USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 744 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 61 SER OG : rot -173:sc= -0.234 USER MOD Set 1.2: A 63 CYS SG : rot -153:sc= 0.312 USER MOD Set 1.3: A 68 ASN :FLIP amide:sc= -1.87 F(o=-5.8!,f=-2.5) USER MOD Set 1.4: A 93 TYR OH : rot -179:sc= -0.755 USER MOD Set 2.1: A 9 HIS : no HD1:sc= -0.265 X(o=-0.26,f=-0.062) USER MOD Set 2.2: A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.176 (180deg=-0.935) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0229 X(o=-0.023,f=-0.23) USER MOD Single : A 6 HIS : no HD1:sc= -0.317 K(o=-0.32,f=-0.89!) USER MOD Single : A 7 HIS : no HD1:sc= -0.0516 X(o=-0.052,f=-0.24) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.9) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 100:sc= -3.07 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -60:sc= -0.0309 USER MOD Single : A 48 MET CE :methyl 161:sc= -0.0224 (180deg=-0.216) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 149:sc= -0.115 (180deg=-0.942) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.00608 USER MOD Single : A 69 ASN : amide:sc=-0.00345 K(o=-0.0035,f=-0.61) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 77 HIS : no HE2:sc= 1.02 K(o=1,f=-3.2!) USER MOD Single : A 79 TYR OH : rot 40:sc= -0.452 USER MOD Single : A 80 THR OG1 : rot 89:sc= -0.233 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.9!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.468 K(o=-0.47,f=-2.8!) USER MOD Single : A 97 LYS NZ :NH3+ 146:sc= -0.57 (180deg=-2.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -37.232 1.902 -5.418 1.00 0.00 N ATOM 2 CA MET A 1 -36.659 1.882 -4.047 1.00 0.00 C ATOM 3 C MET A 1 -37.120 0.650 -3.275 1.00 0.00 C ATOM 4 O MET A 1 -38.301 0.510 -2.959 1.00 0.00 O ATOM 5 CB MET A 1 -37.096 3.154 -3.317 1.00 0.00 C ATOM 6 CG MET A 1 -36.706 4.435 -4.037 1.00 0.00 C ATOM 7 SD MET A 1 -37.478 5.897 -3.317 1.00 0.00 S ATOM 8 CE MET A 1 -37.223 7.094 -4.626 1.00 0.00 C ATOM 0 H1 MET A 1 -36.617 2.461 -6.043 1.00 0.00 H new ATOM 0 H2 MET A 1 -37.301 0.929 -5.780 1.00 0.00 H new ATOM 0 H3 MET A 1 -38.180 2.330 -5.392 1.00 0.00 H new ATOM 0 HA MET A 1 -35.572 1.841 -4.115 1.00 0.00 H new ATOM 0 HB2 MET A 1 -38.178 3.135 -3.188 1.00 0.00 H new ATOM 0 HB3 MET A 1 -36.656 3.160 -2.320 1.00 0.00 H new ATOM 0 HG2 MET A 1 -35.622 4.549 -4.007 1.00 0.00 H new ATOM 0 HG3 MET A 1 -36.990 4.358 -5.087 1.00 0.00 H new ATOM 0 HE1 MET A 1 -37.647 8.053 -4.330 1.00 0.00 H new ATOM 0 HE2 MET A 1 -36.155 7.211 -4.809 1.00 0.00 H new ATOM 0 HE3 MET A 1 -37.712 6.747 -5.537 1.00 0.00 H new ATOM 20 N GLY A 2 -36.178 -0.240 -2.976 1.00 0.00 N ATOM 21 CA GLY A 2 -36.508 -1.450 -2.245 1.00 0.00 C ATOM 22 C GLY A 2 -36.455 -1.254 -0.742 1.00 0.00 C ATOM 23 O GLY A 2 -36.285 -2.213 0.009 1.00 0.00 O ATOM 0 H GLY A 2 -35.194 -0.145 -3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -37.507 -1.782 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -35.816 -2.242 -2.529 1.00 0.00 H new ATOM 27 N SER A 3 -36.605 -0.008 -0.306 1.00 0.00 N ATOM 28 CA SER A 3 -36.575 0.312 1.117 1.00 0.00 C ATOM 29 C SER A 3 -37.822 1.090 1.526 1.00 0.00 C ATOM 30 O SER A 3 -38.370 1.862 0.740 1.00 0.00 O ATOM 31 CB SER A 3 -35.322 1.124 1.451 1.00 0.00 C ATOM 32 OG SER A 3 -34.397 1.103 0.377 1.00 0.00 O ATOM 0 H SER A 3 -36.748 0.796 -0.917 1.00 0.00 H new ATOM 0 HA SER A 3 -36.553 -0.624 1.675 1.00 0.00 H new ATOM 0 HB2 SER A 3 -35.601 2.154 1.674 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.852 0.720 2.348 1.00 0.00 H new ATOM 0 HG SER A 3 -33.606 1.631 0.616 1.00 0.00 H new ATOM 38 N SER A 4 -38.264 0.881 2.764 1.00 0.00 N ATOM 39 CA SER A 4 -39.446 1.560 3.279 1.00 0.00 C ATOM 40 C SER A 4 -39.089 2.459 4.458 1.00 0.00 C ATOM 41 O SER A 4 -39.074 3.684 4.335 1.00 0.00 O ATOM 42 CB SER A 4 -40.502 0.538 3.704 1.00 0.00 C ATOM 43 OG SER A 4 -41.766 1.154 3.887 1.00 0.00 O ATOM 0 H SER A 4 -37.820 0.246 3.428 1.00 0.00 H new ATOM 0 HA SER A 4 -39.852 2.183 2.482 1.00 0.00 H new ATOM 0 HB2 SER A 4 -40.581 -0.243 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 4 -40.192 0.055 4.631 1.00 0.00 H new ATOM 0 HG SER A 4 -42.423 0.479 4.157 1.00 0.00 H new ATOM 49 N HIS A 5 -38.804 1.841 5.600 1.00 0.00 N ATOM 50 CA HIS A 5 -38.448 2.583 6.804 1.00 0.00 C ATOM 51 C HIS A 5 -36.982 2.368 