USER MOD reduce.3.24.130724 H: found=0, std=0, add=1038, rem=0, adj=34 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 64 HIS : no HD1:sc= -0.624 K(o=-3.6,f=-4.9) USER MOD Set 1.2: A 68 ASN : amide:sc= -2.52 K(o=-3.6,f=-7.3!) USER MOD Set 1.3: A 122 LYS NZ :NH3+ 169:sc= -0.505 (180deg=-0.775) USER MOD Set 2.1: A 65 THR OG1 : rot -37:sc= -1.04! USER MOD Set 2.2: A 118 SER OG : rot 9:sc= -4.21! USER MOD Set 3.1: A 13 THR OG1 : rot 127:sc= 0.0308 USER MOD Set 3.2: A 50 MET CE :methyl -163:sc= -1.83 (180deg=-2.57!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.026 (180deg=-0.594) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -145:sc= -6.23! (180deg=-10.4!) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.046 USER MOD Single : A 18 GLN : amide:sc= -0.888 K(o=-0.89,f=-2.6!) USER MOD Single : A 19 ASN : amide:sc= -0.349 K(o=-0.35,f=-3.5!) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0658 F(o=-1.6,f=-0.066) USER MOD Single : A 23 THR OG1 : rot 108:sc= 1.25 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.198 F(o=-0.99,f=-0.2) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.078 X(o=-0.078,f=-0.078) USER MOD Single : A 45 HIS : no HE2:sc= -1.47 K(o=-1.5,f=-3.3!) 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 53 THR OG1 : rot 29:sc= 1.02 USER MOD Single : A 54 MET CE :methyl 180:sc= -4.61! (180deg=-4.61!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0541 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 142:sc= -10.5! (180deg=-12.1!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 150:sc= -1.54 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.604 K(o=0.6,f=-0.92) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -179:sc= -4.79! (180deg=-4.82!) USER MOD Single : A 81 THR OG1 : rot -173:sc= -1.99! USER MOD Single : A 82 SER OG : rot 102:sc= -0.576! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl -176:sc= -0.181 (180deg=-0.248) USER MOD Single : A 96 THR OG1 : rot 98:sc= 1.18 USER MOD Single : A 98 MET CE :methyl -139:sc= -9.29! (180deg=-18.7!) USER MOD Single : A 101 LYS NZ :NH3+ -123:sc= -0.337! (180deg=-4.92!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 142:sc= 0.845 USER MOD Single : A 113 ASN :FLIP amide:sc= -1.18 F(o=-1.7,f=-1.2) USER MOD Single : A 120 THR OG1 : rot 97:sc= 0.142 USER MOD Single : A 123 SER OG : rot 94:sc= 0.277 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot -41:sc= 0.311 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.620 -27.370 -5.791 1.00 0.00 N ATOM 2 CA MET A 1 5.656 -26.768 -4.899 1.00 0.00 C ATOM 3 C MET A 1 5.463 -27.257 -3.461 1.00 0.00 C ATOM 4 O MET A 1 4.528 -27.973 -3.159 1.00 0.00 O ATOM 5 CB MET A 1 5.429 -25.257 -4.987 1.00 0.00 C ATOM 6 CG MET A 1 4.175 -24.880 -4.195 1.00 0.00 C ATOM 7 SD MET A 1 3.758 -23.148 -4.512 1.00 0.00 S ATOM 8 CE MET A 1 1.960 -23.355 -4.530 1.00 0.00 C ATOM 0 H1 MET A 1 5.085 -27.928 -6.536 1.00 0.00 H new ATOM 0 H2 MET A 1 3.998 -27.988 -5.232 1.00 0.00 H new ATOM 0 H3 MET A 1 4.055 -26.613 -6.227 1.00 0.00 H new ATOM 0 HA MET A 1 6.667 -27.045 -5.196 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.295 -24.725 -4.592 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.318 -24.956 -6.029 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.344 -25.524 -4.482 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.345 -25.035 -3.130 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.485 -22.391 -4.714 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.682 -24.053 -5.320 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.629 -23.745 -3.568 1.00 0.00 H new ATOM 20 N MET A 2 6.336 -26.872 -2.571 1.00 0.00 N ATOM 21 CA MET A 2 6.195 -27.311 -1.153 1.00 0.00 C ATOM 22 C MET A 2 5.498 -26.218 -0.335 1.00 0.00 C ATOM 23 O MET A 2 4.586 -25.567 -0.803 1.00 0.00 O ATOM 24 CB MET A 2 7.626 -27.531 -0.656 1.00 0.00 C ATOM 25 CG MET A 2 8.324 -28.566 -1.541 1.00 0.00 C ATOM 26 SD MET A 2 8.598 -30.084 -0.594 1.00 0.00 S ATOM 27 CE MET A 2 10.401 -29.972 -0.496 1.00 0.00 C ATOM 0 H MET A 2 7.139 -26.274 -2.763 1.00 0.00 H new ATOM 0 HA MET A 2 5.594 -28.215 -1.056 1.00 0.00 H new ATOM 0 HB2 MET A 2 8.177 -26.591 -0.675 1.00 0.00 H new ATOM 0 HB3 MET A 2 7.614 -27.872 0.379 1.00 0.00 H new ATOM 0 HG2 MET A 2 7.715 -28.778 -2.420 1.00 0.00 H new ATOM 0 HG3 MET A 2 9.275 -28.172 -1.899 1.00 0.00 H new ATOM 0 HE1 MET A 2 10.789 -30.826 0.059 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.821 -29.971 -1.502 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.681 -29.051 0.015 1.00 0.00 H new ATOM 37 N GLU A 3 5.919 -26.010 0.883 1.00 0.00 N ATOM 38 CA GLU A 3 5.274 -24.957 1.722 1.00 0.00 C ATOM 39 C GLU A 3 6.267 -23.859 2.056 1.00 0.00 C ATOM 40 O GLU A 3 5.918 -22.829 2.598 1.00 0.00 O ATOM 41 CB GLU A 3 4.864 -25.661 3.008 1.00 0.00 C ATOM 42 CG GLU A 3 6.092 -26.333 3.624 1.00 0.00 C ATOM 43 CD GLU A 3 5.775 -26.762 5.058 1.00 0.00 C ATOM 44 OE1 GLU A 3 5.843 -25.918 5.936 1.00 0.00 O ATOM 45 OE2 GLU A 3 5.468 -27.927 5.252 1.00 0.00 O ATOM 0 H GLU A 3 6.679 -26.521 1.333 1.00 0.00 H new ATOM 0 HA GLU A 3 4.432 -24.499 1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.436 -24.944 3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.093 -26.403 2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.382 -27.200 3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.937 -25.645 3.618 1.00 0.00 H new ATOM 52 N GLU A 4 7.506 -24.077 1.762 1.00 0.00 N ATOM 53 CA GLU A 4 8.522 -23.050 2.096 1.00 0.00 C ATOM 54 C GLU A 4 8.473 -21.902 1.092 1.00 0.00 C ATOM 55 O GLU A 4 9.051 -20.852 1.297 1.00 0.00 O ATOM 56 CB GLU A 4 9.867 -23.770 2.038 1.00 0.00 C ATOM 57 CG GLU A 4 10.928 -22.911 2.728 1.00 0.00 C ATOM 58 CD GLU A 4 12.198 -23.737 2.942 1.00 0.00 C ATOM 59 OE1 GLU A 4 12.684 -24.301 1.976 1.00 0.00 O ATOM 60 OE2 GLU A 4 12.663 -23.791 4.070 1.00 0.00 O ATOM 0 H GLU A 4 7.863 -24.917 1.307 1.00 0.00 H new ATOM 0 HA GLU A 4 8.347 -22.611 3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.794 -24.741 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.149 -23.955 1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.151 -22.033 2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.552 -22.550 3.685 1.00 0.00 H new ATOM 67 N TYR A 5 7.780 -22.095 0.012 1.00 0.00 N ATOM 68 CA TYR A 5 7.680 -21.015 -1.011 1.00 0.00 C ATOM 69 C TYR A 5 6.808 -19.888 -0.480 1.00 0.00 C ATOM 70 O TYR A 5 6.924 -18.744 -0.873 1.00 0.00 O ATOM 71 CB TYR A 5 7.032 -21.672 -2.228 1.00 0.00 C ATOM 72 CG TYR A 5 7.461 -20.949 -3.482 1.00 0.00 C ATOM 73 CD1 TYR A 5 8.702 -21.232 -4.063 1.00 0.00 C ATOM 74 CD2 TYR A 5 6.617 -19.996 -4.066 1.00 0.00 C ATOM 75 CE1 TYR A 5 9.099 -20.564 -5.228 1.00 0.00 C ATOM 76 CE2 TYR A 5 7.015 -19.328 -5.230 1.00 0.00 C ATOM 77 CZ TYR A 5 8.256 -19.611 -5.810 1.00 0.00 C ATOM 78 OH TYR A 5 8.647 -18.953 -6.959 1.00 0.00 O ATOM 0 H TYR A 5 7.276 -22.953 -0.211 1.00 0.00 H new ATOM 0 HA TYR A 5 8.650 -20.584 -1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.321 -22.722 -2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.946 -21.645 -2.134 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.354 -21.966 -3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.659 -19.776 -3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 5 10.056 -20.784 -5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.364 -18.594 -5.680 1.00 0.00 H new ATOM 0 HH TYR A 5 7.945 -18.326 -7.232 1.00 0.00 H new ATOM 88 N LEU A 6 5.945 -20.214 0.425 1.00 0.00 N ATOM 89 CA LEU A 6 5.051 -19.185 1.020 1.00 0.00 C ATOM 90 C LEU A 6 5.722 -18.583 2.253 1.00 0.00 C ATOM 91 O LEU A 6 5.704 -17.386 2.461 1.00 0.00 O ATOM 92 CB LEU A 6 3.782 -19.940 1.409 1.00 0.00 C ATOM 93 CG LEU A 6 3.337 -20.819 0.238 1.00 0.00 C ATOM 94 CD1 LEU A 6 3.448 -22.292 0.634 1.00 0.00 C ATOM 95 CD2 LEU A 6 1.885 -20.496 -0.119 1.00 0.00 C ATOM 0 H LEU A 6 5.814 -21.159 0.786 1.00 0.00 H new ATOM 0 HA LEU A 6 4.834 -18.365 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.966 -20.554 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.992 -19.236 1.671 1.00 0.00 H new ATOM 0 HG LEU A 6 3.976 -20.625 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.131 -22.918 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.482 -22.523 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.810 -22.486 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.568 -21.122 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.247 -20.689 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.805 -19.446 -0.402 1.00 0.00 H new ATOM 107 N GLY A 7 6.325 -19.406 3.066 1.00 0.00 N ATOM 108 CA GLY A 7 7.008 -18.880 4.281 1.00 0.00 C ATOM 109 C GLY A 7 7.860 -17.675 3.886 1.00 0.00 C ATOM 110 O GLY A 7 7.898 -16.675 4.577 1.00 0.00 O ATOM 0 H GLY A 7 6.374 -20.417 2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.273 -18.592 5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.633 -19.654 4.727 1.00 0.00 H new ATOM 114 N VAL A 8 8.541 -17.759 2.773 1.00 0.00 N ATOM 115 CA VAL A 8 9.385 -16.612 2.328 1.00 0.00 C ATOM 116 C VAL A 8 8.505 -15.521 1.741 1.00 0.00 C ATOM 117 O VAL A 8 8.616 -14.359 2.077 1.00 0.00 O ATOM 118 CB VAL A 8 10.321 -17.192 1.265 1.00 0.00 C ATOM 119 CG1 VAL A 8 10.938 -16.055 0.448 1.00 0.00 C ATOM 120 CG2 VAL A 8 11.436 -17.989 1.946 1.00 0.00 C ATOM 0 H VAL A 8 8.549 -18.570 2.155 1.00 0.00 H new ATOM 0 HA VAL A 8 9.944 -16.162 3.148 1.00 0.00 H new ATOM 0 HB VAL A 8 9.754 -17.848 0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.604 -16.470 -0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.146 -15.486 -0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.504 -15.398 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.103 -18.402 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.001 -17.332 2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.000 -18.801 2.527 1.00 0.00 H new ATOM 130 N PHE A 9 7.621 -15.896 0.879 1.00 0.00 N ATOM 131 CA PHE A 9 6.703 -14.897 0.266 1.00 0.00 C ATOM 132 C PHE A 9 5.928 -14.185 1.377 1.00 0.00 C ATOM 133 O PHE A 9 5.623 -13.013 1.289 1.00 0.00 O ATOM 134 CB PHE A 9 5.761 -15.713 -0.627 1.00 0.00 C ATOM 135 CG PHE A 9 4.468 -14.957 -0.843 1.00 0.00 C ATOM 136 CD1 PHE A 9 4.458 -13.789 -1.616 1.00 0.00 C ATOM 137 CD2 PHE A 9 3.282 -15.426 -0.269 1.00 0.00 C ATOM 138 CE1 PHE A 9 3.261 -13.091 -1.813 1.00 0.00 C ATOM 139 CE2 PHE A 9 2.084 -14.728 -0.466 1.00 0.00 C ATOM 140 CZ PHE A 9 2.074 -13.561 -1.239 1.00 0.00 C ATOM 0 H PHE A 9 7.487 -16.857 0.565 1.00 0.00 H new ATOM 0 HA PHE A 9 7.225 -14.133 -0.309 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.239 -15.914 -1.586 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.554 -16.679 -0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.374 -13.427 -2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.290 -16.327 0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.253 -12.190 -2.408 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.168 -15.090 -0.022 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.150 -13.023 -1.393 1.00 0.00 H new ATOM 150 N VAL A 10 5.614 -14.894 2.427 1.00 0.00 N ATOM 151 CA VAL A 10 4.864 -14.276 3.555 1.00 0.00 C ATOM 152 C VAL A 10 5.814 -13.414 4.395 1.00 0.00 C ATOM 153 O VAL A 10 5.470 -12.330 4.819 1.00 0.00 O ATOM 154 CB VAL A 10 4.319 -15.471 4.354 1.00 0.00 C ATOM 155 CG1 VAL A 10 4.230 -15.127 5.844 1.00 0.00 C ATOM 156 CG2 VAL A 10 2.924 -15.828 3.837 1.00 0.00 C ATOM 0 H VAL A 10 5.846 -15.879 2.552 1.00 0.00 H new ATOM 0 HA VAL A 10 4.059 -13.616 3.231 1.00 0.00 H new ATOM 0 HB VAL A 10 4.996 -16.316 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.842 -15.985 6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.222 -14.874 6.219 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.563 -14.276 5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.533 -16.675 4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.260 -14.972 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.984 -16.091 2.781 1.00 0.00 H new ATOM 166 N ASP A 11 7.012 -13.883 4.635 1.00 0.00 N ATOM 167 CA ASP A 11 7.971 -13.074 5.439 1.00 0.00 C ATOM 168 C ASP A 11 8.321 -11.801 4.681 1.00 0.00 C ATOM 169 O ASP A 11 8.735 -10.808 5.245 1.00 0.00 O ATOM 170 CB ASP A 11 9.205 -13.963 5.612 1.00 0.00 C ATOM 171 CG ASP A 11 9.786 -13.769 7.014 1.00 0.00 C ATOM 172 OD1 ASP A 11 9.329 -14.444 7.923 1.00 0.00 O ATOM 173 OD2 ASP A 11 10.679 -12.950 7.156 1.00 0.00 O ATOM 0 H ASP A 11 7.364 -14.784 4.311 1.00 0.00 H new ATOM 0 HA ASP A 11 7.561 -12.774 6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.936 -15.008 5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.953 -13.714 4.860 1.00 0.00 H new ATOM 178 N GLU A 12 8.142 -11.835 3.398 1.00 0.00 N ATOM 179 CA GLU A 12 8.445 -10.641 2.561 1.00 0.00 C ATOM 180 C GLU A 12 7.198 -9.763 2.424 1.00 0.00 C ATOM 181 O GLU A 12 7.275 -8.553 2.478 1.00 0.00 O ATOM 182 CB GLU A 12 8.859 -11.208 1.203 1.00 0.00 C ATOM 183 CG GLU A 12 10.235 -11.868 1.323 1.00 0.00 C ATOM 184 CD GLU A 12 11.218 -11.185 0.370 1.00 0.00 C ATOM 185 OE1 GLU A 12 11.643 -10.084 0.678 1.00 0.00 O ATOM 186 OE2 GLU A 12 11.529 -11.776 -0.652 1.00 0.00 O ATOM 0 H GLU A 12 7.795 -12.645 2.884 1.00 0.00 H new ATOM 0 HA GLU A 12 9.225 -10.015 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.123 -11.936 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.889 -10.412 0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.597 -11.794 2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.162 -12.930 1.087 1.00 0.00 H new ATOM 193 N THR A 13 6.051 -10.366 2.248 1.00 0.00 N ATOM 194 CA THR A 13 4.799 -9.564 2.108 1.00 0.00 C ATOM 195 C THR A 13 4.504 -8.819 3.417 1.00 0.00 C ATOM 196 O THR A 13 4.073 -7.683 3.413 1.00 0.00 O ATOM 197 CB THR A 13 3.706 -10.599 1.765 1.00 0.00 C ATOM 198 OG1 THR A 13 3.150 -10.284 0.496 1.00 0.00 O ATOM 199 CG2 THR A 13 2.586 -10.602 2.816 1.00 0.00 C ATOM 0 H THR A 13 5.927 -11.377 2.195 1.00 0.00 H new ATOM 0 HA THR A 13 4.865 -8.796 1.337 1.00 0.00 H new ATOM 0 HB THR A 13 4.164 -11.588 1.750 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.190 -11.073 -0.084 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.833 -11.342 2.544 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.003 -10.851 3.792 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.125 -9.615 2.860 1.00 0.00 H new ATOM 207 N LYS A 14 4.735 -9.452 4.534 1.00 0.00 N ATOM 208 CA LYS A 14 4.469 -8.782 5.839 1.00 0.00 C ATOM 209 C LYS A 14 5.558 -7.747 6.116 1.00 0.00 C ATOM 210 O LYS A 14 5.282 -6.634 6.517 1.00 0.00 O ATOM 211 CB LYS A 14 4.511 -9.897 6.884 1.00 0.00 C ATOM 212 CG LYS A 14 3.124 -10.522 7.019 1.00 0.00 C ATOM 213 CD LYS A 14 3.172 -11.959 6.506 1.00 0.00 C ATOM 214 CE LYS A 14 2.020 -12.762 7.114 1.00 0.00 C ATOM 215 NZ LYS A 14 1.426 -13.507 5.970 1.00 0.00 N ATOM 0 H LYS A 14 5.096 -10.404 4.600 1.00 0.00 H new ATOM 0 HA LYS A 14 3.512 -8.260 5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.237 -10.656 6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.836 -9.498 7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.804 -10.505 8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.394 -9.944 6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.101 -11.970 5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.126 -12.417 6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.378 -13.443 7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.286 -12.107 7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.397 -13.581 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.627 -13.001 5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.838 -14.461 5.925 1.00 0.00 H new ATOM 229 N GLU A 15 6.795 -8.100 5.893 1.00 0.00 N ATOM 230 CA GLU A 15 7.893 -7.125 6.133 1.00 0.00 C ATOM 231 C GLU