USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 916 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 11 THR OG1 : rot 81:sc= 0.456 USER MOD Set 1.2: A 34 THR OG1 : rot -93:sc= 0.313 USER MOD Set 1.3: A 76 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00146) USER MOD Set 1.4: A 78 SER OG : rot -130:sc= 0 USER MOD Set 2.1: A 70 ASN : amide:sc= 0.83 K(o=1.6,f=-3.8!) USER MOD Set 2.2: A 72 THR OG1 : rot -75:sc= 0.747 USER MOD Set 3.1: A 38 SER OG : rot -41:sc= 0.17 USER MOD Set 3.2: A 40 ASN :FLIP amide:sc= 0.223 F(o=-1.9,f=0.39) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0125 K(o=-0.012,f=-1) USER MOD Single : A 13 GLN : amide:sc= -0.702 K(o=-0.7,f=-4!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.983 USER MOD Single : A 16 LYS NZ :NH3+ -111:sc= 0.559 (180deg=-0.421) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.345 USER MOD Single : A 22 THR OG1 : rot -81:sc= 0.209 USER MOD Single : A 28 THR OG1 : rot -16:sc= 0.64 USER MOD Single : A 33 HIS : no HD1:sc= 0.0291 K(o=0.029,f=-0.51) USER MOD Single : A 41 MET CE :methyl 167:sc= -0.178 (180deg=-0.541) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= -0.706 (180deg=-1.48!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 88:sc= -0.979 USER MOD Single : A 58 THR OG1 : rot 105:sc= 1.09 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00508) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 7:sc= 0.501 USER MOD Single : A 88 ASN : amide:sc= 0.00382 K(o=0.0038,f=-2) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot -23:sc= 0.0761 USER MOD Single : A 106 CYS SG : rot 1:sc= -3.24! USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.446 -24.466 14.861 1.00 0.00 N ATOM 2 CA MET A 1 14.219 -23.675 14.657 1.00 0.00 C ATOM 3 C MET A 1 14.575 -22.222 14.317 1.00 0.00 C ATOM 4 O MET A 1 15.462 -21.620 14.936 1.00 0.00 O ATOM 5 CB MET A 1 13.292 -23.742 15.895 1.00 0.00 C ATOM 6 CG MET A 1 12.719 -25.134 16.175 1.00 0.00 C ATOM 7 SD MET A 1 11.801 -25.795 14.769 1.00 0.00 S ATOM 8 CE MET A 1 11.320 -27.409 15.379 1.00 0.00 C ATOM 0 H1 MET A 1 15.192 -25.448 15.091 1.00 0.00 H new ATOM 0 H2 MET A 1 16.018 -24.450 13.992 1.00 0.00 H new ATOM 0 H3 MET A 1 15.996 -24.058 15.644 1.00 0.00 H new ATOM 0 HA MET A 1 13.673 -24.105 13.817 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.849 -23.408 16.770 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.467 -23.043 15.756 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.532 -25.815 16.427 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.063 -25.086 17.044 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.745 -27.931 14.614 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.212 -27.987 15.621 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.710 -27.292 16.275 1.00 0.00 H new ATOM 20 N ASN A 2 13.858 -21.692 13.322 1.00 0.00 N ATOM 21 CA ASN A 2 14.038 -20.333 12.777 1.00 0.00 C ATOM 22 C ASN A 2 12.753 -19.946 12.029 1.00 0.00 C ATOM 23 O ASN A 2 11.997 -20.833 11.598 1.00 0.00 O ATOM 24 CB ASN A 2 15.273 -20.294 11.817 1.00 0.00 C ATOM 25 CG ASN A 2 15.574 -18.914 11.214 1.00 0.00 C ATOM 26 OD1 ASN A 2 15.324 -17.875 11.833 1.00 0.00 O ATOM 27 ND2 ASN A 2 16.111 -18.893 10.001 1.00 0.00 N ATOM 0 H ASN A 2 13.112 -22.208 12.856 1.00 0.00 H new ATOM 0 HA ASN A 2 14.224 -19.623 13.583 1.00 0.00 H new ATOM 0 HB2 ASN A 2 16.152 -20.636 12.364 1.00 0.00 H new ATOM 0 HB3 ASN A 2 15.107 -21.002 11.005 1.00 0.00 H new ATOM 0 HD21 ASN A 2 16.329 -18.002 9.555 1.00 0.00 H new ATOM 0 HD22 ASN A 2 16.306 -19.768 9.514 1.00 0.00 H new ATOM 34 N ILE A 3 12.494 -18.631 11.887 1.00 0.00 N ATOM 35 CA ILE A 3 11.338 -18.125 11.137 1.00 0.00 C ATOM 36 C ILE A 3 11.574 -18.411 9.639 1.00 0.00 C ATOM 37 O ILE A 3 12.310 -17.686 8.958 1.00 0.00 O ATOM 38 CB ILE A 3 11.053 -16.579 11.386 1.00 0.00 C ATOM 39 CG1 ILE A 3 10.695 -16.275 12.890 1.00 0.00 C ATOM 40 CG2 ILE A 3 9.924 -16.059 10.451 1.00 0.00 C ATOM 41 CD1 ILE A 3 11.838 -16.386 13.889 1.00 0.00 C ATOM 0 H ILE A 3 13.079 -17.898 12.288 1.00 0.00 H new ATOM 0 HA ILE A 3 10.446 -18.642 11.492 1.00 0.00 H new ATOM 0 HB ILE A 3 11.976 -16.049 11.151 1.00 0.00 H new ATOM 0 HG12 ILE A 3 10.287 -15.266 12.948 1.00 0.00 H new ATOM 0 HG13 ILE A 3 9.903 -16.958 13.198 1.00 0.00 H new ATOM 0 HG21 ILE A 3 9.751 -15.000 10.643 1.00 0.00 H new ATOM 0 HG22 ILE A 3 10.221 -16.195 9.411 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.007 -16.617 10.642 1.00 0.00 H new ATOM 0 HD11 ILE A 3 11.471 -16.155 14.889 1.00 0.00 H new ATOM 0 HD12 ILE A 3 12.237 -17.400 13.874 1.00 0.00 H new ATOM 0 HD13 ILE A 3 12.626 -15.683 13.620 1.00 0.00 H new ATOM 53 N GLY A 4 10.991 -19.527 9.167 1.00 0.00 N ATOM 54 CA GLY A 4 11.129 -19.972 7.783 1.00 0.00 C ATOM 55 C GLY A 4 10.113 -19.321 6.867 1.00 0.00 C ATOM 56 O GLY A 4 9.334 -20.007 6.198 1.00 0.00 O ATOM 0 H GLY A 4 10.412 -20.141 9.740 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.134 -19.743 7.428 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.014 -21.055 7.738 1.00 0.00 H new ATOM 60 N ARG A 5 10.106 -17.981 6.855 1.00 0.00 N ATOM 61 CA ARG A 5 9.190 -17.182 6.033 1.00 0.00 C ATOM 62 C ARG A 5 9.994 -16.131 5.262 1.00 0.00 C ATOM 63 O ARG A 5 10.022 -16.147 4.033 1.00 0.00 O ATOM 64 CB ARG A 5 8.110 -16.489 6.920 1.00 0.00 C ATOM 65 CG ARG A 5 7.175 -17.454 7.667 1.00 0.00 C ATOM 66 CD ARG A 5 6.321 -18.319 6.723 1.00 0.00 C ATOM 67 NE ARG A 5 5.477 -19.268 7.469 1.00 0.00 N ATOM 68 CZ ARG A 5 4.436 -19.942 6.971 1.00 0.00 C ATOM 69 NH1 ARG A 5 4.041 -19.770 5.711 1.00 0.00 N ATOM 70 NH2 ARG A 5 3.783 -20.787 7.746 1.00 0.00 N ATOM 0 H ARG A 5 10.741 -17.418 7.420 1.00 0.00 H new ATOM 0 HA ARG A 5 8.677 -17.840 5.331 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.612 -15.854 7.650 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.507 -15.835 6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.771 -18.105 8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.517 -16.880 8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 5 5.690 -17.675 6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.973 -18.868 6.043 1.00 0.00 H new ATOM 0 HE ARG A 5 5.707 -19.424 8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.536 -19.114 5.107 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.244 -20.294 5.350 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.074 -20.920 8.714 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.987 -21.307 7.377 1.00 0.00 H new ATOM 84 N LEU A 6 10.666 -15.239 6.010 1.00 0.00 N ATOM 85 CA LEU A 6 11.296 -14.029 5.457 1.00 0.00 C ATOM 86 C LEU A 6 12.513 -14.382 4.574 1.00 0.00 C ATOM 87 O LEU A 6 13.641 -14.511 5.056 1.00 0.00 O ATOM 88 CB LEU A 6 11.661 -13.025 6.591 1.00 0.00 C ATOM 89 CG LEU A 6 10.469 -12.244 7.254 1.00 0.00 C ATOM 90 CD1 LEU A 6 9.494 -13.156 8.025 1.00 0.00 C ATOM 91 CD2 LEU A 6 10.984 -11.101 8.152 1.00 0.00 C ATOM 0 H LEU A 6 10.787 -15.338 7.018 1.00 0.00 H new ATOM 0 HA LEU A 6 10.572 -13.534 4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.186 -13.572 7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 6 12.363 -12.295 6.187 1.00 0.00 H new ATOM 0 HG LEU A 6 9.897 -11.812 6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.696 -12.552 8.457 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.065 -13.890 7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.031 -13.672 8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.137 -10.578 8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.612 -11.513 8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.567 -10.402 7.553 1.00 0.00 H new ATOM 103 N ARG A 7 12.230 -14.561 3.273 1.00 0.00 N ATOM 104 CA ARG A 7 13.192 -15.047 2.256 1.00 0.00 C ATOM 105 C ARG A 7 13.360 -14.027 1.107 1.00 0.00 C ATOM 106 O ARG A 7 14.279 -14.150 0.293 1.00 0.00 O ATOM 107 CB ARG A 7 12.688 -16.412 1.702 1.00 0.00 C ATOM 108 CG ARG A 7 11.248 -16.386 1.136 1.00 0.00 C ATOM 109 CD ARG A 7 10.743 -17.772 0.697 1.00 0.00 C ATOM 110 NE ARG A 7 11.514 -18.307 -0.440 1.00 0.00 N ATOM 111 CZ ARG A 7 11.455 -19.561 -0.902 1.00 0.00 C ATOM 112 NH1 ARG A 7 10.694 -20.466 -0.320 1.00 0.00 N ATOM 113 NH2 ARG A 7 12.173 -19.906 -1.951 1.00 0.00 N ATOM 0 H ARG A 7 11.306 -14.369 2.885 1.00 0.00 H new ATOM 0 HA ARG A 7 14.169 -15.173 2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.367 -16.743 0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.737 -17.153 2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.574 -15.984 1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.212 -15.707 0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.808 -18.464 1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.691 -17.704 0.421 1.00 0.00 H new ATOM 0 HE ARG A 7 12.148 -17.665 -0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.137 -20.215 0.497 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.662 -21.417 -0.687 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.771 -19.218 -2.408 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.131 -20.861 -2.306 1.00 0.00 H new ATOM 127 N ASP A 8 12.453 -13.049 1.042 1.00 0.00 N ATOM 128 CA ASP A 8 12.420 -11.980 0.028 1.00 0.00 C ATOM 129 C ASP A 8 12.625 -10.613 0.696 1.00 0.00 C ATOM 130 O ASP A 8 12.955 -10.537 1.882 1.00 0.00 O ATOM 131 CB ASP A 8 11.054 -12.011 -0.726 1.00 0.00 C ATOM 132 CG ASP A 8 10.953 -13.176 -1.716 1.00 0.00 C ATOM 133 OD1 ASP A 8 11.440 -13.040 -2.858 1.00 0.00 O ATOM 134 OD2 ASP A 8 10.423 -14.239 -1.351 1.00 0.00 O ATOM 0 H ASP A 8 11.692 -12.973 1.716 1.00 0.00 H new ATOM 0 HA ASP A 8 13.225 -12.143 -0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.244 -12.085 -0.000 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.917 -11.071 -1.261 1.00 0.00 H new ATOM 139 N ARG A 9 12.422 -9.546 -0.097 1.00 0.00 N ATOM 140 CA ARG A 9 12.482 -8.150 0.343 1.00 0.00 C ATOM 141 C ARG A 9 11.313 -7.363 -0.258 1.00 0.00 C ATOM 142 O ARG A 9 10.941 -7.581 -1.417 1.00 0.00 O ATOM 143 CB ARG A 9 13.815 -7.473 -0.070 1.00 0.00 C ATOM 144 CG ARG A 9 15.051 -7.914 0.733 1.00 0.00 C ATOM 145 CD ARG A 9 16.293 -7.080 0.398 1.00 0.00 C ATOM 146 NE ARG A 9 16.662 -7.187 -1.031 1.00 0.00 N ATOM 147 CZ ARG A 9 16.858 -6.157 -1.874 1.00 0.00 C ATOM 148 NH1 ARG A 9 16.742 -4.900 -1.460 1.00 0.00 N ATOM 149 NH2 ARG A 9 17.187 -6.397 -3.136 1.00 0.00 N ATOM 0 H ARG A 9 12.206 -9.639 -1.089 1.00 0.00 H new ATOM 0 HA ARG A 9 12.419 -8.147 1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.996 -7.677 -1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.702 -6.394 0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.837 -7.831 1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.257 -8.965 0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.107 -6.035 0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.129 -7.411 1.014 1.00 0.00 H new ATOM 0 HE ARG A 9 16.778 -8.126 -1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.501 -4.703 -0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.894 -4.132 -2.113 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.290 -7.358 -3.462 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.337 -5.621 -3.780 1.00 0.00 H new ATOM 163 N ILE A 10 10.764 -6.432 0.540 1.00 0.00 N ATOM 164 CA ILE A 10 9.645 -5.545 0.143 1.00 0.00 C ATOM 165 C ILE A 10 9.947 -4.105 0.616 1.00 0.00 C ATOM 166 O ILE A 10 10.521 -3.909 1.700 1.00 0.00 O ATOM 167 CB ILE A 10 8.230 -6.028 0.694 1.00 0.00 C ATOM 168 CG1 ILE A 10 7.997 -5.745 2.227 1.00 0.00 C ATOM 169 CG2 ILE A 10 7.947 -7.515 0.355 1.00 0.00 C ATOM 170 CD1 ILE A 10 8.991 -6.339 3.200 1.00 0.00 C ATOM 0 H ILE A 10 11.086 -6.268 1.494 1.00 0.00 H new ATOM 0 HA ILE A 10 9.571 -5.581 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 10 7.506 -5.410 0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.986 -4.665 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.005 -6.112 2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.972 -7.799 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.953 -7.649 -0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.717 -8.143 0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.711 -6.066 4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.992 -7.425 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.987 -5.955 2.982 1.00 0.00 H new ATOM 182 N THR A 11 9.554 -3.112 -0.198 1.00 0.00 N ATOM 183 CA THR A 11 9.809 -1.686 0.060 1.00 0.00 C ATOM 184 C THR A 11 8.521 -1.040 0.602 1.00 0.00 C ATOM 185 O THR A 11 7.487 -1.046 -0.079 1.00 0.00 O ATOM 186 CB THR A 11 10.275 -0.947 -1.249 1.00 0.00 C ATOM 187 OG1 THR A 11 11.253 -1.749 -1.935 1.00 0.00 O ATOM 188 CG2 THR A 11 10.883 0.432 -0.940 1.00 0.00 C ATOM 0 H THR A 11 9.044 -3.280 -1.065 1.00 0.00 H new ATOM 0 HA THR A 11 10.609 -1.596 0.794 1.00 0.00 H new ATOM 0 HB THR A 11 9.396 -0.800 -1.876 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.799 -2.448 -2.450 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.192 0.910 -1.870 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.139 1.054 -0.442 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.749 0.310 -0.289 1.00 0.00 H new ATOM 196 N ILE A 12 8.604 -0.515 1.830 1.00 0.00 N ATOM 197 CA ILE A 12 7.463 0.095 2.532 1.00 0.00 C ATOM 198 C ILE A 12 7.266 1.537 2.041 1.00 0.00 C ATOM 199 O ILE A 12 7.893 2.478 2.543 1.00 0.00 O ATOM 200 CB ILE A 12 7.661 0.056 4.099 1.00 0.00 C ATOM 201 CG1 ILE A 12 8.054 -1.384 4.570 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.401 0.578 4.843 1.00 0.00 C ATOM 203 CD1 ILE A 12 7.119 -2.500 4.127 1.00 0.00 C ATOM 0 H ILE A 12 9.469 -0.500 2.370 1.00 0.00 H new ATOM 0 HA ILE A 12 6.568 -0.484 2.306 1.00 0.00 H new ATOM 0 HB ILE A 12 8.482 0.726 4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.056 -1.606 