7.164 1.00 0.00 C ATOM 52 O HIS A 5 -36.559 2.652 8.285 1.00 0.00 O ATOM 53 CB HIS A 5 -39.339 2.154 7.973 1.00 0.00 C ATOM 54 CG HIS A 5 -40.778 2.525 7.800 1.00 0.00 C ATOM 55 ND1 HIS A 5 -41.170 3.475 6.887 1.00 0.00 N ATOM 56 CD2 HIS A 5 -41.874 2.049 8.442 1.00 0.00 C ATOM 57 CE1 HIS A 5 -42.485 3.556 6.991 1.00 0.00 C ATOM 58 NE2 HIS A 5 -42.955 2.712 7.920 1.00 0.00 N ATOM 0 H HIS A 5 -38.813 0.828 5.717 1.00 0.00 H new ATOM 0 HA HIS A 5 -38.602 3.644 6.606 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -39.264 1.074 8.098 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -38.964 2.608 8.890 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -41.892 1.294 9.214 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -43.102 4.218 6.402 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -43.931 2.587 8.188 1.00 0.00 H new ATOM 66 N HIS A 6 -36.211 1.866 6.204 1.00 0.00 N ATOM 67 CA HIS A 6 -34.791 1.610 6.417 1.00 0.00 C ATOM 68 C HIS A 6 -34.044 2.904 6.725 1.00 0.00 C ATOM 69 O HIS A 6 -34.467 3.988 6.324 1.00 0.00 O ATOM 70 CB HIS A 6 -34.183 0.938 5.185 1.00 0.00 C ATOM 71 CG HIS A 6 -34.252 -0.558 5.223 1.00 0.00 C ATOM 72 ND1 HIS A 6 -34.560 -1.231 6.382 1.00 0.00 N ATOM 73 CD2 HIS A 6 -34.047 -1.457 4.230 1.00 0.00 C ATOM 74 CE1 HIS A 6 -34.536 -2.515 6.071 1.00 0.00 C ATOM 75 NE2 HIS A 6 -34.229 -2.699 4.780 1.00 0.00 N ATOM 0 H HIS A 6 -36.546 1.628 5.270 1.00 0.00 H new ATOM 0 HA HIS A 6 -34.692 0.943 7.273 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -34.700 1.295 4.294 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -33.141 1.243 5.092 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -33.790 -1.237 3.204 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -34.738 -3.314 6.769 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -34.146 -3.594 4.298 1.00 0.00 H new ATOM 83 N HIS A 7 -32.932 2.781 7.444 1.00 0.00 N ATOM 84 CA HIS A 7 -32.126 3.940 7.812 1.00 0.00 C ATOM 85 C HIS A 7 -31.273 4.408 6.637 1.00 0.00 C ATOM 86 O HIS A 7 -30.639 5.463 6.700 1.00 0.00 O ATOM 87 CB HIS A 7 -31.227 3.604 9.004 1.00 0.00 C ATOM 88 CG HIS A 7 -31.970 3.465 10.297 1.00 0.00 C ATOM 89 ND1 HIS A 7 -33.313 3.748 10.388 1.00 0.00 N ATOM 90 CD2 HIS A 7 -31.517 3.075 11.514 1.00 0.00 C ATOM 91 CE1 HIS A 7 -33.646 3.526 11.647 1.00 0.00 C ATOM 92 NE2 HIS A 7 -32.590 3.116 12.365 1.00 0.00 N ATOM 0 H HIS A 7 -32.569 1.890 7.783 1.00 0.00 H new ATOM 0 HA HIS A 7 -32.804 4.747 8.090 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -30.697 2.674 8.798 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -30.473 4.384 9.110 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -30.506 2.788 11.764 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -34.641 3.658 12.047 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -32.586 2.879 13.357 1.00 0.00 H new ATOM 100 N HIS A 8 -31.259 3.619 5.568 1.00 0.00 N ATOM 101 CA HIS A 8 -30.481 3.953 4.381 1.00 0.00 C ATOM 102 C HIS A 8 -31.267 3.656 3.109 1.00 0.00 C ATOM 103 O HIS A 8 -31.656 2.514 2.859 1.00 0.00 O ATOM 104 CB HIS A 8 -29.165 3.173 4.374 1.00 0.00 C ATOM 105 CG HIS A 8 -27.963 4.023 4.641 1.00 0.00 C ATOM 106 ND1 HIS A 8 -27.721 4.552 5.887 1.00 0.00 N ATOM 107 CD2 HIS A 8 -26.972 4.404 3.798 1.00 0.00 C ATOM 108 CE1 HIS A 8 -26.598 5.238 5.777 1.00 0.00 C ATOM 109 NE2 HIS A 8 -26.108 5.178 4.531 1.00 0.00 N ATOM 0 H HIS A 8 -31.778 2.743 5.499 1.00 0.00 H new ATOM 0 HA HIS A 8 -30.265 5.021 4.409 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -29.216 2.384 5.125 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -29.047 2.685 3.407 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -26.880 4.148 2.753 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -26.133 5.779 6.588 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -25.255 5.623 4.192 1.00 0.00 H new ATOM 117 N HIS A 9 -31.497 4.691 2.306 1.00 0.00 N ATOM 118 CA HIS A 9 -32.235 4.543 1.057 1.00 0.00 C ATOM 119 C HIS A 9 -31.320 4.771 -0.143 1.00 0.00 C ATOM 120 O HIS A 9 -30.097 4.696 -0.026 1.00 0.00 O ATOM 121 CB HIS A 9 -33.411 5.524 1.015 1.00 0.00 C ATOM 122 CG HIS A 9 -33.053 6.914 1.447 1.00 0.00 C ATOM 123 ND1 HIS A 9 -33.743 7.553 2.451 1.00 0.00 N ATOM 124 CD2 HIS A 9 -32.083 7.740 0.982 1.00 0.00 C ATOM 125 CE1 HIS A 9 -33.181 8.742 2.578 1.00 0.00 C ATOM 126 NE2 HIS A 9 -32.172 8.898 1.709 1.00 0.00 N ATOM 0 H HIS A 9 -31.182 5.642 2.499 1.00 0.00 H new ATOM 0 HA HIS A 9 -32.621 3.525 1.008 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -33.807 5.559 0.000 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -34.209 5.148 1.656 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -31.378 7.527 0.192 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -33.494 9.491 3.290 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -31.582 9.724 1.608 1.00 0.00 H new ATOM 134 N HIS A 10 -31.920 5.053 -1.298 1.00 0.00 N ATOM 135 CA HIS A 10 -31.156 5.294 -2.516 1.00 0.00 C ATOM 136 C HIS A 10 -30.488 6.666 -2.475 1.00 0.00 C ATOM 137 O HIS A 10 -31.060 7.661 -2.923 1.00 0.00 O ATOM 138 CB HIS A 10 -32.065 5.193 -3.742 1.00 0.00 C ATOM 139 CG HIS A 10 -31.496 4.352 -4.842 1.00 0.00 C ATOM 140 ND1 HIS A 10 -31.715 2.996 -4.895 1.00 0.00 N ATOM 141 CD2 HIS A 10 -30.728 4.718 -5.898 1.00 0.00 C ATOM 142 CE1 HIS A 10 -31.082 2.568 -5.973 1.00 0.00 C ATOM 143 NE2 HIS A 10 -30.470 3.575 -6.611 1.00 0.00 N ATOM 0 H HIS A 10 -32.931 5.120 -1.414 1.00 0.00 H new ATOM 0 HA HIS A 10 -30.379 4.532 -2.585 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -33.026 4.778 -3.438 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -32.258 6.195 -4.125 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -30.386 5.715 -6.132 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -31.061 1.538 -6.298 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -29.917 3.505 -7.465 1.00 0.00 H new ATOM 151 N SER A 11 -29.275 6.712 -1.931 1.00 0.00 N ATOM 152 CA SER A 11 -28.528 7.960 -1.829 1.00 0.00 C ATOM 153 C SER A 11 -27.174 7.840 -2.524 1.00 0.00 C ATOM 154 O SER A 11 -26.973 6.961 -3.361 1.00 0.00 O ATOM 155 CB SER A 11 -28.331 8.340 -0.360 1.00 0.00 C ATOM 156 OG SER A 11 -29.137 9.453 -0.008 1.00 0.00 O ATOM 0 H SER A 11 -28.789 5.898 -1.554 1.00 0.00 H new ATOM 0 HA SER A 11 -29.102 8.743 -2.325 1.00 0.00 H new ATOM 0 HB2 SER A 11 -28.581 7.490 0.275 1.00 0.00 H new ATOM 0 HB3 SER A 11 -27.282 8.575 -0.179 1.00 0.00 H new ATOM 0 HG SER A 11 -28.994 9.675 0.936 1.00 0.00 H new ATOM 162 N SER A 12 -26.250 8.730 -2.173 1.00 0.00 N ATOM 163 CA SER A 12 -24.916 8.720 -2.763 1.00 0.00 C ATOM 164 C SER A 12 -24.050 7.636 -2.131 1.00 0.00 C ATOM 165 O SER A 12 -23.131 7.927 -1.364 1.00 0.00 O ATOM 166 CB SER A 12 -24.251 10.088 -2.591 1.00 0.00 C ATOM 167 OG SER A 12 -23.339 10.346 -3.644 1.00 0.00 O ATOM 0 H SER A 12 -26.401 9.466 -1.484 1.00 0.00 H new ATOM 0 HA SER A 12 -25.016 8.504 -3.827 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.014 10.866 -2.567 1.00 0.00 H new ATOM 0 HB3 SER A 12 -23.728 10.124 -1.635 1.00 0.00 H new ATOM 0 HG SER A 12 -22.928 11.226 -3.513 1.00 0.00 H new ATOM 173 N GLY A 13 -24.351 6.382 -2.456 1.00 0.00 N ATOM 174 CA GLY A 13 -23.592 5.269 -1.916 1.00 0.00 C ATOM 175 C GLY A 13 -23.119 4.314 -2.993 1.00 0.00 C ATOM 176 O GLY A 13 -23.591 3.179 -3.077 1.00 0.00 O ATOM 0 H GLY A 13 -25.109 6.117 -3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -22.730 5.652 -1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -24.208 4.727 -1.199 1.00 0.00 H new ATOM 180 N LEU A 14 -22.190 4.776 -3.821 1.00 0.00 N ATOM 181 CA LEU A 14 -21.651 3.959 -4.902 1.00 0.00 C ATOM 182 C LEU A 14 -20.222 3.523 -4.596 1.00 0.00 C ATOM 183 O LEU A 14 -19.852 2.371 -4.823 1.00 0.00 O ATOM 184 CB LEU A 14 -21.686 4.735 -6.220 1.00 0.00 C ATOM 185 CG LEU A 14 -21.150 6.166 -6.143 1.00 0.00 C ATOM 186 CD1 LEU A 14 -20.128 6.413 -7.241 1.00 0.00 C ATOM 187 CD2 LEU A 14 -22.292 7.167 -6.237 1.00 0.00 C ATOM 0 H LEU A 14 -21.793 5.714 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 14 -22.272 3.068 -4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.107 4.186 -6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -22.715 4.767 -6.578 1.00 0.00 H new ATOM 0 HG LEU A 14 -20.656 6.299 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -19.758 7.436 -7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -19.296 5.718 -7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -20.596 6.263 -8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -21.893 8.180 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -22.815 7.035 -7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -22.987 7.004 -5.413 1.00 0.00 H new ATOM 199 N