USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1058 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 123 HIS : no HE2:sc= -1.57! C(o=-2.2!,f=-9.6!) USER MOD Set 1.2: A 127 ASN : amide:sc= -0.664 X(o=-2.2,f=-2.6) USER MOD Set 2.1: A 21 ASN : amide:sc= -0.602 K(o=-0.61,f=-10!) USER MOD Set 2.2: A 115 TYR OH : rot 15:sc=-0.00811 USER MOD Set 3.1: A 88 HIS : no HE2:sc= -3.34! C(o=-2.7!,f=-21!) USER MOD Set 3.2: A 106 TYR OH : rot 180:sc= 0.667 USER MOD Set 4.1: A 30 CYS SG : rot 180:sc= -2.96! USER MOD Set 4.2: A 81 LYS NZ :NH3+ -157:sc= -1.24! (180deg=-4.26!) USER MOD Set 5.1: A 63 LYS NZ :NH3+ -149:sc= 0.974 (180deg=0.762) USER MOD Set 5.2: A 71 HIS : no HD1:sc= -6.99! C(o=-4.4!,f=-10!) USER MOD Set 5.3: A 73 TYR OH : rot -43:sc= 1.6 USER MOD Set 6.1: A 60 SER OG : rot 149:sc= 0.0963! USER MOD Set 6.2: A 72 HIS : no HD1:sc= -5.87! C(o=-5.8!,f=-21!) USER MOD Single : A 1 GLY N :NH3+ -178:sc= 0.774 (180deg=0.771) USER MOD Single : A 3 MET CE :methyl -178:sc= -0.453 (180deg=-0.572) USER MOD Single : A 5 SER OG : rot 180:sc= 0.012 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00618 USER MOD Single : A 9 GLN : amide:sc= -5.68! C(o=-5.7!,f=-8.1!) USER MOD Single : A 12 ASN : amide:sc= -1.66! K(o=-1.7!,f=-0.77) USER MOD Single : A 16 SER OG : rot 69:sc= 0.553 USER MOD Single : A 17 MET CE :methyl 172:sc= -0.951 (180deg=-1.07) USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= 0.167 (180deg=0.134) USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.117) USER MOD Single : A 26 SER OG : rot 69:sc= 1.04 USER MOD Single : A 29 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.19) USER MOD Single : A 35 THR OG1 : rot -61:sc= 0.591 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= 0.237! (180deg=-1.66!) USER MOD Single : A 43 TYR OH : rot 130:sc= 0.691 USER MOD Single : A 48 THR OG1 : rot 123:sc= -6.86! USER MOD Single : A 49 ASN : amide:sc= -0.0599 K(o=-0.06,f=-0.73) USER MOD Single : A 51 LYS NZ :NH3+ -136:sc= 0.447 (180deg=-1.61!) USER MOD Single : A 53 THR OG1 : rot 63:sc= 1.14 USER MOD Single : A 55 ASN : amide:sc= -7.28! K(o=-7.3!,f=-0.91) USER MOD Single : A 61 THR OG1 : rot 12:sc= -0.405 USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= -0.672 (180deg=-1.32) USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= 0.244 (180deg=-2.51!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 74 MET CE :methyl 173:sc= -1.4 (180deg=-1.51) USER MOD Single : A 77 HIS : no HD1:sc= -5.44! C(o=-5.4!,f=-6.6!) USER MOD Single : A 80 SER OG : rot -179:sc= -1.19! USER MOD Single : A 82 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0679) USER MOD Single : A 83 LYS NZ :NH3+ 160:sc= 0.12 (180deg=0.0392) USER MOD Single : A 92 LYS NZ :NH3+ -165:sc= 0.204 (180deg=-0.438!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -104:sc= 0.73 (180deg=-1.55!) USER MOD Single : A 96 GLN : amide:sc= -2.32! C(o=-2.3!,f=-3.8!) USER MOD Single : A 97 ASN : amide:sc= -0.589! C(o=-0.59!,f=-6.6!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -3.89 K(o=-3.9,f=-12!) USER MOD Single : A 104 ASN : amide:sc= -0.823 K(o=-0.82,f=0.19) USER MOD Single : A 105 MET CE :methyl 145:sc= -2.94 (180deg=-6.41!) USER MOD Single : A 113 LYS NZ :NH3+ -162:sc= -0.606 (180deg=-1.45!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0.123! USER MOD Single : A 119 LYS NZ :NH3+ -155:sc= -0.162 (180deg=-1.34!) USER MOD Single : A 121 LYS NZ :NH3+ -154:sc= -0.273 (180deg=-1.28!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.008 0.586 20.605 1.00 0.00 N ATOM 2 CA GLY A 1 8.600 0.245 19.250 1.00 0.00 C ATOM 3 C GLY A 1 7.098 0.404 19.098 1.00 0.00 C ATOM 4 O GLY A 1 6.394 0.702 20.063 1.00 0.00 O ATOM 0 H1 GLY A 1 10.042 0.506 20.687 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.718 1.561 20.820 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.556 -0.065 21.278 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.115 0.887 18.535 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.889 -0.781 19.023 1.00 0.00 H new ATOM 8 N ALA A 2 6.602 0.182 17.896 1.00 0.00 N ATOM 9 CA ALA A 2 5.177 0.264 17.642 1.00 0.00 C ATOM 10 C ALA A 2 4.501 -0.993 18.155 1.00 0.00 C ATOM 11 O ALA A 2 4.326 -1.961 17.413 1.00 0.00 O ATOM 12 CB ALA A 2 4.908 0.441 16.147 1.00 0.00 C ATOM 0 H ALA A 2 7.165 -0.057 17.080 1.00 0.00 H new ATOM 0 HA ALA A 2 4.770 1.130 18.164 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.833 0.501 15.975 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.383 1.358 15.798 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.316 -0.409 15.601 1.00 0.00 H new ATOM 18 N MET A 3 4.194 -0.987 19.444 1.00 0.00 N ATOM 19 CA MET A 3 3.599 -2.130 20.138 1.00 0.00 C ATOM 20 C MET A 3 2.766 -2.999 19.205 1.00 0.00 C ATOM 21 O MET A 3 3.120 -4.148 18.944 1.00 0.00 O ATOM 22 CB MET A 3 2.741 -1.627 21.299 1.00 0.00 C ATOM 23 CG MET A 3 3.650 -1.020 22.371 1.00 0.00 C ATOM 24 SD MET A 3 2.924 0.518 22.976 1.00 0.00 S ATOM 25 CE MET A 3 3.608 1.598 21.688 1.00 0.00 C ATOM 0 H MET A 3 4.351 -0.181 20.049 1.00 0.00 H new ATOM 0 HA MET A 3 4.409 -2.753 20.516 1.00 0.00 H new ATOM 0 HB2 MET A 3 2.029 -0.882 20.944 1.00 0.00 H new ATOM 0 HB3 MET A 3 2.160 -2.448 21.720 1.00 0.00 H new ATOM 0 HG2 MET A 3 3.778 -1.723 23.194 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.640 -0.829 21.958 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.313 2.629 21.883 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.696 1.525 21.692 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.227 1.289 20.714 1.00 0.00 H new ATOM 35 N GLY A 4 1.664 -2.451 18.712 1.00 0.00 N ATOM 36 CA GLY A 4 0.788 -3.192 17.811 1.00 0.00 C ATOM 37 C GLY A 4 0.323 -2.328 16.650 1.00 0.00 C ATOM 38 O GLY A 4 -0.089 -2.841 15.611 1.00 0.00 O ATOM 0 H GLY A 4 1.355 -1.501 18.918 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.314 -4.066 17.427 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.078 -3.558 18.363 1.00 0.00 H new ATOM 42 N SER A 5 0.357 -1.022 16.834 1.00 0.00 N ATOM 43 CA SER A 5 -0.131 -0.093 15.821 1.00 0.00 C ATOM 44 C SER A 5 0.855 0.063 14.661 1.00 0.00 C ATOM 45 O SER A 5 0.622 0.850 13.763 1.00 0.00 O ATOM 46 CB SER A 5 -0.421 1.270 16.445 1.00 0.00 C ATOM 47 OG SER A 5 -0.825 1.082 17.796 1.00 0.00 O ATOM 0 H SER A 5 0.718 -0.575 17.677 1.00 0.00 H new ATOM 0 HA SER A 5 -1.053 -0.511 15.417 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.467 1.901 16.401 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.204 1.782 15.885 1.00 0.00 H new ATOM 0 HG SER A 5 -1.012 1.952 18.206 1.00 0.00 H new ATOM 53 N GLY A 6 1.991 -0.619 14.729 1.00 0.00 N ATOM 54 CA GLY A 6 3.043 -0.448 13.717 1.00 0.00 C ATOM 55 C GLY A 6 2.485 -0.582 12.308 1.00 0.00 C ATOM 56 O GLY A 6 2.503 0.377 11.533 1.00 0.00 O ATOM 0 H GLY A 6 2.213 -1.291 15.464 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.507 0.531 13.834 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.824 -1.192 13.873 1.00 0.00 H new ATOM 60 N ASP A 7 1.898 -1.731 12.011 1.00 0.00 N ATOM 61 CA ASP A 7 1.281 -1.956 10.704 1.00 0.00 C ATOM 62 C ASP A 7 0.162 -0.974 10.469 1.00 0.00 C ATOM 63 O ASP A 7 0.033 -0.407 9.393 1.00 0.00 O ATOM 64 CB ASP A 7 0.741 -3.387 10.596 1.00 0.00 C ATOM 65 CG ASP A 7 0.061 -3.825 11.892 1.00 0.00 C ATOM 66 OD1 ASP A 7 -0.647 -3.026 12.489 1.00 0.00 O ATOM 67 OD2 ASP A 7 0.254 -4.958 12.272 1.00 0.00 O ATOM 0 H ASP A 7 1.834 -2.522 12.652 1.00 0.00 H new ATOM 0 HA ASP A 7 2.048 -1.810 9.943 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.030 -3.448 9.772 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.558 -4.069 10.363 1.00 0.00 H new ATOM 72 N THR A 8 -0.595 -0.734 11.503 1.00 0.00 N ATOM 73 CA THR A 8 -1.688 0.203 11.446 1.00 0.00 C ATOM 74 C THR A 8 -1.152 1.595 11.119 1.00 0.00 C ATOM 75 O THR A 8 -1.645 2.273 10.209 1.00 0.00 O ATOM 76 CB THR A 8 -2.388 0.193 12.801 1.00 0.00 C ATOM 77 OG1 THR A 8 -2.647 -1.161 13.176 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.705 0.966 12.726 1.00 0.00 C ATOM 0 H THR A 8 -0.474 -1.182 12.411 1.00 0.00 H new ATOM 0 HA THR A 8 -2.398 -0.075 10.667 1.00 0.00 H new ATOM 0 HB THR A 8 -1.747 0.671 13.542 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.096 -1.179 14.047 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.193 0.950 13.701 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.505 1.998 12.437 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.357 0.502 11.986 1.00 0.00 H new ATOM 86 N GLN A 9 -0.095 1.979 11.806 1.00 0.00 N ATOM 87 CA GLN A 9 0.549 3.248 11.559 1.00 0.00 C ATOM 88 C GLN A 9 1.144 3.284 10.174 1.00 0.00 C ATOM 89 O GLN A 9 0.913 4.233 9.418 1.00 0.00 O ATOM 90 CB GLN A 9 1.631 3.512 12.601 1.00 0.00 C ATOM 91 CG GLN A 9 1.037 4.282 13.778 1.00 0.00 C ATOM 92 CD GLN A 9 1.113 5.776 13.501 1.00 0.00 C ATOM 93 OE1 GLN A 9 1.878 6.482 14.153 1.00 0.00 O ATOM 94 NE2 GLN A 9 0.429 6.305 12.527 1.00 0.00 N ATOM 0 H GLN A 9 0.337 1.424 12.545 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.206 4.030 11.633 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.053 2.569 12.947 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.446 4.082 12.156 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.001 3.983 13.935 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.580 4.043 14.693 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.209 5.727 11.979 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.531 7.297 12.312 1.00 0.00 H new ATOM 103 N LEU A 10 1.858 2.227 9.810 1.00 0.00 N ATOM 104 CA LEU A 10 2.425 2.170 8.484 1.00 0.00 C ATOM 105 C LEU A 10 1.294 2.164 7.480 1.00 0.00 C ATOM 106 O LEU A 10 1.342 2.864 6.470 1.00 0.00 O ATOM 107 CB LEU A 10 3.302 0.933 8.286 1.00 0.00 C ATOM 108 CG LEU A 10 4.529 0.990 9.213 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.506 -0.099 8.818 1.00 0.00 C ATOM 110 CD2 LEU A 10 5.218 2.355 9.150 1.00 0.00 C ATOM 0 H LEU A 10 2.051 1.420 10.403 1.00 0.00 H new ATOM 0 HA LEU A 10 3.064 3.042 8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.724 0.033 8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.626 0.872 7.247 1.00 0.00 H new ATOM 0 HG LEU A 10 4.192 0.835 10.238 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.377 -0.062 9.473 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.023 -1.072 8.911 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.822 0.052 7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.080 2.359 9.817 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.548 2.549 8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.517 3.131 9.458 1.00 0.00 H new ATOM 122 N PHE A 11 0.242 1.419 7.803 1.00 0.00 N ATOM 123 CA PHE A 11 -0.945 1.375 6.971 1.00 0.00 C ATOM 124 C PHE A 11 -1.558 2.746 6.823 1.00 0.00 C ATOM 125 O PHE A 11 -1.799 3.195 5.705 1.00 0.00 O ATOM 126 CB PHE A 11 -1.981 0.421 7.563 1.00 0.00 C ATOM 127 CG PHE A 11 -3.311 0.624 6.866 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.521 0.125 5.576 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.330 1.333 7.519 1.00 0.00 C ATOM 130 CE1 PHE A 11 -4.747 0.333 4.946 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.553 1.535 6.887 1.00 0.00 C ATOM 132 CZ PHE A 11 -5.762 1.038 5.603 1.00 0.00 C ATOM 0 H PHE A 11 0.192 0.837 8.639 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.642 1.017 5.987 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.650 -0.611 7.445 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.088 0.601 8.633 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.737 -0.419 5.070 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.165 1.722 8.513 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.914 -0.050 3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.339 2.077 7.392 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.711 1.197 5.112 1.00 0.00 H new ATOM 142 N ASN A 12 -1.762 3.446 7.937 1.00 0.00 N ATOM 143 CA ASN A 12 -2.336 4.776 7.833 1.00 0.00 C ATOM 144 C ASN A 12 -1.409 5.633 7.056 1.00 0.00 C ATOM 145 O ASN A 12 -1.818 6.323 6.145 1.00 0.00 O ATOM 146 CB ASN A 12 -2.576 5.422 9.195 1.00 0.00 C ATOM 147 CG ASN A 12 -3.706 4.714 9.917 1.00 0.00 C ATOM 148 OD1 ASN A 12 -4.877 4.871 9.554 1.00 0.00 O ATOM 149 ND2 ASN A 12 -3.439 3.934 10.906 1.00 0.00 N ATOM 0 H ASN A 12 -1.548 3.128 8.882 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.304 4.680 7.340 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.666 5.375 9.793 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.820 6.477 9.068 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.194 3.446 11.389 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.473 3.804 11.206 1.00 0.00 H new ATOM 156 N ARG A 13 -0.139 5.507 7.339 1.00 0.00 N ATOM 157 CA ARG A 13 0.848 6.240 6.603 1.00 0.00 C ATOM 158 C ARG A 13 0.811 5.854 5.131 1.00 0.00 C ATOM 159 O ARG A 13 0.675 6.712 4.274 1.00 0.00 O ATOM 160 CB ARG A 13 2.224 5.977 7.216 1.00 0.00 C ATOM 161 CG ARG A 13 2.360 6.773 8.527 1.00 0.00 C ATOM 162 CD ARG A 13 3.607 6.316 9.279 1.00 0.00 C ATOM 163 NE ARG A 13 4.161 7.406 10.094 1.00 0.00 N ATOM 164 CZ ARG A 13 3.795 7.649 11.346 1.00 0.00 C ATOM 165 NH1 ARG A 13 2.843 6.963 11.885 1.00 0.00 N ATOM 166 NH2 ARG A 13 4.389 8.591 12.018 1.00 0.00 N ATOM 0 H ARG A 13 0.232 4.904 8.073 1.00 0.00 H new ATOM 0 HA ARG A 13 0.635 7.307 6.663 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.351 4.912 7.410 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.008 6.269 6.517 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.424 7.840 8.311 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.475 6.626 9.147 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.360 5.469 9.919 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.358 5.971 8.569 1.00 0.00 H new ATOM 0 HE ARG A 13 4.867 8.010 9.673 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.372 6.234 11.348 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.562 7.150 12.847 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.131 9.138 11.582 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.112 8.783 12.981 1.00 0.00 H new ATOM 180 N ALA A 14 0.770 4.568 4.842 1.00 0.00 N ATOM 181 CA ALA A 14 0.655 4.137 3.454 1.00 0.00 C ATOM 182 C ALA A 14 -0.652 4.615 2.845 1.00 0.00 C ATOM 183 O ALA A 14 -0.658 5.225 1.776 1.00 0.00 O ATOM 184 CB ALA A 14 0.748 2.612 3.342 1.00 0.00 C ATOM 0 H ALA A 14 0.813 3.815 5.529 1.00 0.00 H new ATOM 0 HA ALA A 14 1.485 4.580 2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.659 2.318 2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.708 2.276 3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.057 2.155 3.917 1.00 0.00 H new ATOM 190 N VAL A 15 -1.750 4.316 3.517 1.00 0.00 N ATOM 191 CA VAL A 15 -3.060 4.664 3.018 1.00 0.00 C ATOM 192 C VAL A 15 -3.248 6.184 2.954 1.00 0.00 C ATOM 193 O VAL A 15 -3.760 6.719 1.966 1.00 0.00 O ATOM 194 CB VAL A 15 -4.157 3.977 3.874 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.644 4.887 5.001 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.334 3.557 2.990 1.00 0.00 C ATOM 0 H VAL A 15 -1.755 3.830 4.414 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.152 4.296 1.996 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.715 3.090 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.412 4.372 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.807 5.139 5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.061 5.800 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.096 3.076 3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.759 4.437 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.986 2.858 2.229 1.00 0.00 H new ATOM 206 N SER A 16 -2.801 6.883 3.985 1.00 0.00 N ATOM 207 CA SER A 16 -2.942 8.319 4.030 1.00 0.00 C ATOM 208 C SER A 16 -2.180 8.961 2.889 1.00 0.00 C ATOM 209 O SER A 16 -2.692 9.842 2.210 1.00 0.00 O ATOM 210 CB SER A 16 -2.462 8.851 5.384 1.00 0.00 C ATOM 211 OG SER A 16 -3.189 8.187 6.422 1.00 0.00 O ATOM 0 H SER A 16 -2.339 6.475 4.798 1.00 0.00 H new ATOM 0 HA SER A 16 -3.995 8.577 3.915 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.392 8.677 5.501 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.618 9.928 5.443 1.00 0.00 H new ATOM 0 HG SER A 16 -2.918 7.246 6.461 1.00 0.00 H new ATOM 217 N MET A 17 -0.964 8.496 2.660 1.00 0.00 N