USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 993 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 102 LYS NZ :NH3+ -129:sc= 0 (180deg=0) USER MOD Set 1.2: A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 21 LYS NZ :NH3+ -128:sc= -5.24! (180deg=-0.00176) USER MOD Set 2.2: A 48 LYS NZ :NH3+ -161:sc= -7.02! (180deg=-3.03!) USER MOD Single : A 4 THR OG1 : rot 50:sc= 0.0806 USER MOD Single : A 9 MET CE :methyl -131:sc= 0 (180deg=-0.308) USER MOD Single : A 12 ASN : amide:sc= -1.63 K(o=-1.6,f=-4.8!) USER MOD Single : A 20 THR OG1 : rot 71:sc= 0.743 USER MOD Single : A 23 THR OG1 : rot 172:sc= -0.196 USER MOD Single : A 26 LYS NZ :NH3+ -147:sc= -4.72! (180deg=-7.19!) USER MOD Single : A 27 CYS SG : rot 112:sc= -3.78! USER MOD Single : A 30 SER OG : rot 100:sc= 1.31 USER MOD Single : A 32 SER OG : rot -170:sc= -0.67 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 34 MET CE :methyl -144:sc= -1.15 (180deg=-4.38!) USER MOD Single : A 36 ASN : amide:sc=-0.00793 X(o=-0.0079,f=-0.3) USER MOD Single : A 40 GLN : amide:sc= 0.33 X(o=0.33,f=-0.013) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN :FLIP amide:sc= -0.109 F(o=-0.83,f=-0.11) USER MOD Single : A 59 GLN : amide:sc= -2.14! C(o=-2.1!,f=-2.9!) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0285) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -105:sc= -0.429 (180deg=-2.11!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0263 X(o=-0.026,f=-0.0057) USER MOD Single : A 93 THR OG1 : rot 26:sc= 0.889 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 77:sc= 0.0142 USER MOD Single : A 108 HIS : no HE2:sc= -0.47 K(o=-0.47,f=-1.6) USER MOD Single : A 109 THR OG1 : rot 130:sc= -1.25 USER MOD Single : A 111 GLN : amide:sc= -1.15 K(o=-1.1,f=-7.1!) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 16:sc= -4.44! USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 153:sc= -0.0997 (180deg=-2) USER MOD Single : A 124 THR OG1 : rot 30:sc= -0.769 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -16.315 4.296 13.928 1.00 0.00 N ATOM 22 CA LEU A 3 -15.238 5.054 13.250 1.00 0.00 C ATOM 23 C LEU A 3 -14.130 5.490 14.227 1.00 0.00 C ATOM 24 O LEU A 3 -13.650 6.628 14.177 1.00 0.00 O ATOM 25 CB LEU A 3 -15.815 6.272 12.486 1.00 0.00 C ATOM 26 CG LEU A 3 -16.621 5.942 11.222 1.00 0.00 C ATOM 27 CD1 LEU A 3 -18.056 5.556 11.567 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.605 7.122 10.263 1.00 0.00 C ATOM 0 HA LEU A 3 -14.779 4.380 12.526 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -16.454 6.835 13.166 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.990 6.928 12.208 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.151 5.087 10.736 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -18.602 5.328 10.651 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -18.051 4.679 12.215 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -18.542 6.385 12.082 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.180 6.874 9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -17.046 7.992 10.749 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -15.577 7.347 9.980 1.00 0.00 H new ATOM 40 N THR A 4 -13.739 4.560 15.118 1.00 0.00 N ATOM 41 CA THR A 4 -12.678 4.791 16.114 1.00 0.00 C ATOM 42 C THR A 4 -12.093 3.459 16.588 1.00 0.00 C ATOM 43 O THR A 4 -12.720 2.742 17.379 1.00 0.00 O ATOM 44 CB THR A 4 -13.179 5.579 17.355 1.00 0.00 C ATOM 45 OG1 THR A 4 -14.464 5.093 17.763 1.00 0.00 O ATOM 46 CG2 THR A 4 -13.261 7.073 17.078 1.00 0.00 C ATOM 0 H THR A 4 -14.150 3.628 15.167 1.00 0.00 H new ATOM 0 HA THR A 4 -11.917 5.390 15.615 1.00 0.00 H new ATOM 0 HB THR A 4 -12.457 5.423 18.156 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.435 4.117 17.841 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.615 7.590 17.970 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.273 7.448 16.810 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.953 7.253 16.255 1.00 0.00 H new ATOM 54 N GLY A 5 -10.898 3.122 16.086 1.00 0.00 N ATOM 55 CA GLY A 5 -10.250 1.875 16.471 1.00 0.00 C ATOM 56 C GLY A 5 -8.734 1.916 16.361 1.00 0.00 C ATOM 57 O GLY A 5 -8.090 2.789 16.951 1.00 0.00 O ATOM 0 H GLY A 5 -10.372 3.690 15.422 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.525 1.635 17.498 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.630 1.069 15.843 1.00 0.00 H new ATOM 61 N ALA A 6 -8.170 0.965 15.601 1.00 0.00 N ATOM 62 CA ALA A 6 -6.715 0.860 15.426 1.00 0.00 C ATOM 63 C ALA A 6 -6.245 1.231 14.008 1.00 0.00 C ATOM 64 O ALA A 6 -5.042 1.189 13.723 1.00 0.00 O ATOM 65 CB ALA A 6 -6.259 -0.549 15.784 1.00 0.00 C ATOM 0 H ALA A 6 -8.702 0.256 15.097 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.258 1.586 16.098 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.180 -0.626 15.654 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.516 -0.762 16.822 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.755 -1.269 15.133 1.00 0.00 H new ATOM 71 N LEU A 7 -7.185 1.605 13.131 1.00 0.00 N ATOM 72 CA LEU A 7 -6.856 1.988 11.757 1.00 0.00 C ATOM 73 C LEU A 7 -6.945 3.504 11.643 1.00 0.00 C ATOM 74 O LEU A 7 -7.815 4.050 10.951 1.00 0.00 O ATOM 75 CB LEU A 7 -7.807 1.298 10.760 1.00 0.00 C ATOM 76 CG LEU A 7 -7.241 0.982 9.369 1.00 0.00 C ATOM 77 CD1 LEU A 7 -8.151 -0.006 8.655 1.00 0.00 C ATOM 78 CD2 LEU A 7 -7.082 2.244 8.523 1.00 0.00 C ATOM 0 H LEU A 7 -8.180 1.650 13.351 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.843 1.666 11.513 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.149 0.365 11.207 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.685 1.932 10.634 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.252 0.544 9.503 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.745 -0.227 7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.215 -0.926 9.235 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.146 0.427 8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.679 1.979 7.546 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.053 2.722 8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.400 2.933 9.022 1.00 0.00 H new ATOM 90 N ALA A 8 -6.027 4.193 12.353 1.00 0.00 N ATOM 91 CA ALA A 8 -5.997 5.669 12.413 1.00 0.00 C ATOM 92 C ALA A 8 -7.320 6.190 13.004 1.00 0.00 C ATOM 93 O ALA A 8 -7.759 7.311 12.716 1.00 0.00 O ATOM 94 CB ALA A 8 -5.711 6.282 11.035 1.00 0.00 C ATOM 0 H ALA A 8 -5.290 3.745 12.898 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.180 5.977 13.066 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.696 7.369 11.116 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.744 5.932 10.675 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.490 5.981 10.334 1.00 0.00 H new ATOM 100 N MET A 9 -7.936 5.330 13.857 1.00 0.00 N ATOM 101 CA MET A 9 -9.226 5.588 14.530 1.00 0.00 C ATOM 102 C MET A 9 -10.396 5.416 13.544 1.00 0.00 C ATOM 103 O MET A 9 -11.343 6.204 13.538 1.00 0.00 O ATOM 104 CB MET A 9 -9.263 6.976 15.218 1.00 0.00 C ATOM 105 CG MET A 9 -8.280 7.112 16.374 1.00 0.00 C ATOM 106 SD MET A 9 -8.254 8.769 17.091 1.00 0.00 S ATOM 107 CE MET A 9 -9.681 8.711 18.172 1.00 0.00 C ATOM 0 H MET A 9 -7.538 4.422 14.097 1.00 0.00 H new ATOM 0 HA MET A 9 -9.334 4.847 15.322 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.047 7.745 14.477 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.272 7.162 15.586 1.00 0.00 H new ATOM 0 HG2 MET A 9 -8.539 6.391 17.150 1.00 0.00 H new ATOM 0 HG3 MET A 9 -7.279 6.858 16.024 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.301 9.592 18.004 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.262 7.813 17.960 1.00 0.00 H new ATOM 0 HE3 MET A 9 -9.350 8.693 19.210 1.00 0.00 H new ATOM 117 N ARG A 10 -10.304 4.368 12.693 1.00 0.00 N ATOM 118 CA ARG A 10 -11.343 4.059 11.680 1.00 0.00 C ATOM 119 C ARG A 10 -11.416 2.553 11.375 1.00 0.00 C ATOM 120 O ARG A 10 -12.093 2.133 10.431 1.00 0.00 O ATOM 121 CB ARG A 10 -11.085 4.833 10.370 1.00 0.00 C ATOM 122 CG ARG A 10 -11.178 6.353 10.496 1.00 0.00 C ATOM 123 CD ARG A 10 -10.208 7.061 9.558 1.00 0.00 C ATOM 124 NE ARG A 10 -10.609 6.953 8.149 1.00 0.00 N ATOM 125 CZ ARG A 10 -9.905 7.437 7.115 1.00 0.00 C ATOM 126 NH1 ARG A 10 -8.750 8.072 7.305 1.00 0.00 N ATOM 127 NH2 ARG A 10 -10.364 7.281 5.881 1.00 0.00 N ATOM 0 H ARG A 10 -9.517 3.719 12.687 1.00 0.00 H new ATOM 0 HA ARG A 10 -12.297 4.372 12.104 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.093 4.573 10.000 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.802 4.500 9.620 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.196 6.674 10.275 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.967 6.646 11.525 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.143 8.113 9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.212 6.637 9.683 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.486 6.475 7.942 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.386 8.197 8.250 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.229 8.433 6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.247 6.796 5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.834 7.646 5.090 1.00 0.00 H new ATOM 141 N LEU A 11 -10.734 1.739 12.192 1.00 0.00 N ATOM 142 CA LEU A 11 -10.732 0.263 12.049 1.00 0.00 C ATOM 143 C LEU A 11 -12.151 -0.321 12.167 1.00 0.00 C ATOM 144 O LEU A 11 -12.372 -1.491 11.843 1.00 0.00 O ATOM 145 CB LEU A 11 -9.786 -0.321 13.130 1.00 0.00 C ATOM 146 CG LEU A 11 -9.590 -1.864 13.237 1.00 0.00 C ATOM 147 CD1 LEU A 11 -10.674 -2.505 14.094 1.00 0.00 C ATOM 148 CD2 LEU A 11 -9.522 -2.537 11.865 1.00 0.00 C ATOM 0 H LEU A 11 -10.168 2.076 12.970 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.375 -0.010 11.056 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.802 0.122 12.974 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.144 0.029 14.098 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.628 -2.020 13.726 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.507 -3.581 14.147 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.641 -2.082 15.098 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.651 -2.311 13.650 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.385 -3.611 11.993 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.449 -2.352 11.322 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.684 -2.129 11.301 1.00 0.00 H new ATOM 160 N ASN A 12 -13.110 0.509 12.606 1.00 0.00 N ATOM 161 CA ASN A 12 -14.500 0.083 12.753 1.00 0.00 C ATOM 162 C ASN A 12 -15.095 -0.293 11.410 1.00 0.00 C ATOM 163 O ASN A 12 -14.759 0.276 10.369 1.00 0.00 O ATOM 164 CB ASN A 12 -15.347 1.171 13.419 1.00 0.00 C ATOM 165 CG ASN A 12 -14.910 1.472 14.845 1.00 0.00 C ATOM 166 OD1 ASN A 12 -13.720 1.469 15.161 1.00 0.00 O ATOM 167 ND2 ASN A 12 -15.878 1.719 15.719 1.00 0.00 N ATOM 0 H ASN A 12 -12.942 1.481 12.865 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.507 -0.797 13.396 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -15.288 2.084 12.826 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.392 0.860 13.423 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.648 1.916 16.693 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.852 1.712 15.417 1.00 0.00 H new ATOM 174 N ASP A 13 -15.978 -1.270 11.488 1.00 0.00 N ATOM 175 CA ASP A 13 -16.694 -1.862 10.352 1.00 0.00 C ATOM 176 C ASP A 13 -17.227 -0.850 9.319 1.00 0.00 C ATOM 177 O ASP A 13 -17.320 -1.189 8.141 1.00 0.00 O ATOM 178 CB ASP A 13 -17.826 -2.729 10.914 1.00 0.00 C ATOM 179 CG ASP A 13 -18.586 -3.521 9.858 1.00 0.00 C ATOM 180 OD1 ASP A 13 -18.180 -4.665 9.568 1.00 0.00 O ATOM 181 OD2 ASP A 13 -19.585 -2.993 9.325 1.00 0.00 O ATOM 0 H ASP A 13 -16.233 -1.698 12.378 1.00 0.00 H new ATOM 0 HA ASP A 13 -15.977 -2.456 9.786 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.409 -3.423 11.644 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -18.528 -2.089 11.448 1.00 0.00 H new ATOM 186 N GLU A 14 -17.569 0.373 9.743 1.00 0.00 N ATOM 187 CA GLU A 14 -18.070 1.394 8.808 1.00 0.00 C ATOM 188 C GLU A 14 -16.979 1.825 7.832 1.00 0.00 C ATOM 189 O GLU A 14 -17.141 1.726 6.605 1.00 0.00 O ATOM 190 CB GLU A 14 -18.598 2.625 9.564 1.00 0.00 C ATOM 191 CG GLU A 14 -20.028 2.477 10.062 1.00 0.00 C ATOM 192 CD GLU A 14 -20.138 1.641 11.326 1.00 0.00 C ATOM 193 OE1 GLU A 14 -20.301 0.408 11.210 1.00 0.00 O ATOM 194 OE2 GLU A 14 -20.062 2.221 12.430 1.00 0.00 O ATOM 0 H GLU A 14 -17.510 0.679 10.714 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.890 0.946 8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.946 2.824 10.415 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.540 3.494 8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.444 3.466 10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.633 2.021 9.279 1.00 0.00 H new ATOM 201 N ASP A 15 -15.830 2.202 8.394 1.00 0.00 N ATOM 202 CA ASP A 15 -14.708 2.677 7.600 1.00 0.00 C ATOM 203 C ASP A 15 -13.932 1.510 7.043 1.00 0.00 C ATOM 204 O ASP A 15 -13.299 1.633 6.014 1.00 0.00 O ATOM 205 CB ASP A 15 -13.775 3.549 8.433 1.00 0.00 C ATOM 206 CG ASP A 15 -14.350 4.917 8.768 1.00 0.00 C ATOM 207 OD1 ASP A 15 -15.071 5.494 7.924 1.00 0.00 O ATOM 208 OD2 ASP A 15 -14.061 5.418 9.874 1.00 0.00 O ATOM 0 H ASP A 15 -15.657 2.186 9.399 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.110 3.275 6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.537 3.028 9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.838 3.681 7.893 1.00 0.00 H new ATOM 213 N LEU A 16 -14.030 0.374 7.736 1.00 0.00 N ATOM 214 CA LEU A 16 -13.350 -0.859 7.356 1.00 0.00 C ATOM 215 C LEU A 16 -14.038 -1.522 6.164 1.00 0.00 C ATOM 216 O LEU A 16 -13.379 -2.154 5.346 1.00 0.00 O ATOM 217 CB LEU A 16 -13.295 -1.785 8.566 1.00 0.00 C ATOM 218 CG LEU A 16 -12.804 -3.217 8.320 1.00 0.00 C ATOM 219 CD1 LEU A 16 -11.298 -3.250 8.135 1.00 0.00 C ATOM 220 CD2 LEU A 16 -13.224 -4.106 9.468 1.00 0.00 C ATOM 0 H LEU A 16 -14.590 0.286 8.584 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.332 -0.632 7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.648 -1.328 9.314 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.294 -1.838 8.999 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.258 -3.590 7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.975 -4.277 7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.023 -2.634 7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.813 -2.863 9.031 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.873 -5.122 9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.791 -3.731 10.396 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.311 -4.107 9.549 1.00 0.00 H new ATOM 232 N ASP A 17 -15.368 -1.384 6.097 1.00 0.00 N ATOM 233 CA ASP A 17 -16.155 -1.915 4.980 1.00 0.00 C ATOM 234 C ASP A 17 -15.984 -0.981 3.779 1.00 0.00 C ATOM 235 O ASP A 17 -15.544 -1.396 2.681 1.00 0.00 O ATOM 236 CB ASP A 17 -17.631 -2.026 5.372 1.00 