A 15 7.752 -5.949 5.169 1.00 0.00 C ATOM 232 O GLU A 15 8.390 -4.925 5.314 1.00 0.00 O ATOM 233 CB GLU A 15 9.188 -7.894 5.867 1.00 0.00 C ATOM 234 CG GLU A 15 9.376 -8.963 6.944 1.00 0.00 C ATOM 235 CD GLU A 15 9.730 -8.290 8.272 1.00 0.00 C ATOM 236 OE1 GLU A 15 8.835 -7.736 8.889 1.00 0.00 O ATOM 237 OE2 GLU A 15 10.889 -8.342 8.649 1.00 0.00 O ATOM 0 H GLU A 15 7.090 -9.017 5.557 1.00 0.00 H new ATOM 0 HA GLU A 15 7.876 -6.719 7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.152 -8.358 4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.036 -7.210 5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.464 -9.550 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.167 -9.654 6.652 1.00 0.00 H new ATOM 244 N TYR A 16 6.910 -6.097 4.192 1.00 0.00 N ATOM 245 CA TYR A 16 6.693 -5.008 3.203 1.00 0.00 C ATOM 246 C TYR A 16 5.560 -4.100 3.668 1.00 0.00 C ATOM 247 O TYR A 16 5.662 -2.895 3.614 1.00 0.00 O ATOM 248 CB TYR A 16 6.310 -5.716 1.905 1.00 0.00 C ATOM 249 CG TYR A 16 7.334 -5.419 0.837 1.00 0.00 C ATOM 250 CD1 TYR A 16 7.521 -4.105 0.392 1.00 0.00 C ATOM 251 CD2 TYR A 16 8.094 -6.459 0.289 1.00 0.00 C ATOM 252 CE1 TYR A 16 8.468 -3.830 -0.601 1.00 0.00 C ATOM 253 CE2 TYR A 16 9.041 -6.184 -0.706 1.00 0.00 C ATOM 254 CZ TYR A 16 9.228 -4.871 -1.150 1.00 0.00 C ATOM 255 OH TYR A 16 10.159 -4.601 -2.131 1.00 0.00 O ATOM 0 H TYR A 16 6.354 -6.937 4.033 1.00 0.00 H new ATOM 0 HA TYR A 16 7.577 -4.382 3.078 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.247 -6.791 2.072 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.324 -5.386 1.578 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.934 -3.303 0.815 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.950 -7.473 0.633 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.613 -2.816 -0.944 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.627 -6.986 -1.130 1.00 0.00 H new ATOM 0 HH TYR A 16 10.600 -5.433 -2.402 1.00 0.00 H new ATOM 265 N LEU A 17 4.477 -4.664 4.130 1.00 0.00 N ATOM 266 CA LEU A 17 3.352 -3.812 4.601 1.00 0.00 C ATOM 267 C LEU A 17 3.845 -2.931 5.744 1.00 0.00 C ATOM 268 O LEU A 17 3.467 -1.783 5.869 1.00 0.00 O ATOM 269 CB LEU A 17 2.276 -4.786 5.083 1.00 0.00 C ATOM 270 CG LEU A 17 1.778 -5.622 3.904 1.00 0.00 C ATOM 271 CD1 LEU A 17 0.720 -6.616 4.392 1.00 0.00 C ATOM 272 CD2 LEU A 17 1.163 -4.699 2.850 1.00 0.00 C ATOM 0 H LEU A 17 4.324 -5.670 4.201 1.00 0.00 H new ATOM 0 HA LEU A 17 2.961 -3.155 3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.681 -5.437 5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.447 -4.237 5.529 1.00 0.00 H new ATOM 0 HG LEU A 17 2.614 -6.168 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.365 -7.212 3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.157 -7.273 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.117 -6.071 4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.807 -5.294 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.327 -4.153 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.916 -3.992 2.502 1.00 0.00 H new ATOM 284 N GLN A 18 4.713 -3.455 6.561 1.00 0.00 N ATOM 285 CA GLN A 18 5.264 -2.645 7.675 1.00 0.00 C ATOM 286 C GLN A 18 6.223 -1.633 7.088 1.00 0.00 C ATOM 287 O GLN A 18 6.174 -0.454 7.378 1.00 0.00 O ATOM 288 CB GLN A 18 5.955 -3.666 8.577 1.00 0.00 C ATOM 289 CG GLN A 18 7.437 -3.330 8.777 1.00 0.00 C ATOM 290 CD GLN A 18 8.026 -4.243 9.855 1.00 0.00 C ATOM 291 OE1 GLN A 18 8.260 -5.411 9.618 1.00 0.00 O ATOM 292 NE2 GLN A 18 8.276 -3.755 11.040 1.00 0.00 N ATOM 0 H GLN A 18 5.064 -4.411 6.504 1.00 0.00 H new ATOM 0 HA GLN A 18 4.524 -2.081 8.243 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.454 -3.695 9.545 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.862 -4.660 8.140 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.980 -3.458 7.840 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.548 -2.286 9.069 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.080 -2.774 11.239 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.668 -4.355 11.766 1.00 0.00 H new ATOM 301 N ASN A 19 7.055 -2.087 6.215 1.00 0.00 N ATOM 302 CA ASN A 19 7.984 -1.158 5.537 1.00 0.00 C ATOM 303 C ASN A 19 7.131 -0.208 4.715 1.00 0.00 C ATOM 304 O ASN A 19 7.509 0.906 4.409 1.00 0.00 O ATOM 305 CB ASN A 19 8.861 -2.037 4.644 1.00 0.00 C ATOM 306 CG ASN A 19 10.216 -2.255 5.318 1.00 0.00 C ATOM 307 OD1 ASN A 19 10.567 -1.554 6.246 1.00 0.00 O ATOM 308 ND2 ASN A 19 11.000 -3.205 4.886 1.00 0.00 N ATOM 0 H ASN A 19 7.135 -3.065 5.937 1.00 0.00 H new ATOM 0 HA ASN A 19 8.609 -0.573 6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.373 -2.995 4.466 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.998 -1.564 3.672 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.907 -3.358 5.328 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.706 -3.794 4.107 1.00 0.00 H new ATOM 315 N LEU A 20 5.954 -0.655 4.393 1.00 0.00 N ATOM 316 CA LEU A 20 5.011 0.187 3.622 1.00 0.00 C ATOM 317 C LEU A 20 4.144 0.969 4.596 1.00 0.00 C ATOM 318 O LEU A 20 3.493 1.929 4.236 1.00 0.00 O ATOM 319 CB LEU A 20 4.175 -0.793 2.796 1.00 0.00 C ATOM 320 CG LEU A 20 2.862 -0.127 2.377 1.00 0.00 C ATOM 321 CD1 LEU A 20 3.156 1.003 1.393 1.00 0.00 C ATOM 322 CD2 LEU A 20 1.957 -1.165 1.712 1.00 0.00 C ATOM 0 H LEU A 20 5.602 -1.581 4.636 1.00 0.00 H new ATOM 0 HA LEU A 20 5.510 0.909 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.732 -1.107 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.969 -1.691 3.379 1.00 0.00 H new ATOM 0 HG LEU A 20 2.362 0.281 3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.221 1.478 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.802 1.741 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.655 0.598 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.021 -0.693 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.456 -1.572 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.748 -1.970 2.416 1.00 0.00 H new ATOM 334 N ASN A 21 4.174 0.595 5.841 1.00 0.00 N ATOM 335 CA ASN A 21 3.404 1.344 6.843 1.00 0.00 C ATOM 336 C ASN A 21 4.344 2.374 7.390 1.00 0.00 C ATOM 337 O ASN A 21 3.973 3.461 7.764 1.00 0.00 O ATOM 338 CB ASN A 21 3.012 0.337 7.916 1.00 0.00 C ATOM 339 CG ASN A 21 1.595 -0.170 7.650 1.00 0.00 C ATOM 340 OD1 ASN A 21 1.153 -0.222 6.424 1.00 0.00 O flip ATOM 341 ND2 ASN A 21 0.882 -0.525 8.569 1.00 0.00 N flip ATOM 0 H ASN A 21 4.702 -0.200 6.200 1.00 0.00 H new ATOM 0 HA ASN A 21 2.508 1.828 6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.713 -0.498 7.919 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.064 0.801 8.901 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.228 -0.484 9.528 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.062 -0.863 8.381 1.00 0.00 H new ATOM 348 N ASP A 22 5.589 2.028 7.404 1.00 0.00 N ATOM 349 CA ASP A 22 6.593 2.977 7.894 1.00 0.00 C ATOM 350 C ASP A 22 6.663 4.116 6.900 1.00 0.00 C ATOM 351 O ASP A 22 6.879 5.264 7.232 1.00 0.00 O ATOM 352 CB ASP A 22 7.911 2.205 7.963 1.00 0.00 C ATOM 353 CG ASP A 22 7.960 1.389 9.255 1.00 0.00 C ATOM 354 OD1 ASP A 22 6.926 0.869 9.643 1.00 0.00 O ATOM 355 OD2 ASP A 22 9.030 1.296 9.835 1.00 0.00 O ATOM 0 H ASP A 22 5.951 1.126 7.096 1.00 0.00 H new ATOM 0 HA ASP A 22 6.361 3.392 8.875 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.003 1.545 7.100 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.752 2.897 7.926 1.00 0.00 H new ATOM 360 N THR A 23 6.434 3.777 5.676 1.00 0.00 N ATOM 361 CA THR A 23 6.422 4.786 4.591 1.00 0.00 C ATOM 362 C THR A 23 5.138 5.601 4.696 1.00 0.00 C ATOM 363 O THR A 23 5.136 6.811 4.586 1.00 0.00 O ATOM 364 CB THR A 23 6.384 3.951 3.326 1.00 0.00 C ATOM 365 OG1 THR A 23 7.606 3.238 3.186 1.00 0.00 O ATOM 366 CG2 THR A 23 6.165 4.854 2.113 1.00 0.00 C ATOM 0 H THR A 23 6.250 2.821 5.370 1.00 0.00 H new ATOM 0 HA THR A 23 7.268 5.472 4.624 1.00 0.00 H new ATOM 0 HB THR A 23 5.561 3.240 3.390 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.454 2.288 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.139 4.247 1.208 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.220 5.386 2.221 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.980 5.574 2.044 1.00 0.00 H new ATOM 374 N LEU A 24 4.040 4.928 4.920 1.00 0.00 N ATOM 375 CA LEU A 24 2.742 5.635 5.046 1.00 0.00 C ATOM 376 C LEU A 24 2.677 6.293 6.415 1.00 0.00 C ATOM 377 O LEU A 24 1.995 7.279 6.613 1.00 0.00 O ATOM 378 CB LEU A 24 1.679 4.544 4.920 1.00 0.00 C ATOM 379 CG LEU A 24 1.200 4.459 3.470 1.00 0.00 C ATOM 380 CD1 LEU A 24 0.422 3.158 3.266 1.00 0.00 C ATOM 381 CD2 LEU A 24 0.290 5.650 3.162 1.00 0.00 C ATOM 0 H LEU A 24 3.991 3.914 5.021 1.00 0.00 H new ATOM 0 HA LEU A 24 2.602 6.412 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.089 3.584 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.839 4.763 5.579 1.00 0.00 H new ATOM 0 HG LEU A 24 2.061 4.477 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.080 3.097 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.069 2.309 3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.439 3.140 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.051 5.589 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.571 5.632 3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.843 6.578 3.308 1.00 0.00 H new ATOM 393 N LEU A 25 3.390 5.755 7.367 1.00 0.00 N ATOM 394 CA LEU A 25 3.368 6.366 8.725 1.00 0.00 C ATOM 395 C LEU A 25 4.345 7.521 8.787 1.00 0.00 C ATOM 396 O LEU A 25 4.250 8.397 9.626 1.00 0.00 O ATOM 397 CB LEU A 25 3.763 5.247 9.675 1.00 0.00 C ATOM 398 CG LEU A 25 2.607 4.267 9.739 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.082 2.944 10.335 1.00 0.00 C ATOM 400 CD2 LEU A 25 1.493 4.866 10.598 1.00 0.00 C ATOM 0 H LEU A 25 3.980 4.929 7.265 1.00 0.00 H new ATOM 0 HA LEU A 25 2.391 6.773 8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.667 4.749 9.325 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.982 5.646 10.666 1.00 0.00 H new ATOM 0 HG LEU A 25 2.227 4.078 8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.248 2.244 10.379 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.873 2.527 9.712 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.465 3.115 11.341 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.658 4.168 10.649 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.870 5.055 11.603 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.156 5.803 10.155 1.00 0.00 H new ATOM 412 N GLU A 26 5.239 7.564 7.863 1.00 0.00 N ATOM 413 CA GLU A 26 6.182 8.694 7.803 1.00 0.00 C ATOM 414 C GLU A 26 5.581 9.680 6.839 1.00 0.00 C ATOM 415 O GLU A 26 5.751 10.879 6.937 1.00 0.00 O ATOM 416 CB GLU A 26 7.505 8.118 7.297 1.00 0.00 C ATOM 417 CG GLU A 26 8.186 7.340 8.425 1.00 0.00 C ATOM 418 CD GLU A 26 9.132 8.268 9.191 1.00 0.00 C ATOM 419 OE1 GLU A 26 10.264 8.412 8.763 1.00 0.00 O ATOM 420 OE2 GLU A 26 8.706 8.819 10.194 1.00 0.00 O ATOM 0 H GLU A 26 5.360 6.858 7.137 1.00 0.00 H new ATOM 0 HA GLU A 26 6.360 9.193 8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.326 7.462 6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.155 8.921 6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.436 6.930 9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.741 6.496 8.015 1.00 0.00 H new ATOM 427 N LEU A 27 4.848 9.150 5.913 1.00 0.00 N ATOM 428 CA LEU A 27 4.181 9.995 4.925 1.00 0.00 C ATOM 429 C LEU A 27 3.060 10.771 5.606 1.00 0.00 C ATOM 430 O LEU A 27 2.715 11.862 5.208 1.00 0.00 O ATOM 431 CB LEU A 27 3.628 9.031 3.876 1.00 0.00 C ATOM 432 CG LEU A 27 2.768 9.802 2.877 1.00 0.00 C ATOM 433 CD1 LEU A 27 3.669 10.644 1.971 1.00 0.00 C ATOM 434 CD2 LEU A 27 1.967 8.813 2.029 1.00 0.00 C ATOM 0 H LEU A 27 4.686 8.149 5.805 1.00 0.00 H new ATOM 0 HA LEU A 27 4.850 10.725 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.447 8.532 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.035 8.254 4.358 1.00 0.00 H new ATOM 0 HG LEU A 27 2.083 10.458 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.055 11.194 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.240 11.347 2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.355 9.991 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.352 9.361 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.652 8.158 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.326 8.215 2.676 1.00 0.00 H new ATOM 446 N GLU A 28 2.498 10.222 6.647 1.00 0.00 N ATOM 447 CA GLU A 28 1.415 10.956 7.356 1.00 0.00 C ATOM 448 C GLU A 28 2.024 12.111 8.131 1.00 0.00 C ATOM 449 O GLU A 28 1.474 13.193 8.196 1.00 0.00 O ATOM 450 CB GLU A 28 0.764 9.970 8.315 1.00 0.00 C ATOM 451 CG GLU A 28 1.817 9.153 9.059 1.00 0.00 C ATOM 452 CD GLU A 28 1.164 8.439 10.243 1.00 0.00 C ATOM 453 OE1 GLU A 28 -0.053 8.355 10.261 1.00 0.00 O ATOM 454 OE2 GLU A 28 1.891 7.987 11.111 1.00 0.00 O ATOM 0 H GLU A 28 2.738 9.309 7.033 1.00 0.00 H new ATOM 0 HA GLU A 28 0.679 11.356 6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.144 10.509 9.031 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.104 9.302 7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.270 8.425 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.617 9.804 9.410 1.00 0.00 H new ATOM 461 N LYS A 29 3.180 11.902 8.690 1.00 0.00 N ATOM 462 CA LYS A 29 3.847 13.002 9.425 1.00 0.00 C ATOM 463 C LYS A 29 4.459 13.934 8.388 1.00 0.00 C ATOM 464 O LYS A 29 4.810 15.066 8.655 1.00 0.00 O ATOM 465 CB LYS A 29 4.884 12.295 10.306 1.00 0.00 C ATOM 466 CG LYS A 29 6.320 12.676 9.932 1.00 0.00 C ATOM 467 CD LYS A 29 7.203 11.468 10.169 1.00 0.00 C ATOM 468 CE LYS A 29 7.249 11.151 11.662 1.00 0.00 C ATOM 469 NZ LYS A 29 8.451 11.865 12.173 1.00 0.00 N ATOM 0 H LYS A 29 3.689 11.018 8.669 1.00 0.00 H new ATOM 0 HA LYS A 29 3.196 13.615 10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.703 12.548 11.351 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.761 11.216 10.214 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.372 12.987 8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.659 13.520 10.533 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.819 10.610 9.617 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.209 11.662 9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.344 11.492 12.165 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.325 10.077 11.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.548 11.694 13.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.298 11.515 11.