ATOM 218 CA MET A 17 -0.184 9.053 1.579 1.00 0.00 C ATOM 219 C MET A 17 -0.817 8.762 0.225 1.00 0.00 C ATOM 220 O MET A 17 -0.860 9.636 -0.645 1.00 0.00 O ATOM 221 CB MET A 17 1.256 8.538 1.611 1.00 0.00 C ATOM 222 CG MET A 17 1.935 8.982 2.908 1.00 0.00 C ATOM 223 SD MET A 17 3.706 8.585 2.832 1.00 0.00 S ATOM 224 CE MET A 17 3.561 6.788 3.004 1.00 0.00 C ATOM 0 H MET A 17 -0.509 7.755 3.193 1.00 0.00 H new ATOM 0 HA MET A 17 -0.167 10.134 1.721 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.265 7.450 1.539 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.808 8.919 0.752 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.798 10.053 3.054 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.476 8.482 3.761 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.535 6.327 2.840 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.209 6.546 4.007 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.852 6.408 2.269 1.00 0.00 H new ATOM 234 N VAL A 18 -1.269 7.522 0.026 1.00 0.00 N ATOM 235 CA VAL A 18 -1.839 7.131 -1.262 1.00 0.00 C ATOM 236 C VAL A 18 -3.233 7.704 -1.499 1.00 0.00 C ATOM 237 O VAL A 18 -3.525 8.189 -2.588 1.00 0.00 O ATOM 238 CB VAL A 18 -1.837 5.610 -1.458 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.403 5.088 -1.408 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.668 4.936 -0.365 1.00 0.00 C ATOM 0 H VAL A 18 -1.252 6.783 0.729 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.182 7.569 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.275 5.378 -2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.404 4.007 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.182 5.555 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.038 5.328 -0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.659 3.856 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.244 5.170 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.694 5.300 -0.411 1.00 0.00 H new ATOM 250 N GLU A 19 -4.106 7.622 -0.496 1.00 0.00 N ATOM 251 CA GLU A 19 -5.482 8.081 -0.681 1.00 0.00 C ATOM 252 C GLU A 19 -5.496 9.558 -1.002 1.00 0.00 C ATOM 253 O GLU A 19 -6.381 10.047 -1.703 1.00 0.00 O ATOM 254 CB GLU A 19 -6.295 7.887 0.593 1.00 0.00 C ATOM 255 CG GLU A 19 -6.544 6.413 0.906 1.00 0.00 C ATOM 256 CD GLU A 19 -7.289 6.312 2.233 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.461 7.338 2.884 1.00 0.00 O ATOM 258 OE2 GLU A 19 -7.699 5.232 2.577 1.00 0.00 O ATOM 0 H GLU A 19 -3.894 7.252 0.431 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.914 7.499 -1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.771 8.350 1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.251 8.401 0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.127 5.951 0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.598 5.874 0.962 1.00 0.00 H new ATOM 265 N LYS A 20 -4.631 10.284 -0.323 1.00 0.00 N ATOM 266 CA LYS A 20 -4.631 11.731 -0.388 1.00 0.00 C ATOM 267 C LYS A 20 -3.750 12.221 -1.536 1.00 0.00 C ATOM 268 O LYS A 20 -3.772 13.402 -1.889 1.00 0.00 O ATOM 269 CB LYS A 20 -4.164 12.299 0.959 1.00 0.00 C ATOM 270 CG LYS A 20 -4.929 11.580 2.100 1.00 0.00 C ATOM 271 CD LYS A 20 -6.425 11.921 2.056 1.00 0.00 C ATOM 272 CE LYS A 20 -7.269 10.627 2.036 1.00 0.00 C ATOM 273 NZ LYS A 20 -6.945 9.761 3.208 1.00 0.00 N ATOM 0 H LYS A 20 -3.913 9.891 0.285 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.643 12.085 -0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.090 12.155 1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.348 13.373 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.795 10.502 2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.513 11.874 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.693 12.525 2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.643 12.519 1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.329 10.880 2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.082 10.080 1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.548 8.914 3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.946 9.475 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.115 10.289 4.088 1.00 0.00 H new ATOM 287 N ASN A 21 -3.021 11.296 -2.147 1.00 0.00 N ATOM 288 CA ASN A 21 -2.168 11.608 -3.295 1.00 0.00 C ATOM 289 C ASN A 21 -3.016 11.965 -4.503 1.00 0.00 C ATOM 290 O ASN A 21 -3.902 11.212 -4.889 1.00 0.00 O ATOM 291 CB ASN A 21 -1.241 10.424 -3.612 1.00 0.00 C ATOM 292 CG ASN A 21 -0.427 10.681 -4.871 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.994 10.912 -5.942 1.00 0.00 O ATOM 294 ND2 ASN A 21 0.869 10.663 -4.810 1.00 0.00 N ATOM 0 H ASN A 21 -3.001 10.315 -1.867 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.549 12.469 -3.045 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.569 10.250 -2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.834 9.518 -3.739 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.422 10.840 -5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.335 10.472 -3.923 1.00 0.00 H new ATOM 301 N LYS A 22 -2.799 13.157 -5.037 1.00 0.00 N ATOM 302 CA LYS A 22 -3.626 13.676 -6.126 1.00 0.00 C ATOM 303 C LYS A 22 -3.644 12.744 -7.326 1.00 0.00 C ATOM 304 O LYS A 22 -4.709 12.488 -7.917 1.00 0.00 O ATOM 305 CB LYS A 22 -3.168 15.088 -6.552 1.00 0.00 C ATOM 306 CG LYS A 22 -1.713 15.076 -7.089 1.00 0.00 C ATOM 307 CD LYS A 22 -0.734 14.802 -5.936 1.00 0.00 C ATOM 308 CE LYS A 22 0.622 15.457 -6.222 1.00 0.00 C ATOM 309 NZ LYS A 22 1.198 14.926 -7.488 1.00 0.00 N ATOM 0 H LYS A 22 -2.056 13.788 -4.736 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.644 13.741 -5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.838 15.472 -7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.237 15.766 -5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.606 14.311 -7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.480 16.033 -7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.143 15.189 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.606 13.727 -5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.503 16.538 -6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.307 15.267 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.188 15.233 -7.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.157 13.887 -7.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.652 15.287 -8.296 1.00 0.00 H new ATOM 323 N ASP A 23 -2.480 12.258 -7.713 1.00 0.00 N ATOM 324 CA ASP A 23 -2.411 11.372 -8.854 1.00 0.00 C ATOM 325 C ASP A 23 -3.142 10.083 -8.537 1.00 0.00 C ATOM 326 O ASP A 23 -3.990 9.634 -9.305 1.00 0.00 O ATOM 327 CB ASP A 23 -0.962 11.090 -9.249 1.00 0.00 C ATOM 328 CG ASP A 23 -0.912 10.531 -10.658 1.00 0.00 C ATOM 329 OD1 ASP A 23 -1.402 11.192 -11.553 1.00 0.00 O ATOM 330 OD2 ASP A 23 -0.383 9.466 -10.831 1.00 0.00 O ATOM 0 H ASP A 23 -1.587 12.458 -7.263 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.891 11.857 -9.704 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.375 12.006 -9.191 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.517 10.381 -8.551 1.00 0.00 H new ATOM 335 N ILE A 24 -2.914 9.563 -7.343 1.00 0.00 N ATOM 336 CA ILE A 24 -3.645 8.396 -6.884 1.00 0.00 C ATOM 337 C ILE A 24 -5.123 8.725 -6.743 1.00 0.00 C ATOM 338 O ILE A 24 -5.969 7.996 -7.249 1.00 0.00 O ATOM 339 CB ILE A 24 -3.068 7.841 -5.585 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.669 7.285 -5.857 1.00 0.00 C ATOM 341 CG2 ILE A 24 -3.954 6.698 -5.078 1.00 0.00 C ATOM 342 CD1 ILE A 24 -0.981 6.963 -4.535 1.00 0.00 C ATOM 0 H ILE A 24 -2.232 9.928 -6.678 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.537 7.612 -7.634 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.023 8.636 -4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.737 6.387 -6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.081 8.011 -6.417 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.541 6.302 -4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.962 7.072 -4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.990 5.906 -5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.016 6.567 -4.730 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.900 7.870 -3.937 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.566 6.221 -3.992 1.00 0.00 H new ATOM 354 N ARG A 25 -5.431 9.893 -6.174 1.00 0.00 N ATOM 355 CA ARG A 25 -6.825 10.332 -6.120 1.00 0.00 C ATOM 356 C ARG A 25 -7.407 10.320 -7.501 1.00 0.00 C ATOM 357 O ARG A 25 -8.516 9.820 -7.720 1.00 0.00 O ATOM 358 CB ARG A 25 -6.952 11.762 -5.569 1.00 0.00 C ATOM 359 CG ARG A 25 -6.885 11.800 -4.041 1.00 0.00 C ATOM 360 CD ARG A 25 -6.987 13.268 -3.592 1.00 0.00 C ATOM 361 NE ARG A 25 -7.176 13.372 -2.145 1.00 0.00 N ATOM 362 CZ ARG A 25 -7.156 14.560 -1.520 1.00 0.00 C ATOM 363 NH1 ARG A 25 -6.821 15.641 -2.178 1.00 0.00 N ATOM 364 NH2 ARG A 25 -7.467 14.634 -0.254 1.00 0.00 N ATOM 0 H ARG A 25 -4.756 10.534 -5.756 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.356 9.647 -5.459 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.155 12.381 -5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.896 12.195 -5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.696 11.213 -3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.952 11.359 -3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.082 13.802 -3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.819 13.750 -4.105 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.326 12.524 -1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.575 15.581 -3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.806 16.543 -1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.724 13.790 0.258 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.452 15.536 0.223 1.00 0.00 H new ATOM 378 N SER A 26 -6.647 10.826 -8.433 1.00 0.00 N ATOM 379 CA SER A 26 -7.055 10.823 -9.807 1.00 0.00 C ATOM 380 C SER A 26 -7.250 9.377 -10.286 1.00 0.00 C ATOM 381 O SER A 26 -8.284 9.047 -10.880 1.00 0.00 O ATOM 382 CB SER A 26 -6.019 11.568 -10.638 1.00 0.00 C ATOM 383 OG SER A 26 -5.843 12.886 -10.095 1.00 0.00 O ATOM 0 H SER A 26 -5.735 11.249 -8.262 1.00 0.00 H new ATOM 0 HA SER A 26 -8.010 11.336 -9.922 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.072 11.028 -10.631 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.343 11.629 -11.677 1.00 0.00 H new ATOM 0 HG SER A 26 -5.399 12.824 -9.224 1.00 0.00 H new ATOM 389 N LEU A 27 -6.325 8.493 -9.898 1.00 0.00 N ATOM 390 CA LEU A 27 -6.461 7.058 -10.184 1.00 0.00 C ATOM 391 C LEU A 27 -7.686 6.499 -9.460 1.00 0.00 C ATOM 392 O LEU A 27 -8.426 5.672 -10.001 1.00 0.00 O ATOM 393 CB LEU A 27 -5.206 6.281 -9.734 1.00 0.00 C ATOM 394 CG LEU A 27 -3.988 6.694 -10.582 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.720 6.020 -10.040 1.00 0.00 C ATOM 396 CD2 LEU A 27 -4.193 6.303 -12.054 1.00 0.00 C ATOM 0 H LEU A 27 -5.478 8.742 -9.388 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.578 6.938 -11.261 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.007 6.477 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.379 5.209 -9.832 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.878 7.777 -10.521 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.863 6.317 -10.645 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.558 6.327 -9.007 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.837 4.937 -10.083 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.321 6.604 -12.635 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.324 5.224 -12.129 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.079 6.804 -12.444 1.00 0.00 H new ATOM 408 N LEU A 28 -7.882 6.954 -8.224 1.00 0.00 N ATOM 409 CA LEU A 28 -8.994 6.512 -7.385 1.00 0.00 C ATOM 410 C LEU A 28 -10.262 7.271 -7.752 1.00 0.00 C ATOM 411 O LEU A 28 -11.298 7.129 -7.086 1.00 0.00 O ATOM 412 CB LEU A 28 -8.682 6.733 -5.885 1.00 0.00 C ATOM 413 CG LEU A 28 -7.471 5.895 -5.436 1.00 0.00 C ATOM 414 CD1 LEU A 28 -7.143 6.232 -3.977 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.784 4.395 -5.548 1.00 0.00 C ATOM 0 H LEU A 28 -7.274 7.640 -7.776 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.141 5.446 -7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.483 7.789 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.553 6.466 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.622 6.127 -6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.286 5.642 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.907 7.293 -3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.003 6.001 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.917 3.817 -5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.637 4.153 -4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.020 4.149 -6.583 1.00 0.00 H new ATOM 427 N GLN A 29 -10.151 8.145 -8.746 1.00 0.00 N ATOM 428 CA GLN A 29 -11.265 8.983 -9.171 1.00 0.00 C ATOM 429 C GLN A 29 -11.765 9.829 -8.006 1.00 0.00 C ATOM 430 O GLN A 29 -12.941 10.201 -7.950 1.00 0.00 O ATOM 431 CB GLN A 29 -12.412 8.107 -9.709 1.00 0.00 C ATOM 432 CG GLN A 29 -11.921 7.250 -10.885 1.00 0.00 C ATOM 433 CD GLN A 29 -11.488 8.131 -12.044 1.00 0.00 C ATOM 434 OE1 GLN A 29 -12.246 9.003 -12.486 1.00 0.00 O ATOM 435 NE2 GLN A 29 -10.323 7.966 -12.570 1.00 0.00 N ATOM 0 H GLN A 29 -9.292 8.292 -9.276 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.919 9.644 -9.965 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.791 7.464 -8.915 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.241 8.738 -10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.087 6.626 -10.564 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.716 6.578 -11.209 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.697 7.248 -12.207 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.027 8.554 -13.349 1.00 0.00 H new ATOM 444 N CYS A 30 -10.871 10.125 -7.070 1.00 0.00 N ATOM 445 CA CYS A 30 -11.224 10.910 -5.889 1.00 0.00 C ATOM 446 C CYS A 30 -11.492 12.359 -6.256 1.00 0.00 C ATOM 447 O CYS A 30 -11.028 13.275 -5.574 1.00 0.00 O ATOM 448 CB CYS A 30 -10.112 10.830 -4.836 1.00 0.00 C ATOM 449 SG CYS A 30 -10.845 10.845 -3.180 1.00 0.00 S ATOM 0 H CYS A 30 -9.894 9.834 -7.104 1.00 0.00 H new ATOM 0 HA CYS A 30 -12.137 10.488 -5.469 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.527 9.921 -4.978 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.428 11.671 -4.950 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.902 10.775 -2.288 1.00 0.00 H new ATOM 455 N ASP A 31 -12.266 12.575 -7.302 1.00 0.00 N ATOM 456 CA ASP A 31 -12.618 13.935 -7.714 1.00 0.00 C ATOM 457 C ASP A 31 -13.576 14.586 -6.735 1.00 0.00 C ATOM 458 O ASP A 31 -13.452 15.775 -6.433 1.00 0.00 O ATOM 459 CB ASP A 31 -13.185 13.979 -9.142 1.00 0.00 C ATOM 460 CG ASP A 31 -12.069 14.048 -10.183 1.00 0.00 C ATOM 461 OD1 ASP A 31 -10.921 14.186 -9.812 1.00 0.00 O ATOM 462 OD2 ASP A 31 -12.380 13.965 -11.346 1.00 0.00 O ATOM 0 H ASP A 31 -12.664 11.837 -7.883 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.692 14.509 -7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.796 13.094 -9.320 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.839 14.845 -9.249 1.00 0.00 H new ATOM 467 N ASP A 32 -14.553 13.806 -6.276 1.00 0.00 N ATOM 468 CA ASP A 32 -15.596 14.299 -5.372 1.00 0.00 C ATOM 469 C ASP A 32 -16.403 15.396 -6.048 1.00 0.00 C ATOM 470 O ASP A 32 -16.017 15.908 -7.098 1.00 0.00 O ATOM 471 CB ASP A 32 -14.998 14.822 -4.049 1.00 0.00 C ATOM 472 CG ASP A 32 -14.731 13.693 -3.073 1.00 0.00 C ATOM 473 OD1 ASP A 32 -15.455 12.719 -3.091 1.00 0.00 O ATOM 474 OD2 ASP A 32 -13.811 13.825 -2.306 1.00 0.00 O ATOM 0 H ASP A 32 -14.646 12.819 -6.517 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.253 13.462 -5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.069 15.354 -4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.683 15.540 -3.598 1.00 0.00 H new ATOM 479 N GLY A 33 -17.557 15.703 -5.490 1.00 0.00 N ATOM 480 CA GLY A 33 -18.438 16.726 -6.051 1.00 0.00 C ATOM 481 C GLY A 33 -19.063 16.264 -7.366 1.00 0.00 C ATOM 482 O GLY A 33 -20.222 16.576 -7.657 1.00 0.00 O ATOM 0 H GLY A 33 -17.914 15.260 -4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.226 16.962 -5.335 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.873 17.643 -6.217 1.00 0.00 H new ATOM 486 N ILE A 