0.00 C ATOM 237 CG ASP A 17 -18.343 -3.161 4.661 1.00 0.00 C ATOM 238 OD1 ASP A 17 -18.890 -2.925 3.564 1.00 0.00 O ATOM 239 OD2 ASP A 17 -18.353 -4.287 5.203 1.00 0.00 O ATOM 0 H ASP A 17 -15.923 -0.907 6.807 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.805 -2.914 4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.706 -2.174 6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.135 -1.087 5.143 1.00 0.00 H new ATOM 244 N PHE A 18 -16.265 0.318 4.015 1.00 0.00 N ATOM 245 CA PHE A 18 -16.101 1.326 2.976 1.00 0.00 C ATOM 246 C PHE A 18 -14.604 1.451 2.609 1.00 0.00 C ATOM 247 O PHE A 18 -14.252 2.054 1.598 1.00 0.00 O ATOM 248 CB PHE A 18 -16.758 2.664 3.384 1.00 0.00 C ATOM 249 CG PHE A 18 -18.269 2.595 3.497 1.00 0.00 C ATOM 250 CD1 PHE A 18 -19.055 2.266 2.396 1.00 0.00 C ATOM 251 CD2 PHE A 18 -18.902 2.860 4.702 1.00 0.00 C ATOM 252 CE1 PHE A 18 -20.431 2.202 2.500 1.00 0.00 C ATOM 253 CE2 PHE A 18 -20.279 2.797 4.810 1.00 0.00 C ATOM 254 CZ PHE A 18 -21.043 2.467 3.709 1.00 0.00 C ATOM 0 H PHE A 18 -16.602 0.679 4.908 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.626 1.015 2.073 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.346 2.983 4.341 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.492 3.427 2.652 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.582 2.058 1.447 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -18.311 3.119 5.568 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -21.027 1.945 1.637 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -20.757 3.006 5.756 1.00 0.00 H new ATOM 0 HZ PHE A 18 -22.119 2.416 3.793 1.00 0.00 H new ATOM 264 N LEU A 19 -13.738 0.925 3.509 1.00 0.00 N ATOM 265 CA LEU A 19 -12.283 0.825 3.295 1.00 0.00 C ATOM 266 C LEU A 19 -11.968 -0.483 2.554 1.00 0.00 C ATOM 267 O LEU A 19 -11.017 -0.556 1.772 1.00 0.00 O ATOM 268 CB LEU A 19 -11.523 0.792 4.640 1.00 0.00 C ATOM 269 CG LEU A 19 -10.085 1.391 4.707 1.00 0.00 C ATOM 270 CD1 LEU A 19 -9.360 1.407 3.360 1.00 0.00 C ATOM 271 CD2 LEU A 19 -10.115 2.791 5.301 1.00 0.00 C ATOM 0 H LEU A 19 -14.038 0.556 4.411 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.969 1.695 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.133 1.316 5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.462 -0.249 4.959 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.515 0.726 5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.367 1.837 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.269 0.388 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.927 2.007 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.102 3.192 5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.737 3.436 4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.527 2.750 6.309 1.00 0.00 H new ATOM 283 N THR A 20 -12.781 -1.522 2.836 1.00 0.00 N ATOM 284 CA THR A 20 -12.592 -2.853 2.255 1.00 0.00 C ATOM 285 C THR A 20 -13.046 -2.952 0.793 1.00 0.00 C ATOM 286 O THR A 20 -12.756 -3.956 0.135 1.00 0.00 O ATOM 287 CB THR A 20 -13.271 -3.963 3.114 1.00 0.00 C ATOM 288 OG1 THR A 20 -12.529 -5.182 2.998 1.00 0.00 O ATOM 289 CG2 THR A 20 -14.726 -4.232 2.722 1.00 0.00 C ATOM 0 H THR A 20 -13.579 -1.456 3.468 1.00 0.00 H new ATOM 0 HA THR A 20 -11.515 -3.019 2.262 1.00 0.00 H new ATOM 0 HB THR A 20 -13.275 -3.598 4.141 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.677 -5.093 3.473 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.136 -5.015 3.360 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.311 -3.320 2.845 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.769 -4.553 1.681 1.00 0.00 H new ATOM 297 N LYS A 21 -13.779 -1.928 0.304 1.00 0.00 N ATOM 298 CA LYS A 21 -14.264 -1.883 -1.107 1.00 0.00 C ATOM 299 C LYS A 21 -13.245 -2.415 -2.139 1.00 0.00 C ATOM 300 O LYS A 21 -13.646 -2.953 -3.175 1.00 0.00 O ATOM 301 CB LYS A 21 -14.678 -0.451 -1.533 1.00 0.00 C ATOM 302 CG LYS A 21 -13.961 0.694 -0.839 1.00 0.00 C ATOM 303 CD LYS A 21 -12.493 0.809 -1.213 1.00 0.00 C ATOM 304 CE LYS A 21 -11.756 1.583 -0.144 1.00 0.00 C ATOM 305 NZ LYS A 21 -10.281 1.480 -0.269 1.00 0.00 N ATOM 0 H LYS A 21 -14.052 -1.118 0.860 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.130 -2.545 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.517 -0.354 -2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.748 -0.339 -1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.464 1.629 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.043 0.562 0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.057 -0.184 -1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.391 1.311 -2.175 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.047 2.632 -0.196 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.059 1.216 0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.875 1.185 0.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.043 0.778 -0.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.890 2.405 -0.539 1.00 0.00 H new ATOM 319 N TRP A 22 -11.934 -2.263 -1.851 1.00 0.00 N ATOM 320 CA TRP A 22 -10.863 -2.715 -2.761 1.00 0.00 C ATOM 321 C TRP A 22 -9.487 -2.631 -2.076 1.00 0.00 C ATOM 322 O TRP A 22 -9.384 -2.147 -0.947 1.00 0.00 O ATOM 323 CB TRP A 22 -10.881 -1.869 -4.049 1.00 0.00 C ATOM 324 CG TRP A 22 -10.539 -2.631 -5.301 1.00 0.00 C ATOM 325 CD1 TRP A 22 -9.563 -2.318 -6.200 1.00 0.00 C ATOM 326 CD2 TRP A 22 -11.182 -3.818 -5.806 1.00 0.00 C ATOM 327 NE1 TRP A 22 -9.546 -3.237 -7.221 1.00 0.00 N ATOM 328 CE2 TRP A 22 -10.529 -4.165 -7.003 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.239 -4.622 -5.359 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -10.896 -5.276 -7.757 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -12.602 -5.723 -6.111 1.00 0.00 C ATOM 332 CH2 TRP A 22 -11.932 -6.042 -7.297 1.00 0.00 C ATOM 0 H TRP A 22 -11.593 -1.829 -0.993 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.043 -3.758 -3.020 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.871 -1.429 -4.166 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.177 -1.044 -3.937 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -8.899 -1.470 -6.121 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.904 -3.229 -8.014 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -12.761 -4.385 -4.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.381 -5.525 -8.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -13.417 -6.348 -5.777 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.239 -6.911 -7.861 1.00 0.00 H new ATOM 343 N THR A 23 -8.434 -3.098 -2.772 1.00 0.00 N ATOM 344 CA THR A 23 -7.063 -3.089 -2.234 1.00 0.00 C ATOM 345 C THR A 23 -6.213 -2.035 -2.929 1.00 0.00 C ATOM 346 O THR A 23 -6.635 -1.464 -3.934 1.00 0.00 O ATOM 347 CB THR A 23 -6.378 -4.463 -2.342 1.00 0.00 C ATOM 348 OG1 THR A 23 -7.275 -5.454 -2.864 1.00 0.00 O ATOM 349 CG2 THR A 23 -5.903 -4.880 -0.973 1.00 0.00 C ATOM 0 H THR A 23 -8.508 -3.488 -3.712 1.00 0.00 H new ATOM 0 HA THR A 23 -7.149 -2.844 -1.175 1.00 0.00 H new ATOM 0 HB THR A 23 -5.535 -4.380 -3.028 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.780 -6.279 -3.048 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.416 -5.853 -1.038 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.194 -4.144 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.755 -4.945 -0.296 1.00 0.00 H new ATOM 357 N ASP A 24 -4.995 -1.817 -2.422 1.00 0.00 N ATOM 358 CA ASP A 24 -4.118 -0.782 -2.960 1.00 0.00 C ATOM 359 C ASP A 24 -2.932 -1.382 -3.719 1.00 0.00 C ATOM 360 O ASP A 24 -1.996 -0.661 -4.088 1.00 0.00 O ATOM 361 CB ASP A 24 -3.630 0.111 -1.815 1.00 0.00 C ATOM 362 CG ASP A 24 -4.760 0.868 -1.136 1.00 0.00 C ATOM 363 OD1 ASP A 24 -5.335 0.330 -0.166 1.00 0.00 O ATOM 364 OD2 ASP A 24 -5.066 1.996 -1.574 1.00 0.00 O ATOM 0 H ASP A 24 -4.599 -2.343 -1.643 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.685 -0.185 -3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.114 -0.503 -1.076 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.902 0.824 -2.201 1.00 0.00 H new ATOM 369 N PHE A 25 -2.983 -2.696 -3.973 1.00 0.00 N ATOM 370 CA PHE A 25 -1.910 -3.368 -4.688 1.00 0.00 C ATOM 371 C PHE A 25 -2.328 -3.677 -6.133 1.00 0.00 C ATOM 372 O PHE A 25 -2.263 -4.805 -6.629 1.00 0.00 O ATOM 373 CB PHE A 25 -1.546 -4.596 -3.869 1.00 0.00 C ATOM 374 CG PHE A 25 -0.304 -5.383 -4.239 1.00 0.00 C ATOM 375 CD1 PHE A 25 0.842 -5.300 -3.460 1.00 0.00 C ATOM 376 CD2 PHE A 25 -0.298 -6.238 -5.332 1.00 0.00 C ATOM 377 CE1 PHE A 25 1.965 -6.045 -3.768 1.00 0.00 C ATOM 378 CE2 PHE A 25 0.825 -6.980 -5.647 1.00 0.00 C ATOM 379 CZ PHE A 25 1.958 -6.884 -4.864 1.00 0.00 C ATOM 0 H PHE A 25 -3.753 -3.304 -3.693 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.025 -2.740 -4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.439 -4.280 -2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.393 -5.281 -3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.856 -4.645 -2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.183 -6.325 -5.945 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.848 -5.971 -3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.816 -7.635 -6.506 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.836 -7.464 -5.108 1.00 0.00 H new ATOM 389 N LYS A 26 -2.760 -2.607 -6.776 1.00 0.00 N ATOM 390 CA LYS A 26 -3.103 -2.570 -8.187 1.00 0.00 C ATOM 391 C LYS A 26 -2.245 -1.450 -8.767 1.00 0.00 C ATOM 392 O LYS A 26 -2.273 -1.154 -9.965 1.00 0.00 O ATOM 393 CB LYS A 26 -4.632 -2.344 -8.418 1.00 0.00 C ATOM 394 CG LYS A 26 -5.107 -0.878 -8.563 1.00 0.00 C ATOM 395 CD LYS A 26 -5.402 -0.193 -7.222 1.00 0.00 C ATOM 396 CE LYS A 26 -4.137 0.032 -6.390 1.00 0.00 C ATOM 397 NZ LYS A 26 -4.047 1.380 -5.772 1.00 0.00 N ATOM 0 H LYS A 26 -2.886 -1.707 -6.313 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.903 -3.521 -8.681 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.923 -2.886 -9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.172 -2.795 -7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.344 -0.308 -9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.006 -0.855 -9.179 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.888 0.765 -7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.104 -0.802 -6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.095 -0.720 -5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.265 -0.123 -7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.051 1.675 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.583 2.062 -6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.444 1.349 -4.811 1.00 0.00 H new ATOM 411 N CYS A 27 -1.474 -0.845 -7.842 1.00 0.00 N ATOM 412 CA CYS A 27 -0.583 0.245 -8.124 1.00 0.00 C ATOM 413 C CYS A 27 0.824 -0.110 -7.676 1.00 0.00 C ATOM 414 O CYS A 27 1.047 -0.546 -6.514 1.00 0.00 O ATOM 415 CB CYS A 27 -1.051 1.513 -7.404 1.00 0.00 C ATOM 416 SG CYS A 27 0.072 2.921 -7.576 1.00 0.00 S ATOM 0 H CYS A 27 -1.470 -1.124 -6.861 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.583 0.429 -9.198 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.031 1.795 -7.789 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.177 1.290 -6.344 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.495 3.843 -8.296 1.00 0.00 H new ATOM 422 N PHE A 28 1.744 0.075 -8.629 1.00 0.00 N ATOM 423 CA PHE A 28 3.166 -0.159 -8.443 1.00 0.00 C ATOM 424 C PHE A 28 3.826 1.131 -7.996 1.00 0.00 C ATOM 425 O PHE A 28 3.712 2.155 -8.671 1.00 0.00 O ATOM 426 CB PHE A 28 3.803 -0.648 -9.755 1.00 0.00 C ATOM 427 CG PHE A 28 3.391 -2.039 -10.167 1.00 0.00 C ATOM 428 CD1 PHE A 28 2.143 -2.276 -10.729 1.00 0.00 C ATOM 429 CD2 PHE A 28 4.258 -3.109 -10.000 1.00 0.00 C ATOM 430 CE1 PHE A 28 1.770 -3.550 -11.111 1.00 0.00 C ATOM 431 CE2 PHE A 28 3.888 -4.385 -10.380 1.00 0.00 C ATOM 432 CZ PHE A 28 2.643 -4.606 -10.936 1.00 0.00 C ATOM 0 H PHE A 28 1.508 0.398 -9.567 1.00 0.00 H new ATOM 0 HA PHE A 28 3.309 -0.927 -7.683 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.541 0.047 -10.553 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.888 -0.619 -9.651 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.456 -1.454 -10.869 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.234 -2.943 -9.568 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.796 -3.720 -11.546 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.572 -5.209 -10.242 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.353 -5.603 -11.233 1.00 0.00 H new ATOM 442 N VAL A 29 4.517 1.083 -6.865 1.00 0.00 N ATOM 443 CA VAL A 29 5.195 2.263 -6.357 1.00 0.00 C ATOM 444 C VAL A 29 6.681 2.177 -6.716 1.00 0.00 C ATOM 445 O VAL A 29 7.327 1.128 -6.544 1.00 0.00 O ATOM 446 CB VAL A 29 4.910 2.475 -4.835 1.00 0.00 C ATOM 447 CG1 VAL A 29 6.072 3.129 -4.083 1.00 0.00 C ATOM 448 CG2 VAL A 29 3.656 3.321 -4.671 1.00 0.00 C ATOM 0 H VAL A 29 4.621 0.248 -6.289 1.00 0.00 H new ATOM 0 HA VAL A 29 4.801 3.160 -6.834 1.00 0.00 H new ATOM 0 HB VAL A 29 4.773 1.486 -4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.806 3.246 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.958 2.500 -4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.281 4.108 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.454 3.471 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.804 4.288 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.810 2.811 -5.133 1.00 0.00 H new ATOM 458 N SER A 30 7.189 3.349 -7.142 1.00 0.00 N ATOM 459 CA SER A 30 8.546 3.570 -7.689 1.00 0.00 C ATOM 460 C SER A 30 9.594 2.522 -7.362 1.00 0.00 C ATOM 461 O SER A 30 10.199 2.500 -6.290 1.00 0.00 O ATOM 462 CB SER A 30 9.043 4.967 -7.290 1.00 0.00 C ATOM 463 OG SER A 30 8.781 5.238 -5.924 1.00 0.00 O ATOM 0 H SER A 30 6.641 4.209 -7.114 1.00 0.00 H new ATOM 0 HA SER A 30 8.422 3.481 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.114 5.041 -7.478 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.557 5.719 -7.912 1.00 0.00 H new ATOM 0 HG SER A 30 9.597 5.095 -5.400 1.00 0.00 H new ATOM 469 N ALA A 31 9.792 1.663 -8.376 1.00 0.00 N ATOM 470 CA ALA A 31 10.778 0.594 -8.357 1.00 0.00 C ATOM 471 C ALA A 31 12.148 1.180 -8.637 1.00 0.00 C ATOM 472 O ALA A 31 13.142 0.737 -8.055 1.00 0.00 O ATOM 473 CB ALA A 31 10.416 -0.447 -9.375 1.00 0.00 C ATOM 0 H ALA A 31 9.256 1.701 -9.243 1.00 0.00 H new ATOM 0 HA ALA A 31 10.795 0.116 -7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.157 -1.246 -9.358 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.434 -0.858 -9.142 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.394 0.006 -10.366 1.00 0.00 H new ATOM 479 N SER A 32 12.173 2.163 -9.578 1.00 0.00 N ATOM 480 CA SER A 32 13.369 2.951 -9.926 1.00 0.00 C ATOM 481 C SER A 32 13.985 2.590 -11.284 1.00 0.00 C ATOM 482 O SER A 32 13.999 3.424 -12.194 1.00 0.00 O ATOM 483 CB SER A 32 14.403 2.848 -8.813 1.00 0.00 C ATOM 484 OG SER A 32 15.149 4.046 -8.676 1.00 0.00 O ATOM 0 H SER A 32 11.349 