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.348 12.886 12.001 1.00 0.00 H new ATOM 483 N ASN A 30 4.555 13.436 7.192 1.00 0.00 N ATOM 484 CA ASN A 30 5.111 14.241 6.067 1.00 0.00 C ATOM 485 C ASN A 30 4.571 13.689 4.765 1.00 0.00 C ATOM 486 O ASN A 30 5.220 12.937 4.065 1.00 0.00 O ATOM 487 CB ASN A 30 6.632 14.107 6.157 1.00 0.00 C ATOM 488 CG ASN A 30 7.277 15.475 5.930 1.00 0.00 C ATOM 489 OD1 ASN A 30 6.656 16.362 5.200 1.00 0.00 O flip ATOM 490 ND2 ASN A 30 8.354 15.741 6.424 1.00 0.00 N flip ATOM 0 H ASN A 30 4.268 12.491 6.939 1.00 0.00 H new ATOM 0 HA ASN A 30 4.830 15.293 6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.916 13.716 7.134 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.990 13.396 5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.839 15.048 6.994 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.774 16.658 6.269 1.00 0.00 H new ATOM 497 N PRO A 31 3.359 14.073 4.525 1.00 0.00 N ATOM 498 CA PRO A 31 2.624 13.619 3.336 1.00 0.00 C ATOM 499 C PRO A 31 2.883 14.519 2.125 1.00 0.00 C ATOM 500 O PRO A 31 2.054 14.635 1.247 1.00 0.00 O ATOM 501 CB PRO A 31 1.183 13.744 3.791 1.00 0.00 C ATOM 502 CG PRO A 31 1.160 14.804 4.847 1.00 0.00 C ATOM 503 CD PRO A 31 2.556 14.968 5.362 1.00 0.00 C ATOM 0 HA PRO A 31 2.911 12.619 3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.535 14.014 2.957 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.817 12.796 4.185 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.792 15.744 4.436 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.485 14.523 5.656 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.893 16.001 5.276 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.626 14.696 6.415 1.00 0.00 H new ATOM 511 N GLU A 32 4.011 15.163 2.072 1.00 0.00 N ATOM 512 CA GLU A 32 4.294 16.062 0.912 1.00 0.00 C ATOM 513 C GLU A 32 5.778 16.008 0.553 1.00 0.00 C ATOM 514 O GLU A 32 6.242 16.707 -0.328 1.00 0.00 O ATOM 515 CB GLU A 32 3.897 17.481 1.361 1.00 0.00 C ATOM 516 CG GLU A 32 3.301 17.446 2.772 1.00 0.00 C ATOM 517 CD GLU A 32 3.142 18.870 3.305 1.00 0.00 C ATOM 518 OE1 GLU A 32 3.865 19.737 2.843 1.00 0.00 O ATOM 519 OE2 GLU A 32 2.301 19.070 4.166 1.00 0.00 O ATOM 0 H GLU A 32 4.749 15.110 2.774 1.00 0.00 H new ATOM 0 HA GLU A 32 3.736 15.759 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.771 18.133 1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.172 17.901 0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.333 16.945 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.947 16.870 3.435 1.00 0.00 H new ATOM 526 N ASP A 33 6.525 15.182 1.224 1.00 0.00 N ATOM 527 CA ASP A 33 7.978 15.077 0.921 1.00 0.00 C ATOM 528 C ASP A 33 8.179 14.518 -0.485 1.00 0.00 C ATOM 529 O ASP A 33 9.245 14.607 -1.063 1.00 0.00 O ATOM 530 CB ASP A 33 8.541 14.118 1.971 1.00 0.00 C ATOM 531 CG ASP A 33 7.661 12.869 2.048 1.00 0.00 C ATOM 532 OD1 ASP A 33 7.269 12.380 1.000 1.00 0.00 O ATOM 533 OD2 ASP A 33 7.394 12.423 3.151 1.00 0.00 O ATOM 0 H ASP A 33 6.193 14.573 1.971 1.00 0.00 H new ATOM 0 HA ASP A 33 8.478 16.045 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.563 13.840 1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.579 14.609 2.943 1.00 0.00 H new ATOM 538 N MET A 34 7.155 13.927 -1.019 1.00 0.00 N ATOM 539 CA MET A 34 7.229 13.326 -2.380 1.00 0.00 C ATOM 540 C MET A 34 8.237 12.183 -2.394 1.00 0.00 C ATOM 541 O MET A 34 8.526 11.606 -3.423 1.00 0.00 O ATOM 542 CB MET A 34 7.654 14.457 -3.320 1.00 0.00 C ATOM 543 CG MET A 34 6.408 15.135 -3.894 1.00 0.00 C ATOM 544 SD MET A 34 5.858 14.240 -5.369 1.00 0.00 S ATOM 545 CE MET A 34 4.827 15.556 -6.064 1.00 0.00 C ATOM 0 H MET A 34 6.248 13.831 -0.562 1.00 0.00 H new ATOM 0 HA MET A 34 6.273 12.904 -2.692 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.262 15.184 -2.781 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.271 14.062 -4.127 1.00 0.00 H new ATOM 0 HG2 MET A 34 5.613 15.151 -3.148 1.00 0.00 H new ATOM 0 HG3 MET A 34 6.629 16.172 -4.146 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.380 15.213 -6.997 1.00 0.00 H new ATOM 0 HE2 MET A 34 4.039 15.813 -5.356 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.441 16.435 -6.257 1.00 0.00 H new ATOM 555 N GLU A 35 8.740 11.820 -1.250 1.00 0.00 N ATOM 556 CA GLU A 35 9.684 10.684 -1.188 1.00 0.00 C ATOM 557 C GLU A 35 8.942 9.526 -0.552 1.00 0.00 C ATOM 558 O GLU A 35 8.992 8.402 -1.013 1.00 0.00 O ATOM 559 CB GLU A 35 10.852 11.158 -0.321 1.00 0.00 C ATOM 560 CG GLU A 35 10.445 11.147 1.154 1.00 0.00 C ATOM 561 CD GLU A 35 11.616 11.635 2.009 1.00 0.00 C ATOM 562 OE1 GLU A 35 12.734 11.229 1.735 1.00 0.00 O ATOM 563 OE2 GLU A 35 11.375 12.408 2.922 1.00 0.00 O ATOM 0 H GLU A 35 8.535 12.265 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 35 10.059 10.361 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.715 10.511 -0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.151 12.163 -0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.577 11.788 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.156 10.140 1.455 1.00 0.00 H new ATOM 570 N LEU A 36 8.197 9.812 0.476 1.00 0.00 N ATOM 571 CA LEU A 36 7.389 8.744 1.108 1.00 0.00 C ATOM 572 C LEU A 36 6.252 8.411 0.151 1.00 0.00 C ATOM 573 O LEU A 36 5.695 7.332 0.172 1.00 0.00 O ATOM 574 CB LEU A 36 6.844 9.340 2.405 1.00 0.00 C ATOM 575 CG LEU A 36 8.001 9.712 3.329 1.00 0.00 C ATOM 576 CD1 LEU A 36 7.468 9.972 4.736 1.00 0.00 C ATOM 577 CD2 LEU A 36 9.013 8.564 3.375 1.00 0.00 C ATOM 0 H LEU A 36 8.115 10.735 0.902 1.00 0.00 H new ATOM 0 HA LEU A 36 7.956 7.837 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.243 10.223 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.189 8.622 2.899 1.00 0.00 H new ATOM 0 HG LEU A 36 8.488 10.611 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.295 10.237 5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.749 10.791 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.979 9.073 5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.838 8.832 4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.526 7.664 3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.397 8.377 2.372 1.00 0.00 H new ATOM 589 N ILE A 37 5.916 9.343 -0.707 1.00 0.00 N ATOM 590 CA ILE A 37 4.829 9.092 -1.686 1.00 0.00 C ATOM 591 C ILE A 37 5.300 8.065 -2.715 1.00 0.00 C ATOM 592 O ILE A 37 4.540 7.227 -3.159 1.00 0.00 O ATOM 593 CB ILE A 37 4.576 10.443 -2.351 1.00 0.00 C ATOM 594 CG1 ILE A 37 3.928 11.392 -1.343 1.00 0.00 C ATOM 595 CG2 ILE A 37 3.639 10.256 -3.544 1.00 0.00 C ATOM 596 CD1 ILE A 37 3.625 12.726 -2.024 1.00 0.00 C ATOM 0 H ILE A 37 6.351 10.264 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 37 3.925 8.697 -1.222 1.00 0.00 H new ATOM 0 HB ILE A 37 5.522 10.863 -2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.010 10.954 -0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.593 11.548 -0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.458 11.220 -4.019 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.097 9.577 -4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.693 9.837 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.163 13.404 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.552 13.165 -2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.944 12.562 -2.859 1.00 0.00 H new ATOM 608 N ASN A 38 6.551 8.112 -3.093 1.00 0.00 N ATOM 609 CA ASN A 38 7.048 7.121 -4.087 1.00 0.00 C ATOM 610 C ASN A 38 7.545 5.873 -3.366 1.00 0.00 C ATOM 611 O ASN A 38 7.714 4.823 -3.953 1.00 0.00 O ATOM 612 CB ASN A 38 8.185 7.819 -4.833 1.00 0.00 C ATOM 613 CG ASN A 38 8.913 6.804 -5.714 1.00 0.00 C ATOM 614 OD1 ASN A 38 10.114 6.643 -5.611 1.00 0.00 O ATOM 615 ND2 ASN A 38 8.234 6.105 -6.581 1.00 0.00 N ATOM 0 H ASN A 38 7.241 8.786 -2.760 1.00 0.00 H new ATOM 0 HA ASN A 38 6.269 6.800 -4.778 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.789 8.630 -5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.881 8.265 -4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.710 5.424 -7.172 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.227 6.240 -6.668 1.00 0.00 H new ATOM 622 N GLU A 39 7.749 5.978 -2.090 1.00 0.00 N ATOM 623 CA GLU A 39 8.202 4.794 -1.311 1.00 0.00 C ATOM 624 C GLU A 39 6.993 3.920 -1.016 1.00 0.00 C ATOM 625 O GLU A 39 7.094 2.726 -0.815 1.00 0.00 O ATOM 626 CB GLU A 39 8.805 5.359 -0.024 1.00 0.00 C ATOM 627 CG GLU A 39 10.144 6.028 -0.341 1.00 0.00 C ATOM 628 CD GLU A 39 11.231 4.959 -0.474 1.00 0.00 C ATOM 629 OE1 GLU A 39 10.979 3.833 -0.076 1.00 0.00 O ATOM 630 OE2 GLU A 39 12.297 5.285 -0.970 1.00 0.00 O ATOM 0 H GLU A 39 7.622 6.833 -1.548 1.00 0.00 H new ATOM 0 HA GLU A 39 8.932 4.183 -1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.122 6.081 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.948 4.561 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.067 6.600 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.406 6.732 0.448 1.00 0.00 H new ATOM 637 N ALA A 40 5.848 4.524 -1.015 1.00 0.00 N ATOM 638 CA ALA A 40 4.590 3.770 -0.766 1.00 0.00 C ATOM 639 C ALA A 40 4.013 3.293 -2.100 1.00 0.00 C ATOM 640 O ALA A 40 3.688 2.134 -2.268 1.00 0.00 O ATOM 641 CB ALA A 40 3.651 4.773 -0.096 1.00 0.00 C ATOM 0 H ALA A 40 5.723 5.523 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 40 4.741 2.888 -0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.698 4.291 0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.098 5.125 0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.486 5.619 -0.763 1.00 0.00 H new ATOM 647 N PHE A 41 3.891 4.180 -3.054 1.00 0.00 N ATOM 648 CA PHE A 41 3.345 3.777 -4.380 1.00 0.00 C ATOM 649 C PHE A 41 4.161 2.607 -4.945 1.00 0.00 C ATOM 650 O PHE A 41 3.658 1.797 -5.699 1.00 0.00 O ATOM 651 CB PHE A 41 3.494 5.024 -5.259 1.00 0.00 C ATOM 652 CG PHE A 41 3.469 4.634 -6.718 1.00 0.00 C ATOM 653 CD1 PHE A 41 2.253 4.343 -7.346 1.00 0.00 C ATOM 654 CD2 PHE A 41 4.665 4.566 -7.444 1.00 0.00 C ATOM 655 CE1 PHE A 41 2.232 3.982 -8.698 1.00 0.00 C ATOM 656 CE2 PHE A 41 4.645 4.208 -8.796 1.00 0.00 C ATOM 657 CZ PHE A 41 3.428 3.915 -9.423 1.00 0.00 C ATOM 0 H PHE A 41 4.146 5.164 -2.970 1.00 0.00 H new ATOM 0 HA PHE A 41 2.309 3.442 -4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.687 5.726 -5.048 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.429 5.533 -5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.330 4.397 -6.787 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.604 4.790 -6.959 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.294 3.755 -9.182 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.567 4.158 -9.356 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.412 3.637 -10.467 1.00 0.00 H new ATOM 667 N ARG A 42 5.413 2.512 -4.587 1.00 0.00 N ATOM 668 CA ARG A 42 6.249 1.391 -5.106 1.00 0.00 C ATOM 669 C ARG A 42 6.054 0.141 -4.241 1.00 0.00 C ATOM 670 O ARG A 42 5.856 -0.948 -4.742 1.00 0.00 O ATOM 671 CB ARG A 42 7.694 1.903 -5.035 1.00 0.00 C ATOM 672 CG ARG A 42 8.280 1.677 -3.638 1.00 0.00 C ATOM 673 CD ARG A 42 9.749 2.108 -3.626 1.00 0.00 C ATOM 674 NE ARG A 42 10.516 0.866 -3.331 1.00 0.00 N ATOM 675 CZ ARG A 42 11.796 0.816 -3.577 1.00 0.00 C ATOM 676 NH1 ARG A 42 12.221 0.695 -4.805 1.00 0.00 N ATOM 677 NH2 ARG A 42 12.653 0.887 -2.596 1.00 0.00 N ATOM 0 H ARG A 42 5.892 3.159 -3.960 1.00 0.00 H new ATOM 0 HA ARG A 42 5.980 1.105 -6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.304 1.390 -5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.721 2.965 -5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.717 2.247 -2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.196 0.626 -3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.043 2.534 -4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.929 2.872 -2.870 1.00 0.00 H new ATOM 0 HE ARG A 42 10.040 0.054 -2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.552 0.639 -5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.222 0.656 -4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.322 0.982 -1.636 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.654 0.848 -2.789 1.00 0.00 H new ATOM 691 N ALA A 43 6.096 0.292 -2.946 1.00 0.00 N ATOM 692 CA ALA A 43 5.902 -0.886 -2.052 1.00 0.00 C ATOM 693 C ALA A 43 4.564 -1.546 -2.351 1.00 0.00 C ATOM 694 O ALA A 43 4.460 -2.752 -2.398 1.00 0.00 O ATOM 695 CB ALA A 43 5.919 -0.321 -0.631 1.00 0.00 C ATOM 0 H ALA A 43 6.256 1.179 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 43 6.673 -1.644 -2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.781 -1.132 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.875 0.168 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.113 0.404 -0.518 1.00 0.00 H new ATOM 701 N LEU A 44 3.542 -0.768 -2.567 1.00 0.00 N ATOM 702 CA LEU A 44 2.219 -1.369 -2.875 1.00 0.00 C ATOM 703 C LEU A 44 2.241 -1.952 -4.285 1.00 0.00 C ATOM 704 O LEU A 44 1.760 -3.040 -4.517 1.00 0.00 O ATOM 705 CB LEU A 44 1.222 -0.219 -2.765 1.00 0.00 C ATOM 706 CG LEU A 44 0.929 0.051 -1.290 1.00 0.00 C ATOM 707 CD1 LEU A 44 0.601 1.529 -1.092 1.00 0.00 C ATOM 708 CD2 LEU A 44 -0.264 -0.796 -0.843 1.00 0.00 C ATOM 0 H LEU A 44 3.566 0.251 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 44 1.955 -2.183 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.627 0.676 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.301 -0.469 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 44 1.806 -0.208 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.393 1.718 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.450 2.136 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.274 1.790 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.473 -0.603 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.138 -0.537 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.032 -1.852 -0.979 1.00 0.00 H new ATOM 720 N HIS A 45 2.819 -1.254 -5.225 1.00 0.00 N ATOM 721 CA HIS A 45 2.890 -1.797 -6.608 1.00 0.00 C ATOM 722 C HIS A 45 3.725 -3.069 -6.584 1.00 0.00 C ATOM 723 O HIS A 45 3.446 -4.026 -7.280 1.00 0.00 O ATOM 724 CB HIS A 45 3.574 -0.708 -7.434 1.00 0.00 C ATOM 725 CG HIS A 45 3.374 -0.987 -8.899 1.00 0.00 C ATOM 726 ND1 HIS A 45 2.900 -0.026 -9.779 1.00 0.00 N ATOM 727 CD2 HIS A 45 3.578 -2.116 -9.652 1.00 0.00 C ATOM 728 CE1 HIS A 45 2.835 -0.590 -10.998 1.00 0.00 C ATOM 729 NE2 HIS A 45 3.236 -1.864 -10.977 1.00 0.00 N ATOM 0 H HIS A 45 3.243 -0.335 -5.094 1.00 0.00 H new ATOM 0 HA HIS A 45 1.914 -2.046 -7.025 1.00 0.00 H new ATOM 0 HB2 HIS A 45 3.162 0.269 -7.180 1.00 0.00 H new ATOM 0 HB3 HIS A 45 4.638 -0.675 -7.201 1.00 0.00 H new ATOM 0 HD1 HIS A 45 2.647 0.934 -9.544 1.00 0.00 H new ATOM 0 HD2 HIS A 45 3.948 -3.057 -9.274 1.00 0.00 H new ATOM 0 HE1 HIS A 45 2.499 -0.075 -11.886 1.00 0.00 H new ATOM 737 N THR A 46 4.732 -3.097 -5.758 1.00 0.00 N ATOM 738 CA THR A 46 5.567 -4.319 -5.655 1.00 0.00 C ATOM 739 C THR A 46 4.749 -5.386 -4.924 1.00 0.00 C ATOM 740 O THR A 46 4.778 -6.554 -5.258 1.00 0.00 O ATOM 741 CB THR A 46 6.813 -3.880 -4.861 1.00 0.00 C ATOM 742 OG1 THR A 46 7.936 -3.866 -5.730 1.00 0.00 O ATOM 743 CG2 THR A 46 7.093 -4.836 -3.693 1.00 0.00 C ATOM 0 H THR A 46 5.011 -2.326 -5.151 1.00 0.00 H new ATOM 0 HA THR A 46 5.867 -4.745 -6.612 1.00 0.00 H new ATOM 0 HB THR A 46 6.630 -2.885 -4.455 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.732 -3.586 -5.232 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.978 -4.500 -3.152 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.237 -4.846 -3.018 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.263 -5.841 -4.078 1.00 0.00 H new ATOM 751 N LEU A 47 4.001 -4.972 -3.939 1.00 0.00 N ATOM 752 CA LEU A 47 3.152 -5.926 -3.181 1.00 0.00 C ATOM 753 C LEU A 47 1.939 -6.321 -4.033 1.00 0.00 C ATOM 754 O LEU A 47 1.473 -7.442 -3.985 1.00 0.00 O ATOM 755 CB LEU A 47 2.724 -5.140 -1.942 1.00 0.00 C ATOM 756 CG LEU A 47 3.481 -5.664 -0.725 1.00 0.00 C ATOM 757 CD1 LEU A 47 3.027 -4.908 0.525 1.00 0.00 C ATOM 758 CD2 LEU A 47 3.196 -7.158 -0.551 1.00 0.00 C ATOM 0 H LEU A 47 3.943 -4.003 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 47 3.665 -6.851 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.928 -4.079 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.650 -5.240 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 47 4.551 -5.513 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.568 -5.283 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.231 -3.845 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.957 -5.057 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.737 -7.533 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.126 -7.310 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.522 -7.697 -1.441 1.00 0.00 H new ATOM 770 N LYS A 48 1.439 -5.408 -4.823 1.00 0.00 N ATOM 771 CA LYS A 48 0.276 -5.719 -5.694 1.00 0.00 C ATOM 772 C LYS A 48 0.635 -6.888 -6.613 1.00 0.00 C ATOM 773 O LYS A 48 -0.179 -7.742 -6.904 1.00 0.00 O ATOM 774 CB LYS A 48 0.053 -4.445 -6.518 1.00 0.00 C ATOM 775 CG LYS A 48 -1.435 -4.272 -6.824 1.00 0.00 C ATOM 776 CD LYS A 48 -2.030 -5.614 -7.242 1.00 0.00 C ATOM 777 CE LYS A 48 -1.328 -6.101 -8.509 1.00 0.00 C ATOM 778 NZ LYS A 48 -2.109 -5.510 -9.632 1.00 0.00 N ATOM 0 H LYS A 48 1.792 -4.454 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.614 -6.000 -5.131 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.423 -3.578 -5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.620 -4.500 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.955 -3.890 -5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.570 -3.539 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.910 -6.344 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.100 -5.511 -7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.289 -5.774 -8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.321 -7.190 -8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.688 -5.799 -10.