4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 12 8.106 -1.389 5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.571 0.538 5.919 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.203 1.608 4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.544 -0.045 4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.485 -3.454 4.508 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.119 -2.313 4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.083 -2.534 3.038 1.00 0.00 H new ATOM 215 N GLN A 13 6.414 1.691 1.020 1.00 0.00 N ATOM 216 CA GLN A 13 6.144 2.984 0.389 1.00 0.00 C ATOM 217 C GLN A 13 5.073 3.741 1.197 1.00 0.00 C ATOM 218 O GLN A 13 3.878 3.572 1.003 1.00 0.00 O ATOM 219 CB GLN A 13 5.720 2.780 -1.087 1.00 0.00 C ATOM 220 CG GLN A 13 5.540 4.072 -1.889 1.00 0.00 C ATOM 221 CD GLN A 13 4.992 3.819 -3.292 1.00 0.00 C ATOM 222 OE1 GLN A 13 3.786 3.798 -3.495 1.00 0.00 O ATOM 223 NE2 GLN A 13 5.866 3.618 -4.262 1.00 0.00 N ATOM 0 H GLN A 13 5.892 0.918 0.608 1.00 0.00 H new ATOM 0 HA GLN A 13 7.051 3.589 0.386 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.469 2.163 -1.583 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.783 2.223 -1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.863 4.737 -1.353 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.499 4.586 -1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.866 3.642 -4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.541 3.439 -5.212 1.00 0.00 H new ATOM 232 N THR A 14 5.557 4.579 2.104 1.00 0.00 N ATOM 233 CA THR A 14 4.717 5.350 3.029 1.00 0.00 C ATOM 234 C THR A 14 4.141 6.590 2.320 1.00 0.00 C ATOM 235 O THR A 14 4.728 7.089 1.354 1.00 0.00 O ATOM 236 CB THR A 14 5.538 5.751 4.295 1.00 0.00 C ATOM 237 OG1 THR A 14 6.789 6.323 3.901 1.00 0.00 O ATOM 238 CG2 THR A 14 5.802 4.538 5.214 1.00 0.00 C ATOM 0 H THR A 14 6.555 4.749 2.225 1.00 0.00 H new ATOM 0 HA THR A 14 3.881 4.730 3.352 1.00 0.00 H new ATOM 0 HB THR A 14 4.949 6.480 4.852 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.300 6.574 4.699 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.376 4.858 6.084 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.852 4.116 5.542 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.365 3.782 4.666 1.00 0.00 H new ATOM 246 N LEU A 15 2.990 7.080 2.801 1.00 0.00 N ATOM 247 CA LEU A 15 2.253 8.179 2.160 1.00 0.00 C ATOM 248 C LEU A 15 2.836 9.526 2.600 1.00 0.00 C ATOM 249 O LEU A 15 2.704 9.925 3.766 1.00 0.00 O ATOM 250 CB LEU A 15 0.747 8.094 2.539 1.00 0.00 C ATOM 251 CG LEU A 15 -0.177 9.209 1.959 1.00 0.00 C ATOM 252 CD1 LEU A 15 -0.218 9.179 0.421 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.596 9.125 2.560 1.00 0.00 C ATOM 0 H LEU A 15 2.543 6.725 3.646 1.00 0.00 H new ATOM 0 HA LEU A 15 2.350 8.093 1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.365 7.128 2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.666 8.114 3.626 1.00 0.00 H new ATOM 0 HG LEU A 15 0.253 10.168 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.873 9.972 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.787 9.330 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.597 8.214 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.218 9.914 2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.033 8.154 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.541 9.247 3.642 1.00 0.00 H new ATOM 265 N LYS A 16 3.523 10.201 1.675 1.00 0.00 N ATOM 266 CA LYS A 16 4.075 11.533 1.898 1.00 0.00 C ATOM 267 C LYS A 16 3.003 12.607 1.624 1.00 0.00 C ATOM 268 O LYS A 16 2.797 13.005 0.482 1.00 0.00 O ATOM 269 CB LYS A 16 5.307 11.736 0.974 1.00 0.00 C ATOM 270 CG LYS A 16 6.152 12.969 1.314 1.00 0.00 C ATOM 271 CD LYS A 16 7.471 13.040 0.516 1.00 0.00 C ATOM 272 CE LYS A 16 8.421 14.103 1.079 1.00 0.00 C ATOM 273 NZ LYS A 16 8.839 13.786 2.471 1.00 0.00 N ATOM 0 H LYS A 16 3.712 9.832 0.743 1.00 0.00 H new ATOM 0 HA LYS A 16 4.390 11.629 2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.939 10.850 1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.964 11.818 -0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.567 13.868 1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.379 12.963 2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.961 12.067 0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.252 13.264 -0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.303 14.177 0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.931 15.076 1.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.415 14.474 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.519 12.828 2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.875 13.834 2.542 1.00 0.00 H new ATOM 287 N GLN A 17 2.298 13.045 2.670 1.00 0.00 N ATOM 288 CA GLN A 17 1.326 14.143 2.567 1.00 0.00 C ATOM 289 C GLN A 17 2.077 15.457 2.777 1.00 0.00 C ATOM 290 O GLN A 17 2.549 15.739 3.887 1.00 0.00 O ATOM 291 CB GLN A 17 0.174 13.977 3.596 1.00 0.00 C ATOM 292 CG GLN A 17 -0.673 12.716 3.367 1.00 0.00 C ATOM 293 CD GLN A 17 -1.961 12.676 4.191 1.00 0.00 C ATOM 294 OE1 GLN A 17 -3.030 13.246 3.651 1.00 0.00 O flip ATOM 295 NE2 GLN A 17 -2.001 12.146 5.301 1.00 0.00 N flip ATOM 0 H GLN A 17 2.382 12.653 3.608 1.00 0.00 H new ATOM 0 HA GLN A 17 0.860 14.136 1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.596 13.944 4.600 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.473 14.853 3.550 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.928 12.649 2.309 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.073 11.838 3.607 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.163 11.715 5.691 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.872 12.137 5.831 1.00 0.00 H new ATOM 304 N THR A 18 2.234 16.227 1.692 1.00 0.00 N ATOM 305 CA THR A 18 2.999 17.480 1.684 1.00 0.00 C ATOM 306 C THR A 18 2.152 18.582 1.043 1.00 0.00 C ATOM 307 O THR A 18 1.597 18.384 -0.038 1.00 0.00 O ATOM 308 CB THR A 18 4.333 17.316 0.891 1.00 0.00 C ATOM 309 OG1 THR A 18 5.045 16.170 1.381 1.00 0.00 O ATOM 310 CG2 THR A 18 5.233 18.563 1.002 1.00 0.00 C ATOM 0 H THR A 18 1.829 15.994 0.785 1.00 0.00 H new ATOM 0 HA THR A 18 3.244 17.746 2.712 1.00 0.00 H new ATOM 0 HB THR A 18 4.076 17.184 -0.160 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.882 16.067 0.881 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.149 18.402 0.434 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.706 19.429 0.602 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.481 18.741 2.048 1.00 0.00 H new ATOM 318 N ARG A 19 2.039 19.723 1.726 1.00 0.00 N ATOM 319 CA ARG A 19 1.341 20.896 1.198 1.00 0.00 C ATOM 320 C ARG A 19 2.193 21.570 0.096 1.00 0.00 C ATOM 321 O ARG A 19 3.425 21.543 0.148 1.00 0.00 O ATOM 322 CB ARG A 19 1.021 21.872 2.356 1.00 0.00 C ATOM 323 CG ARG A 19 0.178 23.103 1.942 1.00 0.00 C ATOM 324 CD ARG A 19 -0.145 24.046 3.114 1.00 0.00 C ATOM 325 NE ARG A 19 1.083 24.537 3.776 1.00 0.00 N ATOM 326 CZ ARG A 19 1.287 25.776 4.253 1.00 0.00 C ATOM 327 NH1 ARG A 19 0.356 26.719 4.140 1.00 0.00 N ATOM 328 NH2 ARG A 19 2.441 26.065 4.844 1.00 0.00 N ATOM 0 H ARG A 19 2.428 19.859 2.659 1.00 0.00 H new ATOM 0 HA ARG A 19 0.399 20.592 0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.488 21.328 3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.958 22.219 2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.715 23.660 1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.755 22.761 1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.726 24.893 2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.766 23.523 3.841 1.00 0.00 H new ATOM 0 HE ARG A 19 1.848 23.871 3.880 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.532 26.507 3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.530 27.654 4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.162 25.349 4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.606 27.003 5.210 1.00 0.00 H new ATOM 342 N ASP A 20 1.515 22.177 -0.884 1.00 0.00 N ATOM 343 CA ASP A 20 2.160 22.797 -2.056 1.00 0.00 C ATOM 344 C ASP A 20 2.212 24.322 -1.849 1.00 0.00 C ATOM 345 O ASP A 20 1.592 24.833 -0.911 1.00 0.00 O ATOM 346 CB ASP A 20 1.367 22.429 -3.343 1.00 0.00 C ATOM 347 CG ASP A 20 2.099 22.817 -4.645 1.00 0.00 C ATOM 348 OD1 ASP A 20 2.987 22.061 -5.090 1.00 0.00 O ATOM 349 OD2 ASP A 20 1.799 23.882 -5.217 1.00 0.00 O ATOM 0 H ASP A 20 0.498 22.255 -0.890 1.00 0.00 H new ATOM 0 HA ASP A 20 3.178 22.425 -2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.175 21.356 -3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.397 22.926 -3.318 1.00 0.00 H new ATOM 354 N ILE A 21 2.959 25.050 -2.704 1.00 0.00 N ATOM 355 CA ILE A 21 2.966 26.531 -2.719 1.00 0.00 C ATOM 356 C ILE A 21 1.575 27.140 -3.054 1.00 0.00 C ATOM 357 O ILE A 21 1.329 28.322 -2.777 1.00 0.00 O ATOM 358 CB ILE A 21 4.077 27.054 -3.713 1.00 0.00 C ATOM 359 CG1 ILE A 21 4.289 28.601 -3.600 1.00 0.00 C ATOM 360 CG2 ILE A 21 3.764 26.640 -5.170 1.00 0.00 C ATOM 361 CD1 ILE A 21 5.439 29.159 -4.436 1.00 0.00 C ATOM 0 H ILE A 21 3.573 24.631 -3.402 1.00 0.00 H new ATOM 0 HA ILE A 21 3.203 26.866 -1.709 1.00 0.00 H new ATOM 0 HB ILE A 21 5.014 26.580 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.368 29.101 -3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.465 28.853 -2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.546 27.014 -5.831 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.721 25.553 -5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.804 27.061 -5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.505 30.237 -4.290 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.374 28.693 -4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.260 28.945 -5.490 1.00 0.00 H new ATOM 373 N THR A 22 0.640 26.319 -3.583 1.00 0.00 N ATOM 374 CA THR A 22 -0.736 26.751 -3.897 1.00 0.00 C ATOM 375 C THR A 22 -1.654 26.476 -2.673 1.00 0.00 C ATOM 376 O THR A 22 -2.803 26.916 -2.612 1.00 0.00 O ATOM 377 CB THR A 22 -1.262 25.963 -5.135 1.00 0.00 C ATOM 378 OG1 THR A 22 -1.179 24.549 -4.878 1.00 0.00 O ATOM 379 CG2 THR A 22 -0.464 26.291 -6.410 1.00 0.00 C ATOM 0 H THR A 22 0.820 25.340 -3.803 1.00 0.00 H new ATOM 0 HA THR A 22 -0.741 27.817 -4.122 1.00 0.00 H new ATOM 0 HB THR A 22 -2.297 26.262 -5.299 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.265 24.239 -5.047 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.865 25.720 -7.247 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.545 27.356 -6.626 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.584 26.030 -6.261 1.00 0.00 H new ATOM 387 N GLY A 23 -1.089 25.720 -1.715 1.00 0.00 N ATOM 388 CA GLY A 23 -1.751 25.373 -0.460 1.00 0.00 C ATOM 389 C GLY A 23 -2.539 24.072 -0.522 1.00 0.00 C ATOM 390 O GLY A 23 -3.387 23.815 0.343 1.00 0.00 O ATOM 0 H GLY A 23 -0.149 25.332 -1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.001 25.296 0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.425 26.182 -0.179 1.00 0.00 H new ATOM 394 N GLU A 24 -2.233 23.214 -1.514 1.00 0.00 N ATOM 395 CA GLU A 24 -2.944 21.939 -1.721 1.00 0.00 C ATOM 396 C GLU A 24 -2.179 20.816 -1.006 1.00 0.00 C ATOM 397 O GLU A 24 -0.954 20.729 -1.137 1.00 0.00 O ATOM 398 CB GLU A 24 -3.058 21.604 -3.234 1.00 0.00 C ATOM 399 CG GLU A 24 -3.783 22.661 -4.080 1.00 0.00 C ATOM 400 CD GLU A 24 -3.835 22.280 -5.571 1.00 0.00 C ATOM 401 OE1 GLU A 24 -2.764 22.260 -6.223 1.00 0.00 O ATOM 402 OE2 GLU A 24 -4.931 21.991 -6.097 1.00 0.00 O ATOM 0 H GLU A 24 -1.490 23.384 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.951 22.030 -1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.055 21.464 -3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.580 20.653 -3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.798 22.790 -3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.278 23.621 -3.970 1.00 0.00 H new ATOM 409 N ILE A 25 -2.895 19.974 -0.240 1.00 0.00 N ATOM 410 CA ILE A 25 -2.300 18.796 0.406 1.00 0.00 C ATOM 411 C ILE A 25 -2.103 17.701 -0.660 1.00 0.00 C ATOM 412 O ILE A 25 -3.044 16.968 -1.001 1.00 0.00 O ATOM 413 CB ILE A 25 -3.185 18.259 1.602 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.449 19.388 2.657 1.00 0.00 C ATOM 415 CG2 ILE A 25 -2.551 17.000 2.260 1.00 0.00 C ATOM 416 CD1 ILE A 25 -2.206 19.983 3.301 1.00 0.00 C ATOM 0 H ILE A 25 -3.891 20.091 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.340 19.081 0.837 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.149 17.957 1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.007 20.190 2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.087 18.985 3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.186 16.658 3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.459 16.208 1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.563 17.250 2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.499 20.754 4.014 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.655 19.199 3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.572 20.423 2.531 1.00 0.00 H new ATOM 428 N LEU A 26 -0.894 17.657 -1.242 1.00 0.00 N ATOM 429 CA LEU A 26 -0.536 16.682 -2.280 1.00 0.00 C ATOM 430 C LEU A 26 -0.147 15.352 -1.617 1.00 0.00 C ATOM 431 O LEU A 26 0.897 15.261 -0.953 1.00 0.00 O ATOM 432 CB LEU A 26 0.629 17.216 -3.165 1.00 0.00 C ATOM 433 CG LEU A 26 0.392 18.584 -3.887 1.00 0.00 C ATOM 434 CD1 LEU A 26 1.547 18.899 -4.861 1.00 0.00 C ATOM 435 CD2 LEU A 26 -0.977 18.634 -4.603 1.00 0.00 C ATOM 0 H LEU A 26 -0.137 18.298 -1.004 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.397 16.522 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.516 17.311 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.852 16.465 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 26 0.375 19.358 