VAL A 15 -19.424 4.452 -4.083 1.00 0.00 N ATOM 200 CA VAL A 15 -18.033 4.166 -3.748 1.00 0.00 C ATOM 201 C VAL A 15 -17.854 3.993 -2.241 1.00 0.00 C ATOM 202 O VAL A 15 -18.551 4.627 -1.450 1.00 0.00 O ATOM 203 CB VAL A 15 -17.096 5.286 -4.242 1.00 0.00 C ATOM 204 CG1 VAL A 15 -17.039 5.303 -5.761 1.00 0.00 C ATOM 205 CG2 VAL A 15 -17.545 6.637 -3.703 1.00 0.00 C ATOM 0 H VAL A 15 -19.716 5.410 -3.890 1.00 0.00 H new ATOM 0 HA VAL A 15 -17.770 3.235 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 15 -16.093 5.086 -3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -16.373 6.100 -6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -16.665 4.345 -6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.038 5.476 -6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -16.871 7.414 -4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -18.558 6.847 -4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.528 6.618 -2.613 1.00 0.00 H new ATOM 215 N PRO A 16 -16.913 3.127 -1.822 1.00 0.00 N ATOM 216 CA PRO A 16 -16.650 2.877 -0.401 1.00 0.00 C ATOM 217 C PRO A 16 -16.010 4.079 0.287 1.00 0.00 C ATOM 218 O PRO A 16 -16.152 5.214 -0.168 1.00 0.00 O ATOM 219 CB PRO A 16 -15.684 1.690 -0.417 1.00 0.00 C ATOM 220 CG PRO A 16 -15.014 1.762 -1.746 1.00 0.00 C ATOM 221 CD PRO A 16 -16.035 2.325 -2.696 1.00 0.00 C ATOM 0 HA PRO A 16 -17.567 2.685 0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.960 1.758 0.395 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -16.215 0.746 -0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -14.129 2.397 -1.703 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -14.682 0.775 -2.070 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.570 2.937 -3.468 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.588 1.536 -3.205 1.00 0.00 H new ATOM 229 N ARG A 17 -15.307 3.823 1.386 1.00 0.00 N ATOM 230 CA ARG A 17 -14.648 4.884 2.138 1.00 0.00 C ATOM 231 C ARG A 17 -13.472 5.459 1.356 1.00 0.00 C ATOM 232 O ARG A 17 -12.345 4.970 1.459 1.00 0.00 O ATOM 233 CB ARG A 17 -14.167 4.358 3.491 1.00 0.00 C ATOM 234 CG ARG A 17 -14.981 4.874 4.666 1.00 0.00 C ATOM 235 CD ARG A 17 -14.088 5.464 5.746 1.00 0.00 C ATOM 236 NE ARG A 17 -13.712 4.469 6.747 1.00 0.00 N ATOM 237 CZ ARG A 17 -12.601 3.742 6.684 1.00 0.00 C ATOM 238 NH1 ARG A 17 -11.759 3.895 5.672 1.00 0.00 N ATOM 239 NH2 ARG A 17 -12.332 2.858 7.635 1.00 0.00 N ATOM 0 H ARG A 17 -15.179 2.889 1.775 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.374 5.680 2.303 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.206 3.269 3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.123 4.639 3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.683 5.632 4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.572 4.060 5.086 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.189 5.876 5.288 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.605 6.291 6.233 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.338 4.324 7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.962 4.573 4.937 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.908 3.335 5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.978 2.736 8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.479 2.300 7.586 1.00 0.00 H new ATOM 253 N GLY A 18 -13.742 6.501 0.576 1.00 0.00 N ATOM 254 CA GLY A 18 -12.698 7.132 -0.211 1.00 0.00 C ATOM 255 C GLY A 18 -12.540 8.605 0.117 1.00 0.00 C ATOM 256 O GLY A 18 -13.284 9.443 -0.392 1.00 0.00 O ATOM 0 H GLY A 18 -14.666 6.920 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.753 6.619 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.927 7.021 -1.271 1.00 0.00 H new ATOM 260 N SER A 19 -11.571 8.917 0.971 1.00 0.00 N ATOM 261 CA SER A 19 -11.321 10.296 1.374 1.00 0.00 C ATOM 262 C SER A 19 -10.877 11.145 0.188 1.00 0.00 C ATOM 263 O SER A 19 -11.620 12.007 -0.283 1.00 0.00 O ATOM 264 CB SER A 19 -10.256 10.341 2.473 1.00 0.00 C ATOM 265 OG SER A 19 -10.817 10.045 3.740 1.00 0.00 O ATOM 0 H SER A 19 -10.946 8.233 1.398 1.00 0.00 H new ATOM 0 HA SER A 19 -12.254 10.707 1.759 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.465 9.626 2.246 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.796 11.329 2.497 1.00 0.00 H new ATOM 0 HG SER A 19 -10.116 10.079 4.424 1.00 0.00 H new ATOM 271 N HIS A 20 -9.660 10.900 -0.291 