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.093 -5.845 -9.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.093 -4.473 -9.558 1.00 0.00 H new ATOM 792 N GLY A 49 1.855 -6.929 -7.069 1.00 0.00 N ATOM 793 CA GLY A 49 2.277 -8.040 -7.968 1.00 0.00 C ATOM 794 C GLY A 49 2.373 -9.340 -7.165 1.00 0.00 C ATOM 795 O GLY A 49 1.713 -10.315 -7.464 1.00 0.00 O ATOM 0 H GLY A 49 2.579 -6.242 -6.859 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.561 -8.155 -8.782 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.241 -7.809 -8.422 1.00 0.00 H new ATOM 799 N MET A 50 3.191 -9.361 -6.146 1.00 0.00 N ATOM 800 CA MET A 50 3.329 -10.601 -5.326 1.00 0.00 C ATOM 801 C MET A 50 1.961 -11.053 -4.808 1.00 0.00 C ATOM 802 O MET A 50 1.768 -12.201 -4.460 1.00 0.00 O ATOM 803 CB MET A 50 4.231 -10.208 -4.154 1.00 0.00 C ATOM 804 CG MET A 50 5.589 -9.739 -4.678 1.00 0.00 C ATOM 805 SD MET A 50 6.809 -9.796 -3.336 1.00 0.00 S ATOM 806 CE MET A 50 5.728 -9.219 -2.002 1.00 0.00 C ATOM 0 H MET A 50 3.768 -8.575 -5.846 1.00 0.00 H new ATOM 0 HA MET A 50 3.742 -11.427 -5.905 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.762 -9.414 -3.573 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.363 -11.058 -3.484 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.911 -10.374 -5.504 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.509 -8.724 -5.068 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.335 -8.892 -1.157 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.124 -8.385 -2.359 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.074 -10.032 -1.686 1.00 0.00 H new ATOM 816 N ALA A 51 1.011 -10.160 -4.749 1.00 0.00 N ATOM 817 CA ALA A 51 -0.338 -10.544 -4.247 1.00 0.00 C ATOM 818 C ALA A 51 -1.225 -11.004 -5.400 1.00 0.00 C ATOM 819 O ALA A 51 -2.250 -11.619 -5.197 1.00 0.00 O ATOM 820 CB ALA A 51 -0.908 -9.272 -3.622 1.00 0.00 C ATOM 0 H ALA A 51 1.111 -9.183 -5.026 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.287 -11.367 -3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.904 -9.475 -3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.258 -8.942 -2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.970 -8.491 -4.379 1.00 0.00 H new ATOM 826 N GLY A 52 -0.845 -10.705 -6.607 1.00 0.00 N ATOM 827 CA GLY A 52 -1.676 -11.117 -7.768 1.00 0.00 C ATOM 828 C GLY A 52 -1.231 -12.489 -8.256 1.00 0.00 C ATOM 829 O GLY A 52 -1.348 -12.817 -9.420 1.00 0.00 O ATOM 0 H GLY A 52 0.006 -10.193 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.728 -11.145 -7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.583 -10.387 -8.572 1.00 0.00 H new ATOM 833 N THR A 53 -0.721 -13.297 -7.374 1.00 0.00 N ATOM 834 CA THR A 53 -0.264 -14.649 -7.782 1.00 0.00 C ATOM 835 C THR A 53 -0.218 -15.560 -6.567 1.00 0.00 C ATOM 836 O THR A 53 -0.818 -16.616 -6.529 1.00 0.00 O ATOM 837 CB THR A 53 1.133 -14.416 -8.377 1.00 0.00 C ATOM 838 OG1 THR A 53 1.013 -14.148 -9.768 1.00 0.00 O ATOM 839 CG2 THR A 53 2.015 -15.649 -8.174 1.00 0.00 C ATOM 0 H THR A 53 -0.601 -13.078 -6.385 1.00 0.00 H new ATOM 0 HA THR A 53 -0.925 -15.133 -8.501 1.00 0.00 H new ATOM 0 HB THR A 53 1.593 -13.567 -7.871 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.145 -13.730 -9.947 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.001 -15.466 -8.602 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.114 -15.854 -7.108 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.559 -16.508 -8.667 1.00 0.00 H new ATOM 847 N MET A 54 0.487 -15.140 -5.581 1.00 0.00 N ATOM 848 CA MET A 54 0.599 -15.942 -4.335 1.00 0.00 C ATOM 849 C MET A 54 -0.155 -15.256 -3.207 1.00 0.00 C ATOM 850 O MET A 54 -0.263 -15.768 -2.111 1.00 0.00 O ATOM 851 CB MET A 54 2.079 -15.958 -4.024 1.00 0.00 C ATOM 852 CG MET A 54 2.707 -17.252 -4.546 1.00 0.00 C ATOM 853 SD MET A 54 4.108 -17.714 -3.496 1.00 0.00 S ATOM 854 CE MET A 54 5.144 -16.276 -3.857 1.00 0.00 C ATOM 0 H MET A 54 1.004 -14.261 -5.574 1.00 0.00 H new ATOM 0 HA MET A 54 0.183 -16.943 -4.446 1.00 0.00 H new ATOM 0 HB2 MET A 54 2.565 -15.097 -4.483 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.234 -15.876 -2.948 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.966 -18.051 -4.553 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.040 -17.117 -5.575 1.00 0.00 H new ATOM 0 HE1 MET A 54 6.080 -16.354 -3.303 1.00 0.00 H new ATOM 0 HE2 MET A 54 5.356 -16.240 -4.925 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.621 -15.367 -3.560 1.00 0.00 H new ATOM 864 N GLY A 55 -0.694 -14.111 -3.476 1.00 0.00 N ATOM 865 CA GLY A 55 -1.463 -13.392 -2.430 1.00 0.00 C ATOM 866 C GLY A 55 -2.876 -13.199 -2.951 1.00 0.00 C ATOM 867 O GLY A 55 -3.697 -12.534 -2.351 1.00 0.00 O ATOM 0 H GLY A 55 -0.637 -13.637 -4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.472 -13.962 -1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.002 -12.430 -2.209 1.00 0.00 H new ATOM 871 N PHE A 56 -3.159 -13.778 -4.085 1.00 0.00 N ATOM 872 CA PHE A 56 -4.518 -13.629 -4.672 1.00 0.00 C ATOM 873 C PHE A 56 -4.730 -12.178 -5.100 1.00 0.00 C ATOM 874 O PHE A 56 -4.625 -11.264 -4.304 1.00 0.00 O ATOM 875 CB PHE A 56 -5.488 -14.013 -3.552 1.00 0.00 C ATOM 876 CG PHE A 56 -6.319 -15.194 -3.993 1.00 0.00 C ATOM 877 CD1 PHE A 56 -5.709 -16.432 -4.228 1.00 0.00 C ATOM 878 CD2 PHE A 56 -7.701 -15.050 -4.166 1.00 0.00 C ATOM 879 CE1 PHE A 56 -6.481 -17.526 -4.638 1.00 0.00 C ATOM 880 CE2 PHE A 56 -8.472 -16.144 -4.575 1.00 0.00 C ATOM 881 CZ PHE A 56 -7.863 -17.382 -4.810 1.00 0.00 C ATOM 0 H PHE A 56 -2.509 -14.346 -4.629 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.665 -14.253 -5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.935 -14.261 -2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.134 -13.169 -3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.643 -16.543 -4.093 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.172 -14.095 -3.984 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.010 -18.481 -4.821 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -9.538 -16.033 -4.709 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.459 -18.226 -5.124 1.00 0.00 H new ATOM 891 N SER A 57 -5.011 -11.954 -6.351 1.00 0.00 N ATOM 892 CA SER A 57 -5.211 -10.561 -6.833 1.00 0.00 C ATOM 893 C SER A 57 -6.307 -9.867 -6.039 1.00 0.00 C ATOM 894 O SER A 57 -6.445 -8.661 -6.075 1.00 0.00 O ATOM 895 CB SER A 57 -5.613 -10.690 -8.297 1.00 0.00 C ATOM 896 OG SER A 57 -4.851 -11.722 -8.909 1.00 0.00 O ATOM 0 H SER A 57 -5.111 -12.678 -7.063 1.00 0.00 H new ATOM 0 HA SER A 57 -4.309 -9.962 -6.711 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.677 -10.914 -8.375 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.448 -9.745 -8.815 1.00 0.00 H new ATOM 0 HG SER A 57 -5.111 -11.806 -9.850 1.00 0.00 H new ATOM 902 N SER A 58 -7.074 -10.609 -5.306 1.00 0.00 N ATOM 903 CA SER A 58 -8.140 -9.973 -4.499 1.00 0.00 C ATOM 904 C SER A 58 -7.472 -9.072 -3.471 1.00 0.00 C ATOM 905 O SER A 58 -7.843 -7.929 -3.289 1.00 0.00 O ATOM 906 CB SER A 58 -8.890 -11.117 -3.821 1.00 0.00 C ATOM 907 OG SER A 58 -9.459 -11.961 -4.815 1.00 0.00 O ATOM 0 H SER A 58 -7.011 -11.624 -5.230 1.00 0.00 H new ATOM 0 HA SER A 58 -8.828 -9.369 -5.091 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.210 -11.688 -3.188 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.672 -10.721 -3.173 1.00 0.00 H new ATOM 0 HG SER A 58 -9.940 -12.697 -4.383 1.00 0.00 H new ATOM 913 N MET A 59 -6.460 -9.574 -2.816 1.00 0.00 N ATOM 914 CA MET A 59 -5.742 -8.738 -1.826 1.00 0.00 C ATOM 915 C MET A 59 -4.717 -7.873 -2.557 1.00 0.00 C ATOM 916 O MET A 59 -4.248 -6.878 -2.040 1.00 0.00 O ATOM 917 CB MET A 59 -5.053 -9.723 -0.882 1.00 0.00 C ATOM 918 CG MET A 59 -4.195 -8.952 0.124 1.00 0.00 C ATOM 919 SD MET A 59 -2.746 -9.942 0.564 1.00 0.00 S ATOM 920 CE MET A 59 -2.109 -10.167 -1.114 1.00 0.00 C ATOM 0 H MET A 59 -6.104 -10.524 -2.927 1.00 0.00 H new ATOM 0 HA MET A 59 -6.405 -8.070 -1.276 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.798 -10.322 -0.357 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.432 -10.414 -1.451 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.882 -8.000 -0.304 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.778 -8.724 1.016 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.020 -10.118 -1.099 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.423 -11.139 -1.495 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.499 -9.380 -1.760 1.00 0.00 H new ATOM 930 N ALA A 60 -4.380 -8.235 -3.769 1.00 0.00 N ATOM 931 CA ALA A 60 -3.403 -7.417 -4.538 1.00 0.00 C ATOM 932 C ALA A 60 -4.120 -6.193 -5.098 1.00 0.00 C ATOM 933 O ALA A 60 -3.576 -5.108 -5.146 1.00 0.00 O ATOM 934 CB ALA A 60 -2.908 -8.331 -5.657 1.00 0.00 C ATOM 0 H ALA A 60 -4.739 -9.057 -4.254 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.570 -7.059 -3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.182 -7.796 -6.269 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.438 -9.214 -5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.751 -8.636 -6.277 1.00 0.00 H new ATOM 940 N LYS A 61 -5.357 -6.352 -5.483 1.00 0.00 N ATOM 941 CA LYS A 61 -6.122 -5.183 -5.991 1.00 0.00 C ATOM 942 C LYS A 61 -6.221 -4.184 -4.860 1.00 0.00 C ATOM 943 O LYS A 61 -6.146 -2.986 -5.041 1.00 0.00 O ATOM 944 CB LYS A 61 -7.502 -5.733 -6.335 1.00 0.00 C ATOM 945 CG LYS A 61 -7.726 -5.607 -7.830 1.00 0.00 C ATOM 946 CD LYS A 61 -6.811 -6.593 -8.552 1.00 0.00 C ATOM 947 CE LYS A 61 -7.653 -7.530 -9.422 1.00 0.00 C ATOM 948 NZ LYS A 61 -6.939 -7.589 -10.727 1.00 0.00 N ATOM 0 H LYS A 61 -5.866 -7.236 -5.467 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.667 -4.697 -6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.578 -6.777 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.272 -5.185 -5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.768 -5.812 -8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.517 -4.589 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.093 -6.053 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.237 -7.170 -7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.735 -8.519 -8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.667 -7.150 -9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.457 -8.213 -11.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.882 -6.634 -11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.979 -7.961 -10.581 1.00 0.00 H new ATOM 962 N LEU A 62 -6.357 -4.705 -3.683 1.00 0.00 N ATOM 963 CA LEU A 62 -6.433 -3.858 -2.477 1.00 0.00 C ATOM 964 C LEU A 62 -5.120 -3.088 -2.345 1.00 0.00 C ATOM 965 O LEU A 62 -5.087 -1.949 -1.922 1.00 0.00 O ATOM 966 CB LEU A 62 -6.599 -4.859 -1.337 1.00 0.00 C ATOM 967 CG LEU A 62 -6.665 -4.116 -0.009 1.00 0.00 C ATOM 968 CD1 LEU A 62 -7.695 -2.988 -0.104 1.00 0.00 C ATOM 969 CD2 LEU A 62 -7.075 -5.091 1.098 1.00 0.00 C ATOM 0 H LEU A 62 -6.420 -5.707 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.241 -3.127 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.507 -5.444 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.765 -5.561 -1.331 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.687 -3.694 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.742 -2.457 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.404 -2.295 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.674 -3.408 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.123 -4.562 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.053 -5.513 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.341 -5.894 1.166 1.00 0.00 H new ATOM 981 N CYS A 63 -4.034 -3.708 -2.730 1.00 0.00 N ATOM 982 CA CYS A 63 -2.717 -3.025 -2.655 1.00 0.00 C ATOM 983 C CYS A 63 -2.578 -2.071 -3.843 1.00 0.00 C ATOM 984 O CYS A 63 -1.908 -1.061 -3.770 1.00 0.00 O ATOM 985 CB CYS A 63 -1.679 -4.147 -2.732 1.00 0.00 C ATOM 986 SG CYS A 63 -0.880 -4.342 -1.119 1.00 0.00 S ATOM 0 H CYS A 63 -4.007 -4.661 -3.093 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.595 -2.435 -1.746 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.158 -5.080 -3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.934 -3.916 -3.493 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.521 -5.581 -0.960 1.00 0.00 H new ATOM 992 N HIS A 64 -3.234 -2.376 -4.932 1.00 0.00 N ATOM 993 CA HIS A 64 -3.165 -1.478 -6.118 1.00 0.00 C ATOM 994 C HIS A 64 -3.955 -0.209 -5.809 1.00 0.00 C ATOM 995 O HIS A 64 -3.694 0.854 -6.335 1.00 0.00 O ATOM 996 CB HIS A 64 -3.827 -2.267 -7.251 1.00 0.00 C ATOM 997 CG HIS A 64 -3.426 -1.684 -8.579 1.00 0.00 C ATOM 998 ND1 HIS A 64 -2.100 -1.502 -8.938 1.00 0.00 N ATOM 999 CD2 HIS A 64 -4.168 -1.239 -9.646 1.00 0.00 C ATOM 1000 CE1 HIS A 64 -2.083 -0.968 -10.174 1.00 0.00 C ATOM 1001 NE2 HIS A 64 -3.318 -0.787 -10.651 1.00 0.00 N ATOM 0 H HIS A 64 -3.813 -3.207 -5.049 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.149 -1.185 -6.382 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.530 -3.315 -7.199 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.911 -2.237 -7.143 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.247 -1.240 -9.697 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.182 -0.717 -10.714 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.581 -0.400 -11.557 1.00 0.00 H new ATOM 1009 N THR A 65 -4.922 -0.331 -4.945 1.00 0.00 N ATOM 1010 CA THR A 65 -5.754 0.845 -4.564 1.00 0.00 C ATOM 1011 C THR A 65 -4.938 1.838 -3.734 1.00 0.00 C ATOM 1012 O THR A 65 -4.752 2.978 -4.112 1.00 0.00 O ATOM 1013 CB THR A 65 -6.880 0.263 -3.711 1.00 0.00 C ATOM 1014 OG1 THR A 65 -6.947 -1.142 -3.900 1.00 0.00 O ATOM 1015 CG2 THR A 65 -8.201 0.891 -4.122 1.00 0.00 C ATOM 0 H THR A 65 -5.175 -1.204 -4.481 1.00 0.00 H new ATOM 0 HA THR A 65 -6.121 1.384 -5.438 1.00 0.00 H new ATOM 0 HB THR A 65 -6.684 0.477 -2.660 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.752 -1.356 -4.836 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.005 0.477 -3.514 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.153 1.970 -3.974 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.394 0.678 -5.173 1.00 0.00 H new ATOM 1023 N LEU A 66 -4.447 1.406 -2.606 1.00 0.00 N ATOM 1024 CA LEU A 66 -3.640 2.318 -1.744 1.00 0.00 C ATOM 1025 C LEU A 66 -2.521 2.931 -2.581 1.00 0.00 C ATOM 1026 O LEU A 66 -2.144 4.069 -2.402 1.00 0.00 O ATOM 1027 CB LEU A 66 -3.062 1.426 -0.637 1.00 0.00 C ATOM 1028 CG LEU A 66 -4.154 0.513 -0.060 1.00 0.00 C ATOM 1029 CD1 LEU A 66 -3.709 -0.004 1.307 1.00 0.00 C ATOM 1030 CD2 LEU A 66 -5.461 1.296 0.097 1.00 0.00 C ATOM 0 H LEU A 66 -4.569 0.461 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.228 3.135 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.247 0.822 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.641 2.045 0.155 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.317 -0.324 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.482 -0.653 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.782 -0.567 