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.360 19.855 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.485 18.952 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.613 18.113 -5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.098 19.602 -5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.025 17.843 -5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.775 18.493 -3.874 1.00 0.00 H new ATOM 447 N GLU A 27 -1.015 14.341 -1.772 1.00 0.00 N ATOM 448 CA GLU A 27 -0.784 13.000 -1.242 1.00 0.00 C ATOM 449 C GLU A 27 0.079 12.207 -2.229 1.00 0.00 C ATOM 450 O GLU A 27 -0.411 11.637 -3.213 1.00 0.00 O ATOM 451 CB GLU A 27 -2.132 12.297 -0.939 1.00 0.00 C ATOM 452 CG GLU A 27 -2.936 13.005 0.168 1.00 0.00 C ATOM 453 CD GLU A 27 -4.234 12.284 0.560 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.151 11.201 1.179 1.00 0.00 O ATOM 455 OE2 GLU A 27 -5.336 12.805 0.282 1.00 0.00 O ATOM 0 H GLU A 27 -1.899 14.437 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.243 13.061 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.730 12.259 -1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.941 11.266 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.307 13.104 1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.180 14.014 -0.164 1.00 0.00 H new ATOM 462 N THR A 28 1.376 12.213 -1.945 1.00 0.00 N ATOM 463 CA THR A 28 2.416 11.582 -2.768 1.00 0.00 C ATOM 464 C THR A 28 2.966 10.382 -1.999 1.00 0.00 C ATOM 465 O THR A 28 2.496 10.084 -0.900 1.00 0.00 O ATOM 466 CB THR A 28 3.562 12.595 -3.109 1.00 0.00 C ATOM 467 OG1 THR A 28 4.131 13.121 -1.909 1.00 0.00 O ATOM 468 CG2 THR A 28 3.059 13.753 -3.978 1.00 0.00 C ATOM 0 H THR A 28 1.750 12.669 -1.113 1.00 0.00 H new ATOM 0 HA THR A 28 1.987 11.257 -3.716 1.00 0.00 H new ATOM 0 HB THR A 28 4.319 12.048 -3.671 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.528 12.945 -1.157 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.884 14.432 -4.192 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.661 13.360 -4.913 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.274 14.291 -3.448 1.00 0.00 H new ATOM 476 N TRP A 29 3.957 9.686 -2.554 1.00 0.00 N ATOM 477 CA TRP A 29 4.444 8.419 -1.993 1.00 0.00 C ATOM 478 C TRP A 29 5.963 8.456 -1.824 1.00 0.00 C ATOM 479 O TRP A 29 6.688 8.599 -2.808 1.00 0.00 O ATOM 480 CB TRP A 29 4.009 7.257 -2.922 1.00 0.00 C ATOM 481 CG TRP A 29 2.505 7.104 -3.000 1.00 0.00 C ATOM 482 CD1 TRP A 29 1.668 7.551 -3.991 1.00 0.00 C ATOM 483 CD2 TRP A 29 1.668 6.497 -2.014 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.369 7.242 -3.684 1.00 0.00 N ATOM 485 CE2 TRP A 29 0.342 6.596 -2.475 1.00 0.00 C ATOM 486 CE3 TRP A 29 1.916 5.862 -0.791 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.738 6.103 -1.743 1.00 0.00 C ATOM 488 CZ3 TRP A 29 0.848 5.370 -0.069 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.467 5.488 -0.547 1.00 0.00 C ATOM 0 H TRP A 29 4.445 9.979 -3.400 1.00 0.00 H new ATOM 0 HA TRP A 29 4.011 8.263 -1.005 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.405 7.429 -3.923 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.447 6.326 -2.562 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.987 8.070 -4.883 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.445 7.457 -4.260 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.925 5.759 -0.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.751 6.202 -2.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.027 4.886 0.880 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.281 5.087 0.038 1.00 0.00 H new ATOM 500 N GLU A 30 6.424 8.386 -0.564 1.00 0.00 N ATOM 501 CA GLU A 30 7.846 8.219 -0.238 1.00 0.00 C ATOM 502 C GLU A 30 8.132 6.731 0.052 1.00 0.00 C ATOM 503 O GLU A 30 7.645 6.177 1.043 1.00 0.00 O ATOM 504 CB GLU A 30 8.282 9.140 0.948 1.00 0.00 C ATOM 505 CG GLU A 30 7.452 9.035 2.244 1.00 0.00 C ATOM 506 CD GLU A 30 8.059 9.838 3.412 1.00 0.00 C ATOM 507 OE1 GLU A 30 7.943 11.085 3.426 1.00 0.00 O ATOM 508 OE2 GLU A 30 8.679 9.232 4.309 1.00 0.00 O ATOM 0 H GLU A 30 5.820 8.444 0.256 1.00 0.00 H new ATOM 0 HA GLU A 30 8.443 8.529 -1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.321 8.916 1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.250 10.174 0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.440 9.392 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.371 7.987 2.534 1.00 0.00 H new ATOM 515 N ASP A 31 8.869 6.079 -0.866 1.00 0.00 N ATOM 516 CA ASP A 31 9.358 4.699 -0.667 1.00 0.00 C ATOM 517 C ASP A 31 10.331 4.692 0.526 1.00 0.00 C ATOM 518 O ASP A 31 11.187 5.574 0.628 1.00 0.00 O ATOM 519 CB ASP A 31 10.009 4.129 -1.959 1.00 0.00 C ATOM 520 CG ASP A 31 11.285 4.871 -2.392 1.00 0.00 C ATOM 521 OD1 ASP A 31 11.172 5.946 -3.029 1.00 0.00 O ATOM 522 OD2 ASP A 31 12.411 4.394 -2.092 1.00 0.00 O ATOM 0 H ASP A 31 9.141 6.488 -1.760 1.00 0.00 H new ATOM 0 HA ASP A 31 8.517 4.042 -0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.248 3.077 -1.801 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.282 4.172 -2.770 1.00 0.00 H new ATOM 527 N GLY A 32 10.195 3.706 1.424 1.00 0.00 N ATOM 528 CA GLY A 32 10.793 3.784 2.760 1.00 0.00 C ATOM 529 C GLY A 32 11.914 2.793 2.967 1.00 0.00 C ATOM 530 O GLY A 32 12.970 2.918 2.348 1.00 0.00 O ATOM 0 H GLY A 32 9.676 2.846 1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.173 4.792 2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.020 3.610 3.508 1.00 0.00 H new ATOM 534 N HIS A 33 11.684 1.805 3.843 1.00 0.00 N ATOM 535 CA HIS A 33 12.683 0.774 4.173 1.00 0.00 C ATOM 536 C HIS A 33 12.339 -0.524 3.451 1.00 0.00 C ATOM 537 O HIS A 33 11.171 -0.931 3.429 1.00 0.00 O ATOM 538 CB HIS A 33 12.738 0.539 5.703 1.00 0.00 C ATOM 539 CG HIS A 33 13.328 1.689 6.478 1.00 0.00 C ATOM 540 ND1 HIS A 33 12.569 2.619 7.151 1.00 0.00 N ATOM 541 CD2 HIS A 33 14.618 2.046 6.677 1.00 0.00 C ATOM 542 CE1 HIS A 33 13.367 3.494 7.736 1.00 0.00 C ATOM 543 NE2 HIS A 33 14.618 3.173 7.464 1.00 0.00 N ATOM 0 H HIS A 33 10.802 1.696 4.343 1.00 0.00 H new ATOM 0 HA HIS A 33 13.664 1.117 3.845 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.729 0.348 6.068 1.00 0.00 H new ATOM 0 HB3 HIS A 33 13.324 -0.358 5.902 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.488 1.538 6.289 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.049 4.333 8.337 1.00 0.00 H new ATOM 0 HE2 HIS A 33 15.445 3.676 7.784 1.00 0.00 H new ATOM 552 N THR A 34 13.350 -1.169 2.854 1.00 0.00 N ATOM 553 CA THR A 34 13.192 -2.467 2.207 1.00 0.00 C ATOM 554 C THR A 34 13.717 -3.564 3.147 1.00 0.00 C ATOM 555 O THR A 34 14.934 -3.759 3.257 1.00 0.00 O ATOM 556 CB THR A 34 13.940 -2.511 0.834 1.00 0.00 C ATOM 557 OG1 THR A 34 13.533 -1.400 0.019 1.00 0.00 O ATOM 558 CG2 THR A 34 13.661 -3.808 0.067 1.00 0.00 C ATOM 0 H THR A 34 14.300 -0.800 2.809 1.00 0.00 H new ATOM 0 HA THR A 34 12.134 -2.636 2.005 1.00 0.00 H new ATOM 0 HB THR A 34 15.007 -2.460 1.049 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.789 -1.673 -0.558 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.201 -3.794 -0.880 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.992 -4.660 0.661 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.592 -3.893 -0.126 1.00 0.00 H new ATOM 566 N LEU A 35 12.800 -4.233 3.864 1.00 0.00 N ATOM 567 CA LEU A 35 13.153 -5.312 4.813 1.00 0.00 C ATOM 568 C LEU A 35 12.726 -6.678 4.261 1.00 0.00 C ATOM 569 O LEU A 35 12.195 -6.781 3.156 1.00 0.00 O ATOM 570 CB LEU A 35 12.514 -5.083 6.221 1.00 0.00 C ATOM 571 CG LEU A 35 10.944 -5.041 6.284 1.00 0.00 C ATOM 572 CD1 LEU A 35 10.403 -5.594 7.623 1.00 0.00 C ATOM 573 CD2 LEU A 35 10.417 -3.613 6.029 1.00 0.00 C ATOM 0 H LEU A 35 11.799 -4.046 3.806 1.00 0.00 H new ATOM 0 HA LEU A 35 14.237 -5.295 4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.860 -5.875 6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.896 -4.143 6.620 1.00 0.00 H new ATOM 0 HG LEU A 35 10.575 -5.691 5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.314 -5.546 7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.721 -6.630 7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.792 -4.997 8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.328 -3.613 6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.815 -2.938 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.736 -3.279 5.042 1.00 0.00 H new ATOM 585 N TRP A 36 12.998 -7.719 5.054 1.00 0.00 N ATOM 586 CA TRP A 36 12.696 -9.117 4.712 1.00 0.00 C ATOM 587 C TRP A 36 11.172 -9.437 4.815 1.00 0.00 C ATOM 588 O TRP A 36 10.471 -8.882 5.667 1.00 0.00 O ATOM 589 CB TRP A 36 13.506 -10.060 5.636 1.00 0.00 C ATOM 590 CG TRP A 36 14.941 -9.644 5.863 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.483 -9.173 7.023 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.995 -9.628 4.897 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.813 -8.891 6.843 1.00 0.00 N ATOM 594 CE2 TRP A 36 17.152 -9.158 5.546 1.00 0.00 C ATOM 595 CE3 TRP A 36 16.074 -9.979 3.554 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.369 -9.021 4.894 1.00 0.00 C ATOM 597 CZ3 TRP A 36 17.281 -9.838 2.905 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.419 -9.365 3.574 1.00 0.00 C ATOM 0 H TRP A 36 13.441 -7.615 5.967 1.00 0.00 H new ATOM 0 HA TRP A 36 12.984 -9.276 3.673 1.00 0.00 H new ATOM 0 HB2 TRP A 36 13.003 -10.121 6.601 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.496 -11.062 5.208 1.00 0.00 H new ATOM 0 HD1 TRP A 36 14.943 -9.041 7.949 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.447 -8.539 7.561 1.00 0.00 H new ATOM 0 HE3 TRP A 36 15.207 -10.354 3.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 19.244 -8.656 5.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 17.352 -10.097 1.859 1.00 0.00 H new ATOM 0 HH2 TRP A 36 19.351 -9.271 3.036 1.00 0.00 H new ATOM 609 N ALA A 37 10.700 -10.340 3.921 1.00 0.00 N ATOM 610 CA ALA A 37 9.290 -10.836 3.902 1.00 0.00 C ATOM 611 C ALA A 37 9.146 -12.186 3.201 1.00 0.00 C ATOM 612 O ALA A 37 10.056 -12.640 2.527 1.00 0.00 O ATOM 613 CB ALA A 37 8.373 -9.832 3.204 1.00 0.00 C ATOM 0 H ALA A 37 11.282 -10.749 3.190 1.00 0.00 H new ATOM 0 HA ALA A 37 9.002 -10.958 4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.352 -10.213 3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.404 -8.881 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.708 -9.686 2.177 1.00 0.00 H new ATOM 619 N SER A 38 7.980 -12.835 3.381 1.00 0.00 N ATOM 620 CA SER A 38 7.532 -13.946 2.546 1.00 0.00 C ATOM 621 C SER A 38 6.346 -13.436 1.726 1.00 0.00 C ATOM 622 O SER A 38 5.211 -13.400 2.219 1.00 0.00 O ATOM 623 CB SER A 38 7.103 -15.154 3.409 1.00 0.00 C ATOM 624 OG SER A 38 6.856 -16.297 2.604 1.00 0.00 O ATOM 0 H SER A 38 7.321 -12.593 4.121 1.00 0.00 H new ATOM 0 HA SER A 38 8.342 -14.285 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.883 -15.380 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.205 -14.901 3.972 1.00 0.00 H new ATOM 0 HG SER A 38 6.378 -16.028 1.792 1.00 0.00 H new ATOM 630 N VAL A 39 6.614 -13.002 0.496 1.00 0.00 N ATOM 631 CA VAL A 39 5.604 -12.390 -0.366 1.00 0.00 C ATOM 632 C VAL A 39 5.037 -13.464 -1.319 1.00 0.00 C ATOM 633 O VAL A 39 5.579 -13.735 -2.396 1.00 0.00 O ATOM 634 CB VAL A 39 6.214 -11.145 -1.124 1.00 0.00 C ATOM 635 CG1 VAL A 39 7.537 -11.477 -1.865 1.00 0.00 C ATOM 636 CG2 VAL A 39 5.183 -10.514 -2.075 1.00 0.00 C ATOM 0 H VAL A 39 7.538 -13.065 0.068 1.00 0.00 H new ATOM 0 HA VAL A 39 4.774 -12.008 0.228 1.00 0.00 H new ATOM 0 HB VAL A 39 6.467 -10.411 -0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.907 -10.583 -2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.279 -11.824 -1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.354 -12.258 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.631 -9.660 -2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.870 -11.252 -2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.316 -10.183 -1.504 1.00 0.00 H new ATOM 646 N ASN A 40 3.962 -14.129 -0.869 1.00 0.00 N ATOM 647 CA ASN A 40 3.295 -15.205 -1.621 1.00 0.00 C ATOM 648 C ASN A 40 1.909 -14.724 -2.049 1.00 0.00 C ATOM 649 O ASN A 40 1.127 -14.262 -1.212 1.00 0.00 O ATOM 650 CB ASN A 40 3.140 -16.505 -0.762 1.00 0.00 C ATOM 651 CG ASN A 40 4.448 -17.238 -0.423 1.00 0.00 C ATOM 652 OD1 ASN A 40 5.500 -16.512 -0.090 1.00 0.00 O flip ATOM 653 ND2 ASN A 40 4.489 -18.472 -0.407 1.00 0.00 N flip ATOM 0 H ASN A 40 3.527 -13.934 0.033 1.00 0.00 H new ATOM 0 HA ASN A 40 3.910 -15.445 -2.488 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.638 -16.245 0.170 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.486 -17.195 -1.295 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.665 -19.013 -0.668 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.347 -18.950 -0.133 1.00 0.00 H new ATOM 660 N MET A 41 1.602 -14.837 -3.347 1.00 0.00 N ATOM 661 CA MET A 41 0.255 -14.569 -3.861 1.00 0.00 C ATOM 662 C MET A 41 -0.698 -15.647 -3.318 1.00 0.00 C ATOM 663 O MET A 41 -0.336 -16.834 -3.255 1.00 0.00 O ATOM 664 CB MET A 41 0.241 -14.532 -5.410 1.00 0.00 C ATOM 665 CG MET A 41 1.211 -13.505 -6.034 1.00 0.00 C ATOM 666 SD MET A 41 0.984 -13.298 -7.814 1.00 0.00 S ATOM 667 CE MET A 41 -0.646 -12.545 -7.878 1.00 0.00 C ATOM 0 H MET A 41 2.273 -15.114 -4.063 1.00 0.00 H new ATOM 0 HA MET A 41 -0.076 -13.587 -3.523 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.490 -15.524 -5.787 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.771 -14.308 -5.747 1.00 0.00 H new ATOM 0 HG2 MET A 41 1.074 -12.542 -5.543 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.236 -13.819 -5.840 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.825 -12.150 -8.878 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.402 -13.294 -7.642 