1.00 0.00 N ATOM 272 CA HIS A 20 -9.115 11.653 -1.416 1.00 0.00 C ATOM 273 C HIS A 20 -8.839 10.740 -2.606 1.00 0.00 C ATOM 274 O HIS A 20 -9.159 9.551 -2.579 1.00 0.00 O ATOM 275 CB HIS A 20 -7.827 12.368 -1.001 1.00 0.00 C ATOM 276 CG HIS A 20 -7.865 12.912 0.394 1.00 0.00 C ATOM 277 ND1 HIS A 20 -8.852 13.777 0.800 1.00 0.00 N ATOM 278 CD2 HIS A 20 -7.022 12.682 1.431 1.00 0.00 C ATOM 279 CE1 HIS A 20 -8.591 14.056 2.065 1.00 0.00 C ATOM 280 NE2 HIS A 20 -7.493 13.415 2.489 1.00 0.00 N ATOM 0 H HIS A 20 -9.034 10.187 0.082 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.857 12.393 -1.715 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -6.992 11.673 -1.088 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.635 13.186 -1.696 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.150 12.045 1.424 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -9.186 14.716 2.679 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -7.085 13.464 3.423 1.00 0.00 H new ATOM 288 N MET A 21 -8.242 11.306 -3.652 1.00 0.00 N ATOM 289 CA MET A 21 -7.923 10.549 -4.857 1.00 0.00 C ATOM 290 C MET A 21 -6.672 9.699 -4.653 1.00 0.00 C ATOM 291 O MET A 21 -6.235 9.480 -3.523 1.00 0.00 O ATOM 292 CB MET A 21 -7.722 11.499 -6.040 1.00 0.00 C ATOM 293 CG MET A 21 -8.909 11.552 -6.988 1.00 0.00 C ATOM 294 SD MET A 21 -8.421 11.477 -8.721 1.00 0.00 S ATOM 295 CE MET A 21 -10.003 11.192 -9.509 1.00 0.00 C ATOM 0 H MET A 21 -7.969 12.288 -3.688 1.00 0.00 H new ATOM 0 HA MET A 21 -8.759 9.883 -5.071 1.00 0.00 H new ATOM 0 HB2 MET A 21 -7.526 12.502 -5.660 1.00 0.00 H new ATOM 0 HB3 MET A 21 -6.837 11.190 -6.596 1.00 0.00 H new ATOM 0 HG2 MET A 21 -9.581 10.723 -6.768 1.00 0.00 H new ATOM 0 HG3 MET A 21 -9.468 12.471 -6.812 1.00 0.00 H new ATOM 0 HE1 MET A 21 -9.865 11.122 -10.588 1.00 0.00 H new ATOM 0 HE2 MET A 21 -10.432 10.262 -9.137 1.00 0.00 H new ATOM 0 HE3 MET A 21 -10.677 12.018 -9.282 1.00 0.00 H new ATOM 305 N LYS A 22 -6.100 9.223 -5.756 1.00 0.00 N ATOM 306 CA LYS A 22 -4.901 8.395 -5.702 1.00 0.00 C ATOM 307 C LYS A 22 -3.797 8.980 -6.578 1.00 0.00 C ATOM 308 O LYS A 22 -3.412 8.391 -7.589 1.00 0.00 O ATOM 309 CB LYS A 22 -5.221 6.968 -6.149 1.00 0.00 C ATOM 310 CG LYS A 22 -6.460 6.385 -5.489 1.00 0.00 C ATOM 311 CD LYS A 22 -7.693 6.560 -6.363 1.00 0.00 C ATOM 312 CE LYS A 22 -8.930 6.854 -5.530 1.00 0.00 C ATOM 313 NZ LYS A 22 -9.568 5.608 -5.024 1.00 0.00 N ATOM 0 H LYS A 22 -6.449 9.397 -6.698 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.549 8.374 -4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.357 6.957 -7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.367 6.327 -5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.302 5.325 -5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.623 6.870 -4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.527 7.374 -7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.855 5.656 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.658 7.490 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.648 7.411 -6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.408 5.852 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.851 5.012 -5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.891 5.088 -4.429 1.00 0.00 H new ATOM 327 N ASN A 23 -3.292 10.146 -6.186 1.00 0.00 N ATOM 328 CA ASN A 23 -2.233 10.813 -6.936 1.00 0.00 C ATOM 329 C ASN A 23 -0.975 10.959 -6.085 1.00 0.00 C ATOM 330 O ASN A 23 -0.208 11.908 -6.249 1.00 0.00 O ATOM 331 CB ASN A 23 -2.707 12.188 -7.410 1.00 0.00 C ATOM 332 CG ASN A 23 -3.559 12.895 -6.375 1.00 0.00 C ATOM 333 OD1 ASN A 23 -4.724 12.550 -6.172 1.00 0.00 O ATOM 334 ND2 ASN A 23 -2.982 13.889 -5.710 1.00 0.00 N ATOM 0 H ASN A 23 -3.599 10.648 -5.353 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.992 10.200 -7.805 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.841 12.806 -7.647 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.279 12.074 -8.331 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.506 14.399 -4.999 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.014 14.142 -5.910 1.00 0.00 H new ATOM 341 N ILE A 24 -0.773 10.012 -5.174 1.00 0.00 N ATOM 342 CA ILE A 24 0.389 10.035 -4.291 1.00 0.00 C ATOM 343 C ILE A 24 1.344 8.890 -4.616 1.00 0.00 C ATOM 344 O ILE A 24 1.041 8.033 -5.447 1.00 0.00 O ATOM 345 CB ILE A 24 -0.026 9.944 -2.808 1.00 0.00 C ATOM 346 CG1 ILE A 24 -1.425 10.534 -2.605 1.00 0.00 C ATOM 347 CG2 ILE A 24 0.986 10.665 -1.931 1.00 0.00 C ATOM 348 CD1 ILE A 24 -2.476 9.498 -2.271 1.00 0.00 C ATOM 0 H ILE A 24 -1.398 9.219 -5.028 1.00 0.00 H new ATOM 0 HA ILE A 24 0.895 10.986 -4.456 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.050 8.893 -2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.386 11.272 -1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.722 11.062 -3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.680 10.592 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.967 10.206 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.037 11.714 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.441 9.988 -2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.543 8.773 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.202 8.986 -1.349 1.00 0.00 H new ATOM 360 N VAL A 25 2.502 8.885 -3.961 1.00 0.00 N ATOM 361 CA VAL A 25 3.504 7.845 -4.184 1.00 0.00 C ATOM 362 C VAL A 25 2.987 6.464 -3.770 1.00 0.00 C ATOM 363 O VAL A 25 3.088 5.512 -4.544 1.00 0.00 O ATOM 364 CB VAL A 25 4.818 8.142 -3.429 1.00 0.00 C ATOM 365 CG1 VAL A 25 5.987 7.439 -4.103 1.00 0.00 C ATOM 366 CG2 VAL A 25 5.068 9.640 -3.342 1.00 0.00 C ATOM 0 H VAL A 25 2.770 9.588 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 25 3.706 7.842 -5.255 1.00 0.00 H new ATOM 0 HB VAL A 25 4.723 7.758 -2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.906 7.658 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.813 6.363 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.080 7.792 -5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.999 9.823 -2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.140 10.056 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.244 10.116 -2.811 1.00 0.00 H new ATOM 376 N PRO A 26 2.433 6.321 -2.546 1.00 0.00 N ATOM 377 CA PRO A 26 1.910 5.034 -2.072 1.00 0.00 C ATOM 378 C PRO A 26 0.786 4.511 -2.961 1.00 0.00 C ATOM 379 O PRO A 26 -0.377 4.881 -2.793 1.00 0.00 O ATOM 380 CB PRO A 26 1.386 5.343 -0.664 1.00 0.00 C ATOM 381 CG PRO A 26 1.197 6.820 -0.637 1.00 0.00 C ATOM 382 CD PRO A 26 2.258 7.384 -1.538 1.00 0.00 C ATOM 0 HA PRO A 26 2.674 4.256 -2.085 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.449 4.822 -0.469 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.094 5.022 0.100 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.201 7.093 -0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.297 7.209 0.376 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.945 8.324 -1.992 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.183 7.584 -0.997 1.00 0.00 H new ATOM 390 N ASP A 27 1.145 3.654 -3.912 1.00 0.00 N ATOM 391 CA ASP A 27 0.175 3.088 -4.843 1.00 0.00 C ATOM 392 C ASP A 27 -0.915 2.312 -4.108 1.00 0.00 C ATOM 393 O ASP A 27 -2.048 2.780 -4.004 1.00 0.00 O ATOM 394 CB ASP A 27 0.873 2.174 -5.854 1.00 0.00 C ATOM 395 CG ASP A 27 0.352 2.368 -7.265 1.00 0.00 C ATOM 396 OD1 ASP A 27 0.593 3.448 -7.843 1.00 0.00 O ATOM 397 OD2 ASP A 27 -0.293 1.437 -7.793 1.00 0.00 O ATOM 0 H ASP A 27 2.103 3.336 -4.058 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.295 3.916 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.945 2.369 -5.836 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.732 1.135 -5.557 1.00 0.00 H new ATOM 402 N TYR A 28 -0.582 1.116 -3.620 1.00 0.00 N ATOM 403 CA TYR A 28 -1.572 0.295 -2.923 1.00 0.00 C ATOM 404 C TYR A 28 -1.020 -0.301 -1.632 1.00 0.00 C ATOM 405 O TYR A 28 0.189 -0.318 -1.405 1.00 0.00 O ATOM 406 CB TYR A 28 -2.071 -0.824 -3.837 1.00 0.00 C ATOM 407 CG TYR A 28 -3.440 -1.345 -3.462 1.00 0.00 C ATOM 408 CD1 TYR A 28 -4.588 -0.628 -3.777 1.00 0.00 C ATOM 409 CD2 TYR A 28 -3.587 -2.555 -2.795 1.00 0.00 C ATOM 410 CE1 TYR A 28 -5.840 -1.100 -3.437 1.00 0.00 C ATOM 411 CE2 TYR A 28 -4.836 -3.034 -2.451 1.00 0.00 C ATOM 412 CZ TYR A 28 -5.959 -2.303 -2.774 1.00 0.00 C ATOM 413 OH TYR A 28 -7.205 -2.776 -2.434 1.00 0.00 O ATOM 0 H TYR A 28 0.347 0.701 -3.692 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.402 0.950 -2.657 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.099 -0.458 -4.863 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.358 -1.648 -3.811 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.499 0.315 -4.297 