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.545 0.838 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.230 0.641 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.303 2.137 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.782 1.668 -0.876 1.00 0.00 H new ATOM 1042 N GLU A 67 -2.007 2.179 -3.512 1.00 0.00 N ATOM 1043 CA GLU A 67 -0.927 2.701 -4.391 1.00 0.00 C ATOM 1044 C GLU A 67 -1.507 3.756 -5.320 1.00 0.00 C ATOM 1045 O GLU A 67 -0.951 4.823 -5.496 1.00 0.00 O ATOM 1046 CB GLU A 67 -0.457 1.476 -5.179 1.00 0.00 C ATOM 1047 CG GLU A 67 0.270 1.912 -6.454 1.00 0.00 C ATOM 1048 CD GLU A 67 0.475 0.700 -7.364 1.00 0.00 C ATOM 1049 OE1 GLU A 67 0.210 -0.403 -6.915 1.00 0.00 O ATOM 1050 OE2 GLU A 67 0.891 0.896 -8.494 1.00 0.00 O ATOM 0 H GLU A 67 -2.291 1.218 -3.703 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.108 3.169 -3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.207 0.871 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.312 0.850 -5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.309 2.676 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.232 2.358 -6.202 1.00 0.00 H new ATOM 1057 N ASN A 68 -2.629 3.470 -5.909 1.00 0.00 N ATOM 1058 CA ASN A 68 -3.255 4.455 -6.817 1.00 0.00 C ATOM 1059 C ASN A 68 -3.353 5.800 -6.116 1.00 0.00 C ATOM 1060 O ASN A 68 -3.101 6.833 -6.692 1.00 0.00 O ATOM 1061 CB ASN A 68 -4.651 3.917 -7.070 1.00 0.00 C ATOM 1062 CG ASN A 68 -4.595 2.815 -8.129 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -5.196 1.771 -7.969 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -3.891 3.005 -9.210 1.00 0.00 N ATOM 0 H ASN A 68 -3.139 2.594 -5.799 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.687 4.592 -7.737 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.073 3.524 -6.145 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.306 4.722 -7.403 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.844 2.277 -9.923 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.387 3.882 -9.343 1.00 0.00 H new ATOM 1071 N ILE A 69 -3.701 5.790 -4.863 1.00 0.00 N ATOM 1072 CA ILE A 69 -3.807 7.074 -4.121 1.00 0.00 C ATOM 1073 C ILE A 69 -2.421 7.651 -3.988 1.00 0.00 C ATOM 1074 O ILE A 69 -2.202 8.843 -4.047 1.00 0.00 O ATOM 1075 CB ILE A 69 -4.383 6.734 -2.748 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -5.592 5.803 -2.904 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -4.811 8.031 -2.056 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -6.839 6.611 -3.247 1.00 0.00 C ATOM 0 H ILE A 69 -3.916 4.953 -4.322 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.442 7.802 -4.626 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.627 6.228 -2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.397 5.071 -3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.753 5.247 -1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.224 7.800 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.946 8.685 -1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.568 8.533 -2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.690 5.938 -3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.040 7.326 -2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.679 7.147 -4.182 1.00 0.00 H new ATOM 1090 N LEU A 70 -1.481 6.789 -3.860 1.00 0.00 N ATOM 1091 CA LEU A 70 -0.078 7.245 -3.777 1.00 0.00 C ATOM 1092 C LEU A 70 0.379 7.577 -5.181 1.00 0.00 C ATOM 1093 O LEU A 70 1.389 8.219 -5.393 1.00 0.00 O ATOM 1094 CB LEU A 70 0.704 6.078 -3.181 1.00 0.00 C ATOM 1095 CG LEU A 70 0.083 5.710 -1.836 1.00 0.00 C ATOM 1096 CD1 LEU A 70 0.520 4.305 -1.429 1.00 0.00 C ATOM 1097 CD2 LEU A 70 0.527 6.718 -0.775 1.00 0.00 C ATOM 0 H LEU A 70 -1.616 5.779 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 70 0.062 8.133 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.679 5.222 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.751 6.351 -3.052 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.003 5.732 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.073 4.049 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.193 3.589 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.606 4.272 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.083 6.455 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.614 6.701 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.201 7.717 -1.064 1.00 0.00 H new ATOM 1109 N ASP A 71 -0.397 7.176 -6.146 1.00 0.00 N ATOM 1110 CA ASP A 71 -0.055 7.504 -7.545 1.00 0.00 C ATOM 1111 C ASP A 71 -0.544 8.918 -7.824 1.00 0.00 C ATOM 1112 O ASP A 71 0.152 9.722 -8.413 1.00 0.00 O ATOM 1113 CB ASP A 71 -0.795 6.476 -8.403 1.00 0.00 C ATOM 1114 CG ASP A 71 -0.265 6.533 -9.836 1.00 0.00 C ATOM 1115 OD1 ASP A 71 0.183 7.593 -10.239 1.00 0.00 O ATOM 1116 OD2 ASP A 71 -0.317 5.516 -10.508 1.00 0.00 O ATOM 0 H ASP A 71 -1.253 6.635 -6.021 1.00 0.00 H new ATOM 0 HA ASP A 71 1.014 7.468 -7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.656 5.476 -7.992 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.866 6.680 -8.391 1.00 0.00 H new ATOM 1121 N LYS A 72 -1.722 9.246 -7.364 1.00 0.00 N ATOM 1122 CA LYS A 72 -2.223 10.631 -7.565 1.00 0.00 C ATOM 1123 C LYS A 72 -1.370 11.559 -6.729 1.00 0.00 C ATOM 1124 O LYS A 72 -1.029 12.659 -7.115 1.00 0.00 O ATOM 1125 CB LYS A 72 -3.647 10.613 -7.044 1.00 0.00 C ATOM 1126 CG LYS A 72 -4.572 10.145 -8.142 1.00 0.00 C ATOM 1127 CD LYS A 72 -4.681 8.640 -8.051 1.00 0.00 C ATOM 1128 CE LYS A 72 -5.492 8.255 -6.812 1.00 0.00 C ATOM 1129 NZ LYS A 72 -6.875 8.026 -7.315 1.00 0.00 N ATOM 0 H LYS A 72 -2.352 8.620 -6.863 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.185 10.963 -8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.723 9.951 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.937 11.609 -6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.554 10.605 -8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.186 10.441 -9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.159 8.246 -8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.687 8.196 -7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.090 7.359 -6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.470 9.047 -6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.493 7.757 -6.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.234 8.898 -7.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.866 7.262 -8.021 1.00 0.00 H new ATOM 1143 N ALA A 73 -1.006 11.079 -5.589 1.00 0.00 N ATOM 1144 CA ALA A 73 -0.140 11.859 -4.679 1.00 0.00 C ATOM 1145 C ALA A 73 1.117 12.242 -5.438 1.00 0.00 C ATOM 1146 O ALA A 73 1.617 13.344 -5.331 1.00 0.00 O ATOM 1147 CB ALA A 73 0.187 10.895 -3.544 1.00 0.00 C ATOM 0 H ALA A 73 -1.276 10.160 -5.239 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.601 12.773 -4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.830 11.393 -2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.736 10.580 -3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.701 10.022 -3.945 1.00 0.00 H new ATOM 1153 N ARG A 74 1.618 11.336 -6.231 1.00 0.00 N ATOM 1154 CA ARG A 74 2.828 11.651 -7.027 1.00 0.00 C ATOM 1155 C ARG A 74 2.397 12.226 -8.374 1.00 0.00 C ATOM 1156 O ARG A 74 3.169 12.851 -9.074 1.00 0.00 O ATOM 1157 CB ARG A 74 3.564 10.324 -7.208 1.00 0.00 C ATOM 1158 CG ARG A 74 2.697 9.373 -8.029 1.00 0.00 C ATOM 1159 CD ARG A 74 3.564 8.238 -8.581 1.00 0.00 C ATOM 1160 NE ARG A 74 3.053 8.005 -9.961 1.00 0.00 N ATOM 1161 CZ ARG A 74 3.876 8.010 -10.973 1.00 0.00 C ATOM 1162 NH1 ARG A 74 4.556 9.088 -11.254 1.00 0.00 N ATOM 1163 NH2 ARG A 74 4.020 6.939 -11.704 1.00 0.00 N ATOM 0 H ARG A 74 1.241 10.397 -6.359 1.00 0.00 H new ATOM 0 HA ARG A 74 3.472 12.386 -6.543 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.517 10.489 -7.710 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.787 9.883 -6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.898 8.966 -7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.222 9.913 -8.848 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.618 8.515 -8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.476 7.340 -7.970 1.00 0.00 H new ATOM 0 HE ARG A 74 2.058 7.841 -10.115 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.444 9.925 -10.682 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.200 9.093 -12.045 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.489 6.096 -11.484 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.664 6.944 -12.495 1.00 0.00 H new ATOM 1177 N ASN A 75 1.154 12.036 -8.731 1.00 0.00 N ATOM 1178 CA ASN A 75 0.657 12.589 -10.023 1.00 0.00 C ATOM 1179 C ASN A 75 0.057 13.975 -9.782 1.00 0.00 C ATOM 1180 O ASN A 75 -0.412 14.629 -10.691 1.00 0.00 O ATOM 1181 CB ASN A 75 -0.418 11.611 -10.499 1.00 0.00 C ATOM 1182 CG ASN A 75 -0.638 11.784 -12.003 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -0.543 10.835 -12.755 1.00 0.00 O ATOM 1184 ND2 ASN A 75 -0.929 12.965 -12.475 1.00 0.00 N ATOM 0 H ASN A 75 0.463 11.522 -8.184 1.00 0.00 H new ATOM 0 HA ASN A 75 1.449 12.697 -10.764 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.115 10.587 -10.281 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.350 11.789 -9.962 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.077 13.092 -13.476 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.009 13.761 -11.843 1.00 0.00 H new ATOM 1191 N SER A 76 0.076 14.424 -8.551 1.00 0.00 N ATOM 1192 CA SER A 76 -0.478 15.766 -8.216 1.00 0.00 C ATOM 1193 C SER A 76 -2.007 15.735 -8.236 1.00 0.00 C ATOM 1194 O SER A 76 -2.650 16.747 -8.436 1.00 0.00 O ATOM 1195 CB SER A 76 0.061 16.715 -9.289 1.00 0.00 C ATOM 1196 OG SER A 76 0.687 17.828 -8.662 1.00 0.00 O ATOM 0 H SER A 76 0.457 13.909 -7.757 1.00 0.00 H new ATOM 0 HA SER A 76 -0.184 16.086 -7.216 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.775 16.193 -9.927 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.751 17.055 -9.932 1.00 0.00 H new ATOM 0 HG SER A 76 1.035 18.437 -9.347 1.00 0.00 H new ATOM 1202 N GLU A 77 -2.605 14.590 -8.026 1.00 0.00 N ATOM 1203 CA GLU A 77 -4.091 14.540 -8.036 1.00 0.00 C ATOM 1204 C GLU A 77 -4.631 14.573 -6.606 1.00 0.00 C ATOM 1205 O GLU A 77 -5.668 15.147 -6.338 1.00 0.00 O ATOM 1206 CB GLU A 77 -4.443 13.240 -8.752 1.00 0.00 C ATOM 1207 CG GLU A 77 -4.148 13.391 -10.244 1.00 0.00 C ATOM 1208 CD GLU A 77 -5.016 14.508 -10.827 1.00 0.00 C ATOM 1209 OE1 GLU A 77 -4.598 15.653 -10.760 1.00 0.00 O ATOM 1210 OE2 GLU A 77 -6.084 14.201 -11.330 1.00 0.00 O ATOM 0 H GLU A 77 -2.134 13.702 -7.851 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.537 15.396 -8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.865 12.414 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.495 13.001 -8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.093 13.620 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.348 12.453 -10.762 1.00 0.00 H new ATOM 1217 N ILE A 78 -3.929 13.985 -5.686 1.00 0.00 N ATOM 1218 CA ILE A 78 -4.400 14.014 -4.262 1.00 0.00 C ATOM 1219 C ILE A 78 -3.223 14.155 -3.303 1.00 0.00 C ATOM 1220 O ILE A 78 -2.083 14.253 -3.706 1.00 0.00 O ATOM 1221 CB ILE A 78 -5.091 12.678 -4.013 1.00 0.00 C ATOM 1222 CG1 ILE A 78 -4.157 11.553 -4.434 1.00 0.00 C ATOM 1223 CG2 ILE A 78 -6.384 12.603 -4.827 1.00 0.00 C ATOM 1224 CD1 ILE A 78 -3.563 10.864 -3.212 1.00 0.00 C ATOM 0 H ILE A 78 -3.054 13.486 -5.847 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.067 14.860 -4.097 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.333 12.582 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.702 10.828 -5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.357 11.951 -5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.873 11.646 -4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.049 13.413 -4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.152 12.696 -5.888 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.898 10.063 -3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.000 11.589 -2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.365 10.447 -2.603 1.00 0.00 H new ATOM 1236 N LYS A 79 -3.505 14.158 -2.031 1.00 0.00 N ATOM 1237 CA LYS A 79 -2.432 14.282 -1.018 1.00 0.00 C ATOM 1238 C LYS A 79 -2.891 13.626 0.287 1.00 0.00 C ATOM 1239 O LYS A 79 -4.062 13.630 0.606 1.00 0.00 O ATOM 1240 CB LYS A 79 -2.254 15.788 -0.831 1.00 0.00 C ATOM 1241 CG LYS A 79 -1.536 16.368 -2.051 1.00 0.00 C ATOM 1242 CD LYS A 79 -0.164 15.699 -2.223 1.00 0.00 C ATOM 1243 CE LYS A 79 0.430 15.360 -0.852 1.00 0.00 C ATOM 1244 NZ LYS A 79 1.695 14.639 -1.149 1.00 0.00 N ATOM 0 H LYS A 79 -4.448 14.078 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.502 13.797 -1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.225 16.267 -0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.679 15.988 0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.139 16.213 -2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.412 17.444 -1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.265 14.792 -2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.508 16.364 -2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.617 16.262 -0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.251 14.739 -0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.152 14.358 -0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.487 13.791 -1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.333 15.263 -1.684 1.00 0.00 H new ATOM 1258 N ILE A 80 -1.993 13.060 1.048 1.00 0.00 N ATOM 1259 CA ILE A 80 -2.424 12.415 2.316 1.00 0.00 C ATOM 1260 C ILE A 80 -3.017 13.459 3.247 1.00 0.00 C ATOM 1261 O ILE A 80 -2.330 14.162 3.962 1.00 0.00 O ATOM 1262 CB ILE A 80 -1.169 11.797 2.895 1.00 0.00 C ATOM 1263 CG1 ILE A 80 -0.944 10.437 2.240 1.00 0.00 C ATOM 1264 CG2 ILE A 80 -1.314 11.617 4.411 1.00 0.00 C ATOM 1265 CD1 ILE A 80 -0.971 10.585 0.717 1.00 0.00 C ATOM 0 H ILE A 80 -0.994 13.017 0.848 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.196 11.660 2.165 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.321 12.453 2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.013 10.024 2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.715 9.737 2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.404 11.172 4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.480 12.588 4.878 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.161 10.964 4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.810 9.611 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.939 10.979 0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.183 11.270 0.404 1.00 0.00 H new ATOM 1277 N THR A 81 -4.297 13.548 3.220 1.00 0.00 N ATOM 1278 CA THR A 81 -5.027 14.525 4.073 1.00 0.00 C ATOM 1279 C THR A 81 -5.312 13.916 5.442 1.00 0.00 C ATOM 1280 O THR A 81 -6.129 14.413 6.193 1.00 0.00 O ATOM 1281 CB THR A 81 -6.338 14.749 3.325 1.00 0.00 C ATOM 1282 OG1 THR A 81 -7.127 13.570 3.407 1.00 0.00 O ATOM 1283 CG2 THR A 81 -6.043 15.065 1.859 1.00 0.00 C ATOM 0 H THR A 81 -4.897 12.973 2.629 1.00 0.00 H new ATOM 0 HA THR A 81 -4.465 15.444 4.241 1.00 0.00 H new ATOM 0 HB THR A 81 -6.877 15.584 3.771 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.919 13.667 2.839 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.980 15.225 1.326 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.432 15.965 1.797 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.506 14.230 1.408 1.00 0.00 H new ATOM 1291 N SER A 82 -4.673 12.816 5.753 1.00 0.00 N ATOM 1292 CA SER A 82 -4.920 12.123 7.056 1.00 0.00 C ATOM 1293 C SER A 82 -6.230 11.332 6.969 1.00 0.00 C ATOM 1294 O SER A 82 -6.520 10.492 7.798 1.00 0.00 O ATOM 1295 CB SER A 82 -5.009 13.222 8.118 1.00 0.00 C ATOM 1296 OG SER A 82 -4.207 14.327 7.719 1.00 0.00 O ATOM 0 H SER A 82 -3.983 12.363 5.153 1.00 0.00 H new ATOM 0 HA SER A 82 -4.127 11.418 