2.427 -10.118 1.00 0.00 H new ATOM 0 HA SER A 32 13.037 3.984 -10.027 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.903 2.622 -7.872 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.080 2.020 -9.021 1.00 0.00 H new ATOM 0 HG SER A 32 15.902 3.895 -8.067 1.00 0.00 H new ATOM 490 N ASN A 33 14.488 1.360 -11.416 1.00 0.00 N ATOM 491 CA ASN A 33 15.109 0.893 -12.654 1.00 0.00 C ATOM 492 C ASN A 33 14.078 0.110 -13.442 1.00 0.00 C ATOM 493 O ASN A 33 14.215 -0.112 -14.649 1.00 0.00 O ATOM 494 CB ASN A 33 16.331 0.028 -12.339 1.00 0.00 C ATOM 495 CG ASN A 33 17.619 0.832 -12.235 1.00 0.00 C ATOM 496 OD1 ASN A 33 17.627 1.973 -11.767 1.00 0.00 O ATOM 497 ND2 ASN A 33 18.720 0.236 -12.676 1.00 0.00 N ATOM 0 H ASN A 33 14.476 0.664 -10.670 1.00 0.00 H new ATOM 0 HA ASN A 33 15.450 1.742 -13.247 1.00 0.00 H new ATOM 0 HB2 ASN A 33 16.163 -0.501 -11.401 1.00 0.00 H new ATOM 0 HB3 ASN A 33 16.443 -0.729 -13.116 1.00 0.00 H new ATOM 0 HD21 ASN A 33 19.615 0.723 -12.635 1.00 0.00 H new ATOM 0 HD22 ASN A 33 18.671 -0.709 -13.056 1.00 0.00 H new ATOM 504 N MET A 34 13.045 -0.297 -12.708 1.00 0.00 N ATOM 505 CA MET A 34 11.913 -1.016 -13.240 1.00 0.00 C ATOM 506 C MET A 34 10.821 -0.002 -13.618 1.00 0.00 C ATOM 507 O MET A 34 10.124 -0.154 -14.622 1.00 0.00 O ATOM 508 CB MET A 34 11.420 -1.986 -12.165 1.00 0.00 C ATOM 509 CG MET A 34 10.323 -2.955 -12.585 1.00 0.00 C ATOM 510 SD MET A 34 10.743 -3.926 -14.043 1.00 0.00 S ATOM 511 CE MET A 34 9.983 -2.915 -15.307 1.00 0.00 C ATOM 0 H MET A 34 12.980 -0.127 -11.704 1.00 0.00 H new ATOM 0 HA MET A 34 12.181 -1.582 -14.132 1.00 0.00 H new ATOM 0 HB2 MET A 34 12.272 -2.566 -11.810 1.00 0.00 H new ATOM 0 HB3 MET A 34 11.057 -1.403 -11.319 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.109 -3.631 -11.757 1.00 0.00 H new ATOM 0 HG3 MET A 34 9.409 -2.394 -12.782 1.00 0.00 H new ATOM 0 HE1 MET A 34 9.571 -3.556 -16.087 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.183 -2.321 -14.865 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.731 -2.251 -15.740 1.00 0.00 H new ATOM 521 N ARG A 35 10.714 1.049 -12.798 1.00 0.00 N ATOM 522 CA ARG A 35 9.746 2.107 -13.002 1.00 0.00 C ATOM 523 C ARG A 35 10.492 3.424 -13.096 1.00 0.00 C ATOM 524 O ARG A 35 11.239 3.788 -12.181 1.00 0.00 O ATOM 525 CB ARG A 35 8.717 2.087 -11.846 1.00 0.00 C ATOM 526 CG ARG A 35 8.109 3.429 -11.419 1.00 0.00 C ATOM 527 CD ARG A 35 7.172 4.037 -12.462 1.00 0.00 C ATOM 528 NE ARG A 35 6.203 3.074 -13.038 1.00 0.00 N ATOM 529 CZ ARG A 35 5.225 2.446 -12.358 1.00 0.00 C ATOM 530 NH1 ARG A 35 5.051 2.651 -11.055 1.00 0.00 N ATOM 531 NH2 ARG A 35 4.418 1.609 -12.996 1.00 0.00 N ATOM 0 H ARG A 35 11.302 1.181 -11.975 1.00 0.00 H new ATOM 0 HA ARG A 35 9.190 1.967 -13.929 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.901 1.424 -12.133 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.198 1.643 -10.975 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.560 3.290 -10.488 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.914 4.134 -11.212 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.622 4.860 -12.005 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.770 4.461 -13.269 1.00 0.00 H new ATOM 0 HE ARG A 35 6.284 2.870 -14.034 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.664 3.293 -10.553 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.304 2.166 -10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.540 1.445 -13.995 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.675 1.130 -12.487 1.00 0.00 H new ATOM 545 N ASN A 36 10.260 4.133 -14.203 1.00 0.00 N ATOM 546 CA ASN A 36 10.909 5.422 -14.482 1.00 0.00 C ATOM 547 C ASN A 36 10.540 5.940 -15.893 1.00 0.00 C ATOM 548 O ASN A 36 10.687 7.135 -16.166 1.00 0.00 O ATOM 549 CB ASN A 36 12.455 5.313 -14.335 1.00 0.00 C ATOM 550 CG ASN A 36 13.190 6.644 -14.473 1.00 0.00 C ATOM 551 OD1 ASN A 36 12.686 7.697 -14.077 1.00 0.00 O ATOM 552 ND2 ASN A 36 14.391 6.597 -15.037 1.00 0.00 N ATOM 0 H ASN A 36 9.616 3.831 -14.934 1.00 0.00 H new ATOM 0 HA ASN A 36 10.542 6.139 -13.747 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.687 4.881 -13.361 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.833 4.622 -15.088 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.932 7.453 -15.156 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.772 5.705 -15.351 1.00 0.00 H new ATOM 559 N ALA A 37 10.064 5.038 -16.778 1.00 0.00 N ATOM 560 CA ALA A 37 9.701 5.401 -18.156 1.00 0.00 C ATOM 561 C ALA A 37 8.273 5.964 -18.281 1.00 0.00 C ATOM 562 O ALA A 37 8.110 7.139 -18.626 1.00 0.00 O ATOM 563 CB ALA A 37 9.893 4.200 -19.078 1.00 0.00 C ATOM 0 H ALA A 37 9.924 4.052 -16.557 1.00 0.00 H new ATOM 0 HA ALA A 37 10.370 6.207 -18.460 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.622 4.477 -20.097 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.936 3.885 -19.053 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.258 3.380 -18.744 1.00 0.00 H new ATOM 569 N ALA A 38 7.245 5.136 -18.003 1.00 0.00 N ATOM 570 CA ALA A 38 5.846 5.582 -18.109 1.00 0.00 C ATOM 571 C ALA A 38 5.340 6.151 -16.785 1.00 0.00 C ATOM 572 O ALA A 38 4.793 7.258 -16.754 1.00 0.00 O ATOM 573 CB ALA A 38 4.960 4.432 -18.577 1.00 0.00 C ATOM 0 H ALA A 38 7.358 4.166 -17.707 1.00 0.00 H new ATOM 0 HA ALA A 38 5.801 6.382 -18.848 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.928 4.775 -18.651 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.299 4.086 -19.554 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.019 3.612 -17.861 1.00 0.00 H new ATOM 579 N GLY A 39 5.523 5.387 -15.697 1.00 0.00 N ATOM 580 CA GLY A 39 5.131 5.835 -14.371 1.00 0.00 C ATOM 581 C GLY A 39 3.647 6.008 -14.173 1.00 0.00 C ATOM 582 O GLY A 39 3.231 6.834 -13.355 1.00 0.00 O ATOM 0 H GLY A 39 5.941 4.457 -15.720 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.500 5.118 -13.637 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.624 6.785 -14.164 1.00 0.00 H new ATOM 586 N GLN A 40 2.844 5.248 -14.917 1.00 0.00 N ATOM 587 CA GLN A 40 1.406 5.331 -14.762 1.00 0.00 C ATOM 588 C GLN A 40 0.956 4.368 -13.679 1.00 0.00 C ATOM 589 O GLN A 40 0.529 3.232 -13.922 1.00 0.00 O ATOM 590 CB GLN A 40 0.688 5.110 -16.083 1.00 0.00 C ATOM 591 CG GLN A 40 0.192 6.414 -16.669 1.00 0.00 C ATOM 592 CD GLN A 40 -0.766 6.215 -17.827 1.00 0.00 C ATOM 593 OE1 GLN A 40 -0.353 6.144 -18.985 1.00 0.00 O ATOM 594 NE2 GLN A 40 -2.055 6.122 -17.521 1.00 0.00 N ATOM 0 H GLN A 40 3.164 4.581 -15.619 1.00 0.00 H new ATOM 0 HA GLN A 40 1.137 6.339 -14.446 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.363 4.626 -16.789 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.154 4.434 -15.932 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.304 6.991 -15.889 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.045 7.002 -17.007 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.354 6.186 -16.548 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.746 5.986 -18.259 1.00 0.00 H new ATOM 603 N PHE A 41 1.104 4.881 -12.469 1.00 0.00 N ATOM 604 CA PHE A 41 0.780 4.185 -11.239 1.00 0.00 C ATOM 605 C PHE A 41 0.010 5.127 -10.308 1.00 0.00 C ATOM 606 O PHE A 41 -0.887 4.704 -9.567 1.00 0.00 O ATOM 607 CB PHE A 41 2.087 3.682 -10.595 1.00 0.00 C ATOM 608 CG PHE A 41 2.961 4.758 -9.983 1.00 0.00 C ATOM 609 CD1 PHE A 41 3.840 5.488 -10.768 1.00 0.00 C ATOM 610 CD2 PHE A 41 2.898 5.031 -8.625 1.00 0.00 C ATOM 611 CE1 PHE A 41 4.637 6.470 -10.210 1.00 0.00 C ATOM 612 CE2 PHE A 41 3.693 6.011 -8.063 1.00 0.00 C ATOM 613 CZ PHE A 41 4.564 6.732 -8.856 1.00 0.00 C ATOM 0 H PHE A 41 1.464 5.822 -12.313 1.00 0.00 H new ATOM 0 HA PHE A 41 0.142 3.323 -11.438 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.836 2.957 -9.821 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.666 3.153 -11.352 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.903 5.287 -11.827 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.219 4.471 -7.999 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.317 7.032 -10.833 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.633 6.213 -7.004 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.186 7.499 -8.418 1.00 0.00 H new ATOM 623 N ILE A 42 0.373 6.427 -10.380 1.00 0.00 N ATOM 624 CA ILE A 42 -0.260 7.488 -9.586 1.00 0.00 C ATOM 625 C ILE A 42 -1.779 7.533 -9.795 1.00 0.00 C ATOM 626 O ILE A 42 -2.500 8.088 -8.965 1.00 0.00 O ATOM 627 CB ILE A 42 0.351 8.895 -9.879 1.00 0.00 C ATOM 628 CG1 ILE A 42 0.551 9.153 -11.389 1.00 0.00 C ATOM 629 CG2 ILE A 42 1.673 9.054 -9.143 1.00 0.00 C ATOM 630 CD1 ILE A 42 -0.645 9.791 -12.068 1.00 0.00 C ATOM 0 H ILE A 42 1.115 6.764 -10.993 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.058 7.238 -8.545 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.363 9.635 -9.519 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.420 9.797 -11.525 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.775 8.207 -11.883 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.091 10.038 -9.354 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.507 8.953 -8.071 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.370 8.285 -9.476 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.426 9.940 -13.125 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.512 9.139 -11.965 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.857 10.753 -11.602 1.00 0.00 H new ATOM 642 N GLU A 43 -2.256 6.943 -10.913 1.00 0.00 N ATOM 643 CA GLU A 43 -3.689 6.893 -11.203 1.00 0.00 C ATOM 644 C GLU A 43 -4.418 6.072 -10.130 1.00 0.00 C ATOM 645 O GLU A 43 -5.285 6.606 -9.426 1.00 0.00 O ATOM 646 CB GLU A 43 -3.948 6.324 -12.606 1.00 0.00 C ATOM 647 CG GLU A 43 -4.602 7.319 -13.551 1.00 0.00 C ATOM 648 CD GLU A 43 -4.850 6.740 -14.929 1.00 0.00 C ATOM 649 OE1 GLU A 43 -5.836 5.990 -15.089 1.00 0.00 O ATOM 650 OE2 GLU A 43 -4.060 7.037 -15.849 1.00 0.00 O ATOM 0 H GLU A 43 -1.667 6.500 -11.619 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.081 7.910 -11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.002 5.994 -13.036 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.584 5.443 -12.521 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.549 7.650 -13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.967 8.200 -13.641 1.00 0.00 H new ATOM 657 N ALA A 44 -4.051 4.778 -9.990 1.00 0.00 N ATOM 658 CA ALA A 44 -4.642 3.916 -8.962 1.00 0.00 C ATOM 659 C ALA A 44 -4.210 4.330 -7.553 1.00 0.00 C ATOM 660 O ALA A 44 -4.967 4.146 -6.602 1.00 0.00 O ATOM 661 CB ALA A 44 -4.264 2.466 -9.207 1.00 0.00 C ATOM 0 H ALA A 44 -3.353 4.318 -10.575 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.724 4.028 -9.029 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.710 1.838 -8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.631 2.155 -10.185 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.179 2.363 -9.176 1.00 0.00 H new ATOM 667 N ALA A 45 -2.996 4.897 -7.425 1.00 0.00 N ATOM 668 CA ALA A 45 -2.477 5.341 -6.120 1.00 0.00 C ATOM 669 C ALA A 45 -3.266 6.533 -5.568 1.00 0.00 C ATOM 670 O ALA A 45 -3.682 6.526 -4.399 1.00 0.00 O ATOM 671 CB ALA A 45 -0.999 5.693 -6.220 1.00 0.00 C ATOM 0 H ALA A 45 -2.360 5.057 -8.206 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.598 4.510 -5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.636 6.018 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.437 4.816 -6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.865 6.497 -6.944 1.00 0.00 H new ATOM 677 N TYR A 46 -3.514 7.535 -6.434 1.00 0.00 N ATOM 678 CA TYR A 46 -4.249 8.742 -6.037 1.00 0.00 C ATOM 679 C TYR A 46 -5.731 8.429 -5.859 1.00 0.00 C ATOM 680 O TYR A 46 -6.362 8.863 -4.883 1.00 0.00 O ATOM 681 CB TYR A 46 -4.063 9.853 -7.076 1.00 0.00 C ATOM 682 CG TYR A 46 -3.291 11.046 -6.560 1.00 0.00 C ATOM 683 CD1 TYR A 46 -3.945 12.114 -5.958 1.00 0.00 C ATOM 684 CD2 TYR A 46 -1.908 11.104 -6.674 1.00 0.00 C ATOM 685 CE1 TYR A 46 -3.242 13.206 -5.486 1.00 0.00 C ATOM 686 CE2 TYR A 46 -1.198 12.193 -6.204 1.00 0.00 C ATOM 687 CZ TYR A 46 -1.870 13.241 -5.611 1.00 0.00 C ATOM 688 OH TYR A 46 -1.167 14.327 -5.141 1.00 0.00 O ATOM 0 H TYR A 46 -3.215 7.528 -7.409 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.849 9.089 -5.084 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.545 9.444 -7.943 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.043 10.186 -7.418 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.020 12.090 -5.857 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -1.379 10.285 -7.138 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.765 14.028 -5.021 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.123 12.223 -6.301 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.210 14.194 -5.306 1.00 0.00 H new ATOM 698 N ALA A 47 -6.268 7.632 -6.794 1.00 0.00 N ATOM 699 CA ALA A 47 -7.668 7.230 -6.762 1.00 0.00 C ATOM 700 C ALA A 47 -7.967 6.334 -5.558 1.00 0.00 C ATOM 701 O ALA A 47 -8.974 6.543 -4.877 1.00 0.00 O ATOM 702 CB ALA A 47 -8.042 6.543 -8.057 1.00 0.00 C ATOM 0 H ALA A 47 -5.744 7.255 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.277 8.128 -6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.090 6.247 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.886 7.228 -8.890 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.419 5.659 -8.193 1.00 0.00 H new ATOM 708 N LYS A 48 -7.077 5.353 -5.275 1.00 0.00 N ATOM 709 CA LYS A 48 -7.267 4.457 -4.128 1.00 0.00 C ATOM 710 C LYS A 48 -7.154 5.220 -2.820 1.00 0.00 C ATOM 711 O LYS A 48 -7.903 4.941 -1.878 1.00 0.00 O ATOM 712 CB LYS A 48 -6.331 3.255 -4.182 1.00 0.00 C ATOM 713 CG LYS A 48 -6.863 2.150 -5.105 1.00 0.00 C ATOM 714 CD LYS A 48 -7.740 1.120 -4.384 1.00 0.00 C ATOM 715 CE LYS A 48 -9.079 1.698 -3.960 1.00 0.00 C ATOM 716 NZ LYS A 48 -9.126 1.916 -2.499 1.00 0.00 N ATOM 0 H LYS A 48 -6.235 5.170 -5.821 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.279 4.056 -4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.349 3.576 -4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.198 2.854 -3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.439 2.606 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.020 1.637 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.907 0.266 -5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.213 0.749 -3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.251 2.642 -4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.881 1.021 -4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.116 1.997 -2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.678 1.113 -2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.617 2.791 -2.262 1.00 0.00 H new ATOM 730 N ALA A 49 -6.202 6.171 -2.755 1.00 0.00 N ATOM 731 CA ALA A 49 -6.089 7.065 -1.591 1.00 0.00 C ATOM 732 C ALA A 49 -7.448 7.759 -1.373 1.00 0.00 C ATOM 733 O ALA A 49 -7.951 7.860 -0.241 1.00 0.00 O ATOM 734 CB ALA A 49 -4.983 8.090 -1.807 1.00 0.00 C ATOM 0 H ALA A 49 -5.510 6.337 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.829 6.487 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.915 8.741 -0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.033 7.575 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.208 8.688 -2.690 1.00 0.00 H new ATOM 740 N LEU A 50 -8.059 8.182 -2.502 1.00 0.00 N ATOM 741 CA LEU A 50 -9.385 8.812 -2.498 1.00 0.00 C ATOM 742 C LEU A 50 -10.462 7.815 -2.038 1.00 0.00 C ATOM 743 O LEU A 50 -11.397 8.192 -1.323 1.00 0.00 O ATOM 744 CB LEU A 50 -9.730 9.351 -3.894 1.00 0.00 C ATOM 745 CG LEU A 50 -9.606 10.873 -4.073 1.00 0.00 C ATOM 746 CD1 LEU A 50 -8.164 11.280 -4.355 1.00 0.00 C ATOM 747 CD2 LEU A 50 -10.520 11.350 -5.192 1.00 0.00 C ATOM 0 H LEU A 50 -7.646 8.095 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.360 9.645 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.080 8.864 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.752 9.058 -4.134 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.913 11.348 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.108 12.362 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.530 10.976 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.821 10.794 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.421 12.429 -5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.241 10.859 -6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.553 11.104 -4.948 1.00 0.00 H new ATOM 759 N ARG A 51 -10.317 6.531 -2.440 1.00 0.00 N ATOM 760 CA ARG A 51 -11.266 5.481 -2.032 1.00 0.00 C ATOM 761 C ARG A 51 -11.112 5.178 -0.538 1.00 0.00 C ATOM 762 O ARG A 51 -12.070 4.773 0.126 1.00 0.00 O ATOM 763 CB ARG A 51 -11.118 4.211 -2.875 1.00 0.00 C ATOM 764 CG ARG A 51 -11.814 4.291 -4.243 1.00 0.00 C ATOM 765 CD ARG A 51 -10.847 4.331 -5.425 1.00 0.00 C ATOM 766 NE ARG A 51 -10.650 3.005 -6.028 1.00 0.00 N ATOM 767 CZ ARG A 51 -9.725 2.705 -6.959 1.00 0.00 C ATOM 768 NH1 ARG A 51 -8.888 3.627 -7.420 1.00 0.00 N ATOM 769 NH2 ARG A 51 -9.645 1.467 -7.426 1.00 0.00 N ATOM 0 H ARG A 51 -9.559 6.204 -3.040 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.274 5.857 -2.209 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.058 4.009 -3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.526 3.367 -2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.475 3.431 -4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.442 5.181 -4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.228 5.018 -6.180 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.886 4.723 -5.093 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.263 2.252 -5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.939 4.583 -7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.194 3.379 -8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.282 0.749 -7.080 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.947 1.232 -8.131 1.00 0.00 H new ATOM 783 N ILE A 52 -9.893 5.386 -0.008 1.00 0.00 N ATOM 784 CA ILE A 52 -9.644 5.238 1.432 1.00 0.00 C ATOM 785 C ILE A 52 -10.349 6.417 2.116 1.00 0.00 C ATOM 786 O ILE A 52 -10.768 6.332 3.273 1.00 0.00 O ATOM 787 CB ILE A 52 -8.122 5.201 1.772 1.00 0.00 C ATOM 788 CG1 ILE A 52 -7.489 3.926 1.199 1.00 0.00 C ATOM 789 CG2 ILE A 52 -7.875 5.263 3.284 1.00 0.00 C ATOM 790 CD1 ILE A 52 -6.152 4.155 0.533 1.00 0.00 C ATOM 0 H ILE A 52 -9.073 5.655 -0.552 1.00 0.00 H new ATOM 0 HA ILE A 52 -10.035 4.285 1.789 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.661 6.079 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.364 3.201 2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.174 3.485 0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.803 5.235 3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.292 6.187 3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.354 4.411 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.768 3.208 0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.272 4.856 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.450 4.567 1.258 1.00 0.00 H new ATOM 802 N GLU A 53 -10.448 7.523 1.353 1.00 0.00 N ATOM 803 CA GLU A 53 -11.173 8.722 1.779 1.00 0.00 C ATOM 804 C GLU A 53 -12.678 8.541 1.531 1.00 0.00 C ATOM 805 O GLU A 53 -13.475 9.323 2.030 1.00 0.00 O ATOM 806 CB GLU A 53 -10.659 9.975 1.061 1.00 0.00 C ATOM 807 CG GLU A 53 -9.245 10.380 1.457 1.00 0.00 C ATOM 808 CD GLU A 53 -8.772 11.626 0.734 1.00 0.00 C ATOM 809 OE1 GLU A 53 -8.178 11.490 -0.356 1.00 0.00 O ATOM 810 OE2 GLU A 53 -8.997 12.738 1.258 1.00 0.00 O ATOM 0 H GLU A 53 -10.027 7.604 0.428 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.000 8.860 2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.689 9.803 -0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.335 10.804 1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.208 10.552 2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.562 9.558 1.242 1.00 0.00 H new ATOM 817 N LEU A 54 -13.055 7.553 0.686 1.00 0.00 N ATOM 818 CA LEU A 54 -14.472 7.227 0.463 1.00 0.00 C ATOM 819 C LEU A 54 -14.958 6.378 1.624 1.00 0.00 C ATOM 820 O LEU A 54 -16.127 6.419 2.012 1.00 0.00 O ATOM 821 CB LEU A 54 -14.711 6.524 -0.909 1.00 0.00 C ATOM 822 CG LEU A 54 -14.627 4.957 -1.007 1.00 0.00 C ATOM 823 CD1 LEU A 54 -15.698 4.239 -0.179 1.00 0.00 C ATOM 824 CD2 LEU A 54 -14.769 4.496 -2.446 1.00 0.00 C ATOM 0 H LEU A 54 -12.401 6.977 0.156 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.047 8.152 0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.700 6.819 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.988 6.934 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.647 4.697 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.583 3.161 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.587 4.508 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.687 4.537 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.708 3.409 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.733 4.820 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.969 4.928 -3.047 1.00 0.00 H new ATOM 836 N ALA A 55 -14.012 5.584 2.132 1.00 0.00 N ATOM 837 CA ALA A 55 -14.194 4.694 3.287 1.00 0.00 C ATOM 838 C ALA A 55 -14.853 5.403 4.475 1.00 0.00 C ATOM 839 O ALA A 55 -15.368 4.767 5.399 1.00 0.00 O ATOM 840 CB ALA A 55 -12.848 4.149 3.715 1.00 0.00 C ATOM 0 H ALA A 55 -13.071 5.540 1.742 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.858 3.887 2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.979 3.488 4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.403 3.591 2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.192 4.975 3.991 1.00 0.00 H new ATOM 846 N GLN A 56 -14.815 6.727 4.407 1.00 0.00 N ATOM 847 CA GLN A 56 -15.368 7.611 5.415 1.00 0.00 C ATOM 848 C GLN A 56 -16.715 8.155 4.996 1.00 0.00 C ATOM 849 O GLN A 56 -17.095 9.260 5.389 1.00 0.00 O ATOM 850 CB GLN A 56 -14.357 8.725 5.780 1.00 0.00 C ATOM 851 CG GLN A 56 -13.848 9.550 4.607 1.00 0.00 C ATOM 852 CD GLN A 56 -13.079 10.804 5.015 1.00 0.00 C ATOM 853 OE1 GLN A 56 -13.526 11.481 6.074 1.00 0.00 O flip ATOM 854 NE2 GLN A 56 -12.101 11.175 4.366 1.00 0.00 N flip ATOM 0 H GLN A 56 -14.387 7.225 3.627 1.00 0.00 H new ATOM 0 HA GLN A 56 -15.545 7.032 6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -14.825 9.397 6.499 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -13.503 8.268 6.280 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.202 8.925 3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -14.696 9.842 3.987 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -11.787 10.632 3.562 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -11.605 12.025 4.633 1.00 0.00 H new ATOM 863 N LEU A 57 -17.432 7.357 4.188 1.00 0.00 N ATOM 864 CA LEU A 57 -18.766 7.707 3.721 1.00 0.00 C ATOM 865 C LEU A 57 -19.691 7.970 4.882 1.00 0.00 C ATOM 866 O LEU A 57 -20.459 7.112 5.341 1.00 0.00 O ATOM 867 CB LEU A 57 -19.365 6.632 2.797 1.00 0.00 C ATOM 868 CG LEU A 57 -20.886 6.765 2.501 1.00 0.00 C ATOM 869 CD1 LEU A 57 -21.179 7.842 1.464 1.00 0.00 C ATOM 870 CD2 LEU A 57 -21.475 5.428 2.077 1.00 0.00 C ATOM 0 H LEU A 57 -17.097 6.456 3.846 1.00 0.00 H new ATOM 0 HA LEU A 57 -18.662 8.620 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -18.827 6.653 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -19.185 5.654 3.244 1.00 0.00 H new ATOM 0 HG LEU A 57 -21.367 7.076 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -22.254 7.897 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -20.820 8.805 1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -20.673 7.595 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -22.540 5.547 1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -20.972 5.078 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -21.336 4.699 2.876 1.00 0.00 H new ATOM 882 N VAL A 58 -19.535 9.165 5.380 1.00 0.00 N ATOM 883 CA VAL A 58 -20.376 9.676 6.408 1.00 0.00 C ATOM 884 C VAL A 58 -21.565 10.251 5.648 1.00 0.00 C ATOM 885 O VAL A 58 -22.662 10.418 6.188 1.00 0.00 O ATOM 886 CB VAL A 58 -19.636 10.749 7.258 1.00 0.00 C ATOM 887 CG1 VAL A 58 -20.551 11.392 8.301 1.00 0.00 C ATOM 888 CG2 VAL A 58 -18.411 10.142 7.942 1.00 0.00 C ATOM 0 H VAL A 58 -18.809 9.814 5.075 1.00 0.00 H new ATOM 0 HA VAL A 58 -20.682 8.919 7.130 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.315 11.533 6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -19.990 12.134 8.869 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -21.389 11.876 7.800 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.927 10.625 8.978 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -17.907 10.908 8.532 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -18.725 9.329 8.596 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -17.726 9.756 7.187 1.00 0.00 H new ATOM 898 N GLN A 59 -21.288 10.551 4.347 1.00 0.00 N ATOM 899 CA GLN A 59 -22.314 11.086 3.430 1.00 0.00 C ATOM 900 C GLN A 59 -21.958 11.021 1.927 1.00 0.00 C ATOM 901 O GLN A 59 -22.733 10.468 1.142 1.00 0.00 O ATOM 902 CB GLN A 59 -22.661 12.544 3.803 1.00 0.00 C ATOM 903 CG GLN A 59 -21.431 13.388 4.169 1.00 0.00 C ATOM 904 CD GLN A 59 -21.442 14.798 3.583 1.00 0.00 C ATOM 905 OE1 GLN A 59 -20.392 15.335 3.232 1.00 0.00 O ATOM 906 NE2 GLN A 59 -22.619 15.418 3.496 1.00 0.00 N ATOM 0 H GLN A 59 -20.369 10.430 3.921 1.00 0.00 H new ATOM 0 HA GLN A 59 -23.171 10.426 3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -23.178 13.012 2.966 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -23.354 12.541 4.644 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -21.363 13.458 5.255 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -20.535 12.871 3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -23.470 14.942 3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -22.669 16.368 3.129 1.00 0.00 H new ATOM 915 N VAL A 60 -20.800 11.582 1.530 1.00 0.00 N ATOM 916 CA VAL A 60 -20.413 11.638 0.099 1.00 0.00 C ATOM 917 C VAL A 60 -19.096 10.937 -0.231 1.00 0.00 C ATOM 918 O VAL A 60 -18.812 10.619 -1.404 1.00 0.00 O ATOM 919 CB VAL A 60 -20.332 13.098 -0.424 1.00 0.00 C ATOM 920 CG1 VAL A 60 -21.719 13.617 -0.767 1.00 0.00 C ATOM 921 CG2 VAL A 60 -19.642 14.039 0.569 1.00 0.00 C ATOM 0 H VAL A 60 -20.121 11.999 2.167 1.00 0.00 H new ATOM 0 HA VAL A 60 -21.212 11.095 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 60 -19.721 13.080 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -21.644 14.641 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -22.162 12.988 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -22.347 13.594 0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -19.612 15.047 0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -20.197 14.049 1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -18.625 13.692 0.753 1.00 0.00 H new ATOM 931 N ASP A 61 -18.284 10.715 0.797 1.00 0.00 N ATOM 932 CA ASP A 61 -16.954 10.119 0.632 1.00 0.00 C ATOM 933 C ASP A 61 -16.970 8.917 -0.321 1.00 0.00 C ATOM 934 O ASP A 61 -16.220 8.900 -1.307 1.00 0.00 O ATOM 935 CB ASP A 61 -16.357 9.762 1.997 1.00 0.00 C ATOM 936 CG ASP A 61 -16.511 10.892 3.005 1.00 0.00 C ATOM 937 OD1 ASP A 61 -17.611 11.028 3.581 1.00 0.00 O ATOM 938 OD2 ASP A 61 -15.535 11.645 3.208 1.00 0.00 O ATOM 0 H ASP A 61 -18.522 10.940 1.763 1.00 0.00 H new ATOM 0 HA ASP A 61 -16.310 10.864 0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -16.844 8.866 2.381 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.300 9.525 1.878 1.00 0.00 H new ATOM 943 N LYS A 62 -17.841 7.933 -0.047 1.00 0.00 N ATOM 944 CA LYS A 62 -17.974 6.730 -0.915 1.00 0.00 C ATOM 945 C LYS A 62 -18.156 7.094 -2.407 1.00 0.00 C ATOM 946 O LYS A 62 -17.617 6.410 -3.286 1.00 0.00 O ATOM 947 CB LYS A 62 -19.149 5.845 -0.451 1.00 0.00 C ATOM 948 CG LYS A 62 -19.891 5.089 -1.567 1.00 0.00 C ATOM 949 CD LYS A 62 -21.373 5.469 -1.633 1.00 0.00 C ATOM 950 CE LYS A 62 -21.620 6.823 -2.298 1.00 0.00 C ATOM 951 NZ LYS A 62 -22.444 6.694 -3.532 1.00 0.00 N ATOM 0 H LYS A 62 -18.464 7.937 0.761 1.00 0.00 H new ATOM 0 HA LYS A 62 -17.040 6.176 -0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -18.771 5.117 0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -19.867 6.472 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -19.419 5.304 -2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -19.799 4.016 -1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -21.915 4.698 -2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -21.782 5.488 -0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -22.122 7.487 -1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -20.665 7.285 -2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -22.646 7.640 -3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -21.924 6.137 -4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -23.338 6.215 -3.304 1.00 0.00 H new ATOM 965 N VAL A 63 -18.904 8.180 -2.673 1.00 0.00 N ATOM 966 CA VAL A 63 -19.191 8.615 -4.046 1.00 0.00 C ATOM 967 C VAL A 63 -17.929 9.170 -4.732 1.00 0.00 C ATOM 968 O VAL A 63 -17.645 8.847 -5.905 1.00 0.00 O ATOM 969 CB VAL A 63 -20.395 9.620 -4.084 1.00 0.00 C ATOM 970 CG1 VAL A 63 -20.003 11.062 -3.784 1.00 0.00 C ATOM 971 CG2 VAL A 63 -21.138 9.529 -5.413 1.00 0.00 C ATOM 0 H VAL A 63 -19.319 8.771 -1.953 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.498 7.742 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 63 -21.062 9.315 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -20.888 11.697 -3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -19.565 11.120 -2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.275 11.402 -4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -21.968 10.235 -5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.456 9.769 -6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -21.522 8.518 -5.547 1.00 0.00 H new ATOM 981 N ARG A 64 -17.148 9.971 -3.982 1.00 