 23.866 5.180 1.00 0.00 C ATOM 2048 CG LEU A 132 -16.374 24.413 4.023 1.00 0.00 C ATOM 2049 CD1 LEU A 132 -16.332 23.384 2.892 1.00 0.00 C ATOM 2050 CD2 LEU A 132 -17.001 25.709 3.507 1.00 0.00 C ATOM 0 H LEU A 132 -18.043 21.871 6.527 1.00 0.00 H new ATOM 0 HA LEU A 132 -15.322 22.908 5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -18.014 23.234 4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -17.686 24.686 5.720 1.00 0.00 H new ATOM 0 HG LEU A 132 -15.361 24.612 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -15.734 23.773 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -15.886 22.459 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -17.345 23.185 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -16.404 26.099 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -18.014 25.509 3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -17.032 26.444 4.312 1.00 0.00 H new ATOM 2062 N GLU A 133 -14.920 24.114 7.809 1.00 0.00 N ATOM 2063 CA GLU A 133 -14.680 24.836 9.091 1.00 0.00 C ATOM 2064 C GLU A 133 -13.598 25.903 8.903 1.00 0.00 C ATOM 2065 O GLU A 133 -13.344 26.268 7.767 1.00 0.00 O ATOM 2066 CB GLU A 133 -14.208 23.759 10.069 1.00 0.00 C ATOM 2067 CG GLU A 133 -14.390 24.256 11.504 1.00 0.00 C ATOM 2068 CD GLU A 133 -15.813 23.946 11.975 1.00 0.00 C ATOM 2069 OE1 GLU A 133 -16.739 24.471 11.380 1.00 0.00 O ATOM 2070 OE2 GLU A 133 -15.950 23.192 12.924 1.00 0.00 O ATOM 0 H GLU A 133 -14.082 23.899 7.269 1.00 0.00 H new ATOM 0 HA GLU A 133 -15.572 25.349 9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -14.775 22.841 9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -13.160 23.521 9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -13.665 23.776 12.161 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -14.204 25.329 11.555 1.00 0.00 H new TER 2077 GLU A 133