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.709 -3.131 -2.541 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.722 -0.530 -3.689 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.932 -3.976 -1.932 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.114 -3.636 -1.973 1.00 0.00 H new ATOM 423 N ARG A 29 -1.930 -0.788 -0.788 1.00 0.00 N ATOM 424 CA ARG A 29 -1.559 -1.394 0.485 1.00 0.00 C ATOM 425 C ARG A 29 -2.318 -2.702 0.714 1.00 0.00 C ATOM 426 O ARG A 29 -3.496 -2.816 0.375 1.00 0.00 O ATOM 427 CB ARG A 29 -1.841 -0.421 1.633 1.00 0.00 C ATOM 428 CG ARG A 29 -3.294 0.019 1.714 1.00 0.00 C ATOM 429 CD ARG A 29 -3.413 1.523 1.906 1.00 0.00 C ATOM 430 NE ARG A 29 -4.576 1.881 2.714 1.00 0.00 N ATOM 431 CZ ARG A 29 -5.672 2.448 2.221 1.00 0.00 C ATOM 432 NH1 ARG A 29 -5.758 2.721 0.925 1.00 0.00 N ATOM 433 NH2 ARG A 29 -6.686 2.743 3.023 1.00 0.00 N ATOM 0 H ARG A 29 -2.934 -0.773 -0.967 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.493 -1.618 0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.560 -0.892 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.209 0.459 1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.815 -0.275 0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.785 -0.494 2.541 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.509 1.900 2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.485 2.008 0.933 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.545 1.684 3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.981 2.496 0.304 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.601 3.156 0.550 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.625 2.535 4.020 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.527 3.178 2.643 1.00 0.00 H new ATOM 447 N LEU A 30 -1.631 -3.684 1.292 1.00 0.00 N ATOM 448 CA LEU A 30 -2.232 -4.982 1.588 1.00 0.00 C ATOM 449 C LEU A 30 -1.868 -5.417 3.005 1.00 0.00 C ATOM 450 O LEU A 30 -0.911 -6.166 3.209 1.00 0.00 O ATOM 451 CB LEU A 30 -1.760 -6.031 0.570 1.00 0.00 C ATOM 452 CG LEU A 30 -2.690 -7.237 0.371 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.461 -8.275 1.460 1.00 0.00 C ATOM 454 CD2 LEU A 30 -4.149 -6.802 0.344 1.00 0.00 C ATOM 0 H LEU A 30 -0.652 -3.605 1.566 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.316 -4.892 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.623 -5.539 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.782 -6.398 0.882 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.455 -7.690 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.129 -9.122 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.427 -8.617 1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.663 -7.831 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.786 -7.675 0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.402 -6.318 1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.305 -6.102 -0.477 1.00 0.00 H new ATOM 466 N ASP A 31 -2.626 -4.929 3.985 1.00 0.00 N ATOM 467 CA ASP A 31 -2.357 -5.237 5.386 1.00 0.00 C ATOM 468 C ASP A 31 -3.337 -6.273 5.931 1.00 0.00 C ATOM 469 O ASP A 31 -4.185 -5.960 6.767 1.00 0.00 O ATOM 470 CB ASP A 31 -2.431 -3.961 6.229 1.00 0.00 C ATOM 471 CG ASP A 31 -3.412 -2.951 5.666 1.00 0.00 C ATOM 472 OD1 ASP A 31 -3.003 -2.140 4.810 1.00 0.00 O ATOM 473 OD2 ASP A 31 -4.590 -2.973 6.082 1.00 0.00 O ATOM 0 H ASP A 31 -3.430 -4.320 3.834 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.353 -5.657 5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.723 -4.218 7.247 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.441 -3.509 6.286 1.00 0.00 H new ATOM 478 N MET A 32 -3.237 -7.500 5.428 1.00 0.00 N ATOM 479 CA MET A 32 -4.105 -8.582 5.879 1.00 0.00 C ATOM 480 C MET A 32 -3.317 -9.878 6.093 1.00 0.00 C ATOM 481 O MET A 32 -2.544 -10.001 7.044 1.00 0.00 O ATOM 482 CB MET A 32 -5.239 -8.803 4.874 1.00 0.00 C ATOM 483 CG MET A 32 -6.245 -7.664 4.831 1.00 0.00 C ATOM 484 SD MET A 32 -7.942 -8.227 5.062 1.00 0.00 S ATOM 485 CE MET A 32 -8.337 -8.798 3.412 1.00 0.00 C ATOM 0 H MET A 32 -2.565 -7.769 4.709 1.00 0.00 H new ATOM 0 HA MET A 32 -4.534 -8.293 6.839 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.812 -8.937 3.880 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.760 -9.727 5.124 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.999 -6.938 5.605 