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.701 -11.734 -7.152 1.00 0.00 H new ATOM 677 N VAL A 42 -1.891 -15.223 -2.900 1.00 0.00 N ATOM 678 CA VAL A 42 -2.872 -16.088 -2.223 1.00 0.00 C ATOM 679 C VAL A 42 -3.428 -17.172 -3.166 1.00 0.00 C ATOM 680 O VAL A 42 -3.322 -17.061 -4.387 1.00 0.00 O ATOM 681 CB VAL A 42 -4.060 -15.254 -1.617 1.00 0.00 C ATOM 682 CG1 VAL A 42 -3.534 -14.139 -0.676 1.00 0.00 C ATOM 683 CG2 VAL A 42 -4.998 -14.689 -2.723 1.00 0.00 C ATOM 0 H VAL A 42 -2.211 -14.262 -3.020 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.338 -16.579 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.665 -15.933 -1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.376 -13.578 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.971 -14.589 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.885 -13.466 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.804 -14.120 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.428 -14.038 -3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.419 -15.513 -3.299 1.00 0.00 H new ATOM 693 N SER A 43 -3.979 -18.234 -2.574 1.00 0.00 N ATOM 694 CA SER A 43 -4.665 -19.305 -3.310 1.00 0.00 C ATOM 695 C SER A 43 -6.120 -18.896 -3.620 1.00 0.00 C ATOM 696 O SER A 43 -6.636 -17.908 -3.066 1.00 0.00 O ATOM 697 CB SER A 43 -4.621 -20.596 -2.467 1.00 0.00 C ATOM 698 OG SER A 43 -3.281 -20.931 -2.136 1.00 0.00 O ATOM 0 H SER A 43 -3.963 -18.378 -1.564 1.00 0.00 H new ATOM 0 HA SER A 43 -4.162 -19.481 -4.261 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.204 -20.462 -1.556 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.080 -21.415 -3.021 1.00 0.00 H new ATOM 0 HG SER A 43 -3.272 -21.751 -1.600 1.00 0.00 H new ATOM 704 N SER A 44 -6.782 -19.682 -4.491 1.00 0.00 N ATOM 705 CA SER A 44 -8.187 -19.447 -4.901 1.00 0.00 C ATOM 706 C SER A 44 -9.162 -19.577 -3.708 1.00 0.00 C ATOM 707 O SER A 44 -10.272 -19.033 -3.739 1.00 0.00 O ATOM 708 CB SER A 44 -8.576 -20.438 -6.027 1.00 0.00 C ATOM 709 OG SER A 44 -8.428 -21.793 -5.620 1.00 0.00 O ATOM 0 H SER A 44 -6.361 -20.499 -4.932 1.00 0.00 H new ATOM 0 HA SER A 44 -8.264 -18.425 -5.273 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.609 -20.260 -6.325 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.955 -20.253 -6.903 1.00 0.00 H new ATOM 0 HG SER A 44 -8.685 -22.386 -6.357 1.00 0.00 H new ATOM 715 N LYS A 45 -8.698 -20.297 -2.660 1.00 0.00 N ATOM 716 CA LYS A 45 -9.434 -20.539 -1.397 1.00 0.00 C ATOM 717 C LYS A 45 -10.030 -19.247 -0.798 1.00 0.00 C ATOM 718 O LYS A 45 -11.124 -19.275 -0.240 1.00 0.00 O ATOM 719 CB LYS A 45 -8.481 -21.203 -0.363 1.00 0.00 C ATOM 720 CG LYS A 45 -9.113 -21.500 1.026 1.00 0.00 C ATOM 721 CD LYS A 45 -10.285 -22.529 0.987 1.00 0.00 C ATOM 722 CE LYS A 45 -9.826 -24.003 0.989 1.00 0.00 C ATOM 723 NZ LYS A 45 -8.954 -24.353 -0.161 1.00 0.00 N ATOM 0 H LYS A 45 -7.778 -20.737 -2.670 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.269 -21.200 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.110 -22.138 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.617 -20.554 -0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.337 -21.875 1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.478 -20.566 1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.933 -22.360 1.847 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.885 -22.347 0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.291 -24.207 1.916 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.704 -24.649 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.010 -25.376 -0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.270 -23.835 -1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.971 -24.093 0.057 1.00 0.00 H new ATOM 737 N GLU A 46 -9.297 -18.132 -0.935 1.00 0.00 N ATOM 738 CA GLU A 46 -9.693 -16.830 -0.365 1.00 0.00 C ATOM 739 C GLU A 46 -11.033 -16.346 -0.949 1.00 0.00 C ATOM 740 O GLU A 46 -11.934 -15.942 -0.205 1.00 0.00 O ATOM 741 CB GLU A 46 -8.579 -15.789 -0.616 1.00 0.00 C ATOM 742 CG GLU A 46 -7.186 -16.226 -0.129 1.00 0.00 C ATOM 743 CD GLU A 46 -7.154 -16.668 1.342 1.00 0.00 C ATOM 744 OE1 GLU A 46 -7.272 -15.800 2.232 1.00 0.00 O ATOM 745 OE2 GLU A 46 -7.012 -17.883 1.616 1.00 0.00 O ATOM 0 H GLU A 46 -8.413 -18.105 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.831 -16.952 0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.528 -15.578 -1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.849 -14.857 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.834 -17.047 -0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.488 -15.400 -0.266 1.00 0.00 H new ATOM 752 N ALA A 47 -11.152 -16.443 -2.280 1.00 0.00 N ATOM 753 CA ALA A 47 -12.357 -16.019 -3.012 1.00 0.00 C ATOM 754 C ALA A 47 -13.525 -16.987 -2.741 1.00 0.00 C ATOM 755 O ALA A 47 -14.652 -16.554 -2.467 1.00 0.00 O ATOM 756 CB ALA A 47 -12.060 -15.925 -4.519 1.00 0.00 C ATOM 0 H ALA A 47 -10.417 -16.817 -2.881 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.650 -15.031 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.960 -15.611 -5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.266 -15.198 -4.689 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.744 -16.900 -4.889 1.00 0.00 H new ATOM 762 N ILE A 48 -13.225 -18.299 -2.826 1.00 0.00 N ATOM 763 CA ILE A 48 -14.214 -19.388 -2.633 1.00 0.00 C ATOM 764 C ILE A 48 -14.881 -19.323 -1.232 1.00 0.00 C ATOM 765 O ILE A 48 -16.112 -19.395 -1.114 1.00 0.00 O ATOM 766 CB ILE A 48 -13.536 -20.801 -2.833 1.00 0.00 C ATOM 767 CG1 ILE A 48 -12.874 -20.904 -4.246 1.00 0.00 C ATOM 768 CG2 ILE A 48 -14.544 -21.963 -2.609 1.00 0.00 C ATOM 769 CD1 ILE A 48 -12.082 -22.181 -4.488 1.00 0.00 C ATOM 0 H ILE A 48 -12.285 -18.638 -3.032 1.00 0.00 H new ATOM 0 HA ILE A 48 -14.991 -19.250 -3.385 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.756 -20.898 -2.078 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.654 -20.828 -5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -12.211 -20.050 -4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -14.038 -22.917 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.937 -21.913 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.365 -21.874 -3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.660 -22.163 -5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -11.276 -22.253 -3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.742 -23.043 -4.387 1.00 0.00 H new ATOM 781 N SER A 49 -14.043 -19.160 -0.191 1.00 0.00 N ATOM 782 CA SER A 49 -14.470 -19.194 1.223 1.00 0.00 C ATOM 783 C SER A 49 -15.189 -17.892 1.617 1.00 0.00 C ATOM 784 O SER A 49 -16.097 -17.914 2.453 1.00 0.00 O ATOM 785 CB SER A 49 -13.241 -19.439 2.143 1.00 0.00 C ATOM 786 OG SER A 49 -13.620 -19.633 3.502 1.00 0.00 O ATOM 0 H SER A 49 -13.042 -19.000 -0.307 1.00 0.00 H new ATOM 0 HA SER A 49 -15.176 -20.015 1.349 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.694 -20.314 1.791 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.562 -18.589 2.074 1.00 0.00 H new ATOM 0 HG SER A 49 -12.819 -19.785 4.046 1.00 0.00 H new ATOM 792 N SER A 50 -14.772 -16.766 1.008 1.00 0.00 N ATOM 793 CA SER A 50 -15.359 -15.442 1.285 1.00 0.00 C ATOM 794 C SER A 50 -16.744 -15.300 0.638 1.00 0.00 C ATOM 795 O SER A 50 -17.698 -14.832 1.277 1.00 0.00 O ATOM 796 CB SER A 50 -14.425 -14.327 0.777 1.00 0.00 C ATOM 797 OG SER A 50 -14.965 -13.041 1.014 1.00 0.00 O ATOM 0 H SER A 50 -14.024 -16.748 0.315 1.00 0.00 H new ATOM 0 HA SER A 50 -15.476 -15.348 2.365 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.457 -14.411 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.251 -14.457 -0.291 1.00 0.00 H new ATOM 0 HG SER A 50 -14.699 -12.734 1.906 1.00 0.00 H new ATOM 803 N GLY A 51 -16.841 -15.717 -0.632 1.00 0.00 N ATOM 804 CA GLY A 51 -18.053 -15.555 -1.426 1.00 0.00 C ATOM 805 C GLY A 51 -17.861 -14.534 -2.542 1.00 0.00 C ATOM 806 O GLY A 51 -17.680 -14.908 -3.703 1.00 0.00 O ATOM 0 H GLY A 51 -16.079 -16.175 -1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.338 -16.515 -1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.872 -15.239 -0.780 1.00 0.00 H new ATOM 810 N ALA A 52 -17.863 -13.232 -2.180 1.00 0.00 N ATOM 811 CA ALA A 52 -17.812 -12.118 -3.163 1.00 0.00 C ATOM 812 C ALA A 52 -17.081 -10.874 -2.605 1.00 0.00 C ATOM 813 O ALA A 52 -17.149 -9.790 -3.205 1.00 0.00 O ATOM 814 CB ALA A 52 -19.248 -11.769 -3.606 1.00 0.00 C ATOM 0 H ALA A 52 -17.900 -12.922 -1.209 1.00 0.00 H new ATOM 0 HA ALA A 52 -17.234 -12.448 -4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -19.218 -10.952 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -19.709 -12.643 -4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -19.833 -11.465 -2.738 1.00 0.00 H new ATOM 820 N GLU A 53 -16.362 -11.035 -1.478 1.00 0.00 N ATOM 821 CA GLU A 53 -15.630 -9.928 -0.820 1.00 0.00 C ATOM 822 C GLU A 53 -14.138 -10.002 -1.201 1.00 0.00 C ATOM 823 O GLU A 53 -13.613 -9.107 -1.881 1.00 0.00 O ATOM 824 CB GLU A 53 -15.826 -9.998 0.715 1.00 0.00 C ATOM 825 CG GLU A 53 -15.241 -8.806 1.485 1.00 0.00 C ATOM 826 CD GLU A 53 -15.488 -8.903 2.997 1.00 0.00 C ATOM 827 OE1 GLU A 53 -16.669 -8.864 3.419 1.00 0.00 O ATOM 828 OE2 GLU A 53 -14.516 -9.046 3.768 1.00 0.00 O ATOM 0 H GLU A 53 -16.270 -11.930 -0.997 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.025 -8.971 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -16.892 -10.065 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.367 -10.915 1.086 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.169 -8.748 1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.680 -7.883 1.107 1.00 0.00 H new ATOM 835 N LEU A 54 -13.474 -11.096 -0.783 1.00 0.00 N ATOM 836 CA LEU A 54 -12.081 -11.392 -1.167 1.00 0.00 C ATOM 837 C LEU A 54 -12.062 -11.994 -2.579 1.00 0.00 C ATOM 838 O LEU A 54 -13.022 -12.664 -2.988 1.00 0.00 O ATOM 839 CB LEU A 54 -11.415 -12.371 -0.152 1.00 0.00 C ATOM 840 CG LEU A 54 -11.412 -11.930 1.350 1.00 0.00 C ATOM 841 CD1 LEU A 54 -10.675 -12.965 2.231 1.00 0.00 C ATOM 842 CD2 LEU A 54 -10.826 -10.506 1.533 1.00 0.00 C ATOM 0 H LEU A 54 -13.888 -11.799 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.509 -10.464 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.923 -13.333 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.382 -12.532 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.450 -11.890 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.688 -12.634 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.174 -13.931 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.643 -13.061 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.842 -10.239 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.799 -10.486 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.425 -9.791 0.969 1.00 0.00 H new ATOM 854 N ALA A 55 -10.970 -11.756 -3.313 1.00 0.00 N ATOM 855 CA ALA A 55 -10.797 -12.243 -4.692 1.00 0.00 C ATOM 856 C ALA A 55 -9.385 -12.801 -4.882 1.00 0.00 C ATOM 857 O ALA A 55 -8.508 -12.621 -4.025 1.00 0.00 O ATOM 858 CB ALA A 55 -11.092 -11.123 -5.711 1.00 0.00 C ATOM 0 H ALA A 55 -10.175 -11.218 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.511 -13.048 -4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.958 -11.507 -6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.119 -10.779 -5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.408 -10.291 -5.545 1.00 0.00 H new ATOM 864 N ILE A 56 -9.194 -13.493 -6.009 1.00 0.00 N ATOM 865 CA ILE A 56 -7.895 -14.051 -6.408 1.00 0.00 C ATOM 866 C ILE A 56 -7.016 -12.914 -6.993 1.00 0.00 C ATOM 867 O ILE A 56 -7.537 -11.883 -7.441 1.00 0.00 O ATOM 868 CB ILE A 56 -8.079 -15.215 -7.465 1.00 0.00 C ATOM 869 CG1 ILE A 56 -9.182 -16.229 -7.005 1.00 0.00 C ATOM 870 CG2 ILE A 56 -6.745 -15.952 -7.734 1.00 0.00 C ATOM 871 CD1 ILE A 56 -9.489 -17.355 -7.998 1.00 0.00 C ATOM 0 H ILE A 56 -9.941 -13.684 -6.676 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.404 -14.478 -5.533 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.404 -14.755 -8.398 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -8.872 -16.675 -6.060 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -10.102 -15.677 -6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.908 -16.745 -8.464 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.011 -15.246 -8.123 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.375 -16.385 -6.805 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.264 -18.002 -7.587 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.835 -16.926 -8.938 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.586 -17.939 -8.176 1.00 0.00 H new ATOM 883 N GLY A 57 -5.690 -13.100 -6.964 1.00 0.00 N ATOM 884 CA GLY A 57 -4.731 -12.083 -7.419 1.00 0.00 C ATOM 885 C GLY A 57 -4.198 -11.238 -6.269 1.00 0.00 C ATOM 886 O GLY A 57 -3.253 -10.453 -6.440 1.00 0.00 O ATOM 0 H GLY A 57 -5.252 -13.957 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.898 -12.572 -7.924 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.212 -11.435 -8.151 1.00 0.00 H new ATOM 890 N THR A 58 -4.831 -11.404 -5.097 1.00 0.00 N ATOM 891 CA THR A 58 -4.381 -10.839 -3.823 1.00 0.00 C ATOM 892 C THR A 58 -3.028 -11.472 -3.418 1.00 0.00 C ATOM 893 O THR A 58 -2.718 -12.593 -3.815 1.00 0.00 O ATOM 894 CB THR A 58 -5.480 -11.088 -2.731 1.00 0.00 C ATOM 895 OG1 THR A 58 -6.720 -10.490 -3.153 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.108 -10.560 -1.327 1.00 0.00 C ATOM 0 H THR A 58 -5.689 -11.948 -5.011 1.00 0.00 H new ATOM 0 HA THR A 58 -4.231 -9.764 -3.922 1.00 0.00 H new ATOM 0 HB THR A 58 -5.574 -12.170 -2.636 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.336 -11.191 -3.452 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.920 -10.772 -0.632 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.198 -11.051 -0.983 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.943 -9.484 -1.375 1.00 0.00 H new ATOM 904 N VAL A 59 -2.220 -10.730 -2.659 1.00 0.00 N ATOM 905 CA VAL A 59 -0.887 -11.153 -2.228 1.00 0.00 C ATOM 906 C VAL A 59 -0.790 -11.057 -0.697 1.00 0.00 C ATOM 907 O VAL A 59 -1.082 -10.011 -0.120 1.00 0.00 O ATOM 908 CB VAL A 59 0.239 -10.278 -2.888 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.641 -10.810 -2.507 1.00 0.00 C ATOM 910 CG2 VAL A 59 0.055 -10.201 -4.425 1.00 0.00 C ATOM 0 H VAL A 59 -2.478 -9.803 -2.321 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.738 -12.184 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 59 0.154 -9.263 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.405 -10.189 -2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.760 -10.778 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.747 -11.838 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.848 -9.589 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.100 -11.205 -4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.913 -9.755 -4.654 1.00 0.00 H new ATOM 920 N ARG A 60 -0.406 -12.163 -0.061 1.00 0.00 N ATOM 921 CA ARG A 60 -0.155 -12.227 1.382 1.00 0.00 C ATOM 922 C ARG A 60 1.351 -12.070 1.642 1.00 0.00 C ATOM 923 O ARG A 60 2.173 -12.716 0.991 1.00 0.00 O ATOM 924 CB ARG A 60 -0.677 -13.566 1.934 1.00 0.00 C ATOM 925 CG ARG A 60 -0.632 -13.693 3.468 1.00 0.00 C ATOM 926 CD ARG A 60 -1.198 -15.040 3.944 1.00 0.00 C ATOM 927 NE ARG A 60 -2.557 -15.263 3.429 1.00 0.00 N ATOM 928 CZ ARG A 60 -3.657 -15.366 4.169 1.00 0.00 C ATOM 929 NH1 ARG A 60 -3.584 -15.366 5.491 1.00 0.00 N ATOM 930 NH2 ARG A 60 -4.828 -15.498 3.583 1.00 0.00 N ATOM 0 H ARG A 60 -0.258 -13.052 -0.538 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.680 -11.419 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.706 -13.703 1.602 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.091 -14.376 1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.397 -13.589 3.812 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.202 -12.880 3.917 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.545 -15.848 3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.211 -15.066 5.034 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.665 -15.346 2.418 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.677 -15.286 5.952 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.434 -15.446 6.049 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.889 -15.521 2.565 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.674 -15.577 4.147 1.00 0.00 H new ATOM 944 N ILE A 61 1.702 -11.211 2.606 1.00 0.00 N ATOM 945 CA ILE A 61 3.091 -10.774 2.842 1.00 0.00 C ATOM 946 C ILE A 61 3.400 -10.862 4.348 1.00 0.00 C ATOM 947 O ILE A 61 2.888 -10.078 5.146 1.00 0.00 O ATOM 948 CB ILE A 61 3.306 -9.308 2.287 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.923 -9.252 0.766 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.758 -8.810 2.530 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.948 -7.888 0.122 1.00 0.00 C ATOM 0 H ILE A 61 1.030 -10.795 3.250 1.00 0.00 H new ATOM 0 HA ILE A 61 3.781 -11.428 2.309 1.00 0.00 H new ATOM 0 HB ILE A 61 2.649 -8.632 2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.604 -9.902 0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.922 -9.668 0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.867 -7.800 2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.967 -8.806 3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.460 -9.474 2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.666 -7.976 -0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.244 -7.231 0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.952 -7.470 0.194 1.00 0.00 H new ATOM 963 N TRP A 62 4.225 -11.853 4.721 1.00 0.00 N ATOM 964 CA TRP A 62 4.604 -12.118 6.126 1.00 0.00 C ATOM 965 C TRP A 62 5.934 -11.440 6.466 1.00 0.00 C ATOM 966 O TRP A 62 6.962 -11.752 5.869 1.00 0.00 O ATOM 967 CB TRP A 62 4.712 -13.650 6.379 1.00 0.00 C ATOM 968 CG TRP A 62 3.384 -14.363 6.533 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.234 -14.150 5.829 1.00 0.00 C ATOM 970 CD2 TRP A 62 3.091 -15.425 7.450 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.251 -15.000 6.272 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.754 -15.791 7.257 1.00 0.00 C ATOM 973 CE3 TRP A 62 3.838 -16.095 8.420 1.00 0.00 C ATOM 974 CZ2 TRP A 62 1.141 -16.799 7.992 1.00 0.00 C ATOM 975 CZ3 TRP A 62 3.232 -17.095 9.151 1.00 0.00 C ATOM 976 CH2 TRP A 62 1.896 -17.442 8.932 1.00 0.00 C ATOM 0 H TRP A 62 4.652 -12.498 4.057 1.00 0.00 H new ATOM 0 HA TRP A 62 3.827 -11.705 6.770 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.258 -14.103 5.552 1.00 0.00 H new ATOM 0 HB3 TRP A 62 5.304 -13.815 7.280 1.00 0.00 H new ATOM 0 HD1 TRP A 62 2.115 -13.421 5.041 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.295 -15.033 5.918 1.00 0.00 H new ATOM 0 HE3 TRP A 62 4.872 -15.835 8.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 0.107 -17.064 7.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.800 -17.619 9.906 1.00 0.00 H new ATOM 0 HH2 TRP A 62 1.452 -18.234 9.517 1.00 0.00 H new ATOM 987 N ILE A 63 5.902 -10.541 7.451 1.00 0.00 N ATOM 988 CA ILE A 63 7.098 -9.862 7.984 1.00 0.00 C ATOM 989 C ILE A 63 7.128 -10.041 9.514 1.00 0.00 C ATOM 990 O ILE A 63 6.140 -10.499 10.108 1.00 0.00 O ATOM 991 CB ILE A 63 7.130 -8.323 7.623 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.891 -7.571 8.196 1.00 0.00 C ATOM 993 CG2 ILE A 63 7.237 -8.100 6.099 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.943 -6.060 8.049 1.00 0.00 C ATOM 0 H ILE A 63 5.037 -10.256 7.911 1.00 0.00 H new ATOM 0 HA ILE A 63 7.977 -10.314 7.524 1.00 0.00 H new ATOM 0 HB ILE A 63 8.023 -7.908 8.091 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.995 -7.941 7.697 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.791 -7.817 9.253 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.256 -7.031 5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.153 -8.560 5.727 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.377 -8.552 5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.041 -5.622 8.475 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.817 -5.673 8.574 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.009 -5.799 6.993 1.00 0.00 H new ATOM 1006 N ARG A 64 8.283 -9.742 10.140 1.00 0.00 N ATOM 1007 CA ARG A 64 8.379 -9.574 11.605 1.00 0.00 C ATOM 1008 C ARG A 64 7.400 -8.487 12.092 1.00 0.00 C ATOM 1009 O ARG A 64 6.988 -7.623 11.306 1.00 0.00 O ATOM 1010 CB ARG A 64 9.836 -9.208 12.024 1.00 0.00 C ATOM 1011 CG ARG A 64 10.899 -10.291 11.712 1.00 0.00 C ATOM 1012 CD ARG A 64 10.579 -11.651 12.363 1.00 0.00 C ATOM 1013 NE ARG A 64 10.548 -11.565 13.836 1.00 0.00 N ATOM 1014 CZ ARG A 64 10.036 -12.496 14.657 1.00 0.00 C ATOM 1015 NH1 ARG A 64 9.384 -13.547 14.176 1.00 0.00 N ATOM 1016 NH2 ARG A 64 10.145 -12.345 15.965 1.00 0.00 N ATOM 0 H ARG A 64 9.168 -9.611 9.651 1.00 0.00 H new ATOM 0 HA ARG A 64 8.110 -10.522 12.072 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.122 -8.284 11.520 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.850 -9.005 13.095 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.973 -10.419 10.632 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.873 -9.948 12.060 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.615 -12.009 12.000 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.326 -12.384 12.058 1.00 0.00 H new ATOM 0 HE ARG A 64 10.948 -10.731 14.265 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.266 -13.657 13.169 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.001 -14.245 14.813 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.616 -11.525 16.346 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.758 -13.049 16.594 1.00 0.00 H new ATOM 1030 N TYR A 65 7.035 -8.544 13.385 1.00 0.00 N ATOM 1031 CA TYR A 65 6.121 -7.570 14.001 1.00 0.00 C ATOM 1032 C TYR A 65 6.735 -6.159 13.909 1.00 0.00 C ATOM 1033 O TYR A 65 7.585 -5.776 14.722 1.00 0.00 O ATOM 1034 CB TYR A 65 5.806 -7.963 15.473 1.00 0.00 C ATOM 1035 CG TYR A 65 4.728 -7.086 16.143 1.00 0.00 C ATOM 1036 CD1 TYR A 65 5.060 -5.905 16.819 1.00 0.00 C ATOM 1037 CD2 TYR A 65 3.374 -7.417 16.066 1.00 0.00 C ATOM 1038 CE1 TYR A 65 4.094 -5.105 17.394 1.00 0.00 C ATOM 1039 CE2 TYR A 65 2.407 -6.616 16.647 1.00 0.00 C ATOM 1040 CZ TYR A 65 2.772 -5.463 17.299 1.00 0.00 C ATOM 1041 OH TYR A 65 1.814 -4.660 17.864 1.00 0.00 O ATOM 0 H TYR A 65 7.364 -9.264 14.029 1.00 0.00 H new ATOM 0 HA TYR A 65 5.175 -7.571 13.460 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.480 -9.003 15.498 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.724 -7.902 16.058 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.097 -5.613 16.892 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.076 -8.314 15.544 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.376 -4.202 17.916 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.366 -6.897 16.588 1.00 0.00 H new ATOM 0 HH TYR A 65 0.928 -5.050 17.710 1.00 0.00 H new ATOM 1051 N ARG A 66 6.337 -5.425 12.859 1.00 0.00 N ATOM 1052 CA ARG A 66 6.851 -4.087 12.563 1.00 0.00 C ATOM 1053 C ARG A 66 5.747 -3.051 12.815 1.00 0.00 C ATOM 1054 O ARG A 66 4.711 -3.049 12.144 1.00 0.00 O ATOM 1055 CB ARG A 66 7.391 -4.022 11.105 1.00 0.00 C ATOM 1056 CG ARG A 66 7.997 -2.658 10.702 1.00 0.00 C ATOM 1057 CD ARG A 66 8.730 -2.700 9.349 1.00 0.00 C ATOM 1058 NE ARG A 66 9.142 -1.347 8.903 1.00 0.00 N ATOM 1059 CZ ARG A 66 10.406 -0.898 8.808 1.00 0.00 C ATOM 1060 NH1 ARG A 66 11.432 -1.657 9.179 1.00 0.00 N ATOM 1061 NH2 ARG A 66 10.634 0.340 8.382 1.00 0.00 N ATOM 0 H ARG A 66 5.642 -5.751 12.187 1.00 0.00 H new ATOM 0 HA ARG A 66 7.688 -3.859 13.223 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.150 -4.794 10.978 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.578 -4.260 10.420 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.202 -1.914 10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.693 -2.333 11.476 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.609 -3.339 9.432 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.080 -3.148 8.597 1.00 0.00 H new ATOM 0 HE ARG A 66 8.399 -0.698 8.645 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.267 -2.596 9.542 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.385 -1.301 9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.852 0.944 8.129 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.591 0.686 8.308 1.00 0.00 H new ATOM 1075 N LYS A 67 6.012 -2.167 13.790 1.00 0.00 N ATOM 1076 CA LYS A 67 5.083 -1.107 14.244 1.00 0.00 C ATOM 1077 C LYS A 67 5.080 0.107 13.275 1.00 0.00 C ATOM 1078 O LYS A 67 4.367 1.086 13.499 1.00 0.00 O ATOM 1079 CB LYS A 67 5.510 -0.645 15.670 1.00 0.00 C ATOM 1080 CG LYS A 67 5.753 -1.796 16.674 1.00 0.00 C ATOM 1081 CD LYS A 67 6.131 -1.294 18.088 1.00 0.00 C ATOM 1082 CE LYS A 67 6.359 -2.441 19.096 1.00 0.00 C ATOM 1083 NZ LYS A 67 7.537 -3.282 18.753 1.00 0.00 N ATOM 0 H LYS A 67 6.896 -2.165 14.299 1.00 0.00 H new ATOM 0 HA LYS A 67 4.072 -1.514 14.261 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.422 -0.053 15.588 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.738 0.012 16.071 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.854 -2.409 16.740 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.549 -2.438 16.297 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.036 -0.690 18.023 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.340 -0.643 18.460 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.495 -2.021 20.093 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.469 -3.068 19.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.664 -4.015 19.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.384 -3.734 17.