34 -18.304 15.509 -8.149 1.00 0.00 N ATOM 487 CA ILE A 34 -18.788 15.016 -9.428 1.00 0.00 C ATOM 488 C ILE A 34 -19.964 14.064 -9.250 1.00 0.00 C ATOM 489 O ILE A 34 -20.952 14.144 -9.974 1.00 0.00 O ATOM 490 CB ILE A 34 -17.643 14.378 -10.232 1.00 0.00 C ATOM 491 CG1 ILE A 34 -18.127 14.000 -11.638 1.00 0.00 C ATOM 492 CG2 ILE A 34 -17.083 13.148 -9.514 1.00 0.00 C ATOM 493 CD1 ILE A 34 -18.590 15.253 -12.377 1.00 0.00 C ATOM 0 H ILE A 34 -17.351 15.226 -7.920 1.00 0.00 H new ATOM 0 HA ILE A 34 -19.158 15.865 -10.002 1.00 0.00 H new ATOM 0 HB ILE A 34 -16.841 15.111 -10.319 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -17.323 13.516 -12.192 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -18.945 13.283 -11.571 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.275 12.718 -10.106 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -16.701 13.440 -8.536 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -17.874 12.409 -9.388 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -18.933 14.981 -13.375 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -19.408 15.719 -11.827 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -17.760 15.955 -12.457 1.00 0.00 H new ATOM 505 N THR A 35 -19.895 13.237 -8.232 1.00 0.00 N ATOM 506 CA THR A 35 -20.995 12.359 -7.865 1.00 0.00 C ATOM 507 C THR A 35 -21.195 12.459 -6.357 1.00 0.00 C ATOM 508 O THR A 35 -20.977 11.496 -5.617 1.00 0.00 O ATOM 509 CB THR A 35 -20.707 10.903 -8.330 1.00 0.00 C ATOM 510 OG1 THR A 35 -21.610 9.985 -7.713 1.00 0.00 O ATOM 511 CG2 THR A 35 -19.258 10.508 -8.017 1.00 0.00 C ATOM 0 H THR A 35 -19.076 13.150 -7.631 1.00 0.00 H new ATOM 0 HA THR A 35 -21.916 12.662 -8.363 1.00 0.00 H new ATOM 0 HB THR A 35 -20.853 10.862 -9.409 1.00 0.00 H new ATOM 0 HG1 THR A 35 -21.496 10.018 -6.740 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.079 9.486 -8.351 1.00 0.00 H new ATOM 0 HG22 THR A 35 -18.577 11.183 -8.535 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.087 10.574 -6.943 1.00 0.00 H new ATOM 519 N GLY A 36 -21.355 13.695 -5.889 1.00 0.00 N ATOM 520 CA GLY A 36 -21.305 13.966 -4.480 1.00 0.00 C ATOM 521 C GLY A 36 -19.918 13.630 -4.019 1.00 0.00 C ATOM 522 O GLY A 36 -18.958 13.778 -4.788 1.00 0.00 O ATOM 0 H GLY A 36 -21.519 14.514 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -21.535 15.012 -4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -22.044 13.369 -3.946 1.00 0.00 H new ATOM 526 N LYS A 37 -19.805 13.062 -2.851 1.00 0.00 N ATOM 527 CA LYS A 37 -18.523 12.571 -2.411 1.00 0.00 C ATOM 528 C LYS A 37 -18.602 11.065 -2.241 1.00 0.00 C ATOM 529 O LYS A 37 -19.415 10.556 -1.459 1.00 0.00 O ATOM 530 CB LYS A 37 -18.119 13.258 -1.105 1.00 0.00 C ATOM 531 CG LYS A 37 -17.562 14.664 -1.419 1.00 0.00 C ATOM 532 CD LYS A 37 -18.715 15.651 -1.669 1.00 0.00 C ATOM 533 CE LYS A 37 -19.191 16.248 -0.334 1.00 0.00 C ATOM 534 NZ LYS A 37 -18.869 17.698 -0.284 1.00 0.00 N ATOM 0 H LYS A 37 -20.572 12.927 -2.192 1.00 0.00 H new ATOM 0 HA LYS A 37 -17.760 12.799 -3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.979 13.335 -0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.367 12.664 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.949 15.013 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.916 14.619 -2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.386 16.447 -2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.541 15.141 -2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.265 16.101 -0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -18.711 15.731 0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.194 18.095 0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.841 17.828 -0.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.347 18.187 -1.068 1.00 0.00 H new ATOM 548 N GLU A 38 -17.762 10.349 -2.969 1.00 0.00 N ATOM 549 CA GLU A 38 -17.763 8.894 -2.904 1.00 0.00 C ATOM 550 C GLU A 38 -16.904 8.364 -1.783 1.00 0.00 C ATOM 551 O GLU A 38 -15.987 9.043 -1.318 1.00 0.00 O ATOM 552 CB GLU A 38 -17.401 8.254 -4.252 1.00 0.00 C ATOM 553 CG GLU A 38 -18.651 8.192 -5.129 1.00 0.00 C ATOM 554 CD GLU A 38 -19.688 7.281 -4.486 1.00 0.00 C ATOM 555 OE1 GLU A 38 -19.308 6.441 -3.684 1.00 0.00 O ATOM 556 OE2 GLU A 38 -20.842 7.428 -4.803 1.00 0.00 O ATOM 0 H GLU A 38 -17.074 10.746 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 38 -18.788 8.600 -2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.623 8.835 -4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.001 7.252 -4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -19.064 9.192 -5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.393 7.821 -6.121 1.00 0.00 H new ATOM 563 N ARG A 39 -17.254 7.194 -1.292 1.00 0.00 N ATOM 564 CA ARG A 39 -16.566 6.631 -0.140 1.00 0.00 C ATOM 565 C ARG A 39 -15.313 5.880 -0.559 1.00 0.00 C ATOM 566 O ARG A 39 -15.395 4.913 -1.323 1.00 0.00 O ATOM 567 CB ARG A 39 -17.494 5.664 0.623 1.00 0.00 C ATOM 568 CG ARG A 39 -18.936 6.201 0.665 1.00 0.00 C ATOM 569 CD ARG A 39 -18.960 7.650 1.166 1.00 0.00 C ATOM 570 NE ARG A 39 -18.070 7.818 2.315 1.00 0.00 N ATOM 571 CZ ARG A 39 -17.673 9.029 2.718 1.00 0.00 C ATOM 572 NH1 ARG A 39 -18.122 10.092 2.118 1.00 0.00 N ATOM 573 NH2 ARG A 39 -16.854 9.149 3.719 1.00 0.00 N ATOM 0 H ARG A 39 -18.005 6.614 -1.666 1.00 0.00 H new ATOM 0 HA ARG A 39 -16.283 7.461 0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -17.480 4.686 0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -17.124 5.525 1.639 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -19.378 6.147 -0.330 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -19.544 5.575 1.318 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -18.656 8.322 0.363 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -19.977 7.926 1.445 1.00 0.00 H new ATOM 0 HE ARG A 39 -17.745 6.993 2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -18.776 10.001 1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -17.820 11.017 2.425 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.512 8.317 4.200 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.553 10.075 4.024 1.00 0.00 H new ATOM 587 N LEU A 40 -14.186 6.242 0.038 1.00 0.00 N ATOM 588 CA LEU A 40 -12.940 5.500 -0.151 1.00 0.00 C ATOM 589 C LEU A 40 -12.754 4.549 1.010 1.00 0.00 C ATOM 590 O LEU A 40 -12.944 4.940 2.166 1.00 0.00 O ATOM 591 CB LEU A 40 -11.722 6.441 -0.220 1.00 0.00 C ATOM 592 CG LEU A 40 -11.854 7.393 -1.413 1.00 0.00 C ATOM 593 CD1 LEU A 40 -12.546 8.677 -0.963 1.00 0.00 C ATOM 594 CD2 LEU A 40 -10.461 7.739 -1.952 1.00 0.00 C ATOM 0 H LEU A 40 -14.105 7.047 0.660 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.008 4.958 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.643 7.014 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.807 5.856 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.440 6.911 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.641 9.356 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.537 8.440 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.955 9.154 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.557 8.416 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.877 8.220 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.957 6.827 -2.271 1.00 0.00 H new ATOM 606 N LYS A 41 -12.383 3.319 0.726 1.00 0.00 N ATOM 607 CA LYS A 41 -12.147 2.338 1.784 1.00 0.00 C ATOM 608 C LYS A 41 -10.862 1.579 1.547 1.00 0.00 C ATOM 609 O LYS A 41 -10.437 1.424 0.407 1.00 0.00 O ATOM 610 CB LYS A 41 -13.333 1.383 1.936 1.00 0.00 C ATOM 611 CG LYS A 41 -14.509 2.121 2.595 1.00 0.00 C ATOM 612 CD LYS A 41 -14.453 1.932 4.126 1.00 0.00 C ATOM 613 CE LYS A 41 -13.518 2.973 4.769 1.00 0.00 C ATOM 614 NZ LYS A 41 -13.865 4.340 4.284 1.00 0.00 N ATOM 0 H LYS A 41 -12.237 2.968 -0.220 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.044 2.884 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.632 1.000 0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.045 0.523 2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.468 3.182 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.453 1.739 2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.454 2.027 4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.103 0.927 4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.605 2.931 5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.481 2.743 4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.577 5.044 4.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.369 4.527 3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.892 4.404 4.130 1.00 0.00 H new ATOM 628 N ALA A 42 -10.229 1.137 2.626 1.00 0.00 N ATOM 629 CA ALA A 42 -8.970 0.409 2.525 1.00 0.00 C ATOM 630 C ALA A 42 -8.945 -0.792 3.464 1.00 0.00 C ATOM 631 O ALA A 42 -9.407 -0.711 4.600 1.00 0.00 O ATOM 632 CB ALA A 42 -7.795 1.336 2.821 1.00 0.00 C ATOM 0 H ALA A 42 -10.566 1.269 3.580 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.881 0.038 1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.862 0.778 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.789 2.156 2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.893 1.737 3.830 1.00 0.00 H new ATOM 638 N TYR A 43 -8.449 -1.908 2.964 1.00 0.00 N ATOM 639 CA TYR A 43 -8.377 -3.156 3.721 1.00 0.00 C ATOM 640 C TYR A 43 -7.353 -4.097 3.094 1.00 0.00 C ATOM 641 O TYR A 43 -6.820 -3.809 2.035 1.00 0.00 O ATOM 642 CB TYR A 43 -9.753 -3.828 3.816 1.00 0.00 C ATOM 643 CG TYR A 43 -10.405 -3.879 2.454 1.00 0.00 C ATOM 644 CD1 TYR A 43 -10.145 -4.942 1.598 1.00 0.00 C ATOM 645 CD2 TYR A 43 -11.279 -2.864 2.057 1.00 0.00 C ATOM 646 CE1 TYR A 43 -10.754 -5.001 0.348 1.00 0.00 C ATOM 647 CE2 TYR A 43 -11.892 -2.920 0.800 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.631 -3.994 -0.053 1.00 0.00 C ATOM 649 OH TYR A 43 -12.242 -4.066 -1.287 1.00 0.00 O ATOM 0 H TYR A 43 -8.081 -1.981 2.016 1.00 0.00 H new ATOM 0 HA TYR A 43 -8.055 -2.921 4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.646 -4.837 4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.387 -3.277 4.510 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.468 -5.726 1.904 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.482 -2.036 2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.547 -5.829 -0.313 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.565 -2.134 0.491 1.00 0.00 H new ATOM 0 HH TYR A 43 -13.206 -3.921 -1.184 1.00 0.00 H new ATOM 659 N GLY A 44 -7.048 -5.200 3.761 1.00 0.00 N ATOM 660 CA GLY A 44 -6.097 -6.157 3.225 1.00 0.00 C ATOM 661 C GLY A 44 -6.545 -6.623 1.845 1.00 0.00 C ATOM 662 O GLY A 44 -7.556 -6.175 1.333 1.00 0.00 O ATOM 0 H GLY A 44 -7.443 -5.452 4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.108 -5.702 3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.012 -7.012 3.896 1.00 0.00 H new ATOM 666 N GLU A 45 -5.814 -7.540 1.272 1.00 0.00 N ATOM 667 CA GLU A 45 -6.179 -8.111 -0.019 1.00 0.00 C ATOM 668 C GLU A 45 -7.696 -8.422 -0.058 1.00 0.00 C ATOM 669 O GLU A 45 -8.286 -8.834 0.958 1.00 0.00 O ATOM 670 CB GLU A 45 -5.335 -9.377 -0.284 1.00 0.00 C ATOM 671 CG GLU A 45 -3.859 -9.015 -0.568 1.00 0.00 C ATOM 672 CD GLU A 45 -3.026 -10.284 -0.801 1.00 0.00 C ATOM 673 OE1 GLU A 45 -3.608 -11.343 -0.943 1.00 0.00 O ATOM 674 OE2 GLU A 45 -1.813 -10.179 -0.864 1.00 0.00 O ATOM 0 H GLU A 45 -4.955 -7.917 1.673 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.970 -7.390 -0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.390 -10.041 0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.748 -9.922 -1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.800 -8.369 -1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.449 -8.453 0.271 1.00 0.00 H new ATOM 681 N LEU A 46 -8.338 -8.079 -1.169 1.00 0.00 N ATOM 682 CA LEU A 46 -9.798 -8.175 -1.280 1.00 0.00 C ATOM 683 C LEU A 46 -10.353 -9.604 -1.182 1.00 0.00 C ATOM 684 O LEU A 46 -11.376 -9.825 -0.527 1.00 0.00 O ATOM 685 CB LEU A 46 -10.297 -7.460 -2.553 1.00 0.00 C ATOM 686 CG LEU A 46 -11.795 -7.737 -2.773 1.00 0.00 C ATOM 687 CD1 LEU A 46 -12.436 -6.579 -3.548 1.00 0.00 C ATOM 688 CD2 LEU A 46 -11.950 -9.030 -3.585 1.00 0.00 C ATOM 0 H LEU A 46 -7.875 -7.731 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.195 -7.662 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.128 -6.387 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.727 -7.802 -3.417 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.288 -7.837 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.496 -6.785 -3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.323 -5.655 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.946 -6.473 -4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -13.009 -9.234 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.452 -8.917 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.500 -9.859 -3.039 1.00 0.00 H new ATOM 700 N ILE A 47 -9.750 -10.544 -1.883 1.00 0.00 N ATOM 701 CA ILE A 47 -10.296 -11.908 -1.933 1.00 0.00 C ATOM 702 C ILE A 47 -9.882 -12.712 -0.724 1.00 0.00 C ATOM 703 O ILE A 47 -10.328 -13.843 -0.522 1.00 0.00 O ATOM 704 CB ILE A 47 -9.865 -12.624 -3.219 1.00 0.00 C ATOM 705 CG1 ILE A 47 -8.332 -12.702 -3.298 1.00 0.00 C ATOM 706 CG2 ILE A 47 -10.390 -11.849 -4.429 1.00 0.00 C ATOM 707 CD1 ILE A 47 -7.931 -13.590 -4.476 1.00 0.00 C ATOM 0 H ILE A 47 -8.895 -10.404 -2.422 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.383 -11.824 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.274 -13.634 -3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.912 -11.704 -3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.929 -13.106 -2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.086 -12.355 -5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.478 -11.800 -4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.981 -10.839 -4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.844 -13.647 -4.535 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.340 -14.590 -4.333 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.323 -13.166 -5.401 1.00 0.00 H new ATOM 719 N THR A 48 -8.957 -12.177 0.003 1.00 0.00 N ATOM 720 CA THR A 48 -8.349 -12.858 1.113 1.00 0.00 C ATOM 721 C THR A 48 -9.404 -13.238 2.150 1.00 0.00 C ATOM 722 O THR A 48 -9.505 -14.387 2.555 1.00 0.00 O ATOM 723 CB THR A 48 -7.361 -11.865 1.733 1.00 0.00 C ATOM 724 OG1 THR A 48 -7.177 -10.839 0.803 1.00 0.00 O ATOM 725 CG2 THR A 48 -5.997 -12.501 1.997 1.00 0.00 C ATOM 0 H THR A 48 -8.592 -11.238 -0.155 1.00 0.00 H new ATOM 0 HA THR A 48 -7.857 -13.774 0.786 1.00 0.00 H new ATOM 0 HB THR A 48 -7.763 -11.515 2.684 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.407 -9.980 1.214 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.329 -11.760 2.437 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.113 -13.339 2.685 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.574 -12.859 1.058 1.00 0.00 H new ATOM 733 N ASN A 49 -10.200 -12.277 2.563 1.00 0.00 N ATOM 734 CA ASN A 49 -11.145 -12.513 3.646 1.00 0.00 C ATOM 735 C ASN A 49 -12.394 -13.265 3.200 1.00 0.00 C ATOM 736 O ASN A 49 -13.368 -13.336 3.951 1.00 0.00 O ATOM 737 CB ASN A 49 -11.531 -11.207 4.340 1.00 0.00 C ATOM 738 CG ASN A 49 -12.690 -10.544 3.596 1.00 0.00 C ATOM 739 OD1 ASN A 49 -12.603 -10.330 2.385 1.00 0.00 O ATOM 740 ND2 ASN A 49 -13.769 -10.222 4.236 1.00 0.00 N ATOM 0 H ASN A 49 -10.217 -11.334 2.175 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.627 -13.154 4.359 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.817 -11.405 5.373 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.674 -10.534 4.370 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -14.548 -9.791 3.738 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -13.840 -10.400 5.238 1.00 0.00 H new ATOM 747 N ASP A 50 -12.384 -13.799 1.981 1.00 0.00 N ATOM 748 CA ASP A 50 -13.558 -14.515 1.483 1.00 0.00 C ATOM 749 C ASP A 50 -14.021 -15.543 2.515 1.00 0.00 C ATOM 750 O ASP A 50 -14.996 -15.313 3.238 1.00 0.00 O ATOM 751 CB ASP A 50 -13.246 -15.216 0.156 1.00 0.00 C ATOM 752 CG ASP A 50 -14.484 -15.906 -0.391 1.00 0.00 C ATOM 753 OD1 ASP A 50 -15.559 -15.643 0.090 1.00 0.00 O ATOM 754 OD2 ASP A 50 -14.343 -16.693 -1.306 1.00 0.00 O ATOM 0 H ASP A 50 -11.598 -13.753 1.333 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.354 -13.790 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.879 -14.488 -0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.451 -15.947 0.303 1.00 0.00 H new ATOM 759 N LYS A 51 -13.251 -16.618 2.656 1.00 0.00 N ATOM 760 CA LYS A 51 -13.503 -17.618 3.697 1.00 0.00 C ATOM 761 C LYS A 51 -12.342 -17.647 4.680 1.00 0.00 C ATOM 762 O LYS A 51 -12.248 -16.788 5.557 1.00 0.00 O ATOM 763 CB LYS A 51 -13.749 -18.999 3.076 1.00 0.00 C ATOM 764 CG LYS A 51 -15.146 -19.006 2.433 1.00 0.00 C ATOM 765 CD LYS A 51 -15.012 -18.851 0.923 1.00 0.00 C ATOM 766 CE LYS A 51 -16.401 -18.601 0.306 1.00 0.00 C ATOM 767 NZ LYS A 51 -16.254 -18.248 -1.129 1.00 0.00 N ATOM 0 H LYS A 51 -12.446 -16.822 2.064 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.405 -17.342 4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.987 -19.219 2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.680 -19.775 3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.662 -19.937 2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.749 -18.195 2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.344 -18.022 0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.568 -19.749 0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.021 -19.491 0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.907 -17.796 0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.875 -17.445 -1.