7.304 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.045 13.537 8.246 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.670 12.841 9.081 1.00 0.00 H new ATOM 0 HG SER A 82 -4.781 15.034 7.357 1.00 0.00 H new ATOM 1302 N ASP A 83 -7.006 11.575 5.946 1.00 0.00 N ATOM 1303 CA ASP A 83 -8.277 10.831 5.761 1.00 0.00 C ATOM 1304 C ASP A 83 -8.097 9.880 4.590 1.00 0.00 C ATOM 1305 O ASP A 83 -8.485 8.731 4.644 1.00 0.00 O ATOM 1306 CB ASP A 83 -9.327 11.893 5.438 1.00 0.00 C ATOM 1307 CG ASP A 83 -9.994 12.358 6.733 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -9.783 11.716 7.748 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -10.706 13.348 6.686 1.00 0.00 O ATOM 0 H ASP A 83 -6.807 12.267 5.224 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.570 10.250 6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.861 12.739 4.932 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.074 11.486 4.757 1.00 0.00 H new ATOM 1314 N LEU A 84 -7.465 10.336 3.540 1.00 0.00 N ATOM 1315 CA LEU A 84 -7.225 9.423 2.396 1.00 0.00 C ATOM 1316 C LEU A 84 -6.453 8.233 2.945 1.00 0.00 C ATOM 1317 O LEU A 84 -6.559 7.120 2.472 1.00 0.00 O ATOM 1318 CB LEU A 84 -6.384 10.220 1.394 1.00 0.00 C ATOM 1319 CG LEU A 84 -7.101 11.525 1.020 1.00 0.00 C ATOM 1320 CD1 LEU A 84 -6.564 12.034 -0.318 1.00 0.00 C ATOM 1321 CD2 LEU A 84 -8.610 11.281 0.896 1.00 0.00 C ATOM 0 H LEU A 84 -7.112 11.286 3.430 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.133 9.064 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.408 10.443 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.209 9.623 0.499 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.920 12.265 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.072 12.961 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.493 12.219 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.744 11.286 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.109 12.213 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.796 10.537 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.000 10.919 1.848 1.00 0.00 H new ATOM 1333 N LEU A 85 -5.703 8.479 3.983 1.00 0.00 N ATOM 1334 CA LEU A 85 -4.935 7.391 4.637 1.00 0.00 C ATOM 1335 C LEU A 85 -5.895 6.545 5.467 1.00 0.00 C ATOM 1336 O LEU A 85 -5.949 5.342 5.346 1.00 0.00 O ATOM 1337 CB LEU A 85 -3.952 8.105 5.564 1.00 0.00 C ATOM 1338 CG LEU A 85 -2.813 8.717 4.754 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.694 9.145 5.707 1.00 0.00 C ATOM 1340 CD2 LEU A 85 -2.271 7.683 3.764 1.00 0.00 C ATOM 0 H LEU A 85 -5.590 9.399 4.408 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.428 6.742 3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.469 8.884 6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.552 7.401 6.293 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.181 9.583 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.876 9.583 5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.079 9.881 6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.329 8.275 6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.458 8.123 3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.900 6.816 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.068 7.373 3.089 1.00 0.00 H new ATOM 1352 N ASP A 86 -6.659 7.180 6.311 1.00 0.00 N ATOM 1353 CA ASP A 86 -7.627 6.424 7.158 1.00 0.00 C ATOM 1354 C ASP A 86 -8.392 5.412 6.300 1.00 0.00 C ATOM 1355 O ASP A 86 -8.827 4.380 6.773 1.00 0.00 O ATOM 1356 CB ASP A 86 -8.580 7.481 7.719 1.00 0.00 C ATOM 1357 CG ASP A 86 -9.234 6.955 8.998 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -8.546 6.304 9.768 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -10.411 7.214 9.189 1.00 0.00 O ATOM 0 H ASP A 86 -6.656 8.190 6.452 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.133 5.864 7.952 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.035 8.401 7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.344 7.724 6.981 1.00 0.00 H new ATOM 1364 N LYS A 87 -8.545 5.694 5.034 1.00 0.00 N ATOM 1365 CA LYS A 87 -9.273 4.744 4.145 1.00 0.00 C ATOM 1366 C LYS A 87 -8.279 3.758 3.543 1.00 0.00 C ATOM 1367 O LYS A 87 -8.460 2.559 3.605 1.00 0.00 O ATOM 1368 CB LYS A 87 -9.906 5.616 3.062 1.00 0.00 C ATOM 1369 CG LYS A 87 -10.717 6.736 3.720 1.00 0.00 C ATOM 1370 CD LYS A 87 -11.719 6.130 4.705 1.00 0.00 C ATOM 1371 CE LYS A 87 -12.774 7.176 5.073 1.00 0.00 C ATOM 1372 NZ LYS A 87 -13.995 6.767 4.327 1.00 0.00 N ATOM 0 H LYS A 87 -8.199 6.538 4.578 1.00 0.00 H new ATOM 0 HA LYS A 87 -10.028 4.161 4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.132 6.040 2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.551 5.012 2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.051 7.425 4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.242 7.314 2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.197 5.257 4.262 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.202 5.789 5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.955 7.193 6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.454 8.178 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.765 7.437 4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.794 6.766 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.280 5.812 4.625 1.00 0.00 H new ATOM 1386 N ILE A 88 -7.213 4.255 2.989 1.00 0.00 N ATOM 1387 CA ILE A 88 -6.194 3.343 2.418 1.00 0.00 C ATOM 1388 C ILE A 88 -5.625 2.496 3.553 1.00 0.00 C ATOM 1389 O ILE A 88 -5.238 1.357 3.371 1.00 0.00 O ATOM 1390 CB ILE A 88 -5.134 4.268 1.831 1.00 0.00 C ATOM 1391 CG1 ILE A 88 -5.630 4.819 0.500 1.00 0.00 C ATOM 1392 CG2 ILE A 88 -3.833 3.501 1.631 1.00 0.00 C ATOM 1393 CD1 ILE A 88 -5.245 6.293 0.393 1.00 0.00 C ATOM 0 H ILE A 88 -7.005 5.250 2.908 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.582 2.663 1.660 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.949 5.095 2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.194 4.256 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.712 4.707 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.079 4.167 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.485 3.118 2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.003 2.669 0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.597 6.693 -0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.702 6.849 1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.161 6.391 0.448 1.00 0.00 H new ATOM 1405 N PHE A 89 -5.607 3.048 4.733 1.00 0.00 N ATOM 1406 CA PHE A 89 -5.104 2.292 5.910 1.00 0.00 C ATOM 1407 C PHE A 89 -6.112 1.207 6.250 1.00 0.00 C ATOM 1408 O PHE A 89 -5.766 0.102 6.619 1.00 0.00 O ATOM 1409 CB PHE A 89 -4.998 3.316 7.038 1.00 0.00 C ATOM 1410 CG PHE A 89 -4.522 2.631 8.295 1.00 0.00 C ATOM 1411 CD1 PHE A 89 -3.232 2.087 8.353 1.00 0.00 C ATOM 1412 CD2 PHE A 89 -5.372 2.533 9.401 1.00 0.00 C ATOM 1413 CE1 PHE A 89 -2.795 1.448 9.519 1.00 0.00 C ATOM 1414 CE2 PHE A 89 -4.935 1.894 10.568 1.00 0.00 C ATOM 1415 CZ PHE A 89 -3.646 1.352 10.626 1.00 0.00 C ATOM 0 H PHE A 89 -5.922 3.997 4.933 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.141 1.812 5.734 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.305 4.110 6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.967 3.784 7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.575 2.161 7.499 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.367 2.951 9.355 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.801 1.029 9.565 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.592 1.820 11.422 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.308 0.859 11.526 1.00 0.00 H new ATOM 1425 N ALA A 90 -7.358 1.512 6.074 1.00 0.00 N ATOM 1426 CA ALA A 90 -8.415 0.502 6.324 1.00 0.00 C ATOM 1427 C ALA A 90 -8.240 -0.573 5.267 1.00 0.00 C ATOM 1428 O ALA A 90 -8.450 -1.749 5.499 1.00 0.00 O ATOM 1429 CB ALA A 90 -9.740 1.243 6.141 1.00 0.00 C ATOM 0 H ALA A 90 -7.695 2.424 5.765 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.376 0.043 7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.568 0.555 6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.799 2.065 6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.799 1.638 5.127 1.00 0.00 H new ATOM 1435 N GLY A 91 -7.805 -0.162 4.109 1.00 0.00 N ATOM 1436 CA GLY A 91 -7.550 -1.133 3.024 1.00 0.00 C ATOM 1437 C GLY A 91 -6.365 -1.986 3.454 1.00 0.00 C ATOM 1438 O GLY A 91 -6.383 -3.197 3.356 1.00 0.00 O ATOM 0 H GLY A 91 -7.616 0.812 3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.428 -1.754 2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.334 -0.617 2.089 1.00 0.00 H new ATOM 1442 N VAL A 92 -5.342 -1.356 3.970 1.00 0.00 N ATOM 1443 CA VAL A 92 -4.164 -2.119 4.452 1.00 0.00 C ATOM 1444 C VAL A 92 -4.609 -2.987 5.631 1.00 0.00 C ATOM 1445 O VAL A 92 -3.993 -3.980 5.963 1.00 0.00 O ATOM 1446 CB VAL A 92 -3.150 -1.052 4.892 1.00 0.00 C ATOM 1447 CG1 VAL A 92 -2.291 -1.575 6.050 1.00 0.00 C ATOM 1448 CG2 VAL A 92 -2.237 -0.705 3.715 1.00 0.00 C ATOM 0 H VAL A 92 -5.276 -0.344 4.077 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.728 -2.777 3.701 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.694 -0.167 5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.578 -0.807 6.350 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.933 -1.824 6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.751 -2.466 5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.516 0.052 4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.706 -1.600 3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.837 -0.319 2.891 1.00 0.00 H new ATOM 1458 N ASP A 93 -5.690 -2.609 6.259 1.00 0.00 N ATOM 1459 CA ASP A 93 -6.205 -3.396 7.412 1.00 0.00 C ATOM 1460 C ASP A 93 -6.765 -4.725 6.911 1.00 0.00 C ATOM 1461 O ASP A 93 -6.751 -5.719 7.610 1.00 0.00 O ATOM 1462 CB ASP A 93 -7.312 -2.530 8.016 1.00 0.00 C ATOM 1463 CG ASP A 93 -7.376 -2.765 9.526 1.00 0.00 C ATOM 1464 OD1 ASP A 93 -6.397 -2.476 10.193 1.00 0.00 O ATOM 1465 OD2 ASP A 93 -8.406 -3.227 9.991 1.00 0.00 O ATOM 0 H ASP A 93 -6.240 -1.784 6.020 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.434 -3.629 8.146 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.119 -1.477 7.809 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.270 -2.774 7.558 1.00 0.00 H new ATOM 1470 N MET A 94 -7.243 -4.755 5.698 1.00 0.00 N ATOM 1471 CA MET A 94 -7.783 -6.026 5.150 1.00 0.00 C ATOM 1472 C MET A 94 -6.621 -6.948 4.785 1.00 0.00 C ATOM 1473 O MET A 94 -6.581 -8.092 5.187 1.00 0.00 O ATOM 1474 CB MET A 94 -8.572 -5.624 3.904 1.00 0.00 C ATOM 1475 CG MET A 94 -10.021 -5.333 4.295 1.00 0.00 C ATOM 1476 SD MET A 94 -10.396 -3.591 3.974 1.00 0.00 S ATOM 1477 CE MET A 94 -10.532 -3.722 2.175 1.00 0.00 C ATOM 0 H MET A 94 -7.282 -3.956 5.066 1.00 0.00 H new ATOM 0 HA MET A 94 -8.414 -6.560 5.861 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.124 -4.743 3.444 1.00 0.00 H new ATOM 0 HB3 MET A 94 -8.537 -6.423 3.164 1.00 0.00 H new ATOM 0 HG2 MET A 94 -10.697 -5.972 3.727 1.00 0.00 H new ATOM 0 HG3 MET A 94 -10.177 -5.561 5.349 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.694 -2.732 1.749 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.613 -4.145 1.770 1.00 0.00 H new ATOM 0 HE3 MET A 94 -11.372 -4.368 1.920 1.00 0.00 H new ATOM 1487 N ILE A 95 -5.664 -6.453 4.044 1.00 0.00 N ATOM 1488 CA ILE A 95 -4.503 -7.287 3.674 1.00 0.00 C ATOM 1489 C ILE A 95 -3.825 -7.805 4.932 1.00 0.00 C ATOM 1490 O ILE A 95 -3.275 -8.883 4.949 1.00 0.00 O ATOM 1491 CB ILE A 95 -3.591 -6.340 2.913 1.00 0.00 C ATOM 1492 CG1 ILE A 95 -3.275 -5.120 3.780 1.00 0.00 C ATOM 1493 CG2 ILE A 95 -4.295 -5.893 1.636 1.00 0.00 C ATOM 1494 CD1 ILE A 95 -2.135 -4.321 3.141 1.00 0.00 C ATOM 0 H ILE A 95 -5.645 -5.500 3.681 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.771 -8.160 3.079 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.660 -6.849 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.161 -4.493 3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -2.993 -5.437 4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.648 -5.213 1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.518 -6.764 1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.224 -5.383 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.909 -3.452 3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.249 -4.951 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.435 -3.992 2.146 1.00 0.00 H new ATOM 1506 N THR A 96 -3.873 -7.054 5.992 1.00 0.00 N ATOM 1507 CA THR A 96 -3.244 -7.521 7.252 1.00 0.00 C ATOM 1508 C THR A 96 -4.139 -8.579 7.897 1.00 0.00 C ATOM 1509 O THR A 96 -3.671 -9.497 8.538 1.00 0.00 O ATOM 1510 CB THR A 96 -3.152 -6.278 8.138 1.00 0.00 C ATOM 1511 OG1 THR A 96 -2.262 -5.343 7.545 1.00 0.00 O ATOM 1512 CG2 THR A 96 -2.637 -6.670 9.524 1.00 0.00 C ATOM 0 H THR A 96 -4.320 -6.138 6.040 1.00 0.00 H new ATOM 0 HA THR A 96 -2.264 -7.971 7.095 1.00 0.00 H new ATOM 0 HB THR A 96 -4.140 -5.828 8.237 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.776 -4.668 7.055 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.573 -5.782 10.153 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.322 -7.387 9.977 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.649 -7.121 9.431 1.00 0.00 H new ATOM 1520 N ARG A 97 -5.429 -8.451 7.731 1.00 0.00 N ATOM 1521 CA ARG A 97 -6.358 -9.449 8.338 1.00 0.00 C ATOM 1522 C ARG A 97 -6.647 -10.604 7.374 1.00 0.00 C ATOM 1523 O ARG A 97 -6.820 -11.730 7.793 1.00 0.00 O ATOM 1524 CB ARG A 97 -7.638 -8.672 8.642 1.00 0.00 C ATOM 1525 CG ARG A 97 -7.363 -7.649 9.747 1.00 0.00 C ATOM 1526 CD ARG A 97 -8.275 -6.436 9.558 1.00 0.00 C ATOM 1527 NE ARG A 97 -9.265 -6.525 10.668 1.00 0.00 N ATOM 1528 CZ ARG A 97 -10.516 -6.230 10.451 1.00 0.00 C ATOM 1529 NH1 ARG A 97 -10.826 -5.269 9.625 1.00 0.00 N ATOM 1530 NH2 ARG A 97 -11.458 -6.890 11.067 1.00 0.00 N ATOM 0 H ARG A 97 -5.878 -7.702 7.204 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.927 -9.901 9.231 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.991 -8.166 7.743 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.427 -9.357 8.954 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.536 -8.099 10.725 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.318 -7.340 9.719 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.710 -5.505 9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.768 -6.460 8.586 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.964 -6.817 11.598 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -10.089 -4.748 9.149 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.805 -5.038 9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -11.215 -7.637 11.718 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -12.437 -6.659 10.897 1.00 0.00 H new ATOM 1544 N MET A 98 -6.699 -10.356 6.091 1.00 0.00 N ATOM 1545 CA MET A 98 -6.974 -11.482 5.155 1.00 0.00 C ATOM 1546 C MET A 98 -5.703 -12.301 4.989 1.00 0.00 C ATOM 1547 O MET A 98 -5.740 -13.478 4.693 1.00 0.00 O ATOM 1548 CB MET A 98 -7.430 -10.856 3.830 1.00 0.00 C ATOM 1549 CG MET A 98 -6.322 -9.989 3.233 1.00 0.00 C ATOM 1550 SD MET A 98 -7.079 -8.643 2.281 1.00 0.00 S ATOM 1551 CE MET A 98 -7.994 -9.670 1.107 1.00 0.00 C ATOM 0 H MET A 98 -6.566 -9.442 5.659 1.00 0.00 H new ATOM 0 HA MET A 98 -7.750 -12.153 5.524 1.00 0.00 H new ATOM 0 HB2 MET A 98 -7.703 -11.642 3.126 1.00 0.00 H new ATOM 0 HB3 MET A 98 -8.322 -10.252 3.995 1.00 0.00 H new ATOM 0 HG2 MET A 98 -5.693 -9.583 4.025 1.00 0.00 H new ATOM 0 HG3 MET A 98 -5.678 -10.590 2.590 1.00 0.00 H new ATOM 0 HE1 MET A 98 -7.923 -9.235 0.110 1.00 0.00 H new ATOM 0 HE2 MET A 98 -7.571 -10.674 1.096 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.041 -9.721 1.407 1.00 0.00 H new ATOM 1561 N VAL A 99 -4.574 -11.695 5.214 1.00 