0.00 N ATOM 982 CA ARG A 64 -15.892 10.534 -4.552 1.00 0.00 C ATOM 983 C ARG A 64 -14.925 9.406 -4.897 1.00 0.00 C ATOM 984 O ARG A 64 -14.300 9.407 -5.967 1.00 0.00 O ATOM 985 CB ARG A 64 -15.158 11.540 -3.646 1.00 0.00 C ATOM 986 CG ARG A 64 -15.586 11.535 -2.199 1.00 0.00 C ATOM 987 CD ARG A 64 -16.671 12.563 -1.922 1.00 0.00 C ATOM 988 NE ARG A 64 -17.519 12.862 -3.087 1.00 0.00 N ATOM 989 CZ ARG A 64 -18.265 13.968 -3.225 1.00 0.00 C ATOM 990 NH1 ARG A 64 -18.288 14.905 -2.279 1.00 0.00 N ATOM 991 NH2 ARG A 64 -18.993 14.134 -4.320 1.00 0.00 N ATOM 0 H ARG A 64 -17.346 10.239 -3.018 1.00 0.00 H new ATOM 0 HA ARG A 64 -16.210 11.086 -5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -14.089 11.333 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -15.306 12.542 -4.048 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -15.950 10.543 -1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.723 11.739 -1.565 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -17.301 12.202 -1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -16.204 13.486 -1.578 1.00 0.00 H new ATOM 0 HE ARG A 64 -17.541 12.179 -3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -17.732 14.788 -1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -18.861 15.740 -2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -18.984 13.423 -5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -19.563 14.973 -4.431 1.00 0.00 H new ATOM 1005 N GLY A 65 -14.834 8.427 -3.981 1.00 0.00 N ATOM 1006 CA GLY A 65 -13.962 7.284 -4.181 1.00 0.00 C ATOM 1007 C GLY A 65 -14.409 6.367 -5.306 1.00 0.00 C ATOM 1008 O GLY A 65 -13.566 5.837 -6.019 1.00 0.00 O ATOM 0 H GLY A 65 -15.355 8.414 -3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.954 7.640 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.910 6.711 -3.255 1.00 0.00 H new ATOM 1012 N THR A 66 -15.733 6.181 -5.480 1.00 0.00 N ATOM 1013 CA THR A 66 -16.243 5.315 -6.561 1.00 0.00 C ATOM 1014 C THR A 66 -15.887 5.917 -7.936 1.00 0.00 C ATOM 1015 O THR A 66 -15.463 5.201 -8.860 1.00 0.00 O ATOM 1016 CB THR A 66 -17.773 5.022 -6.436 1.00 0.00 C ATOM 1017 OG1 THR A 66 -18.143 3.985 -7.354 1.00 0.00 O ATOM 1018 CG2 THR A 66 -18.652 6.245 -6.694 1.00 0.00 C ATOM 0 H THR A 66 -16.455 6.609 -4.900 1.00 0.00 H new ATOM 0 HA THR A 66 -15.750 4.348 -6.464 1.00 0.00 H new ATOM 0 HB THR A 66 -17.942 4.715 -5.404 1.00 0.00 H new ATOM 0 HG1 THR A 66 -19.102 3.803 -7.272 1.00 0.00 H new ATOM 0 HG21 THR A 66 -19.701 5.968 -6.590 1.00 0.00 H new ATOM 0 HG22 THR A 66 -18.410 7.026 -5.973 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.473 6.615 -7.703 1.00 0.00 H new ATOM 1026 N LEU A 67 -16.031 7.254 -8.033 1.00 0.00 N ATOM 1027 CA LEU A 67 -15.688 7.995 -9.259 1.00 0.00 C ATOM 1028 C LEU A 67 -14.162 8.010 -9.459 1.00 0.00 C ATOM 1029 O LEU A 67 -13.675 7.998 -10.595 1.00 0.00 O ATOM 1030 CB LEU A 67 -16.237 9.429 -9.188 1.00 0.00 C ATOM 1031 CG LEU A 67 -16.410 10.148 -10.536 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -17.764 9.826 -11.156 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -16.248 11.650 -10.359 1.00 0.00 C ATOM 0 H LEU A 67 -16.382 7.841 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 67 -16.146 7.494 -10.112 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.204 9.403 -8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.569 10.023 -8.564 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.635 9.791 -11.214 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.861 10.347 -12.109 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.843 8.751 -11.320 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -18.558 10.149 -10.483 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -16.373 12.145 -11.322 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -17.001 12.017 -9.661 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -15.254 11.865 -9.967 1.00 0.00 H new ATOM 1045 N ALA A 68 -13.421 8.014 -8.330 1.00 0.00 N ATOM 1046 CA ALA A 68 -11.947 7.977 -8.338 1.00 0.00 C ATOM 1047 C ALA A 68 -11.501 6.606 -8.821 1.00 0.00 C ATOM 1048 O ALA A 68 -10.578 6.456 -9.630 1.00 0.00 O ATOM 1049 CB ALA A 68 -11.398 8.222 -6.933 1.00 0.00 C ATOM 0 H ALA A 68 -13.827 8.043 -7.395 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.569 8.757 -8.999 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -10.309 8.191 -6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.726 9.200 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.768 7.450 -6.258 1.00 0.00 H new ATOM 1055 N LYS A 69 -12.241 5.619 -8.316 1.00 0.00 N ATOM 1056 CA LYS A 69 -12.066 4.216 -8.605 1.00 0.00 C ATOM 1057 C LYS A 69 -12.112 3.957 -10.099 1.00 0.00 C ATOM 1058 O LYS A 69 -11.178 3.390 -10.645 1.00 0.00 O ATOM 1059 CB LYS A 69 -13.154 3.468 -7.839 1.00 0.00 C ATOM 1060 CG LYS A 69 -13.493 2.095 -8.368 1.00 0.00 C ATOM 1061 CD LYS A 69 -13.012 0.985 -7.432 1.00 0.00 C ATOM 1062 CE LYS A 69 -13.899 0.819 -6.199 1.00 0.00 C ATOM 1063 NZ LYS A 69 -13.746 -0.529 -5.586 1.00 0.00 N ATOM 0 H LYS A 69 -13.009 5.794 -7.668 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.086 3.863 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.841 3.371 -6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.060 4.074 -7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.572 2.014 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.039 1.963 -9.350 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.981 0.043 -7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.993 1.202 -7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.647 1.583 -5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.941 0.976 -6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.579 -1.110 -5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.892 -0.987 -5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.660 -0.433 -4.554 1.00 0.00 H new ATOM 1077 N LEU A 70 -13.197 4.389 -10.743 1.00 0.00 N ATOM 1078 CA LEU A 70 -13.351 4.239 -12.189 1.00 0.00 C ATOM 1079 C LEU A 70 -12.277 5.079 -12.921 1.00 0.00 C ATOM 1080 O LEU A 70 -11.606 4.588 -13.862 1.00 0.00 O ATOM 1081 CB LEU A 70 -14.799 4.631 -12.560 1.00 0.00 C ATOM 1082 CG LEU A 70 -15.022 5.390 -13.880 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -16.333 4.966 -14.524 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -15.015 6.893 -13.636 1.00 0.00 C ATOM 0 H LEU A 70 -13.984 4.847 -10.283 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.193 3.208 -12.506 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.395 3.719 -12.594 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.198 5.242 -11.751 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.207 5.144 -14.560 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -16.474 5.513 -15.456 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.307 3.896 -14.731 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.159 5.185 -13.847 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.174 7.415 -14.579 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.812 7.152 -12.939 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.054 7.189 -13.215 1.00 0.00 H new ATOM 1096 N GLU A 71 -12.074 6.319 -12.405 1.00 0.00 N ATOM 1097 CA GLU A 71 -11.097 7.281 -12.956 1.00 0.00 C ATOM 1098 C GLU A 71 -9.736 6.613 -13.186 1.00 0.00 C ATOM 1099 O GLU A 71 -9.079 6.860 -14.202 1.00 0.00 O ATOM 1100 CB GLU A 71 -11.005 8.519 -12.017 1.00 0.00 C ATOM 1101 CG GLU A 71 -9.648 8.778 -11.344 1.00 0.00 C ATOM 1102 CD GLU A 71 -8.706 9.589 -12.216 1.00 0.00 C ATOM 1103 OE1 GLU A 71 -7.896 8.979 -12.943 1.00 0.00 O ATOM 1104 OE2 GLU A 71 -8.781 10.835 -12.170 1.00 0.00 O ATOM 0 H GLU A 71 -12.584 6.675 -11.597 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.435 7.626 -13.933 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.272 9.404 -12.594 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.757 8.409 -11.235 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.808 9.304 -10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.180 7.824 -11.100 1.00 0.00 H new ATOM 1111 N ALA A 72 -9.333 5.773 -12.227 1.00 0.00 N ATOM 1112 CA ALA A 72 -8.083 5.034 -12.330 1.00 0.00 C ATOM 1113 C ALA A 72 -8.316 3.681 -12.993 1.00 0.00 C ATOM 1114 O ALA A 72 -7.598 3.311 -13.905 1.00 0.00 O ATOM 1115 CB ALA A 72 -7.451 4.847 -10.964 1.00 0.00 C ATOM 0 H ALA A 72 -9.859 5.592 -11.372 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.398 5.614 -12.948 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.518 4.292 -11.067 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.246 5.822 -10.521 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.134 4.292 -10.320 1.00 0.00 H new ATOM 1121 N PHE A 73 -9.378 2.984 -12.574 1.00 0.00 N ATOM 1122 CA PHE A 73 -9.739 1.644 -13.090 1.00 0.00 C ATOM 1123 C PHE A 73 -9.884 1.593 -14.621 1.00 0.00 C ATOM 1124 O PHE A 73 -10.123 0.520 -15.188 1.00 0.00 O ATOM 1125 CB PHE A 73 -11.057 1.199 -12.430 1.00 0.00 C ATOM 1126 CG PHE A 73 -10.982 -0.012 -11.526 1.00 0.00 C ATOM 1127 CD1 PHE A 73 -11.989 -0.965 -11.567 1.00 0.00 C ATOM 1128 CD2 PHE A 73 -9.939 -0.190 -10.619 1.00 0.00 C ATOM 1129 CE1 PHE A 73 -11.960 -2.064 -10.734 1.00 0.00 C ATOM 1130 CE2 PHE A 73 -9.905 -1.293 -9.788 1.00 0.00 C ATOM 1131 CZ PHE A 73 -10.917 -2.230 -9.845 1.00 0.00 C ATOM 0 H PHE A 73 -10.021 3.330 -11.862 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.921 0.969 -12.838 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.447 2.035 -11.850 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -11.781 0.992 -13.218 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -12.808 -0.845 -12.261 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.148 0.543 -10.565 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.754 -2.795 -10.777 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.087 -1.422 -9.094 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.893 -3.092 -9.195 1.00 0.00 H new ATOM 1141 N ALA A 74 -9.742 2.759 -15.270 1.00 0.00 N ATOM 1142 CA ALA A 74 -9.825 2.888 -16.732 1.00 0.00 C ATOM 1143 C ALA A 74 -9.125 1.771 -17.546 1.00 0.00 C ATOM 1144 O ALA A 74 -9.825 1.007 -18.219 1.00 0.00 O ATOM 1145 CB ALA A 74 -9.301 4.257 -17.153 1.00 0.00 C ATOM 0 H ALA A 74 -9.566 3.643 -14.792 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.883 2.778 -16.972 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.363 4.353 -18.237 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.903 5.036 -16.685 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.263 4.362 -16.838 1.00 0.00 H new ATOM 1151 N ASP A 75 -7.778 1.653 -17.505 1.00 0.00 N ATOM 1152 CA ASP A 75 -7.107 0.610 -18.309 1.00 0.00 C ATOM 1153 C ASP A 75 -5.978 -0.146 -17.598 1.00 0.00 C ATOM 1154 O ASP A 75 -6.103 -1.345 -17.332 1.00 0.00 O ATOM 1155 CB ASP A 75 -6.605 1.205 -19.640 1.00 0.00 C ATOM 1156 CG ASP A 75 -6.602 0.193 -20.773 1.00 0.00 C ATOM 1157 OD1 ASP A 75 -5.573 -0.492 -20.955 1.00 0.00 O ATOM 1158 OD2 ASP A 75 -7.628 0.087 -21.477 1.00 0.00 O ATOM 0 H ASP A 75 -7.157 2.241 -16.948 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.873 -0.144 -18.491 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.236 2.050 -19.916 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.595 1.592 -19.502 1.00 0.00 H new ATOM 1163 N THR A 76 -4.894 0.560 -17.297 1.00 0.00 N ATOM 1164 CA THR A 76 -3.703 -0.052 -16.687 1.00 0.00 C ATOM 1165 C THR A 76 -3.667 0.273 -15.203 1.00 0.00 C ATOM 1166 O THR A 76 -2.609 0.449 -14.587 1.00 0.00 O ATOM 1167 CB THR A 76 -2.412 0.435 -17.399 1.00 0.00 C ATOM 1168 OG1 THR A 76 -2.632 0.514 -18.814 1.00 0.00 O ATOM 1169 CG2 THR A 76 -1.230 -0.497 -17.135 1.00 0.00 C ATOM 0 H THR A 76 -4.808 1.563 -17.464 1.00 0.00 H new ATOM 0 HA THR A 76 -3.755 -1.134 -16.806 1.00 0.00 H new ATOM 0 HB THR A 76 -2.172 1.419 -16.996 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.814 0.824 -19.256 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.347 -0.120 -17.651 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.033 -0.541 -16.064 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.466 -1.496 -17.501 1.00 0.00 H new ATOM 1177 N VAL A 77 -4.869 0.320 -14.652 1.00 0.00 N ATOM 1178 CA VAL A 77 -5.106 0.649 -13.255 1.00 0.00 C ATOM 1179 C VAL A 77 -6.473 0.077 -12.839 1.00 0.00 C ATOM 1180 O VAL A 77 -7.156 0.597 -11.951 1.00 0.00 O ATOM 1181 CB VAL A 77 -5.030 2.186 -13.042 1.00 0.00 C ATOM 1182 CG1 VAL A 77 -3.636 2.556 -12.560 1.00 0.00 C ATOM 1183 CG2 VAL A 77 -5.360 2.960 -14.328 1.00 0.00 C ATOM 0 H VAL A 77 -5.724 0.127 -15.173 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.336 0.203 -12.625 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.773 2.462 -12.294 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.577 3.634 -12.409 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.429 2.046 -11.619 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.901 2.254 -13.306 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.295 4.031 -14.135 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.649 2.688 -15.109 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.370 2.710 -14.654 1.00 0.00 H new ATOM 1193 N ALA A 78 -6.823 -1.039 -13.506 1.00 0.00 N ATOM 1194 CA ALA A 78 -8.087 -1.758 -13.315 1.00 0.00 C ATOM 1195 C ALA A 78 -7.913 -2.951 -12.335 1.00 0.00 C ATOM 1196 O ALA A 78 -6.904 -2.979 -11.633 1.00 0.00 O ATOM 1197 CB ALA A 78 -8.579 -2.192 -14.697 1.00 0.00 C ATOM 0 H ALA A 78 -6.220 -1.471 -14.206 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.835 -1.114 -12.853 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.520 -2.732 -14.595 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.731 -1.312 -15.322 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.836 -2.842 -15.160 1.00 0.00 H new ATOM 1203 N PRO A 79 -8.892 -3.939 -12.220 1.00 0.00 N ATOM 1204 CA PRO A 79 -8.758 -5.101 -11.298 1.00 0.00 C ATOM 1205 C PRO A 79 -7.454 -5.902 -11.472 1.00 0.00 C ATOM 1206 O PRO A 79 -7.431 -6.974 -12.092 1.00 0.00 O ATOM 1207 CB PRO A 79 -9.975 -5.972 -11.641 1.00 0.00 C ATOM 1208 CG PRO A 79 -10.985 -5.024 -12.160 1.00 0.00 C ATOM 1209 CD PRO A 79 -10.209 -3.986 -12.920 1.00 0.00 C ATOM 0 HA PRO A 79 -8.719 -4.768 -10.261 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -9.723 -6.728 -12.385 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -10.344 -6.500 -10.762 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -11.702 -5.530 -12.807 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.553 -4.572 -11.347 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -10.095 -4.261 -13.969 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.708 -3.017 -12.897 1.00 0.00 H new ATOM 1217 N GLN A 80 -6.370 -5.347 -10.931 1.00 0.00 N ATOM 1218 CA GLN A 80 -5.055 -5.979 -10.975 1.00 0.00 C ATOM 1219 C GLN A 80 -4.452 -5.982 -9.563 1.00 0.00 C ATOM 1220 O GLN A 80 -3.582 -5.171 -9.235 1.00 0.00 O ATOM 