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.266 -17.987 -1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.517 -19.065 -1.716 1.00 0.00 H new ATOM 781 N TRP A 52 -11.389 -18.540 4.448 1.00 0.00 N ATOM 782 CA TRP A 52 -10.170 -18.574 5.248 1.00 0.00 C ATOM 783 C TRP A 52 -8.968 -18.167 4.414 1.00 0.00 C ATOM 784 O TRP A 52 -7.825 -18.281 4.853 1.00 0.00 O ATOM 785 CB TRP A 52 -9.939 -19.948 5.871 1.00 0.00 C ATOM 786 CG TRP A 52 -9.585 -19.763 7.307 1.00 0.00 C ATOM 787 CD1 TRP A 52 -8.381 -19.353 7.765 1.00 0.00 C ATOM 788 CD2 TRP A 52 -10.423 -19.954 8.472 1.00 0.00 C ATOM 789 NE1 TRP A 52 -8.429 -19.297 9.145 1.00 0.00 N ATOM 790 CE2 TRP A 52 -9.668 -19.658 9.629 1.00 0.00 C ATOM 791 CE3 TRP A 52 -11.752 -20.361 8.634 1.00 0.00 C ATOM 792 CZ2 TRP A 52 -10.217 -19.758 10.904 1.00 0.00 C ATOM 793 CZ3 TRP A 52 -12.312 -20.463 9.913 1.00 0.00 C ATOM 794 CH2 TRP A 52 -11.546 -20.163 11.047 1.00 0.00 C ATOM 0 H TRP A 52 -11.435 -19.248 3.716 1.00 0.00 H new ATOM 0 HA TRP A 52 -10.296 -17.857 6.060 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -10.835 -20.562 5.778 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -9.139 -20.471 5.348 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -7.524 -19.110 7.154 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -7.643 -19.022 9.734 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -12.350 -20.598 7.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -9.621 -19.525 11.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -13.340 -20.775 10.026 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -11.983 -20.245 12.031 1.00 0.00 H new ATOM 805 N THR A 53 -9.234 -17.662 3.233 1.00 0.00 N ATOM 806 CA THR A 53 -8.192 -17.220 2.328 1.00 0.00 C ATOM 807 C THR A 53 -7.537 -15.942 2.848 1.00 0.00 C ATOM 808 O THR A 53 -6.822 -15.272 2.123 1.00 0.00 O ATOM 809 CB THR A 53 -8.825 -16.966 0.956 1.00 0.00 C ATOM 810 OG1 THR A 53 -10.110 -16.355 1.143 1.00 0.00 O ATOM 811 CG2 THR A 53 -8.998 -18.288 0.208 1.00 0.00 C ATOM 0 H THR A 53 -10.180 -17.544 2.869 1.00 0.00 H new ATOM 0 HA THR A 53 -7.420 -17.986 2.252 1.00 0.00 H new ATOM 0 HB THR A 53 -8.179 -16.309 0.374 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.999 -15.488 1.585 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.449 -18.099 -0.766 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.025 -18.759 0.072 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.644 -18.950 0.784 1.00 0.00 H new ATOM 819 N ARG A 54 -7.907 -15.554 4.066 1.00 0.00 N ATOM 820 CA ARG A 54 -7.519 -14.279 4.687 1.00 0.00 C ATOM 821 C ARG A 54 -5.996 -14.007 4.696 1.00 0.00 C ATOM 822 O ARG A 54 -5.529 -13.166 5.454 1.00 0.00 O ATOM 823 CB ARG A 54 -8.133 -14.124 6.077 1.00 0.00 C ATOM 824 CG ARG A 54 -8.190 -12.636 6.450 1.00 0.00 C ATOM 825 CD ARG A 54 -8.490 -12.491 7.932 1.00 0.00 C ATOM 826 NE ARG A 54 -9.802 -13.052 8.276 1.00 0.00 N ATOM 827 CZ ARG A 54 -10.150 -13.274 9.551 1.00 0.00 C ATOM 828 NH1 ARG A 54 -9.293 -13.034 10.505 1.00 0.00 N ATOM 829 NH2 ARG A 54 -11.334 -13.737 9.836 1.00 0.00 N ATOM 0 H ARG A 54 -8.499 -16.127 4.667 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.936 -13.507 4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.135 -14.552 6.093 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.541 -14.671 6.811 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.241 -12.155 6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.958 -12.133 5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.716 -12.994 8.511 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.461 -11.437 8.208 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.461 -13.277 7.531 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.364 -12.679 10.279 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.552 -13.201 11.477 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.999 -13.932 9.088 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.596 -13.905 10.807 1.00 0.00 H new ATOM 843 N ASN A 55 -5.240 -14.755 3.896 1.00 0.00 N ATOM 844 CA ASN A 55 -3.768 -14.654 3.821 1.00 0.00 C ATOM 845 C ASN A 55 -3.213 -13.440 4.566 1.00 0.00 C ATOM 846 O ASN A 55 -2.831 -13.555 5.735 1.00 0.00 O ATOM 847 CB ASN A 55 -3.325 -14.566 2.349 1.00 0.00 C ATOM 848 CG ASN A 55 -1.807 -14.675 2.253 1.00 0.00 C ATOM 849 OD1 ASN A 55 -1.280 -15.724 1.897 1.00 0.00 O ATOM 850 ND2 ASN A 55 -1.067 -13.654 2.550 1.00 0.00 N ATOM 0 H ASN A 55 -5.629 -15.460 3.270 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.372 -15.550 4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.792 -15.364 1.772 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.658 -13.623 1.916 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.051 -13.725 2.487 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.500 -12.779 2.847 1.00 0.00 H new ATOM 857 N ARG A 56 -3.074 -12.303 3.872 1.00 0.00 N ATOM 858 CA ARG A 56 -2.492 -11.126 4.496 1.00 0.00 C ATOM 859 C ARG A 56 -3.468 -9.960 4.638 1.00 0.00 C ATOM 860 O ARG A 56 -3.713 -9.217 3.683 1.00 0.00 O ATOM 861 CB ARG A 56 -1.192 -10.678 3.804 1.00 0.00 C ATOM 862 CG ARG A 56 -1.438 -10.296 2.340 1.00 0.00 C ATOM 863 CD ARG A 56 -0.088 -9.999 1.683 1.00 0.00 C ATOM 864 NE ARG A 56 0.745 -11.199 1.688 1.00 0.00 N ATOM 865 CZ ARG A 56 0.643 -12.138 0.749 1.00 0.00 C ATOM 866 NH1 ARG A 56 -0.245 -12.023 -0.205 1.00 0.00 N ATOM 867 NH2 ARG A 56 1.417 -13.180 0.798 1.00 0.00 N ATOM 0 H ARG A 56 -3.353 -12.181 2.898 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.241 -11.442 5.509 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.769 -9.826 4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.457 -11.481 3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.944 -11.107 1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.089 -9.424 2.280 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.240 -9.656 0.660 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.416 -9.194 2.217 1.00 0.00 H new ATOM 0 HE ARG A 56 1.428 -11.322 2.436 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.863 -11.212 -0.232 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.320 -12.745 -0.922 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.097 -13.275 1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.345 -13.903 0.082 1.00 0.00 H new ATOM 881 N PRO A 57 -3.884 -9.687 5.839 1.00 0.00 N ATOM 882 CA PRO A 57 -4.626 -8.445 6.145 1.00 0.00 C ATOM 883 C PRO A 57 -3.639 -7.291 6.291 1.00 0.00 C ATOM 884 O PRO A 57 -2.431 -7.482 6.102 1.00 0.00 O ATOM 885 CB PRO A 57 -5.341 -8.742 7.456 1.00 0.00 C ATOM 886 CG PRO A 57 -4.527 -9.804 8.106 1.00 0.00 C ATOM 887 CD PRO A 57 -3.920 -10.631 6.975 1.00 0.00 C ATOM 0 HA PRO A 57 -5.331 -8.156 5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.402 -7.852 8.083 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.363 -9.079 7.281 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.747 -9.369 8.731 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.145 -10.426 8.754 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.923 -10.990 7.231 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.526 -11.508 6.749 1.00 0.00 H new ATOM 895 N ILE A 58 -4.138 -6.095 6.547 1.00 0.00 N ATOM 896 CA ILE A 58 -3.260 -4.948 6.686 1.00 0.00 C ATOM 897 C ILE A 58 -2.257 -5.175 7.827 1.00 0.00 C ATOM 898 O ILE A 58 -2.402 -4.635 8.928 1.00 0.00 O ATOM 899 CB ILE A 58 -4.084 -3.677 6.945 1.00 0.00 C ATOM 900 CG1 ILE A 58 -4.953 -3.376 5.725 1.00 0.00 C ATOM 901 CG2 ILE A 58 -3.152 -2.488 7.188 1.00 0.00 C ATOM 902 CD1 ILE A 58 -5.985 -2.320 6.088 1.00 0.00 C ATOM 0 H ILE A 58 -5.131 -5.894 6.661 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.704 -4.821 5.757 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.710 -3.837 7.823 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.332 -3.025 4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.450 -4.285 5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.745 -1.592 7.371 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.523 -2.690 8.055 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.523 -2.334 6.312 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.606 -2.104 5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.613 -2.688 6.900 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.477 -1.410 6.406 1.00 0.00 H new ATOM 914 N VAL A 59 -1.220 -5.923 7.527 1.00 0.00 N ATOM 915 CA VAL A 59 -0.125 -6.148 8.441 1.00 0.00 C ATOM 916 C VAL A 59 1.165 -6.162 7.649 1.00 0.00 C ATOM 917 O VAL A 59 1.159 -6.534 6.465 1.00 0.00 O ATOM 918 CB VAL A 59 -0.306 -7.485 9.185 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.545 -7.407 10.081 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.482 -8.631 8.171 1.00 0.00 C ATOM 0 H VAL A 59 -1.112 -6.398 6.631 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.099 -5.351 9.185 1.00 0.00 H new ATOM 0 HB VAL A 59 0.577 -7.676 9.794 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.673 -8.353 10.608 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.420 -6.602 10.806 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.425 -7.210 9.469 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.609 -9.573 8.705 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.362 -8.441 7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.400 -8.692 7.534 1.00 0.00 H new ATOM 930 N SER A 60 2.271 -5.880 8.299 1.00 0.00 N ATOM 931 CA SER A 60 3.547 -5.991 7.632 1.00 0.00 C ATOM 932 C SER A 60 4.227 -7.282 8.025 1.00 0.00 C ATOM 933 O SER A 60 4.603 -7.462 9.183 1.00 0.00 O ATOM 934 CB SER A 60 4.444 -4.785 7.929 1.00 0.00 C ATOM 935 OG SER A 60 4.326 -4.398 9.299 1.00 0.00 O ATOM 0 H SER A 60 2.314 -5.577 9.272 1.00 0.00 H new ATOM 0 HA SER A 60 3.369 -6.002 6.557 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.481 -5.032 7.703 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.167 -3.951 7.284 1.00 0.00 H new ATOM 0 HG SER A 60 5.175 -4.015 9.605 1.00 0.00 H new ATOM 941 N THR A 61 4.374 -8.188 7.078 1.00 0.00 N ATOM 942 CA THR A 61 5.005 -9.456 7.367 1.00 0.00 C ATOM 943 C THR A 61 6.474 -9.218 7.679 1.00 0.00 C ATOM 944 O THR A 61 7.289 -9.064 6.761 1.00 0.00 O ATOM 945 CB THR A 61 4.835 -10.422 6.176 1.00 0.00 C ATOM 946 OG1 THR A 61 5.762 -10.086 5.139 1.00 0.00 O ATOM 947 CG2 THR A 61 3.406 -10.321 5.628 1.00 0.00 C ATOM 0 H THR A 61 4.068 -8.070 6.112 1.00 0.00 H new ATOM 0 HA THR A 61 4.531 -9.917 8.234 1.00 0.00 H new ATOM 0 HB THR A 61 5.026 -11.440 6.516 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.417 -9.442 5.482 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.290 -11.005 4.787 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.696 -10.586 6.412 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.215 -9.301 5.295 1.00 0.00 H new ATOM 955 N LYS A 62 6.781 -9.022 8.950 1.00 0.00 N ATOM 956 CA LYS A 62 8.122 -8.637 9.339 1.00 0.00 C ATOM 957 C LYS A 62 9.113 -9.723 8.968 1.00 0.00 C ATOM 958 O LYS A 62 9.010 -10.850 9.456 1.00 0.00 O ATOM 959 CB LYS A 62 8.204 -8.387 10.856 1.00 0.00 C ATOM 960 CG LYS A 62 7.097 -7.410 11.298 1.00 0.00 C ATOM 961 CD LYS A 62 7.704 -6.142 11.931 1.00 0.00 C ATOM 962 CE LYS A 62 8.487 -6.458 13.224 1.00 0.00 C ATOM 963 NZ LYS A 62 7.968 -7.693 13.871 1.00 0.00 N ATOM 0 H LYS A 62 6.124 -9.123 9.723 1.00 0.00 H new ATOM 0 HA LYS A 62 8.368 -7.717 8.809 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.102 -9.330 11.393 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.182 -7.979 11.112 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.485 -7.135 10.439 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.439 -7.900 12.015 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.369 -5.661 11.213 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.908 -5.432 12.154 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.545 -6.581 12.992 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.408 -5.619 13.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.309 -7.740 14.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.928 -7.677 13.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.304 -8.527 13.348 1.00 0.00 H new ATOM 977 N LYS A 63 10.131 -9.360 8.213 1.00 0.00 N ATOM 978 CA LYS A 63 11.211 -10.277 7.892 1.00 0.00 C ATOM 979 C LYS A 63 12.515 -9.667 8.317 1.00 0.00 C ATOM 980 O LYS A 63 12.736 -8.479 8.111 1.00 0.00 O ATOM 981 CB LYS A 63 11.303 -10.541 6.387 1.00 0.00 C ATOM 982 CG LYS A 63 10.040 -11.246 5.865 1.00 0.00 C ATOM 983 CD LYS A 63 10.164 -11.583 4.346 1.00 0.00 C ATOM 984 CE LYS A 63 11.617 -11.397 3.826 1.00 0.00 C ATOM 985 NZ LYS A 63 11.618 -11.151 2.359 1.00 0.00 N ATOM 0 H LYS A 63 10.235 -8.430 7.807 1.00 0.00 H new ATOM 0 HA LYS A 63 11.010 -11.214 8.411 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.441 -9.598 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.178 -11.155 6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.873 -12.163 6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.171 -10.608 6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.847 -12.612 4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.490 -10.943 3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.090 -10.561 4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.207 -12.285 4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.490 -11.535 1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.794 -11.618 1.