0.00 N ATOM 1562 CA VAL A 99 -3.308 -12.453 5.110 1.00 0.00 C ATOM 1563 C VAL A 99 -3.098 -13.236 6.407 1.00 0.00 C ATOM 1564 O VAL A 99 -2.623 -14.355 6.396 1.00 0.00 O ATOM 1565 CB VAL A 99 -2.220 -11.394 4.936 1.00 0.00 C ATOM 1566 CG1 VAL A 99 -0.849 -12.002 5.242 1.00 0.00 C ATOM 1567 CG2 VAL A 99 -2.236 -10.873 3.499 1.00 0.00 C ATOM 0 H VAL A 99 -4.477 -10.711 5.464 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.301 -13.165 4.284 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.410 -10.571 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.078 -11.242 5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.834 -12.368 6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.658 -12.830 4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.459 -10.118 3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.051 -11.698 2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.209 -10.431 3.283 1.00 0.00 H new ATOM 1577 N ASP A 100 -3.475 -12.669 7.528 1.00 0.00 N ATOM 1578 CA ASP A 100 -3.319 -13.408 8.809 1.00 0.00 C ATOM 1579 C ASP A 100 -4.217 -14.632 8.752 1.00 0.00 C ATOM 1580 O ASP A 100 -3.871 -15.702 9.211 1.00 0.00 O ATOM 1581 CB ASP A 100 -3.779 -12.439 9.899 1.00 0.00 C ATOM 1582 CG ASP A 100 -2.679 -12.305 10.953 1.00 0.00 C ATOM 1583 OD1 ASP A 100 -2.377 -13.297 11.596 1.00 0.00 O ATOM 1584 OD2 ASP A 100 -2.157 -11.212 11.099 1.00 0.00 O ATOM 0 H ASP A 100 -3.879 -11.736 7.606 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.299 -13.741 9.000 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.003 -11.465 9.465 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.698 -12.801 10.360 1.00 0.00 H new ATOM 1589 N LYS A 101 -5.360 -14.483 8.146 1.00 0.00 N ATOM 1590 CA LYS A 101 -6.280 -15.634 8.003 1.00 0.00 C ATOM 1591 C LYS A 101 -5.726 -16.548 6.905 1.00 0.00 C ATOM 1592 O LYS A 101 -6.055 -17.710 6.817 1.00 0.00 O ATOM 1593 CB LYS A 101 -7.631 -15.016 7.614 1.00 0.00 C ATOM 1594 CG LYS A 101 -7.817 -15.077 6.100 1.00 0.00 C ATOM 1595 CD LYS A 101 -8.400 -16.429 5.719 1.00 0.00 C ATOM 1596 CE LYS A 101 -9.926 -16.325 5.584 1.00 0.00 C ATOM 1597 NZ LYS A 101 -10.169 -15.472 4.388 1.00 0.00 N ATOM 0 H LYS A 101 -5.695 -13.608 7.743 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.387 -16.237 8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.441 -15.551 8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.678 -13.981 7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.480 -14.277 5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.861 -14.926 5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.966 -16.769 4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.143 -17.171 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.376 -17.310 5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.369 -15.883 6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.749 -14.652 4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.260 -15.142 4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.669 -16.025 3.663 1.00 0.00 H new ATOM 1611 N ILE A 102 -4.868 -16.014 6.076 1.00 0.00 N ATOM 1612 CA ILE A 102 -4.255 -16.827 4.992 1.00 0.00 C ATOM 1613 C ILE A 102 -3.212 -17.735 5.635 1.00 0.00 C ATOM 1614 O ILE A 102 -3.205 -18.935 5.442 1.00 0.00 O ATOM 1615 CB ILE A 102 -3.635 -15.785 4.050 1.00 0.00 C ATOM 1616 CG1 ILE A 102 -4.528 -15.628 2.819 1.00 0.00 C ATOM 1617 CG2 ILE A 102 -2.234 -16.202 3.605 1.00 0.00 C ATOM 1618 CD1 ILE A 102 -4.374 -14.217 2.243 1.00 0.00 C ATOM 0 H ILE A 102 -4.565 -15.041 6.106 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.944 -17.470 4.444 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.556 -14.840 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.259 -16.369 2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.569 -15.809 3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.823 -15.443 2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.590 -16.305 4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.288 -17.155 3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.012 -14.110 1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.665 -13.483 2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.335 -14.052 1.958 1.00 0.00 H new ATOM 1630 N VAL A 103 -2.364 -17.166 6.442 1.00 0.00 N ATOM 1631 CA VAL A 103 -1.356 -17.987 7.152 1.00 0.00 C ATOM 1632 C VAL A 103 -2.107 -18.929 8.089 1.00 0.00 C ATOM 1633 O VAL A 103 -1.638 -19.991 8.448 1.00 0.00 O ATOM 1634 CB VAL A 103 -0.522 -16.981 7.943 1.00 0.00 C ATOM 1635 CG1 VAL A 103 0.245 -17.708 9.049 1.00 0.00 C ATOM 1636 CG2 VAL A 103 0.468 -16.288 7.005 1.00 0.00 C ATOM 0 H VAL A 103 -2.328 -16.166 6.639 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.725 -18.586 6.495 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.181 -16.236 8.389 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.840 -16.989 9.613 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.461 -18.199 9.719 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.904 -18.454 8.605 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.063 -15.570 7.570 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.126 -17.032 6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.079 -15.767 6.219 1.00 0.00 H new ATOM 1646 N SER A 104 -3.291 -18.529 8.472 1.00 0.00 N ATOM 1647 CA SER A 104 -4.126 -19.368 9.374 1.00 0.00 C ATOM 1648 C SER A 104 -4.917 -20.377 8.563 1.00 0.00 C ATOM 1649 O SER A 104 -4.789 -21.576 8.716 1.00 0.00 O ATOM 1650 CB SER A 104 -5.084 -18.381 10.036 1.00 0.00 C ATOM 1651 OG SER A 104 -5.493 -18.894 11.297 1.00 0.00 O ATOM 0 H SER A 104 -3.718 -17.646 8.193 1.00 0.00 H new ATOM 0 HA SER A 104 -3.527 -19.924 10.095 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.596 -17.415 10.165 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.953 -18.217 9.398 1.00 0.00 H new ATOM 0 HG SER A 104 -6.107 -18.261 11.724 1.00 0.00 H new ATOM 1657 N GLU A 105 -5.741 -19.878 7.708 1.00 0.00 N ATOM 1658 CA GLU A 105 -6.585 -20.755 6.856 1.00 0.00 C ATOM 1659 C GLU A 105 -6.010 -20.796 5.432 1.00 0.00 C ATOM 1660 O GLU A 105 -5.910 -21.841 4.820 1.00 0.00 O ATOM 1661 CB GLU A 105 -7.980 -20.098 6.920 1.00 0.00 C ATOM 1662 CG GLU A 105 -8.487 -19.707 5.530 1.00 0.00 C ATOM 1663 CD GLU A 105 -10.014 -19.612 5.554 1.00 0.00 C ATOM 1664 OE1 GLU A 105 -10.592 -19.940 6.577 1.00 0.00 O ATOM 1665 OE2 GLU A 105 -10.580 -19.214 4.549 1.00 0.00 O ATOM 0 H GLU A 105 -5.874 -18.878 7.554 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.625 -21.794 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.686 -20.787 7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.936 -19.212 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.057 -18.752 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.169 -20.445 4.794 1.00 0.00 H new ATOM 1672 N GLY A 106 -5.624 -19.664 4.909 1.00 0.00 N ATOM 1673 CA GLY A 106 -5.050 -19.636 3.531 1.00 0.00 C ATOM 1674 C GLY A 106 -6.033 -18.969 2.562 1.00 0.00 C ATOM 1675 O GLY A 106 -6.110 -19.321 1.403 1.00 0.00 O ATOM 0 H GLY A 106 -5.681 -18.758 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -4.105 -19.092 3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.833 -20.651 3.199 1.00 0.00 H new ATOM 1679 N SER A 107 -6.784 -18.007 3.026 1.00 0.00 N ATOM 1680 CA SER A 107 -7.759 -17.320 2.124 1.00 0.00 C ATOM 1681 C SER A 107 -7.727 -15.810 2.329 1.00 0.00 C ATOM 1682 O SER A 107 -7.909 -15.307 3.417 1.00 0.00 O ATOM 1683 CB SER A 107 -9.125 -17.873 2.511 1.00 0.00 C ATOM 1684 OG SER A 107 -9.155 -19.273 2.269 1.00 0.00 O ATOM 0 H SER A 107 -6.767 -17.666 3.987 1.00 0.00 H new ATOM 0 HA SER A 107 -7.523 -17.498 1.075 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.326 -17.671 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.906 -17.377 1.936 1.00 0.00 H new ATOM 0 HG SER A 107 -9.659 -19.718 2.982 1.00 0.00 H new ATOM 1690 N ASP A 108 -7.527 -15.073 1.283 1.00 0.00 N ATOM 1691 CA ASP A 108 -7.519 -13.596 1.428 1.00 0.00 C ATOM 1692 C ASP A 108 -8.962 -13.087 1.402 1.00 0.00 C ATOM 1693 O ASP A 108 -9.215 -11.903 1.325 1.00 0.00 O ATOM 1694 CB ASP A 108 -6.723 -13.069 0.227 1.00 0.00 C ATOM 1695 CG ASP A 108 -7.614 -13.035 -1.019 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -8.362 -12.081 -1.161 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -7.532 -13.960 -1.809 1.00 0.00 O ATOM 0 H ASP A 108 -7.369 -15.423 0.338 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.071 -13.263 2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.345 -12.069 0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.857 -13.705 0.047 1.00 0.00 H new ATOM 1702 N ASP A 109 -9.915 -13.980 1.464 1.00 0.00 N ATOM 1703 CA ASP A 109 -11.340 -13.540 1.438 1.00 0.00 C ATOM 1704 C ASP A 109 -11.837 -13.264 2.861 1.00 0.00 C ATOM 1705 O ASP A 109 -12.084 -14.172 3.630 1.00 0.00 O ATOM 1706 CB ASP A 109 -12.107 -14.707 0.818 1.00 0.00 C ATOM 1707 CG ASP A 109 -13.609 -14.484 1.000 1.00 0.00 C ATOM 1708 OD1 ASP A 109 -14.175 -13.730 0.225 1.00 0.00 O ATOM 1709 OD2 ASP A 109 -14.170 -15.072 1.911 1.00 0.00 O ATOM 0 H ASP A 109 -9.770 -14.987 1.531 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.475 -12.619 0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.867 -14.792 -0.242 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.808 -15.644 1.289 1.00 0.00 H new ATOM 1714 N ILE A 110 -11.987 -12.017 3.214 1.00 0.00 N ATOM 1715 CA ILE A 110 -12.471 -11.685 4.585 1.00 0.00 C ATOM 1716 C ILE A 110 -13.648 -10.710 4.508 1.00 0.00 C ATOM 1717 O ILE A 110 -13.802 -9.840 5.343 1.00 0.00 O ATOM 1718 CB ILE A 110 -11.278 -11.026 5.277 1.00 0.00 C ATOM 1719 CG1 ILE A 110 -10.754 -9.878 4.409 1.00 0.00 C ATOM 1720 CG2 ILE A 110 -10.169 -12.060 5.481 1.00 0.00 C ATOM 1721 CD1 ILE A 110 -9.913 -8.931 5.266 1.00 0.00 C ATOM 0 H ILE A 110 -11.796 -11.215 2.614 1.00 0.00 H new ATOM 0 HA ILE A 110 -12.821 -12.566 5.123 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.591 -10.635 6.245 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -10.154 -10.273 3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.588 -9.337 3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.319 -11.589 5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -10.542 -12.876 6.100 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.855 -12.453 4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -9.541 -8.114 4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.527 -8.526 6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.071 -9.477 5.692 1.00 0.00 H new ATOM 1733 N GLY A 111 -14.478 -10.845 3.510 1.00 0.00 N ATOM 1734 CA GLY A 111 -15.640 -9.924 3.378 1.00 0.00 C ATOM 1735 C GLY A 111 -15.191 -8.630 2.699 1.00 0.00 C ATOM 1736 O GLY A 111 -15.985 -7.751 2.425 1.00 0.00 O ATOM 0 H GLY A 111 -14.401 -11.554 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -16.429 -10.398 2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -16.058 -9.705 4.361 1.00 0.00 H new ATOM 1740 N GLU A 112 -13.921 -8.506 2.423 1.00 0.00 N ATOM 1741 CA GLU A 112 -13.420 -7.271 1.759 1.00 0.00 C ATOM 1742 C GLU A 112 -14.270 -6.952 0.527 1.00 0.00 C ATOM 1743 O GLU A 112 -15.216 -7.647 0.214 1.00 0.00 O ATOM 1744 CB GLU A 112 -11.988 -7.605 1.349 1.00 0.00 C ATOM 1745 CG GLU A 112 -12.012 -8.753 0.344 1.00 0.00 C ATOM 1746 CD GLU A 112 -10.628 -8.915 -0.286 1.00 0.00 C ATOM 1747 OE1 GLU A 112 -9.801 -8.042 -0.081 1.00 0.00 O ATOM 1748 OE2 GLU A 112 -10.419 -9.909 -0.961 1.00 0.00 O ATOM 0 H GLU A 112 -13.209 -9.207 2.629 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.468 -6.399 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.509 -6.730 0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.401 -7.884 2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.307 -9.678 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.754 -8.556 -0.430 1.00 0.00 H new ATOM 1755 N ASN A 113 -13.939 -5.904 -0.175 1.00 0.00 N ATOM 1756 CA ASN A 113 -14.726 -5.538 -1.386 1.00 0.00 C ATOM 1757 C ASN A 113 -13.907 -4.623 -2.296 1.00 0.00 C ATOM 1758 O ASN A 113 -14.444 -3.740 -2.918 1.00 0.00 O ATOM 1759 CB ASN A 113 -15.953 -4.797 -0.852 1.00 0.00 C ATOM 1760 CG ASN A 113 -17.201 -5.249 -1.616 1.00 0.00 C ATOM 1761 OD1 ASN A 113 -17.100 -5.569 -2.877 1.00 0.00 O flip ATOM 1762 ND2 ASN A 113 -18.279 -5.309 -1.059 1.00 0.00 N flip ATOM 0 H ASN A 113 -13.157 -5.285 0.038 1.00 0.00 H new ATOM 0 HA ASN A 113 -14.999 -6.412 -1.977 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -16.075 -4.995 0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -15.817 -3.721 -0.962 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -18.358 -5.059 -0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -19.105 -5.609 -1.577 1.00 0.00 H new ATOM 1769 N ILE A 114 -12.609 -4.823 -2.348 1.00 0.00 N ATOM 1770 CA ILE A 114 -11.715 -3.952 -3.205 1.00 0.00 C ATOM 1771 C ILE A 114 -12.492 -3.288 -4.340 1.00 0.00 C ATOM 1772 O ILE A 114 -12.573 -2.084 -4.416 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.627 -4.843 -3.827 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -10.455 -6.153 -3.057 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -9.309 -4.078 -3.821 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -11.626 -7.074 -3.389 1.00 0.00 C ATOM 0 H ILE A 114 -12.121 -5.555 -1.833 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.290 -3.171 -2.574 1.00 0.00 H new ATOM 0 HB ILE A 114 -10.928 -5.094 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -9.512 -6.629 -3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -10.419 -5.959 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.527 -4.698 -4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -9.417 -3.163 -4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.040 -3.825 -2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -11.516 -8.013 -2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -12.560 -6.594 -3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -11.639 -7.274 -4.460 1.00 0.00 H new ATOM 1788 N ASP A 115 -13.054 -4.058 -5.232 1.00 0.00 N ATOM 1789 CA ASP A 115 -13.816 -3.444 -6.358 1.00 0.00 C ATOM 1790 C ASP A 115 -14.655 -2.290 -5.829 1.00 0.00 C ATOM 1791 O ASP A 115 -14.683 -1.206 -6.378 1.00 0.00 O ATOM 1792 CB ASP A 115 -14.708 -4.563 -6.897 1.00 0.00 C ATOM 1793 CG ASP A 115 -13.949 -5.356 -7.962 1.00 0.00 C ATOM 1794 OD1 ASP A 115 -13.591 -4.766 -8.969 1.00 0.00 O ATOM 1795 OD2 ASP A 115 -13.739 -6.539 -7.754 1.00 0.00 O ATOM 0 H ASP A 115 -13.020 -5.077 -5.231 1.00 0.00 H new ATOM 0 HA ASP A 115 -13.168 -3.044 -7.137 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -15.011 -5.223 -6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -15.619 -4.142 -7.323 1.00 0.00 H new ATOM 1800 N VAL A 116 -15.319 -2.532 -4.752 1.00 0.00 N ATOM 1801 CA VAL A 116 -16.164 -1.485 -4.116 1.00 0.00 C ATOM 1802 C VAL A 116 -15.367 -0.722 -3.059 1.00 0.00 C ATOM 1803 O VAL A 116 -15.606 0.441 -2.800 1.00 0.00 O ATOM 1804 CB VAL A 116 -17.318 -2.255 -3.476 1.00 0.00 C ATOM 1805 CG1 VAL A 116 -18.095 -1.336 -2.532 1.00 0.00 C ATOM 1806 CG2 VAL A 116 -18.255 -2.767 -4.573 1.00 0.00 C ATOM 0 H VAL A 116 -15.318 -3.430 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.514 -0.742 -4.833 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.919 -3.097 -2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.917 -1.891 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -17.429 -0.970 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -18.494 -0.491 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -19.080 -3.317 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.649 -1.922 -5.138 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.704 -3.427 -5.243 1.00 0.00 H new ATOM 1816 N PHE A 117 -14.424 -1.371 -2.455 1.00 0.00 N ATOM 1817 CA PHE A 