1221 CB GLN A 80 -4.149 -5.261 -12.015 1.00 0.00 C ATOM 1222 CG GLN A 80 -4.022 -3.743 -11.860 1.00 0.00 C ATOM 1223 CD GLN A 80 -3.106 -3.127 -12.899 1.00 0.00 C ATOM 1224 OE1 GLN A 80 -1.899 -3.006 -12.687 1.00 0.00 O ATOM 1225 NE2 GLN A 80 -3.677 -2.732 -14.031 1.00 0.00 N ATOM 0 H GLN A 80 -6.380 -4.447 -10.451 1.00 0.00 H new ATOM 0 HA GLN A 80 -5.141 -7.015 -11.301 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -3.151 -5.697 -11.960 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -4.535 -5.473 -13.012 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.010 -3.289 -11.937 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.643 -3.513 -10.864 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.681 -2.851 -14.164 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.111 -2.309 -14.767 1.00 0.00 H new ATOM 1234 N LEU A 81 -4.925 -6.925 -8.731 1.00 0.00 N ATOM 1235 CA LEU A 81 -4.495 -7.034 -7.324 1.00 0.00 C ATOM 1236 C LEU A 81 -4.916 -8.367 -6.692 1.00 0.00 C ATOM 1237 O LEU A 81 -5.630 -9.164 -7.309 1.00 0.00 O ATOM 1238 CB LEU A 81 -5.076 -5.853 -6.490 1.00 0.00 C ATOM 1239 CG LEU A 81 -6.613 -5.786 -6.287 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -6.996 -4.432 -5.720 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -7.405 -6.047 -7.568 1.00 0.00 C ATOM 0 H LEU A 81 -5.610 -7.628 -9.010 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.406 -6.991 -7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.611 -5.881 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.762 -4.924 -6.965 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.871 -6.582 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.076 -4.389 -5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.499 -4.285 -4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.689 -3.648 -6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.472 -5.985 -7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.141 -5.301 -8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.168 -7.041 -7.946 1.00 0.00 H new ATOM 1253 N SER A 82 -4.456 -8.584 -5.452 1.00 0.00 N ATOM 1254 CA SER A 82 -4.772 -9.787 -4.686 1.00 0.00 C ATOM 1255 C SER A 82 -6.043 -9.568 -3.817 1.00 0.00 C ATOM 1256 O SER A 82 -6.529 -8.436 -3.734 1.00 0.00 O ATOM 1257 CB SER A 82 -3.563 -10.165 -3.822 1.00 0.00 C ATOM 1258 OG SER A 82 -3.071 -11.449 -4.166 1.00 0.00 O ATOM 0 H SER A 82 -3.854 -7.927 -4.956 1.00 0.00 H new ATOM 0 HA SER A 82 -4.987 -10.608 -5.370 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.774 -9.424 -3.950 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.846 -10.151 -2.769 1.00 0.00 H new ATOM 0 HG SER A 82 -2.299 -11.666 -3.602 1.00 0.00 H new ATOM 1264 N PRO A 83 -6.610 -10.643 -3.157 1.00 0.00 N ATOM 1265 CA PRO A 83 -7.847 -10.551 -2.328 1.00 0.00 C ATOM 1266 C PRO A 83 -7.951 -9.375 -1.347 1.00 0.00 C ATOM 1267 O PRO A 83 -9.035 -8.793 -1.227 1.00 0.00 O ATOM 1268 CB PRO A 83 -7.852 -11.875 -1.566 1.00 0.00 C ATOM 1269 CG PRO A 83 -7.192 -12.834 -2.484 1.00 0.00 C ATOM 1270 CD PRO A 83 -6.117 -12.052 -3.190 1.00 0.00 C ATOM 0 HA PRO A 83 -8.699 -10.369 -2.983 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.312 -11.792 -0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -8.867 -12.191 -1.325 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.767 -13.673 -1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.906 -13.248 -3.196 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -5.156 -12.150 -2.685 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.977 -12.401 -4.213 1.00 0.00 H new ATOM 1278 N GLY A 84 -6.866 -9.016 -0.654 1.00 0.00 N ATOM 1279 CA GLY A 84 -6.967 -7.914 0.293 1.00 0.00 C ATOM 1280 C GLY A 84 -5.697 -7.627 1.085 1.00 0.00 C ATOM 1281 O GLY A 84 -4.821 -8.485 1.189 1.00 0.00 O ATOM 0 H GLY A 84 -5.947 -9.453 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.250 -7.012 -0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.773 -8.130 0.994 1.00 0.00 H new ATOM 1285 N ASP A 85 -5.635 -6.404 1.666 1.00 0.00 N ATOM 1286 CA ASP A 85 -4.497 -5.887 2.492 1.00 0.00 C ATOM 1287 C ASP A 85 -3.116 -5.857 1.786 1.00 0.00 C ATOM 1288 O ASP A 85 -2.145 -6.439 2.281 1.00 0.00 O ATOM 1289 CB ASP A 85 -4.410 -6.603 3.866 1.00 0.00 C ATOM 1290 CG ASP A 85 -4.071 -8.088 3.814 1.00 0.00 C ATOM 1291 OD1 ASP A 85 -5.012 -8.909 3.774 1.00 0.00 O ATOM 1292 OD2 ASP A 85 -2.869 -8.425 3.819 1.00 0.00 O ATOM 0 H ASP A 85 -6.391 -5.726 1.575 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.746 -4.838 2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.658 -6.098 4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.365 -6.484 4.379 1.00 0.00 H new ATOM 1297 N ILE A 86 -3.041 -5.197 0.620 1.00 0.00 N ATOM 1298 CA ILE A 86 -1.777 -5.055 -0.122 1.00 0.00 C ATOM 1299 C ILE A 86 -1.696 -3.749 -0.953 1.00 0.00 C ATOM 1300 O ILE A 86 -2.725 -3.216 -1.391 1.00 0.00 O ATOM 1301 CB ILE A 86 -1.477 -6.282 -1.036 1.00 0.00 C ATOM 1302 CG1 ILE A 86 -2.747 -6.745 -1.808 1.00 0.00 C ATOM 1303 CG2 ILE A 86 -0.823 -7.407 -0.231 1.00 0.00 C ATOM 1304 CD1 ILE A 86 -3.504 -7.909 -1.233 1.00 0.00 C ATOM 0 H ILE A 86 -3.841 -4.753 0.170 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.010 -5.004 0.651 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.759 -5.978 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.429 -5.898 -1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.451 -7.002 -2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.622 -8.254 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.113 -7.050 0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.494 -7.719 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.365 -8.131 -1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.852 -8.781 -1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.845 -7.661 -0.228 1.00 0.00 H new ATOM 1316 N VAL A 87 -0.453 -3.232 -1.107 1.00 0.00 N ATOM 1317 CA VAL A 87 -0.122 -2.054 -1.957 1.00 0.00 C ATOM 1318 C VAL A 87 1.311 -2.262 -2.532 1.00 0.00 C ATOM 1319 O VAL A 87 2.209 -2.627 -1.767 1.00 0.00 O ATOM 1320 CB VAL A 87 -0.246 -0.707 -1.168 1.00 0.00 C ATOM 1321 CG1 VAL A 87 0.657 -0.660 0.068 1.00 0.00 C ATOM 1322 CG2 VAL A 87 0.013 0.501 -2.069 1.00 0.00 C ATOM 0 H VAL A 87 0.363 -3.625 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.839 -1.980 -2.775 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.277 -0.658 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.530 0.296 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.388 -1.470 0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.697 -0.773 -0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.082 1.417 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.019 0.437 -2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.713 0.511 -2.882 1.00 0.00 H new ATOM 1332 N VAL A 88 1.542 -2.036 -3.859 1.00 0.00 N ATOM 1333 CA VAL A 88 2.878 -2.287 -4.447 1.00 0.00 C ATOM 1334 C VAL A 88 3.850 -1.107 -4.249 1.00 0.00 C ATOM 1335 O VAL A 88 3.536 0.023 -4.608 1.00 0.00 O ATOM 1336 CB VAL A 88 2.780 -2.615 -5.969 1.00 0.00 C ATOM 1337 CG1 VAL A 88 4.143 -2.942 -6.575 1.00 0.00 C ATOM 1338 CG2 VAL A 88 1.818 -3.755 -6.252 1.00 0.00 C ATOM 0 H VAL A 88 0.842 -1.692 -4.516 1.00 0.00 H new ATOM 0 HA VAL A 88 3.276 -3.149 -3.911 1.00 0.00 H new ATOM 0 HB VAL A 88 2.394 -1.710 -6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.026 -3.164 -7.636 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.809 -2.088 -6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.568 -3.808 -6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.785 -3.945 -7.325 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.156 -4.653 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.822 -3.486 -5.900 1.00 0.00 H new ATOM 1348 N ALA A 89 5.015 -1.410 -3.639 1.00 0.00 N ATOM 1349 CA ALA A 89 6.107 -0.454 -3.412 1.00 0.00 C ATOM 1350 C ALA A 89 7.438 -1.210 -3.458 1.00 0.00 C ATOM 1351 O ALA A 89 7.806 -1.889 -2.490 1.00 0.00 O ATOM 1352 CB ALA A 89 5.933 0.276 -2.079 1.00 0.00 C ATOM 0 H ALA A 89 5.222 -2.344 -3.286 1.00 0.00 H new ATOM 0 HA ALA A 89 6.093 0.305 -4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.756 0.977 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.989 0.821 -2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.930 -0.449 -1.265 1.00 0.00 H new ATOM 1358 N LEU A 90 8.149 -1.114 -4.590 1.00 0.00 N ATOM 1359 CA LEU A 90 9.424 -1.832 -4.751 1.00 0.00 C ATOM 1360 C LEU A 90 10.550 -0.915 -5.200 1.00 0.00 C ATOM 1361 O LEU A 90 10.307 0.041 -5.916 1.00 0.00 O ATOM 1362 CB LEU A 90 9.271 -3.016 -5.742 1.00 0.00 C ATOM 1363 CG LEU A 90 8.947 -2.719 -7.239 1.00 0.00 C ATOM 1364 CD1 LEU A 90 8.584 -4.003 -7.963 1.00 0.00 C ATOM 1365 CD2 LEU A 90 7.816 -1.710 -7.424 1.00 0.00 C ATOM 0 H LEU A 90 7.870 -0.556 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 90 9.691 -2.222 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.198 -3.589 -5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.484 -3.665 -5.359 1.00 0.00 H new ATOM 0 HG LEU A 90 9.851 -2.280 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.360 -3.782 -9.007 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.421 -4.699 -7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.710 -4.452 -7.492 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.642 -1.549 -8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.907 -2.094 -6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.091 -0.765 -6.954 1.00 0.00 H new ATOM 1377 N GLY A 91 11.772 -1.196 -4.726 1.00 0.00 N ATOM 1378 CA GLY A 91 12.948 -0.413 -5.121 1.00 0.00 C ATOM 1379 C GLY A 91 13.014 0.964 -4.479 1.00 0.00 C ATOM 1380 O GLY A 91 12.989 1.080 -3.253 1.00 0.00 O ATOM 0 H GLY A 91 11.970 -1.954 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.848 -0.969 -4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 91 12.949 -0.298 -6.205 1.00 0.00 H new ATOM 1384 N HIS A 92 13.092 2.007 -5.324 1.00 0.00 N ATOM 1385 CA HIS A 92 13.159 3.415 -4.853 1.00 0.00 C ATOM 1386 C HIS A 92 11.845 3.805 -4.180 1.00 0.00 C ATOM 1387 O HIS A 92 10.992 4.495 -4.750 1.00 0.00 O ATOM 1388 CB HIS A 92 13.474 4.371 -6.007 1.00 0.00 C ATOM 1389 CG HIS A 92 13.777 5.783 -5.587 1.00 0.00 C ATOM 1390 ND1 HIS A 92 15.060 6.282 -5.495 1.00 0.00 N ATOM 1391 CD2 HIS A 92 12.954 6.800 -5.238 1.00 0.00 C ATOM 1392 CE1 HIS A 92 15.012 7.544 -5.107 1.00 0.00 C ATOM 1393 NE2 HIS A 92 13.746 7.882 -4.945 1.00 0.00 N ATOM 0 H HIS A 92 13.111 1.908 -6.339 1.00 0.00 H new ATOM 0 HA HIS A 92 13.967 3.493 -4.126 1.00 0.00 H new ATOM 0 HB2 HIS A 92 14.327 3.980 -6.562 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.626 4.384 -6.692 1.00 0.00 H new ATOM 0 HD2 HIS A 92 11.875 6.766 -5.198 1.00 0.00 H new ATOM 0 HE1 HIS A 92 15.863 8.189 -4.949 1.00 0.00 H new ATOM 0 HE2 HIS A 92 13.411 8.799 -4.650 1.00 0.00 H new ATOM 1402 N THR A 93 11.713 3.328 -2.962 1.00 0.00 N ATOM 1403 CA THR A 93 10.523 3.536 -2.153 1.00 0.00 C ATOM 1404 C THR A 93 10.943 3.988 -0.742 1.00 0.00 C ATOM 1405 O THR A 93 11.543 3.198 -0.007 1.00 0.00 O ATOM 1406 CB THR A 93 9.672 2.227 -2.122 1.00 0.00 C ATOM 1407 OG1 THR A 93 10.345 1.208 -1.368 1.00 0.00 O ATOM 1408 CG2 THR A 93 9.434 1.718 -3.547 1.00 0.00 C ATOM 0 H THR A 93 12.435 2.778 -2.496 1.00 0.00 H new ATOM 0 HA THR A 93 9.901 4.319 -2.585 1.00 0.00 H new ATOM 0 HB THR A 93 8.716 2.454 -1.649 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.945 1.626 -0.716 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.840 0.805 -3.513 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.901 2.477 -4.120 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.392 1.510 -4.024 1.00 0.00 H new ATOM 1416 N PRO A 94 10.652 5.272 -0.338 1.00 0.00 N ATOM 1417 CA PRO A 94 11.065 5.806 0.983 1.00 0.00 C ATOM 1418 C PRO A 94 10.406 5.090 2.173 1.00 0.00 C ATOM 1419 O PRO A 94 9.411 5.561 2.739 1.00 0.00 O ATOM 1420 CB PRO A 94 10.663 7.290 0.919 1.00 0.00 C ATOM 1421 CG PRO A 94 9.599 7.373 -0.120 1.00 0.00 C ATOM 1422 CD PRO A 94 9.900 6.292 -1.121 1.00 0.00 C ATOM 0 HA PRO A 94 12.130 5.653 1.157 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.296 7.639 1.884 1.00 0.00 H new ATOM 0 HB3 PRO A 94 11.516 7.916 0.657 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.613 7.230 0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.596 8.354 -0.596 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.986 5.875 -1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.493 6.673 -1.953 1.00 0.00 H new ATOM 1430 N VAL A 95 10.985 3.936 2.530 1.00 0.00 N ATOM 1431 CA VAL A 95 10.500 3.107 3.642 1.00 0.00 C ATOM 1432 C VAL A 95 11.615 2.219 4.202 1.00 0.00 C ATOM 1433 O VAL A 95 11.817 2.157 5.419 1.00 0.00 O ATOM 1434 CB VAL A 95 9.294 2.197 3.246 1.00 0.00 C ATOM 1435 CG1 VAL A 95 7.992 2.980 3.284 1.00 0.00 C ATOM 1436 CG2 VAL A 95 9.474 1.551 1.868 1.00 0.00 C ATOM 0 H VAL A 95 11.802 3.551 2.057 1.00 0.00 H new ATOM 0 HA VAL A 95 10.163 3.812 4.402 1.00 0.00 H new ATOM 0 HB VAL A 95 9.255 1.394 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.166 2.326 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.827 3.363 4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.048 3.813 2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.608 0.929 1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.570 2.329 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.373 0.934 1.870 1.00 0.00 H new ATOM 1446 N GLY A 96 12.332 1.544 3.294 1.00 0.00 N ATOM 1447 CA GLY A 96 13.403 0.639 3.683 1.00 0.00 C ATOM 1448 C GLY A 96 14.773 1.274 3.691 1.00 0.00 C ATOM 1449 O GLY A 96 15.205 1.860 2.693 1.00 0.00 O ATOM 0 H GLY A 96 12.184 1.613 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.190 0.247 4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.412 -0.211 3.001 1.00 0.00 H new ATOM 1453 N GLY A 97 15.451 1.149 4.839 1.00 0.00 N ATOM 1454 CA GLY A 97 16.812 1.661 4.994 1.00 0.00 C ATOM 1455 C GLY A 97 17.840 0.652 4.496 1.00 0.00 C ATOM 1456 O GLY A 97 19.048 0.825 4.681 1.00 0.00 O ATOM 0 H GLY A 97 15.076 0.697 5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.917 2.595 4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.001 1.889 6.043 1.00 0.00 H new ATOM 1460 N ILE A 98 17.318 -0.404 3.858 1.00 0.00 N ATOM 1461 CA ILE A 98 18.101 -1.493 3.280 1.00 0.00 C ATOM 1462 C ILE A 98 18.566 -1.090 1.857 1.00 0.00 C ATOM 1463 O ILE A 98 18.226 0.001 1.393 1.00 0.00 O ATOM 1464 CB ILE A 98 17.250 -2.834 3.312 1.00 0.00 C ATOM 1465 CG1 ILE A 98 17.747 -3.923 2.342 1.00 0.00 C ATOM 1466 CG2 ILE A 98 15.763 -2.569 3.058 1.00 0.00 C ATOM 1467 CD1 ILE A 98 18.934 -4.715 2.854 1.00 0.00 C ATOM 0 H ILE A 98 16.313 -0.523 3.729 1.00 0.00 H new ATOM 0 HA ILE A 98 19.001 -1.681 3.865 1.00 0.00 H new ATOM 0 HB ILE A 98 17.389 -3.219 4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 98 16.927 -4.611 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 