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.570 -10.128 2.179 1.00 0.00 H new ATOM 999 N LEU A 64 13.430 -10.486 8.752 1.00 0.00 N ATOM 1000 CA LEU A 64 14.767 -10.013 9.011 1.00 0.00 C ATOM 1001 C LEU A 64 15.574 -10.174 7.743 1.00 0.00 C ATOM 1002 O LEU A 64 16.101 -11.257 7.467 1.00 0.00 O ATOM 1003 CB LEU A 64 15.414 -10.810 10.154 1.00 0.00 C ATOM 1004 CG LEU A 64 16.548 -9.998 10.815 1.00 0.00 C ATOM 1005 CD1 LEU A 64 17.363 -9.217 9.772 1.00 0.00 C ATOM 1006 CD2 LEU A 64 15.964 -9.023 11.842 1.00 0.00 C ATOM 0 H LEU A 64 13.280 -11.478 8.935 1.00 0.00 H new ATOM 0 HA LEU A 64 14.737 -8.966 9.312 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.660 -11.063 10.899 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.810 -11.750 9.769 1.00 0.00 H new ATOM 0 HG LEU A 64 17.215 -10.702 11.312 1.00 0.00 H new ATOM 0 HD11 LEU A 64 18.153 -8.657 10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 64 17.807 -9.914 9.061 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.708 -8.526 9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.771 -8.454 12.304 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.276 -8.339 11.344 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.428 -9.581 12.610 1.00 0.00 H new ATOM 1018 N ASP A 65 15.606 -9.136 6.929 1.00 0.00 N ATOM 1019 CA ASP A 65 16.304 -9.212 5.667 1.00 0.00 C ATOM 1020 C ASP A 65 17.792 -9.076 5.814 1.00 0.00 C ATOM 1021 O ASP A 65 18.298 -8.456 6.753 1.00 0.00 O ATOM 1022 CB ASP A 65 15.765 -8.220 4.630 1.00 0.00 C ATOM 1023 CG ASP A 65 14.707 -8.886 3.764 1.00 0.00 C ATOM 1024 OD1 ASP A 65 15.064 -9.781 3.021 1.00 0.00 O ATOM 1025 OD2 ASP A 65 13.566 -8.503 3.838 1.00 0.00 O ATOM 0 H ASP A 65 15.160 -8.239 7.120 1.00 0.00 H new ATOM 0 HA ASP A 65 16.106 -10.216 5.292 1.00 0.00 H new ATOM 0 HB2 ASP A 65 15.339 -7.352 5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.581 -7.857 4.005 1.00 0.00 H new ATOM 1030 N LYS A 66 18.473 -9.659 4.858 1.00 0.00 N ATOM 1031 CA LYS A 66 19.914 -9.653 4.752 1.00 0.00 C ATOM 1032 C LYS A 66 20.517 -8.331 5.240 1.00 0.00 C ATOM 1033 O LYS A 66 21.631 -8.300 5.780 1.00 0.00 O ATOM 1034 CB LYS A 66 20.297 -9.906 3.279 1.00 0.00 C ATOM 1035 CG LYS A 66 19.633 -8.848 2.359 1.00 0.00 C ATOM 1036 CD LYS A 66 18.277 -9.352 1.807 1.00 0.00 C ATOM 1037 CE LYS A 66 17.416 -8.143 1.402 1.00 0.00 C ATOM 1038 NZ LYS A 66 16.013 -8.565 1.139 1.00 0.00 N ATOM 0 H LYS A 66 18.021 -10.172 4.101 1.00 0.00 H new ATOM 0 HA LYS A 66 20.317 -10.440 5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.380 -9.867 3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.982 -10.906 2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.480 -7.924 2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.301 -8.614 1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.440 -10.002 0.947 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.761 -9.945 2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.434 -7.395 2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 66 17.834 -7.674 0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.371 -7.766 1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.922 -8.868 0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.765 -9.356 1.767 1.00 0.00 H new ATOM 1052 N GLU A 67 19.771 -7.249 5.066 1.00 0.00 N ATOM 1053 CA GLU A 67 20.232 -5.924 5.458 1.00 0.00 C ATOM 1054 C GLU A 67 20.533 -5.861 6.947 1.00 0.00 C ATOM 1055 O GLU A 67 21.184 -4.927 7.412 1.00 0.00 O ATOM 1056 CB GLU A 67 19.187 -4.855 5.105 1.00 0.00 C ATOM 1057 CG GLU A 67 18.538 -5.154 3.738 1.00 0.00 C ATOM 1058 CD GLU A 67 19.574 -5.231 2.622 1.00 0.00 C ATOM 1059 OE1 GLU A 67 20.683 -4.781 2.817 1.00 0.00 O ATOM 1060 OE2 GLU A 67 19.243 -5.750 1.589 1.00 0.00 O ATOM 0 H GLU A 67 18.838 -7.263 4.653 1.00 0.00 H new ATOM 0 HA GLU A 67 21.151 -5.726 4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.419 -4.822 5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 67 19.659 -3.873 5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.993 -6.096 3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.810 -4.378 3.504 1.00 0.00 H new ATOM 1067 N GLY A 68 19.943 -6.763 7.711 1.00 0.00 N ATOM 1068 CA GLY A 68 20.059 -6.703 9.162 1.00 0.00 C ATOM 1069 C GLY A 68 19.021 -5.746 9.698 1.00 0.00 C ATOM 1070 O GLY A 68 18.962 -5.460 10.904 1.00 0.00 O ATOM 0 H GLY A 68 19.383 -7.539 7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.916 -7.694 9.593 1.00 0.00 H new ATOM 0 HA3 GLY A 68 21.058 -6.373 9.447 1.00 0.00 H new ATOM 1074 N ARG A 69 18.165 -5.307 8.797 1.00 0.00 N ATOM 1075 CA ARG A 69 17.052 -4.450 9.122 1.00 0.00 C ATOM 1076 C ARG A 69 15.794 -5.274 8.936 1.00 0.00 C ATOM 1077 O ARG A 69 15.643 -5.942 7.909 1.00 0.00 O ATOM 1078 CB ARG A 69 17.008 -3.271 8.131 1.00 0.00 C ATOM 1079 CG ARG A 69 18.350 -2.518 8.117 1.00 0.00 C ATOM 1080 CD ARG A 69 18.558 -1.763 9.436 1.00 0.00 C ATOM 1081 NE ARG A 69 19.890 -1.153 9.468 1.00 0.00 N ATOM 1082 CZ ARG A 69 20.440 -0.707 10.601 1.00 0.00 C ATOM 1083 NH1 ARG A 69 19.773 -0.764 11.714 1.00 0.00 N ATOM 1084 NH2 ARG A 69 21.639 -0.205 10.592 1.00 0.00 N ATOM 0 H ARG A 69 18.227 -5.541 7.806 1.00 0.00 H new ATOM 0 HA ARG A 69 17.141 -4.067 10.139 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.782 -3.640 7.130 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.205 -2.587 8.408 1.00 0.00 H new ATOM 0 HG2 ARG A 69 19.167 -3.223 7.962 1.00 0.00 H new ATOM 0 HG3 ARG A 69 18.371 -1.817 7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.795 -0.992 9.546 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.444 -2.447 10.277 1.00 0.00 H new ATOM 0 HE ARG A 69 20.414 -1.066 8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 69 18.829 -1.149 11.723 1.00 0.00 H new ATOM 0 HH12 ARG A 69 20.194 -0.423 12.579 1.00 0.00 H new ATOM 0 HH21 ARG A 69 22.163 -0.151 9.718 1.00 0.00 H new ATOM 0 HH22 ARG A 69 22.056 0.135 11.459 1.00 0.00 H new ATOM 1098 N THR A 70 14.889 -5.234 9.884 1.00 0.00 N ATOM 1099 CA THR A 70 13.656 -5.973 9.713 1.00 0.00 C ATOM 1100 C THR A 70 12.811 -5.341 8.611 1.00 0.00 C ATOM 1101 O THR A 70 12.562 -4.134 8.624 1.00 0.00 O ATOM 1102 CB THR A 70 12.885 -6.089 11.028 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.748 -6.616 12.027 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.696 -7.035 10.848 1.00 0.00 C ATOM 0 H THR A 70 14.974 -4.715 10.758 1.00 0.00 H new ATOM 0 HA THR A 70 13.903 -6.989 9.406 1.00 0.00 H new ATOM 0 HB THR A 70 12.524 -5.104 11.325 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.260 -6.692 12.874 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.149 -7.115 11.788 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.034 -6.645 10.075 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.057 -8.020 10.553 1.00 0.00 H new ATOM 1112 N HIS A 71 12.400 -6.167 7.668 1.00 0.00 N ATOM 1113 CA HIS A 71 11.619 -5.748 6.518 1.00 0.00 C ATOM 1114 C HIS A 71 10.145 -5.897 6.815 1.00 0.00 C ATOM 1115 O HIS A 71 9.694 -6.974 7.209 1.00 0.00 O ATOM 1116 CB HIS A 71 11.976 -6.651 5.334 1.00 0.00 C ATOM 1117 CG HIS A 71 11.769 -5.964 3.998 1.00 0.00 C ATOM 1118 ND1 HIS A 71 12.832 -5.670 3.156 1.00 0.00 N ATOM 1119 CD2 HIS A 71 10.631 -5.584 3.307 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.325 -5.151 2.023 1.00 0.00 C ATOM 1121 NE2 HIS A 71 10.992 -5.078 2.056 1.00 0.00 N ATOM 0 H HIS A 71 12.603 -7.167 7.679 1.00 0.00 H new ATOM 0 HA HIS A 71 11.837 -4.705 6.288 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.016 -6.964 5.421 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.367 -7.554 5.373 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.620 -5.666 3.678 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.926 -4.831 1.185 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.372 -4.728 1.326 1.00 0.00 H new ATOM 1130 N HIS A 72 9.399 -4.852 6.557 1.00 0.00 N ATOM 1131 CA HIS A 72 7.959 -4.866 6.693 1.00 0.00 C ATOM 1132 C HIS A 72 7.359 -4.966 5.302 1.00 0.00 C ATOM 1133 O HIS A 72 7.331 -3.970 4.581 1.00 0.00 O ATOM 1134 CB HIS A 72 7.489 -3.530 7.303 1.00 0.00 C ATOM 1135 CG HIS A 72 7.637 -3.495 8.805 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.538 -3.531 9.658 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.735 -3.341 9.618 1.00 0.00 C ATOM 1138 CE1 HIS A 72 6.998 -3.385 10.914 1.00 0.00 C ATOM 1139 NE2 HIS A 72 8.330 -3.267 10.950 1.00 0.00 N ATOM 0 H HIS A 72 9.775 -3.957 6.243 1.00 0.00 H new ATOM 0 HA HIS A 72 7.655 -5.700 7.326 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.063 -2.713 6.866 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.445 -3.362 7.040 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.758 -3.286 9.276 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.366 -3.365 11.790 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.921 -3.149 11.773 1.00 0.00 H new ATOM 1148 N TYR A 73 6.815 -6.126 4.949 1.00 0.00 N ATOM 1149 CA TYR A 73 6.140 -6.266 3.665 1.00 0.00 C ATOM 1150 C TYR A 73 4.658 -6.142 3.916 1.00 0.00 C ATOM 1151 O TYR A 73 4.104 -6.903 4.713 1.00 0.00 O ATOM 1152 CB TYR A 73 6.389 -7.658 3.065 1.00 0.00 C ATOM 1153 CG TYR A 73 7.854 -7.897 2.787 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.675 -8.383 3.799 1.00 0.00 C ATOM 1155 CD2 TYR A 73 8.382 -7.666 1.507 1.00 0.00 C ATOM 1156 CE1 TYR A 73 10.017 -8.640 3.545 1.00 0.00 C ATOM 1157 CE2 TYR A 73 9.737 -7.921 1.258 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.552 -8.414 2.284 1.00 0.00 C ATOM 1159 OH TYR A 73 11.886 -8.696 2.046 1.00 0.00 O ATOM 0 H TYR A 73 6.827 -6.969 5.523 1.00 0.00 H new ATOM 0 HA TYR A 73 6.513 -5.506 2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.021 -8.420 3.751 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.822 -7.761 2.140 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.269 -8.561 4.784 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.746 -7.293 0.717 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.649 -9.019 4.335 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.151 -7.738 0.278 1.00 0.00 H new ATOM 0 HH TYR A 73 12.426 -8.385 2.802 1.00 0.00 H new ATOM 1169 N MET A 74 4.021 -5.179 3.286 1.00 0.00 N ATOM 1170 CA MET A 74 2.597 -4.963 3.489 1.00 0.00 C ATOM 1171 C MET A 74 1.949 -4.435 2.248 1.00 0.00 C ATOM 1172 O MET A 74 2.358 -3.402 1.707 1.00 0.00 O ATOM 1173 CB MET A 74 2.354 -3.998 4.659 1.00 0.00 C ATOM 1174 CG MET A 74 0.845 -3.836 4.909 1.00 0.00 C ATOM 1175 SD MET A 74 0.581 -2.812 6.379 1.00 0.00 S ATOM 1176 CE MET A 74 1.200 -1.254 5.697 1.00 0.00 C ATOM 0 H MET A 74 4.461 -4.533 2.630 1.00 0.00 H new ATOM 0 HA MET A 74 2.148 -5.927 3.729 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.841 -4.375 5.558 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.800 -3.028 4.439 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.370 -3.376 4.043 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.382 -4.813 5.046 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.013 -0.447 6.405 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.272 -1.337 5.515 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.689 -1.039 4.759 1.00 0.00 H new ATOM 1186 N ARG A 75 0.863 -5.050 1.885 1.00 0.00 N ATOM 1187 CA ARG A 75 0.051 -4.550 0.826 1.00 0.00 C ATOM 1188 C ARG A 75 -1.403 -4.685 1.194 1.00 0.00 C ATOM 1189 O ARG A 75 -1.767 -5.534 2.005 1.00 0.00 O ATOM 1190 CB ARG A 75 0.368 -5.224 -0.511 1.00 0.00 C ATOM 1191 CG ARG A 75 0.107 -6.730 -0.445 1.00 0.00 C ATOM 1192 CD ARG A 75 0.337 -7.309 -1.849 1.00 0.00 C ATOM 1193 NE ARG A 75 -0.100 -8.695 -1.947 1.00 0.00 N ATOM 1194 CZ ARG A 75 0.312 -9.483 -2.940 1.00 0.00 C ATOM 1195 NH1 ARG A 75 1.189 -9.041 -3.805 1.00 0.00 N ATOM 1196 NH2 ARG A 75 -0.159 -10.691 -3.041 1.00 0.00 N ATOM 0 H ARG A 75 0.519 -5.909 2.315 1.00 0.00 H new ATOM 0 HA ARG A 75 0.277 -3.493 0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.241 -4.781 -1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.410 -5.044 -0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.774 -7.202 0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.912 -6.927 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.200 -6.707 -2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.396 -7.244 -2.099 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.734 -9.070 -1.242 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.557 -8.094 -3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.504 -9.644 -4.565 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.840 -11.031 -2.362 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.153 -11.298 -3.799 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.212 -3.802 0.674 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.612 -3.770 1.015 1.00 0.00 C ATOM 1212 C PHE A 76 -4.450 -3.307 -0.147 1.00 0.00 C ATOM 1213 O PHE A 76 -3.934 -2.734 -1.113 1.00 0.00 O ATOM 1214 CB PHE A 76 -3.854 -2.923 2.283 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.266 -1.538 2.134 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -1.938 -1.310 2.514 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -4.038 -0.484 1.628 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -1.384 -0.033 2.392 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -3.480 0.798 1.507 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.152 1.021 1.888 1.00 0.00 C ATOM 0 H PHE A 76 -1.923 -3.088 0.006 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.927 -4.788 1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.924 -2.848 2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.409 -3.419 3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.341 -2.122 2.902 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.062 -0.658 1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.360 0.140 2.688 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.075 1.612 1.120 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.721 2.007 1.793 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.728 -3.597 -0.074 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.662 -3.250 -1.118 1.00 0.00 C ATOM 1232 C HIS A 77 -7.506 -2.075 -0.680 1.00 0.00 C ATOM 1233 O HIS A 77 -7.899 -1.983 0.489 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.568 -4.446 -1.436 1.00 0.00 C ATOM 1235 CG HIS A 77 -6.959 -5.293 -2.523 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -5.764 -5.968 -2.359 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -7.400 -5.611 -3.786 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -5.532 -6.659 -3.494 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -6.499 -6.473 -4.396 1.00 0.00 N ATOM 0 H HIS A 77 -6.151 -4.083 0.717 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.104 -2.980 -2.014 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.716 -5.047 -0.539 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.550 -4.093 -1.749 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.311 -5.245 -4.236 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.668 -7.287 -3.654 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -6.562 -6.877 -5.331 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.800 -1.190 -1.601 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.630 -0.055 -1.289 1.00 0.00 C ATOM 1250 C VAL A 78 -9.754 0.062 -2.287 1.00 0.00 C ATOM 1251 O VAL A 78 -9.599 -0.289 -3.455 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.798 1.253 -1.241 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.474 1.003 -0.513 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.505 1.764 -2.660 1.00 0.00 C ATOM 0 H VAL A 78 -7.478 -1.234 -2.568 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.059 -0.210 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.377 2.006 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.895 1.926 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.676 0.668 0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.907 0.236 -1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.920 2.682 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.942 1.009 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.444 1.963 -3.176 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.827 0.659 -1.858 1.00 0.00 N ATOM 1265 CA GLU A 79 -11.946 0.924 -2.715 1.00 0.00 C ATOM 1266 C GLU A 79 -12.003 2.399 -3.008 1.00 0.00 C ATOM 1267 O GLU A 79 -12.078 3.232 -2.091 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.245 0.438 -2.066 1.00 0.00 C ATOM 1269 CG GLU A 79 -13.237 -1.105 -2.032 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.428 -1.649 -1.266 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.317 -0.887 -0.950 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.444 -2.836 -1.014 1.00 0.00 O ATOM 0 H GLU A 79 -10.952 0.978 -0.897 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.826 0.382 -3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.335 0.837 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.106 0.799 -2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.250 -1.493 -3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.314 -1.455 -1.569 1.00 0.00 H new ATOM 1279 N SER A 80 -11.889 2.720 -4.273 1.00 0.00 N ATOM 1280 CA SER A 80 -11.866 4.086 -4.716 1.00 0.00 C ATOM 1281 C SER A 80 -13.270 4.589 -4.904 1.00 0.00 C ATOM 1282 O SER A 80 -14.234 3.912 -4.533 1.00 0.00 O ATOM 1283 CB SER A 80 -11.074 4.197 -6.019 1.00 0.00 C ATOM 1284 OG SER A 80 -11.909 3.844 -7.111 1.00 0.00 O ATOM 0 H SER A 80 -11.809 2.036 -5.025 1.00 0.00 H new ATOM 0 HA SER A 80 -11.378 4.701 -3.960 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.702 5.214 -6.146 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.204 3.541 -5.985 1.00 0.00 H new ATOM 0 HG SER A 80 -11.398 3.900 -7.945 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.397 5.759 -5.497 1.00 0.00 N ATOM 1291 CA LYS A 81 -14.697 6.312 -5.741 1.00 0.00 C ATOM 1292 C LYS A 81 -15.434 5.402 -6.715 1.00 0.00 C ATOM 1293 O LYS A 81 -16.665 5.372 -6.738 1.00 0.00 O ATOM 1294 CB LYS A 81 -14.580 7.698 -6.370 1.00 0.00 C ATOM 1295 CG LYS A 81 -13.690 8.640 -5.530 1.00 0.00 C ATOM 1296 CD LYS A 81 -14.191 8.800 -4.087 1.00 0.00 C ATOM 1297 CE LYS A 81 -14.458 10.292 -3.824 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.551 10.585 -2.376 1.00 0.00 N ATOM 0 H LYS A 81 -12.617 6.335 -5.814 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.233 6.393 -4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.165 7.607 -7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.573 8.134 -6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.671 8.253 -5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.652 9.619 -6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.102 8.220 -3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.450 8.418 -3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.659 10.888 -4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.385 10.588 -4.