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.388 -2.686 18.710 1.00 0.00 H new ATOM 1097 N ASP A 68 5.870 0.012 12.196 1.00 0.00 N ATOM 1098 CA ASP A 68 6.120 1.116 11.242 1.00 0.00 C ATOM 1099 C ASP A 68 5.117 1.055 10.067 1.00 0.00 C ATOM 1100 O ASP A 68 4.899 2.059 9.376 1.00 0.00 O ATOM 1101 CB ASP A 68 7.592 0.991 10.752 1.00 0.00 C ATOM 1102 CG ASP A 68 8.041 2.041 9.715 1.00 0.00 C ATOM 1103 OD1 ASP A 68 8.458 3.150 10.120 1.00 0.00 O ATOM 1104 OD2 ASP A 68 8.019 1.739 8.491 1.00 0.00 O ATOM 0 H ASP A 68 6.364 -0.846 11.952 1.00 0.00 H new ATOM 0 HA ASP A 68 5.977 2.084 11.723 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.251 1.057 11.618 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.730 -0.001 10.321 1.00 0.00 H new ATOM 1109 N ILE A 69 4.497 -0.128 9.863 1.00 0.00 N ATOM 1110 CA ILE A 69 3.562 -0.363 8.743 1.00 0.00 C ATOM 1111 C ILE A 69 2.175 0.214 9.067 1.00 0.00 C ATOM 1112 O ILE A 69 1.656 0.018 10.171 1.00 0.00 O ATOM 1113 CB ILE A 69 3.388 -1.898 8.406 1.00 0.00 C ATOM 1114 CG1 ILE A 69 4.756 -2.628 8.396 1.00 0.00 C ATOM 1115 CG2 ILE A 69 2.647 -2.090 7.050 1.00 0.00 C ATOM 1116 CD1 ILE A 69 5.757 -2.094 7.393 1.00 0.00 C ATOM 0 H ILE A 69 4.630 -0.940 10.465 1.00 0.00 H new ATOM 0 HA ILE A 69 3.997 0.137 7.878 1.00 0.00 H new ATOM 0 HB ILE A 69 2.777 -2.343 9.191 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.193 -2.564 9.393 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.586 -3.685 8.190 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.540 -3.154 6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.660 -1.630 7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.221 -1.620 6.252 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.681 -2.667 7.461 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.347 -2.184 6.387 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.964 -1.046 7.608 1.00 0.00 H new ATOM 1128 N ASN A 70 1.591 0.911 8.093 1.00 0.00 N ATOM 1129 CA ASN A 70 0.187 1.361 8.135 1.00 0.00 C ATOM 1130 C ASN A 70 -0.486 0.935 6.813 1.00 0.00 C ATOM 1131 O ASN A 70 0.207 0.550 5.857 1.00 0.00 O ATOM 1132 CB ASN A 70 0.111 2.900 8.340 1.00 0.00 C ATOM 1133 CG ASN A 70 -1.292 3.394 8.722 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -2.098 3.748 7.862 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -1.608 3.387 10.015 1.00 0.00 N ATOM 0 H ASN A 70 2.079 1.186 7.240 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.335 0.904 8.976 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.816 3.191 9.119 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.427 3.398 7.423 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.538 3.680 10.314 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.920 3.089 10.707 1.00 0.00 H new ATOM 1142 N ALA A 71 -1.831 0.992 6.763 1.00 0.00 N ATOM 1143 CA ALA A 71 -2.606 0.700 5.536 1.00 0.00 C ATOM 1144 C ALA A 71 -2.310 1.740 4.436 1.00 0.00 C ATOM 1145 O ALA A 71 -2.455 1.457 3.244 1.00 0.00 O ATOM 1146 CB ALA A 71 -4.113 0.635 5.853 1.00 0.00 C ATOM 0 H ALA A 71 -2.410 1.240 7.565 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.298 -0.275 5.158 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.668 0.420 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.297 -0.152 6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.441 1.592 6.260 1.00 0.00 H new ATOM 1152 N THR A 72 -1.844 2.930 4.865 1.00 0.00 N ATOM 1153 CA THR A 72 -1.420 4.016 3.961 1.00 0.00 C ATOM 1154 C THR A 72 0.035 3.814 3.459 1.00 0.00 C ATOM 1155 O THR A 72 0.689 4.761 3.021 1.00 0.00 O ATOM 1156 CB THR A 72 -1.570 5.403 4.672 1.00 0.00 C ATOM 1157 OG1 THR A 72 -0.810 5.428 5.896 1.00 0.00 O ATOM 1158 CG2 THR A 72 -3.044 5.723 4.978 1.00 0.00 C ATOM 0 H THR A 72 -1.751 3.165 5.853 1.00 0.00 H new ATOM 0 HA THR A 72 -2.071 3.993 3.087 1.00 0.00 H new ATOM 0 HB THR A 72 -1.186 6.161 3.990 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.272 4.898 6.579 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.111 6.693 5.471 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.611 5.749 4.048 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.455 4.954 5.632 1.00 0.00 H new ATOM 1166 N SER A 73 0.535 2.571 3.553 1.00 0.00 N ATOM 1167 CA SER A 73 1.771 2.136 2.891 1.00 0.00 C ATOM 1168 C SER A 73 1.406 1.210 1.714 1.00 0.00 C ATOM 1169 O SER A 73 0.441 0.452 1.794 1.00 0.00 O ATOM 1170 CB SER A 73 2.688 1.405 3.902 1.00 0.00 C ATOM 1171 OG SER A 73 2.918 2.199 5.063 1.00 0.00 O ATOM 0 H SER A 73 0.086 1.834 4.097 1.00 0.00 H new ATOM 0 HA SER A 73 2.313 3.002 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.232 0.458 4.191 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.640 1.168 3.427 1.00 0.00 H new ATOM 0 HG SER A 73 3.499 1.711 5.683 1.00 0.00 H new ATOM 1177 N ARG A 74 2.142 1.319 0.603 1.00 0.00 N ATOM 1178 CA ARG A 74 2.057 0.392 -0.533 1.00 0.00 C ATOM 1179 C ARG A 74 3.323 -0.465 -0.531 1.00 0.00 C ATOM 1180 O ARG A 74 4.430 0.053 -0.378 1.00 0.00 O ATOM 1181 CB ARG A 74 1.917 1.177 -1.868 1.00 0.00 C ATOM 1182 CG ARG A 74 0.625 2.010 -1.962 1.00 0.00 C ATOM 1183 CD ARG A 74 0.673 3.067 -3.070 1.00 0.00 C ATOM 1184 NE ARG A 74 0.812 2.523 -4.425 1.00 0.00 N ATOM 1185 CZ ARG A 74 1.229 3.226 -5.490 1.00 0.00 C ATOM 1186 NH1 ARG A 74 1.641 4.486 -5.369 1.00 0.00 N ATOM 1187 NH2 ARG A 74 1.244 2.666 -6.678 1.00 0.00 N ATOM 0 H ARG A 74 2.824 2.065 0.465 1.00 0.00 H new ATOM 0 HA ARG A 74 1.177 -0.244 -0.440 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.775 1.839 -1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.946 0.472 -2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.219 1.343 -2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.446 2.502 -1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.237 3.665 -3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.507 3.741 -2.876 1.00 0.00 H new ATOM 0 HE ARG A 74 0.575 1.541 -4.568 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.644 4.936 -4.454 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.954 5.002 -6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.939 1.699 -6.790 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.560 3.198 -7.489 1.00 0.00 H new ATOM 1201 N ILE A 75 3.159 -1.772 -0.689 1.00 0.00 N ATOM 1202 CA ILE A 75 4.260 -2.727 -0.566 1.00 0.00 C ATOM 1203 C ILE A 75 4.866 -3.024 -1.959 1.00 0.00 C ATOM 1204 O ILE A 75 4.397 -3.901 -2.682 1.00 0.00 O ATOM 1205 CB ILE A 75 3.762 -4.040 0.137 1.00 0.00 C ATOM 1206 CG1 ILE A 75 3.011 -3.724 1.478 1.00 0.00 C ATOM 1207 CG2 ILE A 75 4.932 -5.006 0.376 1.00 0.00 C ATOM 1208 CD1 ILE A 75 3.828 -2.982 2.524 1.00 0.00 C ATOM 0 H ILE A 75 2.260 -2.203 -0.906 1.00 0.00 H new ATOM 0 HA ILE A 75 5.044 -2.293 0.054 1.00 0.00 H new ATOM 0 HB ILE A 75 3.050 -4.525 -0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.125 -3.133 1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.665 -4.663 1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.565 -5.909 0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.387 -5.269 -0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.676 -4.526 1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.217 -2.813 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.701 -3.577 2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.152 -2.023 2.119 1.00 0.00 H new ATOM 1220 N LYS A 76 5.897 -2.250 -2.338 1.00 0.00 N ATOM 1221 CA LYS A 76 6.587 -2.422 -3.627 1.00 0.00 C ATOM 1222 C LYS A 76 7.706 -3.468 -3.477 1.00 0.00 C ATOM 1223 O LYS A 76 8.752 -3.186 -2.900 1.00 0.00 O ATOM 1224 CB LYS A 76 7.158 -1.075 -4.144 1.00 0.00 C ATOM 1225 CG LYS A 76 7.831 -1.184 -5.532 1.00 0.00 C ATOM 1226 CD LYS A 76 8.369 0.165 -6.054 1.00 0.00 C ATOM 1227 CE LYS A 76 9.450 0.795 -5.153 1.00 0.00 C ATOM 1228 NZ LYS A 76 10.655 -0.053 -5.028 1.00 0.00 N ATOM 0 H LYS A 76 6.273 -1.494 -1.765 1.00 0.00 H new ATOM 0 HA LYS A 76 5.865 -2.774 -4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.352 -0.343 -4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.885 -0.697 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.653 -1.898 -5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.111 -1.582 -6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.781 0.019 -7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.538 0.864 -6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.735 1.766 -5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.032 0.974 -4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.355 0.425 -4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.395 -0.964 -4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.063 -0.217 -5.970 1.00 0.00 H new ATOM 1242 N VAL A 77 7.484 -4.658 -4.023 1.00 0.00 N ATOM 1243 CA VAL A 77 8.350 -5.828 -3.785 1.00 0.00 C ATOM 1244 C VAL A 77 9.632 -5.757 -4.636 1.00 0.00 C ATOM 1245 O VAL A 77 9.573 -5.498 -5.836 1.00 0.00 O ATOM 1246 CB VAL A 77 7.565 -7.150 -4.071 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.448 -8.405 -3.871 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.292 -7.210 -3.199 1.00 0.00 C ATOM 0 H VAL A 77 6.699 -4.849 -4.646 1.00 0.00 H new ATOM 0 HA VAL A 77 8.650 -5.821 -2.737 1.00 0.00 H new ATOM 0 HB VAL A 77 7.268 -7.145 -5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.862 -9.300 -4.080 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.300 -8.362 -4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.805 -8.438 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.753 -8.134 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.571 -7.180 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.653 -6.358 -3.429 1.00 0.00 H new ATOM 1258 N SER A 78 10.786 -5.957 -3.976 1.00 0.00 N ATOM 1259 CA SER A 78 12.125 -5.809 -4.588 1.00 0.00 C ATOM 1260 C SER A 78 12.648 -7.115 -5.219 1.00 0.00 C ATOM 1261 O SER A 78 13.541 -7.076 -6.072 1.00 0.00 O ATOM 1262 CB SER A 78 13.099 -5.296 -3.506 1.00 0.00 C ATOM 1263 OG SER A 78 12.608 -4.096 -2.920 1.00 0.00 O ATOM 0 H SER A 78 10.819 -6.229 -2.993 1.00 0.00 H new ATOM 0 HA SER A 78 12.049 -5.095 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.229 -6.056 -2.736 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.080 -5.117 -3.947 1.00 0.00 H new ATOM 0 HG SER A 78 13.316 -3.419 -2.920 1.00 0.00 H new ATOM 1269 N THR A 79 12.083 -8.259 -4.810 1.00 0.00 N ATOM 1270 CA THR A 79 12.586 -9.598 -5.202 1.00 0.00 C ATOM 1271 C THR A 79 11.423 -10.524 -5.616 1.00 0.00 C ATOM 1272 O THR A 79 10.269 -10.090 -5.692 1.00 0.00 O ATOM 1273 CB THR A 79 13.398 -10.247 -4.029 1.00 0.00 C ATOM 1274 OG1 THR A 79 12.585 -10.258 -2.866 1.00 0.00 O ATOM 1275 CG2 THR A 79 14.716 -9.512 -3.723 1.00 0.00 C ATOM 0 H THR A 79 11.266 -8.291 -4.200 1.00 0.00 H new ATOM 0 HA THR A 79 13.247 -9.470 -6.059 1.00 0.00 H new ATOM 0 HB THR A 79 13.667 -11.257 -4.338 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.680 -9.962 -3.097 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.229 -10.012 -2.901 1.00 0.00 H new ATOM 0 HG22 THR A 79 15.352 -9.522 -4.608 1.00 0.00 H new ATOM 0 HG23 THR A 79 14.501 -8.481 -3.443 1.00 0.00 H new ATOM 1283 N GLY A 80 11.754 -11.789 -5.936 1.00 0.00 N ATOM 1284 CA GLY A 80 10.757 -12.819 -6.229 1.00 0.00 C ATOM 1285 C GLY A 80 9.984 -12.584 -7.530 1.00 0.00 C ATOM 1286 O GLY A 80 10.516 -11.957 -8.457 1.00 0.00 O ATOM 0 H GLY A 80 12.717 -12.118 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.255 -13.787 -6.284 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.049 -12.871 -5.402 1.00 0.00 H new ATOM 1290 N PRO A 81 8.705 -13.074 -7.628 1.00 0.00 N ATOM 1291 CA PRO A 81 7.885 -12.966 -8.863 1.00 0.00 C ATOM 1292 C PRO A 81 7.233 -11.579 -9.045 1.00 0.00 C ATOM 1293 O PRO A 81 6.719 -11.271 -10.126 1.00 0.00 O ATOM 1294 CB PRO A 81 6.820 -14.066 -8.650 1.00 0.00 C ATOM 1295 CG PRO A 81 6.598 -14.064 -7.165 1.00 0.00 C ATOM 1296 CD PRO A 81 7.953 -13.774 -6.540 1.00 0.00 C ATOM 0 HA PRO A 81 8.480 -13.088 -9.768 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.901 -13.844 -9.193 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.171 -15.036 -9.001 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.867 -13.307 -6.881 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.210 -15.025 -6.827 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.859 -13.148 -5.652 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.456 -14.691 -6.232 1.00 0.00 H new ATOM 1304 N LEU A 82 7.251 -10.756 -7.982 1.00 0.00 N ATOM 1305 CA LEU A 82 6.612 -9.424 -7.969 1.00 0.00 C ATOM 1306 C LEU A 82 7.677 -8.307 -7.897 1.00 0.00 C ATOM 1307 O LEU A 82 7.377 -7.180 -7.483 1.00 0.00 O ATOM 1308 CB LEU A 82 5.625 -9.331 -6.768 1.00 0.00 C ATOM 1309 CG LEU A 82 4.524 -10.439 -6.685 1.00 0.00 C ATOM 1310 CD1 LEU A 82 3.629 -10.234 -5.452 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.684 -10.516 -7.983 1.00 0.00 C ATOM 0 H LEU A 82 7.710 -10.995 -7.103 1.00 0.00 H new ATOM 0 HA LEU A 82 6.053 -9.288 -8.895 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.206 -9.357 -5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.131 -8.360 -6.806 1.00 0.00 H new ATOM 0 HG LEU A 82 5.033 -11.397 -6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.872 -11.017 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.238 -10.278 -4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.142 -9.261 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.931 -11.298 -7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.192 -9.559 -8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.336 -10.746 -8.825 1.00 0.00 H new ATOM 1323 N ALA A 83 8.911 -8.625 -8.338 1.00 0.00 N ATOM 1324 CA ALA A 83 10.043 -7.673 -8.347 1.00 0.00 C ATOM 1325 C ALA A 83 9.778 -6.519 -9.335 1.00 0.00 C ATOM 1326 O ALA A 83 9.802 -6.719 -10.559 1.00 0.00 O ATOM 1327 CB ALA A 83 11.349 -8.408 -8.690 1.00 0.00 C ATOM 0 H ALA A 83 9.152 -9.548 -8.698 1.00 0.00 H new ATOM 0 HA ALA A 83 10.145 -7.240 -7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.176 -7.698 -8.694 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.538 -9.181 -7.945 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.260 -8.867 -9.675 1.00 0.00 H new ATOM 1333 N GLY A 84 9.479 -5.330 -8.784 1.00 0.00 N ATOM 1334 CA GLY A 84 9.142 -4.134 -9.562 1.00 0.00 C ATOM 1335 C GLY A 84 7.705 -3.677 -9.321 1.00 0.00 C ATOM 1336 O GLY A 84 7.418 -2.474 -9.380 1.00 0.00 O ATOM 0 H GLY A 84 9.465 -5.175 -7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.827 -3.327 -9.301 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.283 -4.341 -10.623 1.00 0.00 H new ATOM 1340 N ARG A 85 6.804 -4.636 -9.018 1.00 0.00 N ATOM 1341 CA ARG A 85 5.365 -4.356 -8.812 1.00 0.00 C ATOM 1342 C ARG A 85 5.156 -3.598 -7.493 1.00 0.00 C ATOM 1343 O ARG A 85 5.797 -3.906 -6.484 1.00 0.00 O ATOM 1344 CB ARG A 85 4.516 -5.672 -8.818 1.00 0.00 C ATOM 1345 CG ARG A 85 4.078 -6.162 -10.217 1.00 0.00 C ATOM 1346 CD ARG A 85 3.314 -7.499 -10.145 1.00 0.00 C ATOM 1347 NE ARG A 85 2.746 -7.895 -11.454 1.00 0.00 N ATOM 1348 CZ ARG A 85 2.835 -9.123 -12.009 1.00 0.00 C ATOM 1349 NH1 ARG A 85 3.609 -10.070 -11.476 1.00 0.00 N ATOM 1350 NH2 ARG A 85 2.157 -9.376 -13.128 1.00 0.00 N ATOM 0 H ARG A 85 7.050 -5.620 -8.910 1.00 0.00 H new ATOM 0 HA ARG A 85 5.025 -3.736 -9.641 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.094 -6.461 -8.338 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.625 -5.514 -8.210 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.446 -5.407 -10.684 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.956 -6.280 -10.852 