98 18.017 -3.455 1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 98 15.215 -3.511 3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.376 -1.900 3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.638 -2.107 2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 98 19.221 -5.460 2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 98 19.771 -4.041 3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 98 18.664 -5.214 3.784 1.00 0.00 H new ATOM 1479 N PHE A 99 19.370 -1.941 1.197 1.00 0.00 N ATOM 1480 CA PHE A 99 19.856 -1.650 -0.156 1.00 0.00 C ATOM 1481 C PHE A 99 19.689 -2.856 -1.092 1.00 0.00 C ATOM 1482 O PHE A 99 20.569 -3.721 -1.185 1.00 0.00 O ATOM 1483 CB PHE A 99 21.328 -1.210 -0.110 1.00 0.00 C ATOM 1484 CG PHE A 99 21.546 0.127 0.545 1.00 0.00 C ATOM 1485 CD1 PHE A 99 21.777 0.215 1.909 1.00 0.00 C ATOM 1486 CD2 PHE A 99 21.519 1.293 -0.203 1.00 0.00 C ATOM 1487 CE1 PHE A 99 21.978 1.442 2.514 1.00 0.00 C ATOM 1488 CE2 PHE A 99 21.718 2.522 0.396 1.00 0.00 C ATOM 1489 CZ PHE A 99 21.948 2.597 1.756 1.00 0.00 C ATOM 0 H PHE A 99 19.694 -2.830 1.578 1.00 0.00 H new ATOM 0 HA PHE A 99 19.252 -0.836 -0.556 1.00 0.00 H new ATOM 0 HB2 PHE A 99 21.905 -1.964 0.425 1.00 0.00 H new ATOM 0 HB3 PHE A 99 21.718 -1.173 -1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 99 21.800 -0.685 2.506 1.00 0.00 H new ATOM 0 HD2 PHE A 99 21.340 1.241 -1.267 1.00 0.00 H new ATOM 0 HE1 PHE A 99 22.158 1.498 3.577 1.00 0.00 H new ATOM 0 HE2 PHE A 99 21.694 3.423 -0.199 1.00 0.00 H new ATOM 0 HZ PHE A 99 22.104 3.557 2.226 1.00 0.00 H new ATOM 1499 N ASP A 100 18.530 -2.900 -1.776 1.00 0.00 N ATOM 1500 CA ASP A 100 18.197 -3.947 -2.749 1.00 0.00 C ATOM 1501 C ASP A 100 17.129 -3.448 -3.723 1.00 0.00 C ATOM 1502 O ASP A 100 16.034 -3.088 -3.314 1.00 0.00 O ATOM 1503 CB ASP A 100 17.667 -5.217 -2.056 1.00 0.00 C ATOM 1504 CG ASP A 100 18.745 -5.997 -1.330 1.00 0.00 C ATOM 1505 OD1 ASP A 100 19.489 -6.744 -1.999 1.00 0.00 O ATOM 1506 OD2 ASP A 100 18.846 -5.860 -0.092 1.00 0.00 O ATOM 0 H ASP A 100 17.795 -2.202 -1.665 1.00 0.00 H new ATOM 0 HA ASP A 100 19.115 -4.190 -3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 100 16.889 -4.937 -1.345 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.201 -5.862 -2.801 1.00 0.00 H new ATOM 1511 N LEU A 101 17.432 -3.484 -5.018 1.00 0.00 N ATOM 1512 CA LEU A 101 16.477 -3.068 -6.051 1.00 0.00 C ATOM 1513 C LEU A 101 16.106 -4.273 -6.910 1.00 0.00 C ATOM 1514 O LEU A 101 16.986 -4.969 -7.419 1.00 0.00 O ATOM 1515 CB LEU A 101 17.070 -1.957 -6.923 1.00 0.00 C ATOM 1516 CG LEU A 101 16.263 -0.651 -7.021 1.00 0.00 C ATOM 1517 CD1 LEU A 101 16.352 0.160 -5.730 1.00 0.00 C ATOM 1518 CD2 LEU A 101 16.770 0.174 -8.192 1.00 0.00 C ATOM 0 H LEU A 101 18.332 -3.797 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 101 15.582 -2.676 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 101 18.062 -1.716 -6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.204 -2.350 -7.931 1.00 0.00 H new ATOM 0 HG LEU A 101 15.216 -0.908 -7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.770 1.076 -5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.956 -0.429 -4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 101 17.393 0.412 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 101 16.197 1.099 -8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 101 17.824 0.410 -8.042 1.00 0.00 H new ATOM 0 HD23 LEU A 101 16.653 -0.394 -9.115 1.00 0.00 H new ATOM 1530 N LYS A 102 14.811 -4.591 -6.970 1.00 0.00 N ATOM 1531 CA LYS A 102 14.352 -5.713 -7.781 1.00 0.00 C ATOM 1532 C LYS A 102 13.930 -5.283 -9.192 1.00 0.00 C ATOM 1533 O LYS A 102 12.927 -4.585 -9.380 1.00 0.00 O ATOM 1534 CB LYS A 102 13.239 -6.497 -7.046 1.00 0.00 C ATOM 1535 CG LYS A 102 11.863 -5.818 -7.006 1.00 0.00 C ATOM 1536 CD LYS A 102 10.784 -6.685 -7.650 1.00 0.00 C ATOM 1537 CE LYS A 102 9.881 -7.322 -6.604 1.00 0.00 C ATOM 1538 NZ LYS A 102 8.790 -8.123 -7.225 1.00 0.00 N ATOM 0 H LYS A 102 14.073 -4.093 -6.473 1.00 0.00 H new ATOM 0 HA LYS A 102 15.197 -6.388 -7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 102 13.130 -7.471 -7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.564 -6.679 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.591 -5.608 -5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.915 -4.860 -7.523 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.185 -6.077 -8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.253 -7.465 -8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.476 -7.962 -5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.447 -6.544 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.876 -7.838 -6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.780 -7.958 -8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.951 -9.133 -7.038 1.00 0.00 H new ATOM 1552 N VAL A 103 14.742 -5.684 -10.174 1.00 0.00 N ATOM 1553 CA VAL A 103 14.478 -5.387 -11.584 1.00 0.00 C ATOM 1554 C VAL A 103 14.891 -6.603 -12.441 1.00 0.00 C ATOM 1555 O VAL A 103 16.033 -6.691 -12.915 1.00 0.00 O ATOM 1556 CB VAL A 103 15.205 -4.088 -12.083 1.00 0.00 C ATOM 1557 CG1 VAL A 103 14.815 -3.743 -13.520 1.00 0.00 C ATOM 1558 CG2 VAL A 103 14.902 -2.895 -11.178 1.00 0.00 C ATOM 0 H VAL A 103 15.595 -6.220 -10.016 1.00 0.00 H new ATOM 0 HA VAL A 103 13.410 -5.196 -11.689 1.00 0.00 H new ATOM 0 HB VAL A 103 16.274 -4.297 -12.048 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.337 -2.838 -13.832 1.00 0.00 H new ATOM 0 HG12 VAL A 103 15.090 -4.566 -14.179 1.00 0.00 H new ATOM 0 HG13 VAL A 103 13.739 -3.578 -13.575 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.421 -2.013 -11.553 1.00 0.00 H new ATOM 0 HG22 VAL A 103 13.828 -2.708 -11.170 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.240 -3.112 -10.165 1.00 0.00 H new ATOM 1568 N GLY A 104 13.960 -7.566 -12.577 1.00 0.00 N ATOM 1569 CA GLY A 104 14.185 -8.782 -13.375 1.00 0.00 C ATOM 1570 C GLY A 104 15.451 -9.547 -13.026 1.00 0.00 C ATOM 1571 O GLY A 104 15.483 -10.282 -12.037 1.00 0.00 O ATOM 0 H GLY A 104 13.039 -7.523 -12.140 1.00 0.00 H new ATOM 0 HA2 GLY A 104 13.330 -9.446 -13.249 1.00 0.00 H new ATOM 0 HA3 GLY A 104 14.222 -8.506 -14.429 1.00 0.00 H new ATOM 1575 N SER A 105 16.495 -9.374 -13.856 1.00 0.00 N ATOM 1576 CA SER A 105 17.794 -10.031 -13.638 1.00 0.00 C ATOM 1577 C SER A 105 18.585 -9.313 -12.527 1.00 0.00 C ATOM 1578 O SER A 105 19.785 -9.539 -12.331 1.00 0.00 O ATOM 1579 CB SER A 105 18.595 -10.058 -14.946 1.00 0.00 C ATOM 1580 OG SER A 105 18.726 -8.757 -15.495 1.00 0.00 O ATOM 0 H SER A 105 16.463 -8.782 -14.686 1.00 0.00 H new ATOM 0 HA SER A 105 17.619 -11.058 -13.317 1.00 0.00 H new ATOM 0 HB2 SER A 105 19.583 -10.479 -14.761 1.00 0.00 H new ATOM 0 HB3 SER A 105 18.100 -10.711 -15.665 1.00 0.00 H new ATOM 0 HG SER A 105 19.242 -8.803 -16.327 1.00 0.00 H new ATOM 1586 N THR A 106 17.857 -8.462 -11.804 1.00 0.00 N ATOM 1587 CA THR A 106 18.372 -7.672 -10.696 1.00 0.00 C ATOM 1588 C THR A 106 17.301 -7.668 -9.605 1.00 0.00 C ATOM 1589 O THR A 106 17.159 -6.714 -8.843 1.00 0.00 O ATOM 1590 CB THR A 106 18.646 -6.219 -11.149 1.00 0.00 C ATOM 1591 OG1 THR A 106 19.097 -6.200 -12.506 1.00 0.00 O ATOM 1592 CG2 THR A 106 19.681 -5.535 -10.260 1.00 0.00 C ATOM 0 H THR A 106 16.865 -8.302 -11.981 1.00 0.00 H new ATOM 0 HA THR A 106 19.307 -8.098 -10.333 1.00 0.00 H new ATOM 0 HB THR A 106 17.708 -5.670 -11.065 1.00 0.00 H new ATOM 0 HG1 THR A 106 18.333 -6.327 -13.106 1.00 0.00 H new ATOM 0 HG21 THR A 106 19.846 -4.516 -10.611 1.00 0.00 H new ATOM 0 HG22 THR A 106 19.319 -5.511 -9.232 1.00 0.00 H new ATOM 0 HG23 THR A 106 20.619 -6.089 -10.301 1.00 0.00 H new ATOM 1600 N LYS A 107 16.564 -8.775 -9.547 1.00 0.00 N ATOM 1601 CA LYS A 107 15.447 -8.953 -8.631 1.00 0.00 C ATOM 1602 C LYS A 107 15.877 -9.086 -7.149 1.00 0.00 C ATOM 1603 O LYS A 107 16.081 -10.193 -6.637 1.00 0.00 O ATOM 1604 CB LYS A 107 14.638 -10.161 -9.121 1.00 0.00 C ATOM 1605 CG LYS A 107 13.169 -10.148 -8.723 1.00 0.00 C ATOM 1606 CD LYS A 107 12.378 -11.204 -9.489 1.00 0.00 C ATOM 1607 CE LYS A 107 10.961 -10.740 -9.794 1.00 0.00 C ATOM 1608 NZ LYS A 107 10.078 -10.803 -8.595 1.00 0.00 N ATOM 0 H LYS A 107 16.731 -9.584 -10.145 1.00 0.00 H new ATOM 0 HA LYS A 107 14.828 -8.056 -8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 107 14.705 -10.209 -10.208 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.097 -11.070 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.079 -10.329 -7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.746 -9.162 -8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.892 -11.438 -10.421 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.341 -12.124 -8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.988 -9.717 -10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.540 -11.359 -10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.123 -10.478 -8.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.030 -11.783 -8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.464 -10.192 -7.847 1.00 0.00 H new ATOM 1622 N HIS A 108 16.024 -7.920 -6.484 1.00 0.00 N ATOM 1623 CA HIS A 108 16.375 -7.843 -5.059 1.00 0.00 C ATOM 1624 C HIS A 108 15.608 -6.664 -4.468 1.00 0.00 C ATOM 1625 O HIS A 108 15.973 -5.533 -4.687 1.00 0.00 O ATOM 1626 CB HIS A 108 17.890 -7.650 -4.826 1.00 0.00 C ATOM 1627 CG HIS A 108 18.779 -8.503 -5.687 1.00 0.00 C ATOM 1628 ND1 HIS A 108 18.670 -9.875 -5.766 1.00 0.00 N ATOM 1629 CD2 HIS A 108 19.785 -8.159 -6.527 1.00 0.00 C ATOM 1630 CE1 HIS A 108 19.570 -10.338 -6.617 1.00 0.00 C ATOM 1631 NE2 HIS A 108 20.258 -9.317 -7.092 1.00 0.00 N ATOM 0 H HIS A 108 15.902 -7.008 -6.925 1.00 0.00 H new ATOM 0 HA HIS A 108 16.109 -8.784 -4.578 1.00 0.00 H new ATOM 0 HB2 HIS A 108 18.138 -6.603 -4.999 1.00 0.00 H new ATOM 0 HB3 HIS A 108 18.111 -7.862 -3.780 1.00 0.00 H new ATOM 0 HD1 HIS A 108 18.000 -10.444 -5.249 1.00 0.00 H new ATOM 0 HD2 HIS A 108 20.147 -7.159 -6.717 1.00 0.00 H new ATOM 0 HE1 HIS A 108 19.717 -11.375 -6.879 1.00 0.00 H new ATOM 1640 N THR A 109 14.555 -6.926 -3.715 1.00 0.00 N ATOM 1641 CA THR A 109 13.715 -5.843 -3.180 1.00 0.00 C ATOM 1642 C THR A 109 14.053 -5.404 -1.756 1.00 0.00 C ATOM 1643 O THR A 109 14.163 -6.220 -0.845 1.00 0.00 O ATOM 1644 CB THR A 109 12.214 -6.229 -3.221 1.00 0.00 C ATOM 1645 OG1 THR A 109 11.954 -7.140 -4.292 1.00 0.00 O ATOM 1646 CG2 THR A 109 11.314 -5.001 -3.372 1.00 0.00 C ATOM 0 H THR A 109 14.254 -7.866 -3.456 1.00 0.00 H new ATOM 0 HA THR A 109 13.928 -4.999 -3.836 1.00 0.00 H new ATOM 0 HB THR A 109 11.985 -6.709 -2.270 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.451 -7.909 -3.952 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.271 -5.315 -3.397 1.00 0.00 H new ATOM 0 HG22 THR A 109 11.471 -4.329 -2.528 1.00 0.00 H new ATOM 0 HG23 THR A 109 11.559 -4.482 -4.299 1.00 0.00 H new ATOM 1654 N LEU A 110 14.220 -4.082 -1.609 1.00 0.00 N ATOM 1655 CA LEU A 110 14.458 -3.448 -0.312 1.00 0.00 C ATOM 1656 C LEU A 110 13.175 -2.697 0.131 1.00 0.00 C ATOM 1657 O LEU A 110 12.924 -1.570 -0.306 1.00 0.00 O ATOM 1658 CB LEU A 110 15.687 -2.480 -0.428 1.00 0.00 C ATOM 1659 CG LEU A 110 15.452 -1.037 -0.980 1.00 0.00 C ATOM 1660 CD1 LEU A 110 16.755 -0.269 -1.062 1.00 0.00 C ATOM 1661 CD2 LEU A 110 14.796 -1.036 -2.354 1.00 0.00 C ATOM 0 H LEU A 110 14.193 -3.425 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 110 14.689 -4.197 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 110 16.130 -2.387 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 110 16.429 -2.962 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 110 14.776 -0.552 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 110 16.564 0.732 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 110 17.197 -0.195 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 110 17.443 -0.790 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 110 14.656 -0.008 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 110 15.434 -1.565 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.828 -1.534 -2.295 1.00 0.00 H new ATOM 1673 N GLN A 111 12.323 -3.314 0.967 1.00 0.00 N ATOM 1674 CA GLN A 111 11.110 -2.609 1.407 1.00 0.00 C ATOM 1675 C GLN A 111 10.701 -3.002 2.827 1.00 0.00 C ATOM 1676 O GLN A 111 9.999 -3.994 3.048 1.00 0.00 O ATOM 1677 CB GLN A 111 9.965 -2.847 0.396 1.00 0.00 C ATOM 1678 CG GLN A 111 8.885 -1.763 0.381 1.00 0.00 C ATOM 1679 CD GLN A 111 7.869 -1.917 1.499 1.00 0.00 C ATOM 1680 OE1 GLN A 111 8.045 -1.378 2.591 1.00 0.00 O ATOM 1681 NE2 GLN A 111 6.800 -2.657 1.229 1.00 0.00 N ATOM 0 H GLN A 111 12.443 -4.257 1.337 1.00 0.00 H new ATOM 0 HA GLN A 111 11.330 -1.542 1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 111 10.393 -2.927 -0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.495 -3.805 0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.359 -0.785 0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 111 8.367 -1.788 -0.578 1.00 0.00 H new ATOM 0 HE21 GLN A 111 6.695 -3.085 0.309 1.00 0.00 H new ATOM 0 HE22 GLN A 111 6.084 -2.797 1.941 1.00 0.00 H new ATOM 1690 N ALA A 112 11.171 -2.196 3.775 1.00 0.00 N ATOM 1691 CA ALA A 112 10.867 -2.371 5.193 1.00 0.00 C ATOM 1692 C ALA A 112 10.024 -1.217 5.722 1.00 0.00 C ATOM 1693 O ALA A 112 10.532 -0.099 5.878 1.00 0.00 O ATOM 1694 CB ALA A 112 12.150 -2.532 6.000 1.00 0.00 C ATOM 0 H ALA A 112 11.777 -1.399 3.581 1.00 0.00 H new ATOM 0 HA ALA A 112 10.280 -3.283 5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 112 11.903 -2.661 7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.696 -3.406 5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.770 -1.644 5.879 1.00 0.00 H new ATOM 1700 N ILE A 113 8.736 -1.468 5.984 1.00 0.00 N ATOM 1701 CA ILE A 113 7.874 -0.414 6.519 1.00 0.00 C ATOM 1702 C ILE A 113 7.310 -0.778 7.903 1.00 0.00 C ATOM 1703 O ILE A 113 7.681 -0.146 8.896 1.00 0.00 O ATOM 1704 CB ILE A 113 6.749 0.046 5.512 1.00 0.00 C ATOM 1705 CG1 ILE A 113 5.759 1.031 6.168 1.00 0.00 C ATOM 1706 CG2 ILE A 113 5.998 -1.117 4.871 1.00 0.00 C ATOM 1707 CD1 ILE A 113 6.233 2.471 6.202 1.00 0.00 C ATOM 0 H ILE A 113 8.279 -2.368 5.838 1.00 0.00 H new ATOM 0 HA ILE A 113 8.515 0.457 6.655 1.00 0.00 H new ATOM 0 HB ILE A 113 7.274 0.564 4.710 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.812 0.986 5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.562 0.703 7.189 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.240 -0.730 4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.699 -1.741 4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.518 -1.713 5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.475 3.092 6.680 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.163 2.535 6.766 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.401 2.823 5.184 1.00 0.00 H new ATOM 1719 N GLU A 114 6.420 -1.782 7.976 1.00 0.00 N ATOM 1720 CA GLU A 114 5.796 -2.174 9.270 1.00 0.00 C ATOM 1721 C GLU A 114 5.155 -3.568 9.152 1.00 0.00 C ATOM 1722 O GLU A 114 5.380 -4.259 8.168 1.00 0.00 O ATOM 1723 CB GLU A 114 4.771 -1.052 9.682 1.00 0.00 C ATOM 1724 CG GLU A 114 3.530 -1.478 10.479 1.00 0.00 C ATOM 1725 CD GLU A 114 3.765 -1.487 11.977 1.00 0.00 C ATOM 1726 OE1 GLU A 114 4.117 -2.557 12.517 1.00 0.00 O ATOM 1727 OE2 GLU A 114 3.596 -0.424 12.611 1.00 0.00 O ATOM 0 H GLU A 114 6.115 -2.334 7.175 1.00 0.00 H new ATOM 0 HA GLU A 114 6.544 -2.255 10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.307 -0.307 10.269 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.432 -0.557 8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.707 -0.801 10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.223 -2.473 10.159 1.00 0.00 H new ATOM 1734 N THR A 115 4.452 -4.017 10.201 1.00 0.00 N ATOM 1735 CA THR A 115 3.727 -5.280 10.150 1.00 0.00 C ATOM 1736 C THR A 115 2.244 -4.997 10.449 1.00 0.00 C ATOM 1737 O THR A 115 1.763 -5.189 11.573 1.00 0.00 O ATOM 1738 CB THR A 115 4.301 -6.321 11.151 1.00 0.00 C ATOM 1739 OG1 THR A 115 5.718 -6.149 11.287 1.00 0.00 O ATOM 1740 CG2 THR A 115 4.015 -7.747 10.689 1.00 0.00 C ATOM 0 H THR A 115 4.374 -3.521 11.089 1.00 0.00 H new ATOM 0 HA THR A 115 3.837 -5.713 9.156 1.00 0.00 H new ATOM 0 HB THR A 115 3.814 -6.158 12.112 1.00 0.00 H new ATOM 0 HG1 THR A 115 6.068 -6.809 11.921 1.00 0.00 H new ATOM 0 HG21 THR A 115 4.429 -8.453 11.409 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.938 -7.896 10.613 1.00 0.00 H new ATOM 0 HG23 THR A 115 4.474 -7.913 9.714 1.00 0.00 H new ATOM 1748 N ARG A 116 1.542 -4.513 9.414 1.00 0.00 N ATOM 1749 CA ARG A 116 0.114 -4.186 9.496 1.00 0.00 C ATOM 1750 C ARG A 116 -0.618 -4.749 8.279 1.00 0.00 C ATOM 1751 O ARG A 116 -0.247 -4.442 7.147 1.00 0.00 O ATOM 1752 CB ARG A 116 -0.082 -2.662 9.586 1.00 0.00 C ATOM 1753 CG ARG A 116 -1.314 -2.232 10.382 1.00 0.00 C ATOM 1754 CD ARG A 116 -1.022 -2.145 11.875 1.00 0.00 C ATOM 1755 NE ARG A 116 -2.203 -1.734 12.643 1.00 0.00 N ATOM 1756 CZ ARG A 116 -2.242 -1.617 13.979 1.00 0.00 C ATOM 1757 NH1 ARG A 116 -1.170 -1.876 14.725 1.00 0.00 N ATOM 1758 NH2 ARG A 116 -3.366 -1.237 14.569 1.00 0.00 N ATOM 0 H ARG A 116 1.950 -4.338 8.496 1.00 0.00 H new ATOM 0 HA ARG A 116 -0.302 -4.638 10.396 1.00 0.00 H new ATOM 0 HB2 ARG A 116 0.804 -2.220 10.043 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -0.156 -2.257 8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -1.659 -1.263 10.022 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -2.123 -2.942 10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -0.676 -3.114 12.234 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -0.213 -1.434 12.045 1.00 0.00 H new ATOM 0 HE ARG A 116 -3.055 -1.522 12.124 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -0.299 -2.169 14.282 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -1.220 -1.781 15.739 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -4.194 -1.036 14.008 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -3.403 -1.146 15.584 1.00 0.00 H new ATOM 1772 N VAL A 117 -1.634 -5.582 8.521 1.00 0.00 N ATOM 1773 CA VAL A 117 -2.415 -6.202 7.445 1.00 0.00 C ATOM 1774 C VAL A 117 -3.939 -6.020 7.628 1.00 0.00 C ATOM 1775 O VAL A 117 -4.571 -6.837 8.311 1.00 0.00 O ATOM 1776 CB VAL A 117 -2.094 -7.732 7.306 1.00 0.00 C ATOM 1777 CG1 VAL A 117 -0.764 -7.954 6.603 1.00 0.00 C ATOM 1778 CG2 VAL A 117 -2.085 -8.453 8.660 1.00 0.00 C ATOM 0 H VAL A 117 -1.937 -5.844 9.459 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.118 -5.683 6.534 1.00 0.00 H new ATOM 0 HB VAL A 117 -2.896 -8.158 6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.569 -9.023 6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.802 -7.515 5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.034 -7.483 7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.858 -9.508 8.509 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.327 -8.008 9.304 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -3.064 -8.356 9.130 1.00 0.00 H new ATOM 1788 N LEU A 118 -4.547 -4.958 7.059 1.00 0.00 N ATOM 1789 CA LEU A 118 -5.998 -4.821 7.169 1.00 0.00 C ATOM 1790 C LEU A 118 -6.637 -5.168 5.827 1.00 0.00 C ATOM 1791 O LEU A 118 -6.398 -4.488 4.826 1.00 0.00 O ATOM 1792 CB LEU A 118 -6.410 -3.415 7.645 1.00 0.00 C ATOM 1793 CG LEU A 118 -6.277 -3.099 9.160 1.00 0.00 C ATOM 1794 CD1 LEU A 118 -6.993 -4.130 10.033 1.00 0.00 C ATOM 1795 CD2 LEU A 118 -4.812 -2.975 9.572 1.00 0.00 C ATOM 0 H LEU A 118 -4.073 -4.217 6.542 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.358 -5.516 7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -5.813 -2.687 7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.450 -3.255 7.359 1.00 0.00 H new ATOM 0 HG LEU A 118 -6.766 -2.138 9.322 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -6.871 -3.865 11.083 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.054 -4.144 9.783 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.565 -5.117 9.856 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -4.751 -2.754 10.638 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.296 -3.913 9.366 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -4.342 -2.170 9.007 1.00 0.00 H new ATOM 1807 N ALA A 119 -7.431 -6.257 5.818 1.00 0.00 N ATOM 1808 CA ALA A 119 -8.099 -6.772 4.603 1.00 0.00 C ATOM 1809 C ALA A 119 -8.892 -5.704 3.847 1.00 0.00 C ATOM 1810 O ALA A 119 -9.947 -5.248 4.306 1.00 0.00 O ATOM 1811 CB ALA A 119 -8.991 -7.952 4.966 1.00 0.00 C ATOM 0 H ALA A 119 -7.628 -6.806 6.654 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.313 -7.099 3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.481 -8.328 4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.385 -8.744 5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.746 -7.630 5.683 1.00 0.00 H new ATOM 1817 N GLY A 120 -8.350 -5.301 2.683 1.00 0.00 N ATOM 1818 CA GLY A 120 -8.987 -4.288 1.864 1.00 0.00 C ATOM 1819 C GLY A 120 -8.532 -2.895 2.240 1.00 0.00 C ATOM 1820 O GLY A 120 -8.759 -1.930 1.506 1.00 0.00 O ATOM 0 H GLY A 120 -7.478 -5.667 2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.760 -4.474 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -10.069 -4.359 1.974 1.00 0.00 H new ATOM 1824 N SER A 121 -7.892 -2.812 3.402 1.00 0.00 N ATOM 1825 CA SER A 121 -7.360 -1.583 3.919 1.00 0.00 C ATOM 1826 C SER A 121 -5.834 -1.625 3.821 1.00 0.00 C ATOM 1827 O SER A 121 -5.274 -2.514 3.168 1.00 0.00 O ATOM 1828 CB SER A 121 -7.867 -1.300 5.342 1.00 0.00 C ATOM 1829 OG SER A 121 -7.606 0.045 5.700 1.00 0.00 O ATOM 0 H SER A 121 -7.733 -3.615 4.010 1.00 0.00 H new ATOM 0 HA SER A 121 -7.716 -0.746 3.318 1.00 0.00 H new ATOM 0 HB2 SER A 121 -8.937 -1.497 5.400 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.381 -1.972 6.049 1.00 0.00 H new ATOM 0 HG SER A 121 -7.397 0.563 4.895 1.00 0.00 H new ATOM 1835 N LYS A 122 -5.169 -0.672 4.461 1.00 0.00 N ATOM 1836 CA LYS A 122 -3.721 -0.525 4.382 1.00 0.00 C ATOM 1837 C LYS A 122 -2.952 -1.686 4.997 1.00 0.00 C ATOM 1838 O LYS A 122 -3.416 -2.366 5.928 1.00 0.00 O ATOM 1839 CB LYS A 122 -3.305 0.801 5.019 1.00 0.00 C ATOM 1840 CG LYS A 122 -3.859 2.010 4.262 1.00 0.00 C ATOM 1841 CD LYS A 122 -2.806 2.708 3.397 1.00 0.00 C ATOM 1842 CE LYS A 122 -2.719 2.104 2.000 1.00 0.00 C ATOM 1843 NZ LYS A 122 -1.711 2.800 1.153 1.00 0.00 N ATOM 0 H LYS A 122 -5.621 0.025 5.053 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.460 -0.530 3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.654 0.831 6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.217 0.861 5.049 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.686 1.688 3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.265 2.725 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -3.047 3.768 3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.833 2.637 3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -2.461 1.048 2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -3.696 2.159 1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.684 2.358 0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.971 3.803 1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.774 2.726 1.597 1.00 0.00 H new ATOM 1857 N MET A 123 -1.780 -1.911 4.407 1.00 0.00 N ATOM 1858 CA MET A 123 -0.860 -2.954 4.823 1.00 0.00 C ATOM 1859 C MET A 123 0.565 -2.485 4.621 1.00 0.00 C ATOM 1860 O MET A 123 0.959 -2.078 3.523 1.00 0.00 O ATOM 1861 CB MET A 123 -1.117 -4.261 4.049 1.00 0.00 C ATOM 1862 CG MET A 123 -0.104 -5.381 4.300 1.00 0.00 C ATOM 1863 SD MET A 123 0.644 -6.017 2.781 1.00 0.00 S ATOM 1864 CE MET A 123 1.880 -4.766 2.431 1.00 0.00 C ATOM 0 H MET A 123 -1.443 -1.363 3.616 1.00 0.00 H new ATOM 0 HA MET A 123 -1.022 -3.160 5.881 1.00 0.00 H new ATOM 0 HB2 MET A 123 -2.110 -4.628 4.308 1.00 0.00 H new ATOM 0 HB3 MET A 123 -1.128 -4.036 2.983 1.00 0.00 H new ATOM 0 HG2 MET A 123 0.683 -5.010 4.957 1.00 0.00 H new ATOM 0 HG3 MET A 123 -0.598 -6.199 4.824 1.00 0.00 H new ATOM 0 HE1 MET A 123 2.698 -5.211 1.865 1.00 0.00 H new ATOM 0 HE2 MET A 123 1.430 -3.963 1.848 1.00 0.00 H new ATOM 0 HE3 MET A 123 2.265 -4.362 3.368 1.00 0.00 H new ATOM 1874 N THR A 124 1.310 -2.538 5.705 1.00 0.00 N ATOM 1875 CA THR A 124 2.705 -2.170 5.710 1.00 0.00 C ATOM 1876 C THR A 124 3.485 -3.387 6.159 1.00 0.00 C ATOM 1877 O THR A 124 3.150 -3.995 7.177 1.00 0.00 O ATOM 1878 CB THR A 124 2.943 -0.958 6.626 1.00 0.00 C ATOM 1879 OG1 THR A 124 2.288 -1.166 7.880 1.00 0.00 O ATOM 1880 CG2 THR A 124 2.401 0.318 5.988 1.00 0.00 C ATOM 0 H THR A 124 0.959 -2.841 6.614 1.00 0.00 H new ATOM 0 HA THR A 124 3.037 -1.867 4.717 1.00 0.00 H new ATOM 0 HB THR A 124 4.017 -0.850 6.778 1.00 0.00 H new ATOM 0 HG1 THR A 124 2.262 -2.125 8.081 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.580 1.162 6.654 1.00 0.00 H new ATOM 0 HG22 THR A 124 2.905 0.492 5.037 1.00 0.00 H new ATOM 0 HG23 THR A 124 1.330 0.212 5.817 1.00 0.00 H new ATOM 1888 N VAL A 125 4.475 -3.774 5.355 1.00 0.00 N ATOM 1889 CA VAL A 125 5.270 -4.974 5.619 1.00 0.00 C ATOM 1890 C VAL A 125 6.777 -4.699 5.509 1.00 0.00 C ATOM 1891 O VAL A 125 7.207 -3.783 4.800 1.00 0.00 O ATOM 1892 CB VAL A 125 4.813 -6.099 4.641 1.00 0.00 C ATOM 1893 CG1 VAL A 125 5.806 -7.259 4.525 1.00 0.00 C ATOM 1894 CG2 VAL A 125 3.450 -6.638 5.056 1.00 0.00 C ATOM 0 H VAL A 125 4.747 -3.271 4.511 1.00 0.00 H new ATOM 0 HA VAL A 125 5.101 -5.298 6.646 1.00 0.00 H new ATOM 0 HB VAL A 125 4.757 -5.634 3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.418 -8.001 3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.763 -6.884 4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.945 -7.719 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 125 3.143 -7.423 4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 125 3.512 -7.047 6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.718 -5.831 5.036 1.00 0.00 H new ATOM 1904 N ALA A 126 7.567 -5.490 6.242 1.00 0.00 N ATOM 1905 CA ALA A 126 9.015 -5.377 6.188 1.00 0.00 C ATOM 1906 C ALA A 126 9.594 -6.622 5.524 1.00 0.00 C ATOM 1907 O ALA A 126 9.615 -7.708 6.117 1.00 0.00 O ATOM 1908 CB ALA A 126 9.595 -5.167 7.583 1.00 0.00 C ATOM 0 H ALA A 126 7.223 -6.211 6.876 1.00 0.00 H new ATOM 0 HA ALA A 126 9.287 -4.505 5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.680 -5.085 7.517 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.187 -4.252 8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.333 -6.014 8.217 1.00 0.00 H new ATOM 1914 N ARG A 127 10.047 -6.454 4.274 1.00 0.00 N ATOM 1915 CA ARG A 127 10.611 -7.557 3.495 1.00 0.00 C ATOM 1916 C ARG A 127 11.734 -7.096 2.563 1.00 0.00 C ATOM 1917 O ARG A 127 11.620 -6.067 1.877 1.00 0.00 O ATOM 1918 CB ARG A 127 9.510 -8.246 2.671 1.00 0.00 C ATOM 1919 CG ARG A 127 9.717 -9.744 2.492 1.00 0.00 C ATOM 1920 CD ARG A 127 8.597 -10.368 1.676 1.00 0.00 C ATOM 1921 NE ARG A 127 8.786 -11.812 1.496 1.00 0.00 N ATOM 1922 CZ ARG A 127 7.930 -12.621 0.854 1.00 0.00 C ATOM 1923 NH1 ARG A 127 6.807 -12.149 0.316 1.00 0.00 N ATOM 1924 NH2 ARG A 127 8.203 -13.915 0.752 1.00 0.00 N ATOM 0 H ARG A 127 10.032 -5.560 3.782 1.00 0.00 H new ATOM 0 HA ARG A 127 11.038 -8.263 4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 127 8.548 -8.078 3.156 1.00 0.00 H new ATOM 0 HB3 ARG A 127 9.458 -7.777 1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 127 10.672 -9.924 1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 127 9.768 -10.225 3.469 1.00 0.00 H new ATOM 0 HD2 ARG A 127 7.643 -10.186 2.171 1.00 0.00 H new ATOM 0 HD3 ARG A 127 8.547 -9.885 0.700 1.00 0.00 H new ATOM 0 HE ARG A 127 9.630 -12.231 1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 127 6.585 -11.156 0.388 1.00 0.00 H new ATOM 0 HH12 ARG A 127 6.169 -12.780 -0.168 1.00 0.00 H new ATOM 0 HH21 ARG A 127 9.059 -14.289 1.160 1.00 0.00 H new ATOM 0 HH22 ARG A 127 7.556 -14.536 0.265 1.00 0.00 H new ATOM 1938 N VAL A 128 12.825 -7.858 2.583 1.00 0.00 N ATOM 1939 CA VAL A 128 13.974 -7.618 1.715 1.00 0.00 C ATOM 1940 C VAL A 128 14.248 -8.884 0.886 1.00 0.00 C ATOM 1941 O VAL A 128 14.829 -9.851 1.389 1.00 0.00 O ATOM 1942 CB VAL A 128 15.244 -7.133 2.501 1.00 0.00 C ATOM 1943 CG1 VAL A 128 15.511 -7.970 3.747 1.00 0.00 C ATOM 1944 CG2 VAL A 128 16.486 -7.098 1.609 1.00 0.00 C ATOM 0 H VAL A 128 12.937 -8.660 3.203 1.00 0.00 H new ATOM 0 HA VAL A 128 13.732 -6.796 1.041 1.00 0.00 H new ATOM 0 HB VAL A 128 15.027 -6.115 2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 128 16.399 -7.594 4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 128 14.655 -7.906 4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 128 15.670 -9.009 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 128 17.342 -6.757 2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 128 16.685 -8.098 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.317 -6.414 0.777 1.00 0.00 H new ATOM 1954 N VAL A 129 13.813 -8.862 -0.381 1.00 0.00 N ATOM 1955 CA VAL A 129 13.994 -9.999 -1.295 1.00 0.00 C ATOM 1956 C VAL A 129 15.417 -10.003 -1.862 1.00 0.00 C ATOM 1957 O VAL A 129 15.790 -9.109 -2.623 1.00 0.00 O ATOM 1958 CB VAL A 129 12.949 -9.993 -2.459 1.00 0.00 C ATOM 1959 CG1 VAL A 129 12.963 -11.312 -3.231 1.00 0.00 C ATOM 1960 CG2 VAL A 129 11.540 -9.717 -1.940 1.00 0.00 C ATOM 0 H VAL A 129 13.331 -8.066 -0.798 1.00 0.00 H new ATOM 0 HA VAL A 129 13.832 -10.909 -0.717 1.00 0.00 H new ATOM 0 HB VAL A 129 13.237 -9.190 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 129 12.225 -11.273 -4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 129 13.953 -11.474 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 129 12.721 -12.132 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 129 10.838 -9.720 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 129 11.258 -10.490 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 129 11.517 -8.744 -1.450 1.00 0.00 H new