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.096 11.459 -2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.027 9.797 -1.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.595 10.705 -1.984 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.666 4.774 -7.615 1.00 0.00 N ATOM 1313 CA LYS A 82 -15.244 3.963 -8.685 1.00 0.00 C ATOM 1314 C LYS A 82 -14.645 2.551 -8.718 1.00 0.00 C ATOM 1315 O LYS A 82 -15.302 1.602 -9.163 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.990 4.646 -10.043 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.561 6.081 -10.044 1.00 0.00 C ATOM 1318 CD LYS A 82 -17.090 6.050 -9.884 1.00 0.00 C ATOM 1319 CE LYS A 82 -17.606 7.467 -9.614 1.00 0.00 C ATOM 1320 NZ LYS A 82 -17.432 8.301 -10.829 1.00 0.00 N ATOM 0 H LYS A 82 -13.647 4.814 -7.620 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.313 3.876 -8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.920 4.674 -10.248 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.452 4.064 -10.841 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -15.116 6.657 -9.233 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.296 6.584 -10.974 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.552 5.649 -10.786 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.367 5.388 -9.063 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -18.658 7.434 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -17.065 7.909 -8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.889 9.224 -10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.418 8.441 -11.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.868 7.823 -11.643 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.358 2.444 -8.406 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.632 1.176 -8.572 1.00 0.00 C ATOM 1336 C LYS A 83 -11.921 0.750 -7.293 1.00 0.00 C ATOM 1337 O LYS A 83 -11.683 1.562 -6.404 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.615 1.298 -9.713 1.00 0.00 C ATOM 1339 CG LYS A 83 -12.344 1.651 -11.023 1.00 0.00 C ATOM 1340 CD LYS A 83 -13.233 0.486 -11.480 1.00 0.00 C ATOM 1341 CE LYS A 83 -14.157 0.957 -12.619 1.00 0.00 C ATOM 1342 NZ LYS A 83 -15.577 0.715 -12.240 1.00 0.00 N ATOM 0 H LYS A 83 -12.793 3.210 -8.039 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.368 0.409 -8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.879 2.067 -9.477 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.071 0.361 -9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.952 2.544 -10.877 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.615 1.885 -11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.615 -0.345 -11.820 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.828 0.119 -10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.998 2.017 -12.816 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.919 0.423 -13.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.198 1.316 -12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.814 -0.285 -12.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.712 0.945 -11.235 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.547 -0.513 -7.242 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.821 -1.075 -6.113 1.00 0.00 C ATOM 1358 C ILE A 84 -9.339 -1.064 -6.462 1.00 0.00 C ATOM 1359 O ILE A 84 -8.972 -1.427 -7.575 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.273 -2.519 -5.896 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -12.791 -2.556 -5.739 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -10.631 -3.066 -4.615 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.272 -3.994 -5.845 1.00 0.00 C ATOM 0 H ILE A 84 -11.738 -1.185 -7.985 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.008 -0.497 -5.208 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.972 -3.124 -6.751 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.079 -2.134 -4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.263 -1.945 -6.509 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.952 -4.096 -4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.546 -3.035 -4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -10.939 -2.457 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.356 -4.024 -5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -12.996 -4.399 -6.819 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -12.809 -4.591 -5.059 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.504 -0.583 -5.561 1.00 0.00 N ATOM 1376 CA ALA A 85 -7.071 -0.479 -5.837 1.00 0.00 C ATOM 1377 C ALA A 85 -6.253 -1.292 -4.853 1.00 0.00 C ATOM 1378 O ALA A 85 -6.675 -1.527 -3.725 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.617 0.984 -5.813 1.00 0.00 C ATOM 0 H ALA A 85 -8.784 -0.258 -4.635 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.903 -0.885 -6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.548 1.037 -6.021 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.162 1.547 -6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.817 1.411 -4.830 1.00 0.00 H new ATOM 1385 N LEU A 86 -5.069 -1.676 -5.280 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.131 -2.422 -4.453 1.00 0.00 C ATOM 1387 C LEU A 86 -2.928 -1.557 -4.107 1.00 0.00 C ATOM 1388 O LEU A 86 -2.322 -0.955 -4.988 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.690 -3.699 -5.201 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.422 -4.304 -4.574 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.696 -4.756 -3.150 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -1.969 -5.502 -5.409 1.00 0.00 C ATOM 0 H LEU A 86 -4.723 -1.480 -6.219 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.619 -2.709 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.495 -4.433 -5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.503 -3.463 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.640 -3.545 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.788 -5.181 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.013 -3.902 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.483 -5.510 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.071 -5.934 -4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.760 -6.252 -5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.753 -5.176 -6.426 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.576 -1.507 -2.834 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.418 -0.743 -2.398 1.00 0.00 C ATOM 1406 C VAL A 87 -0.404 -1.681 -1.766 1.00 0.00 C ATOM 1407 O VAL A 87 -0.753 -2.455 -0.872 1.00 0.00 O ATOM 1408 CB VAL A 87 -1.843 0.333 -1.382 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.631 1.175 -0.968 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -2.916 1.240 -2.000 1.00 0.00 C ATOM 0 H VAL A 87 -3.074 -1.986 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.968 -0.250 -3.260 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.252 -0.159 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.943 1.933 -0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.121 0.531 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.208 1.661 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.212 1.999 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.514 1.725 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.785 0.641 -2.274 1.00 0.00 H new ATOM 1420 N HIS A 88 0.843 -1.610 -2.223 1.00 0.00 N ATOM 1421 CA HIS A 88 1.910 -2.459 -1.693 1.00 0.00 C ATOM 1422 C HIS A 88 3.044 -1.606 -1.153 1.00 0.00 C ATOM 1423 O HIS A 88 3.591 -0.757 -1.868 1.00 0.00 O ATOM 1424 CB HIS A 88 2.404 -3.437 -2.782 1.00 0.00 C ATOM 1425 CG HIS A 88 3.695 -4.127 -2.374 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.593 -4.617 -3.313 1.00 0.00 N ATOM 1427 CD2 HIS A 88 4.254 -4.408 -1.145 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.629 -5.156 -2.647 1.00 0.00 C ATOM 1429 NE2 HIS A 88 5.477 -5.059 -1.324 1.00 0.00 N ATOM 0 H HIS A 88 1.142 -0.972 -2.961 1.00 0.00 H new ATOM 0 HA HIS A 88 1.518 -3.051 -0.866 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.636 -4.186 -2.974 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.560 -2.895 -3.714 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.486 -4.575 -4.326 1.00 0.00 H new ATOM 0 HD2 HIS A 88 3.814 -4.162 -0.190 1.00 0.00 H new ATOM 0 HE1 HIS A 88 6.483 -5.613 -3.125 1.00 0.00 H new ATOM 1438 N LEU A 89 3.349 -1.789 0.128 1.00 0.00 N ATOM 1439 CA LEU A 89 4.387 -1.025 0.802 1.00 0.00 C ATOM 1440 C LEU A 89 5.384 -1.935 1.505 1.00 0.00 C ATOM 1441 O LEU A 89 5.001 -2.804 2.295 1.00 0.00 O ATOM 1442 CB LEU A 89 3.770 -0.042 1.814 1.00 0.00 C ATOM 1443 CG LEU A 89 4.879 0.830 2.440 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.336 2.224 2.771 1.00 0.00 C ATOM 1445 CD2 LEU A 89 5.394 0.170 3.727 1.00 0.00 C ATOM 0 H LEU A 89 2.882 -2.471 0.726 1.00 0.00 H new ATOM 0 HA LEU A 89 4.922 -0.460 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.034 0.591 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.243 -0.592 2.594 1.00 0.00 H new ATOM 0 HG LEU A 89 5.694 0.924 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.129 2.828 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.980 2.702 1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.512 2.135 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.177 0.789 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.573 0.067 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.798 -0.815 3.494 1.00 0.00 H new ATOM 1457 N GLU A 90 6.658 -1.636 1.324 1.00 0.00 N ATOM 1458 CA GLU A 90 7.720 -2.286 2.065 1.00 0.00 C ATOM 1459 C GLU A 90 8.479 -1.281 2.893 1.00 0.00 C ATOM 1460 O GLU A 90 8.945 -0.257 2.373 1.00 0.00 O ATOM 1461 CB GLU A 90 8.685 -3.017 1.146 1.00 0.00 C ATOM 1462 CG GLU A 90 8.017 -4.276 0.589 1.00 0.00 C ATOM 1463 CD GLU A 90 8.935 -4.983 -0.380 1.00 0.00 C ATOM 1464 OE1 GLU A 90 10.123 -4.724 -0.340 1.00 0.00 O ATOM 1465 OE2 GLU A 90 8.443 -5.756 -1.161 1.00 0.00 O ATOM 0 H GLU A 90 6.984 -0.935 0.658 1.00 0.00 H new ATOM 0 HA GLU A 90 7.251 -3.020 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.989 -2.363 0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.589 -3.285 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.756 -4.948 1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.087 -4.009 0.087 1.00 0.00 H new ATOM 1472 N ALA A 91 8.665 -1.595 4.155 1.00 0.00 N ATOM 1473 CA ALA A 91 9.430 -0.742 5.049 1.00 0.00 C ATOM 1474 C ALA A 91 10.481 -1.558 5.770 1.00 0.00 C ATOM 1475 O ALA A 91 10.310 -2.762 5.941 1.00 0.00 O ATOM 1476 CB ALA A 91 8.514 -0.042 6.065 1.00 0.00 C ATOM 0 H ALA A 91 8.296 -2.440 4.592 1.00 0.00 H new ATOM 0 HA ALA A 91 9.920 0.026 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.113 0.589 6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.786 0.573 5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.992 -0.791 6.660 1.00 0.00 H new ATOM 1482 N LYS A 92 11.540 -0.909 6.234 1.00 0.00 N ATOM 1483 CA LYS A 92 12.567 -1.609 6.995 1.00 0.00 C ATOM 1484 C LYS A 92 12.800 -0.971 8.347 1.00 0.00 C ATOM 1485 O LYS A 92 12.838 0.252 8.474 1.00 0.00 O ATOM 1486 CB LYS A 92 13.903 -1.723 6.234 1.00 0.00 C ATOM 1487 CG LYS A 92 14.485 -0.330 5.952 1.00 0.00 C ATOM 1488 CD LYS A 92 15.946 -0.465 5.489 1.00 0.00 C ATOM 1489 CE LYS A 92 16.548 0.926 5.229 1.00 0.00 C ATOM 1490 NZ LYS A 92 15.961 1.511 3.994 1.00 0.00 N ATOM 0 H LYS A 92 11.710 0.088 6.100 1.00 0.00 H new ATOM 0 HA LYS A 92 12.182 -2.618 7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.612 -2.308 6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.749 -2.255 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.895 0.173 5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.433 0.286 6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.530 -0.986 6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.994 -1.066 4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.354 1.580 6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.630 0.850 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 16.539 2.318 3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.941 0.790 3.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.992 1.835 4.190 1.00 0.00 H new ATOM 1504 N GLU A 93 13.011 -1.803 9.335 1.00 0.00 N ATOM 1505 CA GLU A 93 13.314 -1.341 10.675 1.00 0.00 C ATOM 1506 C GLU A 93 14.691 -0.724 10.720 1.00 0.00 C ATOM 1507 O GLU A 93 15.640 -1.300 10.189 1.00 0.00 O ATOM 1508 CB GLU A 93 13.290 -2.521 11.655 1.00 0.00 C ATOM 1509 CG GLU A 93 12.017 -2.491 12.504 1.00 0.00 C ATOM 1510 CD GLU A 93 12.305 -1.847 13.847 1.00 0.00 C ATOM 1511 OE1 GLU A 93 13.094 -0.913 13.879 1.00 0.00 O ATOM 1512 OE2 GLU A 93 11.738 -2.295 14.823 1.00 0.00 O ATOM 0 H GLU A 93 12.979 -2.818 9.239 1.00 0.00 H new ATOM 0 HA GLU A 93 12.564 -0.600 10.954 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.344 -3.460 11.104 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.166 -2.481 12.302 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.236 -1.935 11.985 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.643 -3.504 12.650 1.00 0.00 H new ATOM 1519 N SER A 94 14.843 0.292 11.552 1.00 0.00 N ATOM 1520 CA SER A 94 16.162 0.762 11.894 1.00 0.00 C ATOM 1521 C SER A 94 16.822 -0.354 12.693 1.00 0.00 C ATOM 1522 O SER A 94 17.527 -1.205 12.133 1.00 0.00 O ATOM 1523 CB SER A 94 16.085 2.059 12.714 1.00 0.00 C ATOM 1524 OG SER A 94 15.823 3.159 11.841 1.00 0.00 O ATOM 0 H SER A 94 14.076 0.798 11.995 1.00 0.00 H new ATOM 0 HA SER A 94 16.741 0.996 11.000 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.298 1.981 13.465 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.021 2.220 13.249 1.00 0.00 H new ATOM 0 HG SER A 94 15.772 3.986 12.364 1.00 0.00 H new ATOM 1530 N LYS A 95 16.403 -0.490 13.936 1.00 0.00 N ATOM 1531 CA LYS A 95 16.756 -1.650 14.730 1.00 0.00 C ATOM 1532 C LYS A 95 15.572 -2.093 15.575 1.00 0.00 C ATOM 1533 O LYS A 95 15.252 -3.283 15.643 1.00 0.00 O ATOM 1534 CB LYS A 95 17.989 -1.389 15.601 1.00 0.00 C ATOM 1535 CG LYS A 95 18.728 -2.711 15.841 1.00 0.00 C ATOM 1536 CD LYS A 95 19.420 -3.165 14.544 1.00 0.00 C ATOM 1537 CE LYS A 95 18.838 -4.514 14.097 1.00 0.00 C ATOM 1538 NZ LYS A 95 19.776 -5.190 13.160 1.00 0.00 N ATOM 0 H LYS A 95 15.816 0.191 14.419 1.00 0.00 H new ATOM 0 HA LYS A 95 17.014 -2.457 14.045 1.00 0.00 H new ATOM 0 HB2 LYS A 95 18.650 -0.673 15.111 1.00 0.00 H new ATOM 0 HB3 LYS A 95 17.690 -0.948 16.552 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.466 -2.587 16.633 1.00 0.00 H new ATOM 0 HG3 LYS A 95 18.026 -3.475 16.176 1.00 0.00 H new ATOM 0 HD2 LYS A 95 19.277 -2.419 13.763 1.00 0.00 H new ATOM 0 HD3 LYS A 95 20.494 -3.256 14.705 1.00 0.00 H new ATOM 0 HE2 LYS A 95 18.660 -5.148 14.966 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.874 -4.360 13.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 19.418 -5.103 12.