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.987 -8.281 -9.793 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.510 -7.416 -9.413 1.00 0.00 H new ATOM 0 HE ARG A 85 2.245 -7.180 -11.981 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.148 -9.873 -10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.661 -10.991 -11.912 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.582 -8.648 -13.552 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.213 -10.298 -13.561 1.00 0.00 H new ATOM 1364 N VAL A 86 4.256 -2.612 -7.525 1.00 0.00 N ATOM 1365 CA VAL A 86 3.875 -1.817 -6.355 1.00 0.00 C ATOM 1366 C VAL A 86 2.480 -2.274 -5.871 1.00 0.00 C ATOM 1367 O VAL A 86 1.427 -1.836 -6.362 1.00 0.00 O ATOM 1368 CB VAL A 86 3.967 -0.263 -6.648 1.00 0.00 C ATOM 1369 CG1 VAL A 86 3.131 0.171 -7.887 1.00 0.00 C ATOM 1370 CG2 VAL A 86 3.627 0.563 -5.375 1.00 0.00 C ATOM 0 H VAL A 86 3.765 -2.340 -8.376 1.00 0.00 H new ATOM 0 HA VAL A 86 4.582 -1.990 -5.544 1.00 0.00 H new ATOM 0 HB VAL A 86 5.002 -0.046 -6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.234 1.246 -8.037 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.491 -0.355 -8.771 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.082 -0.074 -7.722 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.697 1.627 -5.602 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.614 0.328 -5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.331 0.314 -4.581 1.00 0.00 H new ATOM 1380 N LEU A 87 2.520 -3.252 -4.958 1.00 0.00 N ATOM 1381 CA LEU A 87 1.332 -3.837 -4.326 1.00 0.00 C ATOM 1382 C LEU A 87 0.718 -2.800 -3.362 1.00 0.00 C ATOM 1383 O LEU A 87 1.421 -1.963 -2.808 1.00 0.00 O ATOM 1384 CB LEU A 87 1.688 -5.166 -3.569 1.00 0.00 C ATOM 1385 CG LEU A 87 2.201 -6.392 -4.408 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.155 -6.857 -5.420 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.551 -6.125 -5.099 1.00 0.00 C ATOM 0 H LEU A 87 3.394 -3.666 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 87 0.604 -4.093 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.450 -4.930 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.800 -5.485 -3.024 1.00 0.00 H new ATOM 0 HG LEU A 87 2.368 -7.197 -3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.545 -7.706 -5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.248 -7.155 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.926 -6.042 -6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.852 -7.008 -5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.451 -5.278 -5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.307 -5.900 -4.346 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.598 -2.852 -3.196 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.372 -1.887 -2.382 1.00 0.00 C ATOM 1401 C ASN A 88 -2.118 -2.666 -1.302 1.00 0.00 C ATOM 1402 O ASN A 88 -2.705 -3.707 -1.611 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.385 -1.120 -3.276 1.00 0.00 C ATOM 1404 CG ASN A 88 -1.728 -0.349 -4.426 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -1.492 0.853 -4.337 1.00 0.00 O ATOM 1406 ND2 ASN A 88 -1.377 -1.057 -5.493 1.00 0.00 N ATOM 0 H ASN A 88 -1.179 -3.573 -3.625 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.699 -1.160 -1.928 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.102 -1.829 -3.689 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.948 -0.422 -2.656 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.896 -0.604 -6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.588 -2.054 -5.535 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.144 -2.143 -0.061 1.00 0.00 N ATOM 1414 CA ILE A 89 -2.713 -2.866 1.089 1.00 0.00 C ATOM 1415 C ILE A 89 -4.244 -2.758 1.024 1.00 0.00 C ATOM 1416 O ILE A 89 -4.825 -1.748 1.434 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.161 -2.330 2.474 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -0.608 -2.492 2.529 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -2.835 -3.039 3.687 1.00 0.00 C ATOM 1420 CD1 ILE A 89 0.052 -1.995 3.812 1.00 0.00 C ATOM 0 H ILE A 89 -1.776 -1.220 0.169 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.409 -3.911 1.030 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.412 -1.272 2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.364 -3.546 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.173 -1.957 1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.426 -2.640 4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.910 -2.863 3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.641 -4.110 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.129 -2.152 3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.153 -0.932 3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.347 -2.546 4.664 1.00 0.00 H new ATOM 1432 N ILE A 90 -4.880 -3.791 0.433 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.347 -3.865 0.276 1.00 0.00 C ATOM 1434 C ILE A 90 -7.012 -4.345 1.593 1.00 0.00 C ATOM 1435 O ILE A 90 -7.651 -5.404 1.665 1.00 0.00 O ATOM 1436 CB ILE A 90 -6.764 -4.771 -0.958 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.135 -6.205 -0.880 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -6.379 -4.078 -2.290 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -6.764 -7.226 -1.812 1.00 0.00 C ATOM 0 H ILE A 90 -4.389 -4.599 0.050 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.712 -2.861 0.061 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.846 -4.894 -0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.071 -6.133 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.219 -6.568 0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.671 -4.711 -3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.893 -3.120 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.302 -3.915 -2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.265 -8.187 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.822 -7.333 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.657 -6.891 -2.844 1.00 0.00 H new ATOM 1451 N GLY A 91 -6.856 -3.518 2.634 1.00 0.00 N ATOM 1452 CA GLY A 91 -7.324 -3.822 3.978 1.00 0.00 C ATOM 1453 C GLY A 91 -6.545 -3.015 5.000 1.00 0.00 C ATOM 1454 O GLY A 91 -6.557 -1.778 4.954 1.00 0.00 O ATOM 0 H GLY A 91 -6.395 -2.611 2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.387 -3.597 4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.207 -4.887 4.179 1.00 0.00 H new ATOM 1458 N GLN A 92 -5.830 -3.714 5.891 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.046 -3.097 6.969 1.00 0.00 C ATOM 1460 C GLN A 92 -4.030 -4.123 7.517 1.00 0.00 C ATOM 1461 O GLN A 92 -4.372 -5.306 7.624 1.00 0.00 O ATOM 1462 CB GLN A 92 -5.996 -2.574 8.090 1.00 0.00 C ATOM 1463 CG GLN A 92 -6.982 -3.622 8.649 1.00 0.00 C ATOM 1464 CD GLN A 92 -7.976 -3.042 9.657 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -7.724 -3.030 10.862 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -9.103 -2.546 9.165 1.00 0.00 N ATOM 0 H GLN A 92 -5.779 -4.733 5.884 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.492 -2.242 6.581 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.389 -2.193 8.912 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.567 -1.732 7.698 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.533 -4.069 7.822 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.418 -4.423 9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.277 -2.574 8.160 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.796 -2.137 9.791 1.00 0.00 H new ATOM 1475 N PRO A 93 -2.776 -3.689 7.886 1.00 0.00 N ATOM 1476 CA PRO A 93 -1.713 -4.606 8.370 1.00 0.00 C ATOM 1477 C PRO A 93 -2.161 -5.332 9.656 1.00 0.00 C ATOM 1478 O PRO A 93 -2.420 -4.687 10.681 1.00 0.00 O ATOM 1479 CB PRO A 93 -0.503 -3.661 8.618 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.110 -2.313 8.816 1.00 0.00 C ATOM 1481 CD PRO A 93 -2.308 -2.277 7.893 1.00 0.00 C ATOM 0 HA PRO A 93 -1.472 -5.403 7.666 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.068 -3.970 9.493 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.183 -3.666 7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.408 -2.164 9.854 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.401 -1.522 8.572 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.079 -1.599 8.260 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.036 -1.938 6.893 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.285 -6.661 9.562 1.00 0.00 N ATOM 1490 CA LEU A 94 -2.880 -7.504 10.611 1.00 0.00 C ATOM 1491 C LEU A 94 -1.763 -8.091 11.507 1.00 0.00 C ATOM 1492 O LEU A 94 -1.024 -8.963 11.065 1.00 0.00 O ATOM 1493 CB LEU A 94 -3.753 -8.628 9.928 1.00 0.00 C ATOM 1494 CG LEU A 94 -4.708 -9.493 10.828 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -3.967 -10.602 11.607 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -5.542 -8.597 11.768 1.00 0.00 C ATOM 0 H LEU A 94 -1.972 -7.189 8.747 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.532 -6.914 11.256 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.363 -8.152 9.161 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.073 -9.310 9.417 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.391 -10.009 10.153 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.682 -11.163 12.209 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.477 -11.275 10.904 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.219 -10.151 12.259 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.195 -9.220 12.380 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.875 -8.027 12.414 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.147 -7.911 11.175 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.612 -7.616 12.783 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.710 -8.260 13.768 1.00 0.00 C ATOM 1510 C PRO A 95 -1.344 -9.565 14.295 1.00 0.00 C ATOM 1511 O PRO A 95 -2.551 -9.591 14.596 1.00 0.00 O ATOM 1512 CB PRO A 95 -0.590 -7.187 14.878 1.00 0.00 C ATOM 1513 CG PRO A 95 -1.891 -6.438 14.833 1.00 0.00 C ATOM 1514 CD PRO A 95 -2.294 -6.420 13.367 1.00 0.00 C ATOM 0 HA PRO A 95 0.259 -8.550 13.362 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.431 -7.645 15.854 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.255 -6.523 14.696 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.649 -6.929 15.443 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.776 -5.426 15.222 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.376 -6.483 13.251 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.974 -5.500 12.877 1.00 0.00 H new ATOM 1522 N ASP A 96 -0.552 -10.652 14.394 1.00 0.00 N ATOM 1523 CA ASP A 96 -1.099 -11.963 14.816 1.00 0.00 C ATOM 1524 C ASP A 96 -1.395 -11.960 16.344 1.00 0.00 C ATOM 1525 O ASP A 96 -1.043 -11.007 17.058 1.00 0.00 O ATOM 1526 CB ASP A 96 -0.152 -13.131 14.425 1.00 0.00 C ATOM 1527 CG ASP A 96 1.032 -13.288 15.379 1.00 0.00 C ATOM 1528 OD1 ASP A 96 1.872 -12.385 15.420 1.00 0.00 O ATOM 1529 OD2 ASP A 96 1.099 -14.297 16.109 1.00 0.00 O ATOM 0 H ASP A 96 0.448 -10.653 14.193 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.038 -12.124 14.286 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.721 -14.061 14.405 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.222 -12.965 13.415 1.00 0.00 H new ATOM 1534 N ALA A 97 -2.011 -13.050 16.833 1.00 0.00 N ATOM 1535 CA ALA A 97 -2.490 -13.165 18.231 1.00 0.00 C ATOM 1536 C ALA A 97 -1.345 -13.280 19.252 1.00 0.00 C ATOM 1537 O ALA A 97 -1.535 -12.957 20.432 1.00 0.00 O ATOM 1538 CB ALA A 97 -3.459 -14.350 18.358 1.00 0.00 C ATOM 0 H ALA A 97 -2.194 -13.882 16.272 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.015 -12.240 18.468 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.806 -14.427 19.388 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.313 -14.194 17.698 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.947 -15.270 18.078 1.00 0.00 H new ATOM 1544 N ALA A 98 -0.170 -13.742 18.809 1.00 0.00 N ATOM 1545 CA ALA A 98 1.031 -13.821 19.673 1.00 0.00 C ATOM 1546 C ALA A 98 1.909 -12.559 19.528 1.00 0.00 C ATOM 1547 O ALA A 98 2.802 -12.336 20.353 1.00 0.00 O ATOM 1548 CB ALA A 98 1.845 -15.083 19.339 1.00 0.00 C ATOM 0 H ALA A 98 -0.017 -14.070 17.855 1.00 0.00 H new ATOM 0 HA ALA A 98 0.698 -13.879 20.709 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.725 -15.129 19.981 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.229 -15.967 19.503 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.159 -15.048 18.296 1.00 0.00 H new ATOM 1554 N ARG A 99 1.632 -11.739 18.476 1.00 0.00 N ATOM 1555 CA ARG A 99 2.417 -10.517 18.135 1.00 0.00 C ATOM 1556 C ARG A 99 3.886 -10.876 17.788 1.00 0.00 C ATOM 1557 O ARG A 99 4.810 -10.069 17.975 1.00 0.00 O ATOM 1558 CB ARG A 99 2.332 -9.423 19.250 1.00 0.00 C ATOM 1559 CG ARG A 99 0.958 -8.703 19.390 1.00 0.00 C ATOM 1560 CD ARG A 99 -0.165 -9.569 19.990 1.00 0.00 C ATOM 1561 NE ARG A 99 -1.368 -8.771 20.320 1.00 0.00 N ATOM 1562 CZ ARG A 99 -2.428 -9.221 21.008 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -2.530 -10.496 21.355 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -3.399 -8.389 21.341 1.00 0.00 N ATOM 0 H ARG A 99 0.854 -11.908 17.838 1.00 0.00 H new ATOM 0 HA ARG A 99 1.963 -10.082 17.245 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.577 -9.886 20.206 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.097 -8.671 19.054 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.089 -7.819 20.014 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.644 -8.355 18.406 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.434 -10.354 19.283 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.200 -10.063 20.891 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.393 -7.803 19.999 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.794 -11.155 21.099 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.344 -10.819 21.878 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.342 -7.406 21.075 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.206 -8.730 21.864 1.00 0.00 H new ATOM 1578 N THR A 100 4.070 -12.085 17.233 1.00 0.00 N ATOM 1579 CA THR A 100 5.374 -12.585 16.773 1.00 0.00 C ATOM 1580 C THR A 100 5.661 -12.128 15.324 1.00 0.00 C ATOM 1581 O THR A 100 6.811 -12.153 14.871 1.00 0.00 O ATOM 1582 CB THR A 100 5.438 -14.151 16.875 1.00 0.00 C ATOM 1583 OG1 THR A 100 6.740 -14.625 16.503 1.00 0.00 O ATOM 1584 CG2 THR A 100 4.385 -14.856 16.005 1.00 0.00 C ATOM 0 H THR A 100 3.309 -12.749 17.090 1.00 0.00 H new ATOM 0 HA THR A 100 6.142 -12.165 17.423 1.00 0.00 H new ATOM 0 HB THR A 100 5.225 -14.394 17.916 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.178 -13.962 15.929 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.482 -15.936 16.120 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.388 -14.546 16.318 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.538 -14.587 14.960 1.00 0.00 H new ATOM 1592 N ARG A 101 4.607 -11.679 14.624 1.00 0.00 N ATOM 1593 CA ARG A 101 4.673 -11.322 13.202 1.00 0.00 C ATOM 1594 C ARG A 101 3.617 -10.250 12.869 1.00 0.00 C ATOM 1595 O ARG A 101 2.675 -9.993 13.648 1.00 0.00 O ATOM 1596 CB ARG A 101 4.439 -12.578 12.305 1.00 0.00 C ATOM 1597 CG ARG A 101 2.979 -13.088 12.326 1.00 0.00 C ATOM 1598 CD ARG A 101 2.734 -14.326 11.474 1.00 0.00 C ATOM 1599 NE ARG A 101 3.464 -15.507 11.981 1.00 0.00 N ATOM 1600 CZ ARG A 101 3.006 -16.372 12.912 1.00 0.00 C ATOM 1601 NH1 ARG A 101 1.809 -16.204 13.485 1.00 0.00 N ATOM 1602 NH2 ARG A 101 3.769 -17.394 13.281 1.00 0.00 N ATOM 0 H ARG A 101 3.681 -11.554 15.033 1.00 0.00 H new ATOM 0 HA ARG A 101 5.668 -10.924 13.001 1.00 0.00 H new ATOM 0 HB2 ARG A 101 4.717 -12.339 11.279 1.00 0.00 H new ATOM 0 HB3 ARG A 101 5.100 -13.379 12.636 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.699 -13.309 13.356 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.323 -12.289 11.982 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.666 -14.543 11.451 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.040 -14.125 10.447 1.00 0.00 H new ATOM 0 HE ARG A 101 4.392 -15.684 11.595 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.224 -15.411 13.221 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.481 -16.869 14.186 1.00 0.00 H new ATOM 0 HH21 ARG A 101 4.691 -17.520 12.862 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.434 -18.053 13.983 1.00 0.00 H new ATOM 1616 N LEU A 102 3.784 -9.659 11.683 1.00 0.00 N ATOM 1617 CA LEU A 102 2.820 -8.748 11.070 1.00 0.00 C ATOM 1618 C LEU A 102 2.427 -9.358 9.702 1.00 0.00 C ATOM 1619 O LEU A 102 3.242 -9.392 8.773 1.00 0.00 O ATOM 1620 CB LEU A 102 3.451 -7.311 10.905 1.00 0.00 C ATOM 1621 CG LEU A 102 2.586 -6.088 11.355 1.00 0.00 C ATOM 1622 CD1 LEU A 102 1.179 -6.134 10.750 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.543 -5.966 12.890 1.00 0.00 C ATOM 0 H LEU A 102 4.615 -9.806 11.110 1.00 0.00 H new ATOM 0 HA LEU A 102 1.934 -8.631 11.695 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.385 -7.287 11.466 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.707 -7.174 9.854 1.00 0.00 H new ATOM 0 HG LEU A 102 3.068 -5.189 10.970 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.610 -5.268 11.087 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.250 -6.121 9.662 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.675 -7.046 11.070 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.934 -5.106 13.170 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.110 -6.871 13.315 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.555 -5.834 13.273 1.00 0.00 H new ATOM 1635 N GLU A 103 1.197 -9.879 9.610 1.00 0.00 N ATOM 1636 CA GLU A 103 0.643 -10.433 8.359 1.00 0.00 C ATOM 1637 C GLU A 103 -0.013 -9.305 7.546 1.00 0.00 C ATOM 1638 O GLU A 103 -1.114 -8.846 7.869 1.00 0.00 O ATOM 1639 CB GLU A 103 -0.380 -11.571 8.643 1.00 0.00 C ATOM 1640 CG GLU A 103 -0.937 -12.250 7.370 1.00 0.00 C ATOM 1641 CD GLU A 103 -1.921 -13.400 7.658 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -3.085 -13.124 8.028 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -1.543 -14.588 7.512 1.00 0.00 O ATOM 0 H GLU A 103 0.554 -9.930 10.400 1.00 0.00 H new ATOM 0 HA GLU A 103 1.459 -10.868 7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.097 -12.327 9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.211 -11.163 9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.439 -11.499 6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.105 -12.635 6.781 1.00 0.00 H new ATOM 1650 N ILE A 104 0.706 -8.836 6.527 1.00 0.00 N ATOM 1651 CA ILE A 104 0.226 -7.816 5.584 1.00 0.00 C ATOM 1652 C ILE A 104 -0.607 -8.510 4.481 1.00 0.00 C ATOM 1653 O ILE A 104 -0.309 -9.648 4.100 1.00 0.00 O ATOM 1654 CB ILE A 104 1.437 -7.038 4.911 1.00 0.00 C ATOM 1655 CG1 ILE A 104 2.553 -6.676 5.955 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.948 -5.772 4.157 1.00 0.00 C ATOM 1657 CD1 ILE A 104 2.098 -5.810 7.111 1.00 0.00 C ATOM 0 H ILE A 104 1.653 -9.156 6.327 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.382 -7.095 6.131 1.00 0.00 H new ATOM 0 HB ILE A 104 1.882 -7.713 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.967 -7.601 6.356 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.362 -6.164 5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.801 -5.263 3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.247 -6.063 3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.452 -5.100 4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.941 -5.617 7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.713 -4.865 6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.312 -6.324 7.664 1.00 0.00 H new ATOM 1669 N LEU A 105 -1.647 -7.833 3.988 1.00 0.00 N ATOM 1670 CA LEU A 105 -2.403 -8.267 2.797 1.00 0.00 C ATOM 1671 C LEU A 105 -2.356 -7.131 1.769 1.00 0.00 C ATOM 1672 O LEU A 105 -2.403 -5.951 2.132 1.00 0.00 O ATOM 1673 CB LEU A 105 -3.877 -8.678 3.124 1.00 0.00 C ATOM 1674 CG LEU A 105 -4.859 -7.554 3.612 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.324 -8.041 3.589 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.482 -7.021 5.014 1.00 0.00 C ATOM 0 H LEU A 105 -1.994 -6.967 4.400 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.938 -9.167 2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.305 -9.131 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.847 -9.452 3.891 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.763 -6.725 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.979 -7.240 3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.598 -8.323 2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.431 -8.904 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.188 -6.246 5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.516 -7.838 5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.476 -6.603 4.986 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.262 -7.502 0.499 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.010 -6.566 -0.609 1.00 0.00 C ATOM 1690 C CYS A 106 -2.626 -7.089 -1.907 1.00 0.00 C ATOM 1691 O CYS A 106 -3.229 -8.148 -1.917 1.00 0.00 O ATOM 1692 CB CYS A 106 -0.488 -6.345 -0.783 1.00 0.00 C ATOM 1693 SG CYS A 106 0.324 -5.604 0.650 1.00 0.00 S ATOM 0 H CYS A 106 -2.359 -8.471 0.197 1.00 0.00 H new ATOM 0 HA CYS A 106 -2.478 -5.611 -0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.016 -7.304 -0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -0.322 -5.706 -1.650 1.00 0.00 H new ATOM 0 HG CYS A 106 -0.550 -5.412 1.593 1.00 0.00 H new ATOM 1699 N ARG A 107 -2.539 -6.292 -2.979 1.00 0.00 N ATOM 1700 CA ARG A 107 -2.842 -6.741 -4.350 1.00 0.00 C ATOM 1701 C ARG A 107 -2.207 -5.771 -5.358 1.00 0.00 C ATOM 1702 O ARG A 107 -1.954 -4.609 -5.032 1.00 0.00 O ATOM 1703 CB ARG A 107 -4.379 -6.841 -4.593 1.00 0.00 C ATOM 1704 CG ARG A 107 -4.767 -7.532 -5.918 1.00 0.00 C ATOM 1705 CD ARG A 107 -6.273 -7.517 -6.191 1.00 0.00 C ATOM 1706 NE ARG A 107 -7.062 -8.229 -5.178 1.00 0.00 N ATOM 1707 CZ ARG A 107 -8.405 -8.251 -5.146 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -9.124 -7.674 -6.110 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -9.022 -8.860 -4.151 1.00 0.00 N ATOM 0 H ARG A 107 -2.256 -5.314 -2.923 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.423 -7.738 -4.485 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.831 -7.387 -3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.803 -5.837 -4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.251 -7.039 -6.742 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.419 -8.565 -5.896 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.614 -6.483 -6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.461 -7.965 -7.167 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.559 -8.739 -4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.655 -7.207 -6.886 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.143 -7.700 -6.071 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.480 -9.310 -3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.041 -8.881 -4.120 1.00 0.00 H new ATOM 1723 N GLU A 108 -1.943 -6.275 -6.573 1.00 0.00 N ATOM 1724 CA GLU A 108 -1.381 -5.494 -7.689 1.00 0.00 C ATOM 1725 C GLU A 108 -2.247 -4.264 -8.017 1.00 0.00 C ATOM 1726 O GLU A 108 -3.482 -4.314 -7.919 1.00 0.00 O ATOM 1727 CB GLU A 108 -1.261 -6.404 -8.937 1.00 0.00 C ATOM 1728 CG GLU A 108 -0.326 -7.619 -8.750 1.00 0.00 C ATOM 1729 CD GLU A 108 -0.352 -8.596 -9.935 1.00 0.00 C ATOM 1730 OE1 GLU A 108 -0.221 -8.147 -11.090 1.00 0.00 O ATOM 1731 OE2 GLU A 108 -0.521 -9.809 -9.721 1.00 0.00 O ATOM 0 H GLU A 108 -2.116 -7.251 -6.813 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.397 -5.132 -7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.254 -6.763 -9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.899 -5.807 -9.774 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.694 -7.264 -8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.611 -8.152 -7.843 1.00 0.00 H new ATOM 1738 N GLY A 109 -1.576 -3.168 -8.413 1.00 0.00 N ATOM 1739 CA GLY A 109 -2.252 -1.962 -8.896 1.00 0.00 C ATOM 1740 C GLY A 109 -2.474 -1.996 -10.407 1.00 0.00 C ATOM 1741 O GLY A 109 -2.407 -0.957 -11.084 1.00 0.00 O ATOM 0 H GLY A 109 -0.558 -3.098 -8.406 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.212 -1.858 -8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.659 -1.085 -8.636 1.00 0.00 H new ATOM 1745 N ALA A 110 -2.755 -3.210 -10.921 1.00 0.00 N ATOM 1746 CA ALA A 110 -2.953 -3.494 -12.346 1.00 0.00 C ATOM 1747 C ALA A 110 -3.553 -4.907 -12.502 1.00 0.00 C ATOM 1748 O ALA A 110 -2.826 -5.907 -12.528 1.00 0.00 O ATOM 1749 CB ALA A 110 -1.629 -3.353 -13.122 1.00 0.00 C ATOM 0 H ALA A 110 -2.852 -4.039 -10.335 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.649 -2.769 -12.768 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.801 -3.568 -14.177 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.252 -2.336 -13.016 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -0.897 -4.055 -12.723 1.00 0.00 H new ATOM 1755 N GLU A 111 -4.893 -4.973 -12.539 1.00 0.00 N ATOM 1756 CA GLU A 111 -5.658 -6.228 -12.714 1.00 0.00 C ATOM 1757 C GLU A 111 -6.227 -6.336 -14.145 1.00 0.00 C ATOM 1758 O GLU A 111 -6.901 -7.313 -14.481 1.00 0.00 O ATOM 1759 CB GLU A 111 -6.813 -6.273 -11.680 1.00 0.00 C ATOM 1760 CG GLU A 111 -6.356 -6.289 -10.208 1.00 0.00 C ATOM 1761 CD GLU A 111 -7.531 -6.320 -9.217 1.00 0.00 C ATOM 1762 OE1 GLU A 111 -8.127 -7.400 -9.024 1.00 0.00 O ATOM 1763 OE2 GLU A 111 -7.865 -5.273 -8.625 1.00 0.00 O ATOM 0 H GLU A 111 -5.487 -4.149 -12.448 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.986 -7.071 -12.554 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.458 -5.408 -11.837 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.418 -7.160 -11.869 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.722 -7.159 -10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.746 -5.407 -10.013 1.00 0.00 H new ATOM 1770 N LYS A 112 -5.951 -5.322 -14.976 1.00 0.00 N ATOM 1771 CA LYS A 112 -6.496 -5.202 -16.347 1.00 0.00 C ATOM 1772 C LYS A 112 -5.374 -4.910 -17.383 1.00 0.00 C ATOM 1773 O LYS A 112 -4.350 -4.286 -17.018 1.00 0.00 O ATOM 1774 CB LYS A 112 -7.649 -4.125 -16.400 1.00 0.00 C ATOM 1775 CG LYS A 112 -7.583 -2.967 -15.355 1.00 0.00 C ATOM 1776 CD LYS A 112 -6.330 -2.065 -15.457 1.00 0.00 C ATOM 1777 CE LYS A 112 -6.219 -1.301 -16.784 1.00 0.00 C ATOM 1778 NZ LYS A 112 -4.934 -0.570 -16.877 1.00 0.00 N ATOM 1779 OXT LYS A 112 -5.542 -5.273 -18.565 1.00 0.00 O ATOM 0 H LYS A 112 -5.336 -4.550 -14.718 1.00 0.00 H new ATOM 0 HA LYS A 112 -6.933 -6.162 -16.622 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.655 -3.683 -17.396 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -8.601 -4.641 -16.275 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.471 -2.344 -15.468 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.622 -3.398 -14.355 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.343 -1.348 -14.636 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.440 -2.681 -15.328 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.304 -1.999 -17.617 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.047 -0.598 -16.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -4.888 -0.063 -17.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -4.866 0.113 -16.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -4.145 -1.245 -16.817 1.00 0.00 H new TER 1793 LYS A 112