117 -13.599 -0.695 -1.410 1.00 0.00 C ATOM 1818 C PHE A 117 -12.604 0.243 -2.086 1.00 0.00 C ATOM 1819 O PHE A 117 -12.124 1.195 -1.503 1.00 0.00 O ATOM 1820 CB PHE A 117 -12.867 -1.821 -0.679 1.00 0.00 C ATOM 1821 CG PHE A 117 -13.280 -1.835 0.775 1.00 0.00 C ATOM 1822 CD1 PHE A 117 -12.842 -0.823 1.638 1.00 0.00 C ATOM 1823 CD2 PHE A 117 -14.100 -2.861 1.258 1.00 0.00 C ATOM 1824 CE1 PHE A 117 -13.223 -0.839 2.985 1.00 0.00 C ATOM 1825 CE2 PHE A 117 -14.482 -2.875 2.606 1.00 0.00 C ATOM 1826 CZ PHE A 117 -14.044 -1.866 3.468 1.00 0.00 C ATOM 0 H PHE A 117 -14.182 -2.345 -2.635 1.00 0.00 H new ATOM 0 HA PHE A 117 -14.198 -0.100 -0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -13.099 -2.780 -1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.789 -1.680 -0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -12.210 -0.030 1.265 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -14.438 -3.641 0.592 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -12.884 -0.060 3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -15.115 -3.666 2.979 1.00 0.00 H new ATOM 0 HZ PHE A 117 -14.339 -1.878 4.507 1.00 0.00 H new ATOM 1836 N SER A 118 -12.317 -0.015 -3.327 1.00 0.00 N ATOM 1837 CA SER A 118 -11.389 0.844 -4.082 1.00 0.00 C ATOM 1838 C SER A 118 -12.208 1.918 -4.754 1.00 0.00 C ATOM 1839 O SER A 118 -11.860 3.079 -4.761 1.00 0.00 O ATOM 1840 CB SER A 118 -10.750 -0.082 -5.115 1.00 0.00 C ATOM 1841 OG SER A 118 -9.962 -1.062 -4.451 1.00 0.00 O ATOM 0 H SER A 118 -12.697 -0.801 -3.854 1.00 0.00 H new ATOM 0 HA SER A 118 -10.628 1.326 -3.468 1.00 0.00 H new ATOM 0 HB2 SER A 118 -11.523 -0.565 -5.713 1.00 0.00 H new ATOM 0 HB3 SER A 118 -10.130 0.494 -5.801 1.00 0.00 H new ATOM 0 HG SER A 118 -10.120 -1.010 -3.485 1.00 0.00 H new ATOM 1847 N ASP A 119 -13.321 1.520 -5.282 1.00 0.00 N ATOM 1848 CA ASP A 119 -14.229 2.494 -5.942 1.00 0.00 C ATOM 1849 C ASP A 119 -14.738 3.458 -4.890 1.00 0.00 C ATOM 1850 O ASP A 119 -15.038 4.603 -5.156 1.00 0.00 O ATOM 1851 CB ASP A 119 -15.374 1.663 -6.525 1.00 0.00 C ATOM 1852 CG ASP A 119 -15.121 1.414 -8.014 1.00 0.00 C ATOM 1853 OD1 ASP A 119 -14.010 1.041 -8.353 1.00 0.00 O ATOM 1854 OD2 ASP A 119 -16.043 1.602 -8.790 1.00 0.00 O ATOM 0 H ASP A 119 -13.647 0.554 -5.287 1.00 0.00 H new ATOM 0 HA ASP A 119 -13.740 3.075 -6.724 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -15.454 0.714 -5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.321 2.185 -6.389 1.00 0.00 H new ATOM 1859 N THR A 120 -14.791 2.993 -3.684 1.00 0.00 N ATOM 1860 CA THR A 120 -15.230 3.855 -2.560 1.00 0.00 C ATOM 1861 C THR A 120 -14.141 4.890 -2.331 1.00 0.00 C ATOM 1862 O THR A 120 -14.371 6.081 -2.328 1.00 0.00 O ATOM 1863 CB THR A 120 -15.382 2.890 -1.372 1.00 0.00 C ATOM 1864 OG1 THR A 120 -16.757 2.578 -1.198 1.00 0.00 O ATOM 1865 CG2 THR A 120 -14.839 3.519 -0.084 1.00 0.00 C ATOM 0 H THR A 120 -14.546 2.038 -3.422 1.00 0.00 H new ATOM 0 HA THR A 120 -16.163 4.393 -2.729 1.00 0.00 H new ATOM 0 HB THR A 120 -14.812 1.985 -1.583 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.959 1.729 -1.643 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.958 2.817 0.742 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.782 3.754 -0.211 1.00 0.00 H new ATOM 0 HG23 THR A 120 -15.390 4.433 0.135 1.00 0.00 H new ATOM 1873 N ILE A 121 -12.951 4.415 -2.180 1.00 0.00 N ATOM 1874 CA ILE A 121 -11.792 5.316 -1.992 1.00 0.00 C ATOM 1875 C ILE A 121 -11.626 6.155 -3.263 1.00 0.00 C ATOM 1876 O ILE A 121 -11.341 7.336 -3.214 1.00 0.00 O ATOM 1877 CB ILE A 121 -10.612 4.355 -1.755 1.00 0.00 C ATOM 1878 CG1 ILE A 121 -10.023 4.626 -0.374 1.00 0.00 C ATOM 1879 CG2 ILE A 121 -9.521 4.529 -2.817 1.00 0.00 C ATOM 1880 CD1 ILE A 121 -9.237 5.938 -0.401 1.00 0.00 C ATOM 0 H ILE A 121 -12.724 3.421 -2.178 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.886 6.021 -1.166 1.00 0.00 H new ATOM 0 HB ILE A 121 -10.983 3.332 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -10.820 4.683 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -9.370 3.805 -0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.705 3.835 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -9.938 4.325 -3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.143 5.551 -2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -8.817 6.131 0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -8.431 5.864 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -9.903 6.755 -0.678 1.00 0.00 H new ATOM 1892 N LYS A 122 -11.832 5.547 -4.400 1.00 0.00 N ATOM 1893 CA LYS A 122 -11.722 6.287 -5.676 1.00 0.00 C ATOM 1894 C LYS A 122 -12.851 7.303 -5.745 1.00 0.00 C ATOM 1895 O LYS A 122 -12.697 8.397 -6.250 1.00 0.00 O ATOM 1896 CB LYS A 122 -11.879 5.211 -6.749 1.00 0.00 C ATOM 1897 CG LYS A 122 -10.513 4.935 -7.364 1.00 0.00 C ATOM 1898 CD LYS A 122 -10.120 3.481 -7.118 1.00 0.00 C ATOM 1899 CE LYS A 122 -8.880 3.439 -6.221 1.00 0.00 C ATOM 1900 NZ LYS A 122 -7.846 2.740 -7.030 1.00 0.00 N ATOM 0 H LYS A 122 -12.074 4.560 -4.493 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.786 6.833 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.289 4.300 -6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.580 5.541 -7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -10.538 5.138 -8.435 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.767 5.601 -6.930 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -10.943 2.944 -6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -9.915 2.982 -8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.556 4.443 -5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -9.082 2.906 -5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.920 2.834 -6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -8.092 1.733 -7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -7.802 3.164 -7.979 1.00 0.00 H new ATOM 1914 N SER A 123 -13.979 6.950 -5.207 1.00 0.00 N ATOM 1915 CA SER A 123 -15.125 7.890 -5.196 1.00 0.00 C ATOM 1916 C SER A 123 -15.046 8.753 -3.944 1.00 0.00 C ATOM 1917 O SER A 123 -15.742 9.737 -3.799 1.00 0.00 O ATOM 1918 CB SER A 123 -16.359 7.006 -5.154 1.00 0.00 C ATOM 1919 OG SER A 123 -16.620 6.496 -6.456 1.00 0.00 O ATOM 0 H SER A 123 -14.157 6.045 -4.772 1.00 0.00 H new ATOM 0 HA SER A 123 -15.138 8.555 -6.059 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.208 6.185 -4.453 1.00 0.00 H new ATOM 0 HB3 SER A 123 -17.216 7.576 -4.796 1.00 0.00 H new ATOM 0 HG SER A 123 -16.196 5.618 -6.555 1.00 0.00 H new ATOM 1925 N PHE A 124 -14.181 8.390 -3.046 1.00 0.00 N ATOM 1926 CA PHE A 124 -14.018 9.179 -1.798 1.00 0.00 C ATOM 1927 C PHE A 124 -13.270 10.469 -2.113 1.00 0.00 C ATOM 1928 O PHE A 124 -13.065 11.310 -1.261 1.00 0.00 O ATOM 1929 CB PHE A 124 -13.192 8.284 -0.871 1.00 0.00 C ATOM 1930 CG PHE A 124 -13.090 8.919 0.496 1.00 0.00 C ATOM 1931 CD1 PHE A 124 -14.247 9.340 1.164 1.00 0.00 C ATOM 1932 CD2 PHE A 124 -11.836 9.082 1.098 1.00 0.00 C ATOM 1933 CE1 PHE A 124 -14.149 9.923 2.432 1.00 0.00 C ATOM 1934 CE2 PHE A 124 -11.739 9.667 2.366 1.00 0.00 C ATOM 1935 CZ PHE A 124 -12.896 10.087 3.033 1.00 0.00 C ATOM 0 H PHE A 124 -13.574 7.574 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 124 -14.968 9.457 -1.343 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -13.656 7.301 -0.792 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -12.196 8.134 -1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -15.214 9.215 0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -10.944 8.756 0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -15.041 10.247 2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -10.772 9.794 2.830 1.00 0.00 H new ATOM 0 HZ PHE A 124 -12.821 10.538 4.012 1.00 0.00 H new ATOM 1945 N ALA A 125 -12.863 10.628 -3.341 1.00 0.00 N ATOM 1946 CA ALA A 125 -12.126 11.863 -3.730 1.00 0.00 C ATOM 1947 C ALA A 125 -12.516 12.297 -5.147 1.00 0.00 C ATOM 1948 O ALA A 125 -12.613 13.473 -5.440 1.00 0.00 O ATOM 1949 CB ALA A 125 -10.648 11.477 -3.679 1.00 0.00 C ATOM 0 H ALA A 125 -13.009 9.955 -4.094 1.00 0.00 H new ATOM 0 HA ALA A 125 -12.354 12.700 -3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -10.038 12.337 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -10.390 11.157 -2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -10.461 10.661 -4.377 1.00 0.00 H new ATOM 1955 N SER A 126 -12.735 11.362 -6.029 1.00 0.00 N ATOM 1956 CA SER A 126 -13.112 11.728 -7.424 1.00 0.00 C ATOM 1957 C SER A 126 -14.637 11.799 -7.563 1.00 0.00 C ATOM 1958 O SER A 126 -15.162 12.555 -8.354 1.00 0.00 O ATOM 1959 CB SER A 126 -12.540 10.606 -8.294 1.00 0.00 C ATOM 1960 OG SER A 126 -13.602 9.908 -8.932 1.00 0.00 O ATOM 0 H SER A 126 -12.669 10.361 -5.845 1.00 0.00 H new ATOM 0 HA SER A 126 -12.726 12.705 -7.714 1.00 0.00 H new ATOM 0 HB2 SER A 126 -11.863 11.021 -9.041 1.00 0.00 H new ATOM 0 HB3 SER A 126 -11.956 9.919 -7.681 1.00 0.00 H new ATOM 0 HG SER A 126 -13.234 9.191 -9.490 1.00 0.00 H new ATOM 1966 N SER A 127 -15.349 11.013 -6.805 1.00 0.00 N ATOM 1967 CA SER A 127 -16.837 11.035 -6.901 1.00 0.00 C ATOM 1968 C SER A 127 -17.456 11.354 -5.538 1.00 0.00 C ATOM 1969 O SER A 127 -18.639 11.170 -5.326 1.00 0.00 O ATOM 1970 CB SER A 127 -17.223 9.626 -7.348 1.00 0.00 C ATOM 1971 OG SER A 127 -18.593 9.611 -7.724 1.00 0.00 O ATOM 0 H SER A 127 -14.967 10.357 -6.124 1.00 0.00 H new ATOM 0 HA SER A 127 -17.193 11.797 -7.594 1.00 0.00 H new ATOM 0 HB2 SER A 127 -16.600 9.315 -8.187 1.00 0.00 H new ATOM 0 HB3 SER A 127 -17.048 8.915 -6.540 1.00 0.00 H new ATOM 0 HG SER A 127 -19.113 10.146 -7.088 1.00 0.00 H new ATOM 1977 N GLY A 128 -16.670 11.829 -4.611 1.00 0.00 N ATOM 1978 CA GLY A 128 -17.222 12.155 -3.266 1.00 0.00 C ATOM 1979 C GLY A 128 -16.885 13.603 -2.909 1.00 0.00 C ATOM 1980 O GLY A 128 -17.121 14.051 -1.804 1.00 0.00 O ATOM 0 H GLY A 128 -15.672 12.005 -4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -18.302 12.011 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -16.807 11.480 -2.518 1.00 0.00 H new ATOM 1984 N LYS A 129 -16.335 14.340 -3.836 1.00 0.00 N ATOM 1985 CA LYS A 129 -15.987 15.761 -3.548 1.00 0.00 C ATOM 1986 C LYS A 129 -17.260 16.576 -3.314 1.00 0.00 C ATOM 1987 O LYS A 129 -17.833 17.127 -4.232 1.00 0.00 O ATOM 1988 CB LYS A 129 -15.257 16.248 -4.800 1.00 0.00 C ATOM 1989 CG LYS A 129 -13.752 16.282 -4.532 1.00 0.00 C ATOM 1990 CD LYS A 129 -13.006 16.524 -5.845 1.00 0.00 C ATOM 1991 CE LYS A 129 -12.405 17.931 -5.839 1.00 0.00 C ATOM 1992 NZ LYS A 129 -12.213 18.273 -7.275 1.00 0.00 N ATOM 0 H LYS A 129 -16.112 14.020 -4.779 1.00 0.00 H new ATOM 0 HA LYS A 129 -15.374 15.867 -2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -15.473 15.587 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -15.610 17.241 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -13.517 17.070 -3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -13.430 15.341 -4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -12.218 15.781 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -13.687 16.412 -6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -13.070 18.642 -5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -11.459 17.954 -5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -11.803 19.226 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -11.570 17.583 -7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -13.131 18.250 -7.763 1.00 0.00 H new ATOM 2006 N GLU A 130 -17.708 16.654 -2.091 1.00 0.00 N ATOM 2007 CA GLU A 130 -18.947 17.431 -1.798 1.00 0.00 C ATOM 2008 C GLU A 130 -18.815 18.149 -0.453 1.00 0.00 C ATOM 2009 O GLU A 130 -18.570 17.536 0.567 1.00 0.00 O ATOM 2010 CB GLU A 130 -20.062 16.386 -1.743 1.00 0.00 C ATOM 2011 CG GLU A 130 -21.423 17.086 -1.747 1.00 0.00 C ATOM 2012 CD GLU A 130 -21.712 17.636 -3.144 1.00 0.00 C ATOM 2013 OE1 GLU A 130 -21.713 16.852 -4.080 1.00 0.00 O ATOM 2014 OE2 GLU A 130 -21.927 18.832 -3.256 1.00 0.00 O ATOM 0 H GLU A 130 -17.270 16.214 -1.282 1.00 0.00 H new ATOM 0 HA GLU A 130 -19.143 18.198 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -19.986 15.713 -2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -19.958 15.776 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -22.204 16.386 -1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -21.429 17.896 -1.018 1.00 0.00 H new ATOM 2021 N LYS A 131 -18.978 19.441 -0.447 1.00 0.00 N ATOM 2022 CA LYS A 131 -18.867 20.205 0.828 1.00 0.00 C ATOM 2023 C LYS A 131 -19.999 19.810 1.778 1.00 0.00 C ATOM 2024 O LYS A 131 -20.735 18.877 1.530 1.00 0.00 O ATOM 2025 CB LYS A 131 -18.998 21.670 0.416 1.00 0.00 C ATOM 2026 CG LYS A 131 -17.704 22.129 -0.257 1.00 0.00 C ATOM 2027 CD LYS A 131 -17.252 23.455 0.357 1.00 0.00 C ATOM 2028 CE LYS A 131 -16.118 23.196 1.351 1.00 0.00 C ATOM 2029 NZ LYS A 131 -14.867 23.444 0.580 1.00 0.00 N ATOM 0 H LYS A 131 -19.184 20.004 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 131 -17.931 20.009 1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -19.839 21.793 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -19.204 22.287 1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -16.928 21.374 -0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -17.861 22.247 -1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -16.916 24.135 -0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -18.089 23.939 0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -16.189 23.860 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -16.152 22.175 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -14.043 23.286 1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -14.824 22.793 -0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -14.860 24.426 0.236 1.00 0.00 H new ATOM 2043 N LEU A 132 -20.147 20.518 2.866 1.00 0.00 N ATOM 2044 CA LEU A 132 -21.235 20.183 3.829 1.00 0.00 C ATOM 2045 C LEU A 132 -21.123 18.722 4.273 1.00 0.00 C ATOM 2046 O LEU A 132 -20.248 17.996 3.843 1.00 0.00 O ATOM 2047 CB LEU A 132 -22.532 20.409 3.052 1.00 0.00 C ATOM 2048 CG LEU A 132 -23.446 21.347 3.841 1.00 0.00 C ATOM 2049 CD1 LEU A 132 -23.030 22.798 3.586 1.00 0.00 C ATOM 2050 CD2 LEU A 132 -24.894 21.143 3.389 1.00 0.00 C ATOM 0 H LEU A 132 -19.563 21.312 3.129 1.00 0.00 H new ATOM 0 HA LEU A 132 -21.187 20.791 4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -22.312 20.837 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -23.034 19.457 2.878 1.00 0.00 H new ATOM 0 HG LEU A 132 -23.363 21.128 4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -23.681 23.467 4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -21.998 22.942 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -23.114 23.019 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -25.548 21.811 3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -24.977 21.363 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -25.189 20.109 3.570 1.00 0.00 H new ATOM 2062 N GLU A 133 -22.005 18.286 5.130 1.00 0.00 N ATOM 2063 CA GLU A 133 -21.954 16.871 5.604 1.00 0.00 C ATOM 2064 C GLU A 133 -20.516 16.479 5.953 1.00 0.00 C ATOM 2065 O GLU A 133 -19.771 17.348 6.374 1.00 0.00 O ATOM 2066 CB GLU A 133 -22.466 16.041 4.426 1.00 0.00 C ATOM 2067 CG GLU A 133 -23.969 16.274 4.251 1.00 0.00 C ATOM 2068 CD GLU A 133 -24.721 15.669 5.438 1.00 0.00 C ATOM 2069 OE1 GLU A 133 -24.495 14.504 5.725 1.00 0.00 O ATOM 2070 OE2 GLU A 133 -25.509 16.379 6.040 1.00 0.00 O ATOM 0 H GLU A 133 -22.760 18.848 5.524 1.00 0.00 H new ATOM 0 HA GLU A 133 -22.550 16.715 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -21.936 16.318 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -22.269 14.983 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -24.177 17.342 4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -24.312 15.821 3.321 1.00 0.00 H new TER 2077 GLU A 133