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 20.713 -4.744 13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 19.853 -6.196 13.411 1.00 0.00 H new ATOM 1552 N GLN A 96 14.922 -1.133 16.211 1.00 0.00 N ATOM 1553 CA GLN A 96 13.740 -1.400 17.030 1.00 0.00 C ATOM 1554 C GLN A 96 12.793 -0.200 17.014 1.00 0.00 C ATOM 1555 O GLN A 96 12.047 0.030 17.973 1.00 0.00 O ATOM 1556 CB GLN A 96 14.113 -1.763 18.490 1.00 0.00 C ATOM 1557 CG GLN A 96 15.634 -1.932 18.652 1.00 0.00 C ATOM 1558 CD GLN A 96 16.299 -0.571 18.810 1.00 0.00 C ATOM 1559 OE1 GLN A 96 15.620 0.439 18.991 1.00 0.00 O ATOM 1560 NE2 GLN A 96 17.583 -0.483 18.773 1.00 0.00 N ATOM 0 H GLN A 96 15.193 -0.150 16.178 1.00 0.00 H new ATOM 0 HA GLN A 96 13.235 -2.262 16.593 1.00 0.00 H new ATOM 0 HB2 GLN A 96 13.758 -0.983 19.163 1.00 0.00 H new ATOM 0 HB3 GLN A 96 13.610 -2.686 18.778 1.00 0.00 H new ATOM 0 HG2 GLN A 96 15.848 -2.553 19.522 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.045 -2.447 17.784 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.147 -1.319 18.623 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.036 0.423 18.894 1.00 0.00 H new ATOM 1569 N ASN A 97 12.864 0.590 15.954 1.00 0.00 N ATOM 1570 CA ASN A 97 12.090 1.828 15.865 1.00 0.00 C ATOM 1571 C ASN A 97 10.601 1.587 15.725 1.00 0.00 C ATOM 1572 O ASN A 97 10.162 0.552 15.218 1.00 0.00 O ATOM 1573 CB ASN A 97 12.567 2.720 14.718 1.00 0.00 C ATOM 1574 CG ASN A 97 11.816 4.046 14.768 1.00 0.00 C ATOM 1575 OD1 ASN A 97 11.456 4.506 15.852 1.00 0.00 O ATOM 1576 ND2 ASN A 97 11.536 4.679 13.677 1.00 0.00 N ATOM 0 H ASN A 97 13.449 0.400 15.140 1.00 0.00 H new ATOM 0 HA ASN A 97 12.262 2.340 16.812 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.640 2.893 14.798 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.394 2.226 13.762 1.00 0.00 H new ATOM 0 HD21 ASN A 97 11.018 5.557 13.715 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.833 4.301 12.777 1.00 0.00 H new ATOM 1583 N TYR A 98 9.829 2.581 16.131 1.00 0.00 N ATOM 1584 CA TYR A 98 8.380 2.546 16.023 1.00 0.00 C ATOM 1585 C TYR A 98 7.976 2.450 14.563 1.00 0.00 C ATOM 1586 O TYR A 98 7.063 1.704 14.202 1.00 0.00 O ATOM 1587 CB TYR A 98 7.795 3.835 16.603 1.00 0.00 C ATOM 1588 CG TYR A 98 8.179 3.958 18.054 1.00 0.00 C ATOM 1589 CD1 TYR A 98 9.380 4.581 18.402 1.00 0.00 C ATOM 1590 CD2 TYR A 98 7.340 3.458 19.051 1.00 0.00 C ATOM 1591 CE1 TYR A 98 9.748 4.704 19.741 1.00 0.00 C ATOM 1592 CE2 TYR A 98 7.710 3.578 20.393 1.00 0.00 C ATOM 1593 CZ TYR A 98 8.913 4.203 20.736 1.00 0.00 C ATOM 1594 OH TYR A 98 9.266 4.331 22.058 1.00 0.00 O ATOM 0 H TYR A 98 10.191 3.439 16.547 1.00 0.00 H new ATOM 0 HA TYR A 98 8.005 1.681 16.570 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.163 4.696 16.045 1.00 0.00 H new ATOM 0 HB3 TYR A 98 6.710 3.831 16.503 1.00 0.00 H new ATOM 0 HD1 TYR A 98 10.027 4.969 17.629 1.00 0.00 H new ATOM 0 HD2 TYR A 98 6.408 2.980 18.786 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.677 5.186 20.006 1.00 0.00 H new ATOM 0 HE2 TYR A 98 7.066 3.187 21.167 1.00 0.00 H new ATOM 0 HH TYR A 98 8.573 3.929 22.622 1.00 0.00 H new ATOM 1604 N GLN A 99 8.611 3.275 13.738 1.00 0.00 N ATOM 1605 CA GLN A 99 8.292 3.329 12.322 1.00 0.00 C ATOM 1606 C GLN A 99 9.476 2.934 11.454 1.00 0.00 C ATOM 1607 O GLN A 99 10.467 3.664 11.376 1.00 0.00 O ATOM 1608 CB GLN A 99 7.789 4.714 11.929 1.00 0.00 C ATOM 1609 CG GLN A 99 6.568 5.085 12.786 1.00 0.00 C ATOM 1610 CD GLN A 99 5.363 4.236 12.386 1.00 0.00 C ATOM 1611 OE1 GLN A 99 4.466 4.721 11.714 1.00 0.00 O ATOM 1612 NE2 GLN A 99 5.291 2.986 12.753 1.00 0.00 N ATOM 0 H GLN A 99 9.350 3.915 14.029 1.00 0.00 H new ATOM 0 HA GLN A 99 7.498 2.603 12.148 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.580 5.451 12.067 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.521 4.728 10.872 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.795 4.932 13.841 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.335 6.142 12.660 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.037 2.575 13.314 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.489 2.419 12.479 1.00 0.00 H new ATOM 1621 N PRO A 100 9.363 1.841 10.756 1.00 0.00 N ATOM 1622 CA PRO A 100 10.418 1.383 9.806 1.00 0.00 C ATOM 1623 C PRO A 100 10.502 2.268 8.563 1.00 0.00 C ATOM 1624 O PRO A 100 9.522 2.910 8.168 1.00 0.00 O ATOM 1625 CB PRO A 100 9.996 -0.046 9.457 1.00 0.00 C ATOM 1626 CG PRO A 100 8.525 -0.048 9.660 1.00 0.00 C ATOM 1627 CD PRO A 100 8.281 0.845 10.867 1.00 0.00 C ATOM 0 HA PRO A 100 11.416 1.434 10.241 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.257 -0.299 8.429 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.488 -0.776 10.100 1.00 0.00 H new ATOM 0 HG2 PRO A 100 8.007 0.332 8.780 1.00 0.00 H new ATOM 0 HG3 PRO A 100 8.155 -1.058 9.837 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.296 1.311 10.834 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.338 0.287 11.802 1.00 0.00 H new ATOM 1635 N ASP A 101 11.668 2.287 7.955 1.00 0.00 N ATOM 1636 CA ASP A 101 11.925 3.059 6.737 1.00 0.00 C ATOM 1637 C ASP A 101 11.108 2.520 5.586 1.00 0.00 C ATOM 1638 O ASP A 101 11.237 1.349 5.249 1.00 0.00 O ATOM 1639 CB ASP A 101 13.404 2.931 6.375 1.00 0.00 C ATOM 1640 CG ASP A 101 13.727 3.717 5.136 1.00 0.00 C ATOM 1641 OD1 ASP A 101 13.603 4.916 5.174 1.00 0.00 O ATOM 1642 OD2 ASP A 101 14.109 3.104 4.160 1.00 0.00 O ATOM 0 H ASP A 101 12.479 1.765 8.288 1.00 0.00 H new ATOM 0 HA ASP A 101 11.654 4.099 6.917 1.00 0.00 H new ATOM 0 HB2 ASP A 101 14.017 3.285 7.204 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.654 1.882 6.219 1.00 0.00 H new ATOM 1647 N PHE A 102 10.348 3.386 4.915 1.00 0.00 N ATOM 1648 CA PHE A 102 9.585 2.949 3.746 1.00 0.00 C ATOM 1649 C PHE A 102 10.525 2.764 2.573 1.00 0.00 C ATOM 1650 O PHE A 102 10.834 3.724 1.854 1.00 0.00 O ATOM 1651 CB PHE A 102 8.548 4.005 3.363 1.00 0.00 C ATOM 1652 CG PHE A 102 7.523 4.184 4.460 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.655 3.138 4.777 1.00 0.00 C ATOM 1654 CD2 PHE A 102 7.428 5.405 5.144 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.694 3.305 5.773 1.00 0.00 C ATOM 1656 CE2 PHE A 102 6.465 5.569 6.145 1.00 0.00 C ATOM 1657 CZ PHE A 102 5.598 4.519 6.456 1.00 0.00 C ATOM 0 H PHE A 102 10.245 4.372 5.153 1.00 0.00 H new ATOM 0 HA PHE A 102 9.084 2.012 3.990 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.046 4.955 3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.049 3.711 2.439 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.728 2.198 4.250 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.097 6.217 4.898 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.023 2.494 6.017 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.392 6.506 6.677 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.852 4.646 7.226 1.00 0.00 H new ATOM 1667 N ILE A 103 10.959 1.542 2.359 1.00 0.00 N ATOM 1668 CA ILE A 103 11.841 1.255 1.248 1.00 0.00 C ATOM 1669 C ILE A 103 11.103 1.417 -0.067 1.00 0.00 C ATOM 1670 O ILE A 103 11.656 1.917 -1.045 1.00 0.00 O ATOM 1671 CB ILE A 103 12.402 -0.168 1.362 1.00 0.00 C ATOM 1672 CG1 ILE A 103 13.293 -0.248 2.595 1.00 0.00 C ATOM 1673 CG2 ILE A 103 13.269 -0.476 0.123 1.00 0.00 C ATOM 1674 CD1 ILE A 103 13.652 -1.705 2.871 1.00 0.00 C ATOM 0 H ILE A 103 10.718 0.735 2.935 1.00 0.00 H new ATOM 0 HA ILE A 103 12.670 1.962 1.276 1.00 0.00 H new ATOM 0 HB ILE A 103 11.579 -0.880 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.199 0.338 2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.780 0.180 3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.669 -1.487 0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.659 -0.396 -0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 103 14.092 0.237 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.290 -1.762 3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.741 -2.278 3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.182 -2.118 2.013 1.00 0.00 H new ATOM 1686 N ASN A 104 9.891 0.876 -0.106 1.00 0.00 N ATOM 1687 CA ASN A 104 9.113 0.801 -1.337 1.00 0.00 C ATOM 1688 C ASN A 104 7.634 0.893 -1.042 1.00 0.00 C ATOM 1689 O ASN A 104 7.143 0.207 -0.154 1.00 0.00 O ATOM 1690 CB ASN A 104 9.413 -0.532 -2.039 1.00 0.00 C ATOM 1691 CG ASN A 104 8.503 -0.739 -3.247 1.00 0.00 C ATOM 1692 OD1 ASN A 104 7.843 -1.777 -3.351 1.00 0.00 O ATOM 1693 ND2 ASN A 104 8.426 0.175 -4.162 1.00 0.00 N ATOM 0 H ASN A 104 9.422 0.479 0.709 1.00 0.00 H new ATOM 0 HA ASN A 104 9.389 1.636 -1.981 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.455 -0.551 -2.358 1.00 0.00 H new ATOM 0 HB3 ASN A 104 9.280 -1.354 -1.336 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.819 0.038 -4.970 1.00 0.00 H new ATOM 0 HD22 ASN A 104 8.972 1.032 -4.074 1.00 0.00 H new ATOM 1700 N MET A 105 6.918 1.690 -1.819 1.00 0.00 N ATOM 1701 CA MET A 105 5.472 1.787 -1.680 1.00 0.00 C ATOM 1702 C MET A 105 4.829 2.230 -2.989 1.00 0.00 C ATOM 1703 O MET A 105 5.224 3.255 -3.572 1.00 0.00 O ATOM 1704 CB MET A 105 5.084 2.689 -0.478 1.00 0.00 C ATOM 1705 CG MET A 105 4.337 3.951 -0.928 1.00 0.00 C ATOM 1706 SD MET A 105 2.716 3.506 -1.619 1.00 0.00 S ATOM 1707 CE MET A 105 1.922 3.018 -0.069 1.00 0.00 C ATOM 0 H MET A 105 7.313 2.279 -2.552 1.00 0.00 H new ATOM 0 HA MET A 105 5.076 0.796 -1.459 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.459 2.124 0.213 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.984 2.975 0.067 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.207 4.627 -0.083 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.925 4.484 -1.675 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.868 3.296 -0.097 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.010 1.939 0.061 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.409 3.524 0.764 1.00 0.00 H new ATOM 1717 N TYR A 106 3.870 1.445 -3.470 1.00 0.00 N ATOM 1718 CA TYR A 106 3.198 1.755 -4.724 1.00 0.00 C ATOM 1719 C TYR A 106 1.751 1.287 -4.718 1.00 0.00 C ATOM 1720 O TYR A 106 1.348 0.472 -3.878 1.00 0.00 O ATOM 1721 CB TYR A 106 3.956 1.175 -5.924 1.00 0.00 C ATOM 1722 CG TYR A 106 3.996 -0.329 -5.851 1.00 0.00 C ATOM 1723 CD1 TYR A 106 4.989 -0.967 -5.108 1.00 0.00 C ATOM 1724 CD2 TYR A 106 3.040 -1.088 -6.538 1.00 0.00 C ATOM 1725 CE1 TYR A 106 5.027 -2.358 -5.051 1.00 0.00 C ATOM 1726 CE2 TYR A 106 3.077 -2.478 -6.483 1.00 0.00 C ATOM 1727 CZ TYR A 106 4.071 -3.116 -5.740 1.00 0.00 C ATOM 1728 OH TYR A 106 4.114 -4.496 -5.687 1.00 0.00 O ATOM 0 H TYR A 106 3.543 0.594 -3.012 1.00 0.00 H new ATOM 0 HA TYR A 106 3.193 2.840 -4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.474 1.487 -6.850 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.972 1.570 -5.945 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.727 -0.383 -4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.271 -0.593 -7.113 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.795 -2.853 -4.475 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.339 -3.061 -7.014 1.00 0.00 H new ATOM 0 HH TYR A 106 3.379 -4.867 -6.219 1.00 0.00 H new ATOM 1738 N VAL A 107 0.971 1.841 -5.629 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.446 1.559 -5.725 1.00 0.00 C ATOM 1740 C VAL A 107 -0.784 0.966 -7.090 1.00 0.00 C ATOM 1741 O VAL A 107 -0.473 1.560 -8.136 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.230 2.865 -5.494 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.710 2.689 -5.846 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.090 3.297 -4.031 1.00 0.00 C ATOM 0 H VAL A 107 1.308 2.504 -6.327 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.724 0.827 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.816 3.635 -6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.239 3.626 -5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.804 2.407 -6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.142 1.908 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.645 4.221 -3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.487 2.517 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.038 3.461 -3.799 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.497 -0.153 -7.074 1.00 0.00 N ATOM 1755 CA ASP A 108 -1.987 -0.775 -8.289 1.00 0.00 C ATOM 1756 C ASP A 108 -3.459 -0.456 -8.459 1.00 0.00 C ATOM 1757 O ASP A 108 -4.314 -1.012 -7.750 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.806 -2.302 -8.250 1.00 0.00 C ATOM 1759 CG ASP A 108 -1.999 -2.904 -9.644 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -1.831 -2.192 -10.618 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -2.306 -4.075 -9.721 1.00 0.00 O ATOM 0 H ASP A 108 -1.749 -0.650 -6.220 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.412 -0.381 -9.127 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.811 -2.546 -7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.523 -2.741 -7.556 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.763 0.399 -9.404 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.135 0.727 -9.711 1.00 0.00 C ATOM 1768 C VAL A 109 -5.548 -0.026 -10.973 1.00 0.00 C ATOM 1769 O VAL A 109 -4.873 0.070 -12.006 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.291 2.244 -9.877 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -6.744 2.591 -10.221 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.900 2.941 -8.563 1.00 0.00 C ATOM 0 H VAL A 109 -3.074 0.884 -9.978 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.789 0.423 -8.894 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.643 2.583 -10.685 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.843 3.670 -10.336 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.025 2.099 -11.152 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.399 2.250 -9.419 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.009 4.020 -8.677 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.549 2.593 -7.759 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.864 2.705 -8.320 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.523 -0.898 -10.872 1.00 0.00 N ATOM 1783 CA PRO A 110 -6.862 -1.803 -12.010 1.00 0.00 C ATOM 1784 C PRO A 110 -7.170 -1.028 -13.280 1.00 0.00 C ATOM 1785 O PRO A 110 -7.922 -0.044 -13.266 1.00 0.00 O ATOM 1786 CB PRO A 110 -8.103 -2.554 -11.517 1.00 0.00 C ATOM 1787 CG PRO A 110 -7.979 -2.541 -10.035 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.361 -1.191 -9.691 1.00 0.00 C ATOM 0 HA PRO A 110 -6.034 -2.462 -12.271 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.020 -2.063 -11.843 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -8.131 -3.572 -11.904 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.952 -2.660 -9.559 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.351 -3.361 -9.686 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.122 -0.426 -9.537 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.768 -1.240 -8.778 1.00 0.00 H new ATOM 1796 N GLY A 111 -6.588 -1.478 -14.376 1.00 0.00 N ATOM 1797 CA GLY A 111 -6.766 -0.839 -15.667 1.00 0.00 C ATOM 1798 C GLY A 111 -6.001 0.475 -15.733 1.00 0.00 C ATOM 1799 O GLY A 111 -5.914 1.097 -16.797 1.00 0.00 O ATOM 0 H GLY A 111 -5.979 -2.296 -14.397 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.421 -1.505 -16.458 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.826 -0.657 -15.844 1.00 0.00 H new ATOM 1803 N GLU A 112 -5.416 0.881 -14.608 1.00 0.00 N ATOM 1804 CA GLU A 112 -4.645 2.117 -14.539 1.00 0.00 C ATOM 1805 C GLU A 112 -3.171 1.813 -14.318 1.00 0.00 C ATOM 1806 O GLU A 112 -2.798 0.679 -13.999 1.00 0.00 O ATOM 1807 CB GLU A 112 -5.148 3.002 -13.397 1.00 0.00 C ATOM 1808 CG GLU A 112 -6.615 3.385 -13.618 1.00 0.00 C ATOM 1809 CD GLU A 112 -6.771 4.154 -14.908 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -6.082 5.139 -15.080 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -7.572 3.750 -15.718 1.00 0.00 O ATOM 0 H GLU A 112 -5.463 0.367 -13.728 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.770 2.643 -15.486 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.043 2.476 -12.448 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.537 3.902 -13.331 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.231 2.487 -13.646 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.969 3.989 -12.782 1.00 0.00 H new ATOM 1818 N LYS A 113 -2.332 2.812 -14.528 1.00 0.00 N ATOM 1819 CA LYS A 113 -0.906 2.644 -14.387 1.00 0.00 C ATOM 1820 C LYS A 113 -0.536 2.448 -12.929 1.00 0.00 C ATOM 1821 O LYS A 113 -1.022 3.162 -12.051 1.00 0.00 O ATOM 1822 CB LYS A 113 -0.173 3.881 -14.917 1.00 0.00 C ATOM 1823 CG LYS A 113 -0.705 4.257 -16.307 1.00 0.00 C ATOM 1824 CD LYS A 113 -0.662 3.031 -17.213 1.00 0.00 C ATOM 1825 CE LYS A 113 -0.636 3.450 -18.692 1.00 0.00 C ATOM 1826 NZ LYS A 113 -1.104 4.859 -18.843 1.00 0.00 N ATOM 0 H LYS A 113 -2.621 3.752 -14.798 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.611 1.765 -14.960 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.309 4.716 -14.229 1.00 0.00 H new ATOM 0 HB3 LYS A 113 0.898 3.683 -14.971 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -1.726 4.630 -16.229 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -0.104 5.060 -16.734 1.00 0.00 H new ATOM 0 HD2 LYS A 113 0.220 2.434 -16.983 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.531 2.402 -17.023 1.00 0.00 H new ATOM 0 HE2 LYS A 113 0.375 3.352 -19.086 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.272 2.785 -19.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.372 5.032 -19.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -1.928 5.019 -18.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -0.339 5.510 -18.573 1.00 0.00 H new ATOM 1840 N ARG A 114 0.377 1.530 -12.696 1.00 0.00 N ATOM 1841 CA ARG A 114 0.902 1.278 -11.362 1.00 0.00 C ATOM 1842 C ARG A 114 1.533 2.552 -10.827 1.00 0.00 C ATOM 1843 O ARG A 114 2.417 3.128 -11.464 1.00 0.00 O ATOM 1844 CB ARG A 114 1.950 0.158 -11.428 1.00 0.00 C ATOM 1845 CG ARG A 114 2.953 0.467 -12.552 1.00 0.00 C ATOM 1846 CD ARG A 114 3.631 -0.814 -13.020 1.00 0.00 C ATOM 1847 NE ARG A 114 4.556 -1.340 -12.022 1.00 0.00 N ATOM 1848 CZ ARG A 114 5.255 -2.450 -12.237 1.00 0.00 C ATOM 1849 NH1 ARG A 114 5.117 -3.095 -13.362 1.00 0.00 N ATOM 1850 NH2 ARG A 114 6.095 -2.872 -11.337 1.00 0.00 N ATOM 0 H ARG A 114 0.779 0.936 -13.421 1.00 0.00 H new ATOM 0 HA ARG A 114 0.095 0.969 -10.697 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.470 0.074 -10.474 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.464 -0.800 -11.612 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.439 0.941 -13.388 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.702 1.174 -12.196 1.00 0.00 H new ATOM 0 HD2 ARG A 114 2.873 -1.565 -13.243 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.170 -0.621 -13.947 1.00 0.00 H new ATOM 0 HE ARG A 114 4.669 -0.844 -11.138 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.474 -2.747 -14.074 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.652 -3.947 -13.530 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.216 -2.351 -10.468 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.632 -3.724 -11.500 1.00 0.00 H new ATOM 1864 N TYR A 115 1.056 3.021 -9.693 1.00 0.00 N ATOM 1865 CA TYR A 115 1.561 4.265 -9.138 1.00 0.00 C ATOM 1866 C TYR A 115 2.565 3.990 -8.044 1.00 0.00 C ATOM 1867 O TYR A 115 2.233 3.368 -7.035 1.00 0.00 O ATOM 1868 CB TYR A 115 0.410 5.103 -8.582 1.00 0.00 C ATOM 1869 CG TYR A 115 0.948 6.416 -8.063 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.133 7.489 -8.939 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.264 6.558 -6.707 1.00 0.00 C ATOM 1872 CE1 TYR A 115 1.629 8.702 -8.463 1.00 0.00 C ATOM 1873 CE2 TYR A 115 1.761 7.776 -6.235 1.00 0.00 C ATOM 1874 CZ TYR A 115 1.943 8.846 -7.113 1.00 0.00 C ATOM 1875 OH TYR A 115 2.434 10.045 -6.646 1.00 0.00 O ATOM 0 H TYR A 115 0.328 2.568 -9.141 1.00 0.00 H new ATOM 0 HA TYR A 115 2.054 4.819 -9.937 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.331 5.284 -9.360 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -0.094 4.562 -7.781 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.892 7.379 -9.986 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.124 5.730 -6.028 1.00 0.00 H new ATOM 0 HE1 TYR A 115 1.770 9.531 -9.141 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.005 7.890 -5.189 1.00 0.00 H new ATOM 0 HH TYR A 115 2.280 10.744 -7.315 1.00 0.00 H new ATOM 1885 N TYR A 116 3.761 4.535 -8.191 1.00 0.00 N ATOM 1886 CA TYR A 116 4.780 4.394 -7.169 1.00 0.00 C ATOM 1887 C TYR A 116 4.888 5.656 -6.360 1.00 0.00 C ATOM 1888 O TYR A 116 5.532 6.623 -6.764 1.00 0.00 O ATOM 1889 CB TYR A 116 6.136 4.017 -7.782 1.00 0.00 C ATOM 1890 CG TYR A 116 6.081 2.575 -8.225 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.346 2.232 -9.356 1.00 0.00 C ATOM 1892 CD2 TYR A 116 6.754 1.581 -7.497 1.00 0.00 C ATOM 1893 CE1 TYR A 116 5.276 0.908 -9.766 1.00 0.00 C ATOM 1894 CE2 TYR A 116 6.686 0.245 -7.913 1.00 0.00 C ATOM 1895 CZ TYR A 116 5.944 -0.090 -9.050 1.00 0.00 C ATOM 1896 OH TYR A 116 5.862 -1.407 -9.462 1.00 0.00 O ATOM 0 H TYR A 116 4.048 5.077 -9.006 1.00 0.00 H new ATOM 0 HA TYR A 116 4.484 3.582 -6.505 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.361 4.665 -8.629 1.00 0.00 H new ATOM 0 HB3 TYR A 116 6.933 4.158 -7.052 1.00 0.00 H new ATOM 0 HD1 TYR A 116 4.829 2.998 -9.916 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.323 1.846 -6.618 1.00 0.00 H new ATOM 0 HE1 TYR A 116 4.702 0.647 -10.643 1.00 0.00 H new ATOM 0 HE2 TYR A 116 7.204 -0.523 -7.358 1.00 0.00 H new ATOM 0 HH TYR A 116 6.384 -1.973 -8.856 1.00 0.00 H new ATOM 1906 N LEU A 117 4.267 5.627 -5.202 1.00 0.00 N ATOM 1907 CA LEU A 117 4.310 6.731 -4.267 1.00 0.00 C ATOM 1908 C LEU A 117 5.734 6.943 -3.785 1.00 0.00 C ATOM 1909 O LEU A 117 6.214 8.075 -3.702 1.00 0.00 O ATOM 1910 CB LEU A 117 3.370 6.435 -3.095 1.00 0.00 C ATOM 1911 CG LEU A 117 3.406 7.555 -2.052 1.00 0.00 C ATOM 1912 CD1 LEU A 117 2.965 8.881 -2.672 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.470 7.185 -0.900 1.00 0.00 C ATOM 0 H LEU A 117 3.714 4.832 -4.880 1.00 0.00 H new ATOM 0 HA LEU A 117 3.980 7.647 -4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.352 6.313 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.654 5.492 -2.628 1.00 0.00 H new ATOM 0 HG LEU A 117 4.425 7.672 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.997 9.665 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.635 9.140 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.948 8.785 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.487 7.975 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.455 7.066 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.800 6.249 -0.449 1.00 0.00 H new ATOM 1925 N ILE A 118 6.415 5.847 -3.480 1.00 0.00 N ATOM 1926 CA ILE A 118 7.796 5.910 -3.028 1.00 0.00 C ATOM 1927 C ILE A 118 8.682 5.085 -3.969 1.00 0.00 C ATOM 1928 O ILE A 118 8.466 3.876 -4.135 1.00 0.00 O ATOM 1929 CB ILE A 118 7.894 5.360 -1.588 1.00 0.00 C ATOM 1930 CG1 ILE A 118 7.022 6.204 -0.644 1.00 0.00 C ATOM 1931 CG2 ILE A 118 9.348 5.410 -1.099 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.986 5.549 0.741 1.00 0.00 C ATOM 0 H ILE A 118 6.032 4.903 -3.538 1.00 0.00 H new ATOM 0 HA ILE A 118 8.136 6.945 -3.037 1.00 0.00 H new ATOM 0 HB ILE A 118 7.545 4.327 -1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.422 7.215 -0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.012 6.289 -1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.404 5.020 -0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.974 4.805 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.701 6.441 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.368 6.147 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.566 4.546 0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.998 5.487 1.141 1.00 0.00 H new ATOM 1944 N LYS A 119 9.696 5.722 -4.547 1.00 0.00 N ATOM 1945 CA LYS A 119 10.629 5.023 -5.429 1.00 0.00 C ATOM 1946 C LYS A 119 11.765 4.420 -4.613 1.00 0.00 C ATOM 1947 O LYS A 119 12.570 5.157 -4.027 1.00 0.00 O ATOM 1948 CB LYS A 119 11.230 5.974 -6.488 1.00 0.00 C ATOM 1949 CG LYS A 119 10.167 6.935 -7.038 1.00 0.00 C ATOM 1950 CD LYS A 119 9.050 6.154 -7.758 1.00 0.00 C ATOM 1951 CE LYS A 119 8.403 7.041 -8.844 1.00 0.00 C ATOM 1952 NZ LYS A 119 8.411 8.458 -8.406 1.00 0.00 N ATOM 0 H LYS A 119 9.893 6.715 -4.423 1.00 0.00 H new ATOM 0 HA LYS A 119 10.071 4.238 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.047 6.545 -6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.655 5.391 -7.305 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.742 7.520 -6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.629 7.640 -7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.460 5.251 -8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.295 5.836 -7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.947 6.938 -9.783 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.380 6.714 -9.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.645 8.974 -8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 8.269 8.504 -7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.325 8.891 -8.649 1.00 0.00 H new ATOM 1966 N PRO A 120 11.866 3.117 -4.566 1.00 0.00 N ATOM 1967 CA PRO A 120 12.970 2.468 -3.821 1.00 0.00 C ATOM 1968 C PRO A 120 14.313 2.675 -4.511 1.00 0.00 C ATOM 1969 O PRO A 120 14.362 2.960 -5.712 1.00 0.00 O ATOM 1970 CB PRO A 120 12.574 0.998 -3.762 1.00 0.00 C ATOM 1971 CG PRO A 120 11.770 0.770 -5.002 1.00 0.00 C ATOM 1972 CD PRO A 120 11.105 2.117 -5.356 1.00 0.00 C ATOM 0 HA PRO A 120 13.104 2.892 -2.826 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.452 0.352 -3.735 1.00 0.00 H new ATOM 0 HB3 PRO A 120 11.991 0.781 -2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 120 12.406 0.427 -5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.018 -0.001 -4.839 1.00 0.00 H new ATOM 0 HD2 PRO A 120 11.167 2.323 -6.425 1.00 0.00 H new ATOM 0 HD3 PRO A 120 10.048 2.121 -5.091 1.00 0.00 H new ATOM 1980 N LYS A 121 15.389 2.593 -3.743 1.00 0.00 N ATOM 1981 CA LYS A 121 16.747 2.810 -4.266 1.00 0.00 C ATOM 1982 C LYS A 121 17.107 1.783 -5.336 1.00 0.00 C ATOM 1983 O LYS A 121 18.137 1.107 -5.250 1.00 0.00 O ATOM 1984 CB LYS A 121 17.799 2.772 -3.137 1.00 0.00 C ATOM 1985 CG LYS A 121 17.352 1.848 -1.985 1.00 0.00 C ATOM 1986 CD LYS A 121 17.293 0.385 -2.434 1.00 0.00 C ATOM 1987 CE LYS A 121 16.980 -0.499 -1.224 1.00 0.00 C ATOM 1988 NZ LYS A 121 17.928 -0.188 -0.114 1.00 0.00 N ATOM 0 H LYS A 121 15.356 2.377 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 121 16.754 3.802 -4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 121 18.752 2.424 -3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.962 3.780 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 121 18.044 1.946 -1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.371 2.160 -1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 121 16.528 0.258 -3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 121 18.243 0.090 -2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 121 15.954 -0.333 -0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 121 17.060 -1.551 -1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 18.028 -1.021 0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 18.856 0.063 -0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 17.562 0.611 0.442 1.00 0.00 H new ATOM 2002 N LEU A 122 16.251 1.642 -6.321 1.00 0.00 N ATOM 2003 CA LEU A 122 16.478 0.670 -7.369 1.00 0.00 C ATOM 2004 C LEU A 122 17.737 1.040 -8.122 1.00 0.00 C ATOM 2005 O LEU A 122 18.530 0.178 -8.502 1.00 0.00 O ATOM 2006 CB LEU A 122 15.295 0.636 -8.337 1.00 0.00 C ATOM 2007 CG LEU A 122 14.033 0.177 -7.598 1.00 0.00 C ATOM 2008 CD1 LEU A 122 12.831 0.197 -8.544 1.00 0.00 C ATOM 2009 CD2 LEU A 122 14.223 -1.231 -7.020 1.00 0.00 C ATOM 0 H LEU A 122 15.393 2.185 -6.420 1.00 0.00 H new ATOM 0 HA LEU A 122 16.587 -0.317 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 122 15.136 1.625 -8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 122 15.509 -0.040 -9.164 1.00 0.00 H new ATOM 0 HG LEU A 122 13.849 0.866 -6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.940 -0.131 -8.008 1.00 0.00 H new ATOM 0 HD12 LEU A 122 12.678 1.210 -8.916 1.00 0.00 H new ATOM 0 HD13 LEU A 122 13.017 -0.474 -9.383 1.00 0.00 H new ATOM 0 HD21 LEU A 122 13.315 -1.536 -6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 122 14.431 -1.931 -7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 122 15.058 -1.227 -6.320 1.00 0.00 H new ATOM 2021 N HIS A 123 17.903 2.326 -8.355 1.00 0.00 N ATOM 2022 CA HIS A 123 19.054 2.846 -9.067 1.00 0.00 C ATOM 2023 C HIS A 123 19.516 4.142 -8.427 1.00 0.00 C ATOM 2024 O HIS A 123 18.708 5.041 -8.196 1.00 0.00 O ATOM 2025 CB HIS A 123 18.688 3.140 -10.529 1.00 0.00 C ATOM 2026 CG HIS A 123 18.809 1.904 -11.377 1.00 0.00 C ATOM 2027 ND1 HIS A 123 18.840 0.619 -10.844 1.00 0.00 N ATOM 2028 CD2 HIS A 123 18.898 1.746 -12.731 1.00 0.00 C ATOM 2029 CE1 HIS A 123 18.943 -0.240 -11.878 1.00 0.00 C ATOM 2030 NE2 HIS A 123 18.982 0.398 -13.052 1.00 0.00 N ATOM 0 H HIS A 123 17.242 3.043 -8.055 1.00 0.00 H new ATOM 0 HA HIS A 123 19.846 2.098 -9.024 1.00 0.00 H new ATOM 0 HB2 HIS A 123 17.669 3.523 -10.582 1.00 0.00 H new ATOM 0 HB3 HIS A 123 19.342 3.919 -10.921 1.00 0.00 H new ATOM 0 HD1 HIS A 123 18.793 0.373 -9.855 1.00 0.00 H new ATOM 0 HD2 HIS A 123 18.902 2.553 -13.448 1.00 0.00 H new ATOM 0 HE1 HIS A 123 18.988 -1.314 -11.771 1.00 0.00 H new ATOM 2039 N PRO A 124 20.794 4.289 -8.217 1.00 0.00 N ATOM 2040 CA PRO A 124 21.369 5.579 -7.737 1.00 0.00 C ATOM 2041 C PRO A 124 21.346 6.612 -8.860 1.00 0.00 C ATOM 2042 O PRO A 124 20.731 6.381 -9.908 1.00 0.00 O ATOM 2043 CB PRO A 124 22.806 5.214 -7.355 1.00 0.00 C ATOM 2044 CG PRO A 124 22.735 3.771 -6.979 1.00 0.00 C ATOM 2045 CD PRO A 124 21.684 3.148 -7.897 1.00 0.00 C ATOM 0 HA PRO A 124 20.816 6.017 -6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 124 23.491 5.375 -8.187 1.00 0.00 H new ATOM 0 HB3 PRO A 124 23.164 5.824 -6.525 1.00 0.00 H new ATOM 0 HG2 PRO A 124 23.703 3.286 -7.108 1.00 0.00 H new ATOM 0 HG3 PRO A 124 22.457 3.654 -5.932 1.00 0.00 H new ATOM 0 HD2 PRO A 124 22.134 2.724 -8.795 1.00 0.00 H new ATOM 0 HD3 PRO A 124 21.143 2.342 -7.401 1.00 0.00 H new ATOM 2053 N VAL A 125 22.043 7.719 -8.672 1.00 0.00 N ATOM 2054 CA VAL A 125 22.129 8.729 -9.718 1.00 0.00 C ATOM 2055 C VAL A 125 22.770 8.083 -10.940 1.00 0.00 C ATOM 2056 O VAL A 125 22.221 8.116 -12.039 1.00 0.00 O ATOM 2057 CB VAL A 125 22.973 9.924 -9.236 1.00 0.00 C ATOM 2058 CG1 VAL A 125 23.134 10.948 -10.363 1.00 0.00 C ATOM 2059 CG2 VAL A 125 22.289 10.589 -8.038 1.00 0.00 C ATOM 0 H VAL A 125 22.553 7.942 -7.817 1.00 0.00 H new ATOM 0 HA VAL A 125 21.136 9.102 -9.968 1.00 0.00 H new ATOM 0 HB VAL A 125 23.958 9.562 -8.941 1.00 0.00 H new ATOM 0 HG11 VAL A 125 23.732 11.787 -10.009 1.00 0.00 H new ATOM 0 HG12 VAL A 125 23.632 10.480 -11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 125 22.152 11.307 -10.671 1.00 0.00 H new ATOM 0 HG21 VAL A 125 22.889 11.434 -7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 125 21.300 10.941 -8.333 1.00 0.00 H new ATOM 0 HG23 VAL A 125 22.191 9.866 -7.228 1.00 0.00 H new ATOM 2069 N SER A 126 23.828 7.354 -10.687 1.00 0.00 N ATOM 2070 CA SER A 126 24.457 6.520 -11.686 1.00 0.00 C ATOM 2071 C SER A 126 23.988 5.087 -11.489 1.00 0.00 C ATOM 2072 O SER A 126 23.545 4.723 -10.397 1.00 0.00 O ATOM 2073 CB SER A 126 25.974 6.595 -11.534 1.00 0.00 C ATOM 2074 OG SER A 126 26.369 7.962 -11.405 1.00 0.00 O ATOM 0 H SER A 126 24.283 7.321 -9.774 1.00 0.00 H new ATOM 0 HA SER A 126 24.186 6.863 -12.684 1.00 0.00 H new ATOM 0 HB2 SER A 126 26.292 6.029 -10.659 1.00 0.00 H new ATOM 0 HB3 SER A 126 26.460 6.144 -12.399 1.00 0.00 H new ATOM 0 HG SER A 126 27.343 8.013 -11.305 1.00 0.00 H new ATOM 2080 N ASN A 127 24.072 4.276 -12.523 1.00 0.00 N ATOM 2081 CA ASN A 127 23.645 2.886 -12.425 1.00 0.00 C ATOM 2082 C ASN A 127 24.103 2.096 -13.628 1.00 0.00 C ATOM 2083 O ASN A 127 24.322 2.694 -14.649 1.00 0.00 O ATOM 2084 CB ASN A 127 22.118 2.781 -12.277 1.00 0.00 C ATOM 2085 CG ASN A 127 21.414 3.675 -13.299 1.00 0.00 C ATOM 2086 OD1 ASN A 127 21.048 3.214 -14.393 1.00 0.00 O ATOM 2087 ND2 ASN A 127 21.201 4.924 -13.013 1.00 0.00 N ATOM 2088 OXT ASN A 127 24.212 0.904 -13.518 1.00 0.00 O ATOM 0 H ASN A 127 24.429 4.548 -13.439 1.00 0.00 H new ATOM 0 HA ASN A 127 24.107 2.464 -11.532 1.00 0.00 H new ATOM 0 HB2 ASN A 127 21.804 1.746 -12.414 1.00 0.00 H new ATOM 0 HB3 ASN A 127 21.824 3.072 -11.268 1.00 0.00 H new ATOM 0 HD21 ASN A 127 20.732 5.529 -13.687 1.00 0.00 H new ATOM 0 HD22 ASN A 127 21.503 5.300 -12.114 1.00 0.00 H new TER 2095 ASN A 127