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.164 -7.149 3.874 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.359 -9.178 3.393 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.244 -7.970 2.709 1.00 0.00 H new ATOM 0 HE3 MET A 32 -7.649 -9.594 3.128 1.00 0.00 H new ATOM 495 N VAL A 33 -3.557 -10.858 5.225 1.00 0.00 N ATOM 496 CA VAL A 33 -2.874 -12.143 5.306 1.00 0.00 C ATOM 497 C VAL A 33 -2.407 -12.586 3.924 1.00 0.00 C ATOM 498 O VAL A 33 -3.083 -12.340 2.925 1.00 0.00 O ATOM 499 CB VAL A 33 -3.792 -13.228 5.903 1.00 0.00 C ATOM 500 CG1 VAL A 33 -3.027 -14.525 6.115 1.00 0.00 C ATOM 501 CG2 VAL A 33 -4.412 -12.748 7.206 1.00 0.00 C ATOM 0 H VAL A 33 -4.222 -10.784 4.455 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.012 -12.015 5.960 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.597 -13.422 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.694 -15.276 6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.640 -14.879 5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.198 -14.350 6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.056 -13.528 7.611 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.623 -12.521 7.922 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.002 -11.851 7.019 1.00 0.00 H new ATOM 511 N GLY A 34 -1.258 -13.252 3.871 1.00 0.00 N ATOM 512 CA GLY A 34 -0.740 -13.730 2.600 1.00 0.00 C ATOM 513 C GLY A 34 -1.648 -14.765 1.963 1.00 0.00 C ATOM 514 O GLY A 34 -1.418 -15.191 0.831 1.00 0.00 O ATOM 0 H GLY A 34 -0.678 -13.469 4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.619 -12.887 1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.249 -14.162 2.752 1.00 0.00 H new ATOM 518 N GLU A 35 -2.687 -15.161 2.694 1.00 0.00 N ATOM 519 CA GLU A 35 -3.646 -16.142 2.201 1.00 0.00 C ATOM 520 C GLU A 35 -4.404 -15.600 0.988 1.00 0.00 C ATOM 521 O GLU A 35 -4.468 -14.388 0.782 1.00 0.00 O ATOM 522 CB GLU A 35 -4.625 -16.517 3.323 1.00 0.00 C ATOM 523 CG GLU A 35 -5.995 -15.865 3.200 1.00 0.00 C ATOM 524 CD GLU A 35 -6.702 -15.726 4.536 1.00 0.00 C ATOM 525 OE1 GLU A 35 -6.222 -16.315 5.527 1.00 0.00 O ATOM 526 OE2 GLU A 35 -7.737 -15.029 4.588 1.00 0.00 O ATOM 0 H GLU A 35 -2.885 -14.815 3.633 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.104 -17.034 1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.750 -17.600 3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.187 -16.237 4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.884 -14.879 2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.615 -16.456 2.526 1.00 0.00 H new ATOM 533 N PRO A 36 -4.995 -16.493 0.169 1.00 0.00 N ATOM 534 CA PRO A 36 -5.752 -16.091 -1.025 1.00 0.00 C ATOM 535 C PRO A 36 -6.864 -15.099 -0.700 1.00 0.00 C ATOM 536 O PRO A 36 -7.976 -15.491 -0.343 1.00 0.00 O ATOM 537 CB PRO A 36 -6.343 -17.408 -1.537 1.00 0.00 C ATOM 538 CG PRO A 36 -5.447 -18.467 -0.995 1.00 0.00 C ATOM 539 CD PRO A 36 -4.967 -17.959 0.336 1.00 0.00 C ATOM 0 HA PRO A 36 -5.120 -15.582 -1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.368 -17.542 -1.191 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.369 -17.432 -2.626 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.981 -19.411 -0.883 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.609 -18.652 -1.668 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.617 -18.284 1.149 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.964 -18.319 0.566 1.00 0.00 H new ATOM 547 N CYS A 37 -6.557 -13.811 -0.830 1.00 0.00 N ATOM 548 CA CYS A 37 -7.525 -12.756 -0.551 1.00 0.00 C ATOM 549 C CYS A 37 -8.315 -12.396 -1.810 1.00 0.00 C ATOM 550 O CYS A 37 -7.811 -12.530 -2.924 1.00 0.00 O ATOM 551 CB CYS A 37 -6.806 -11.519 -0.001 1.00 0.00 C ATOM 552 SG CYS A 37 -7.555 -9.941 -0.474 1.00 0.00 S ATOM 0 H CYS A 37 -5.642 -13.473 -1.128 1.00 0.00 H new ATOM 0 HA CYS A 37 -8.228 -13.120 0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.781 -11.583 1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.772 -11.533 -0.345 1.00 0.00 H new ATOM 0 HG CYS A 37 -8.281 -9.494 0.507 1.00 0.00 H new ATOM 558 N PRO A 38 -9.574 -11.939 -1.648 1.00 0.00 N ATOM 559 CA PRO A 38 -10.434 -11.567 -2.777 1.00 0.00 C ATOM 560 C PRO A 38 -9.717 -10.692 -3.804 1.00 0.00 C ATOM 561 O PRO A 38 -9.594 -11.067 -4.971 1.00 0.00 O ATOM 562 CB PRO A 38 -11.567 -10.789 -2.110 1.00 0.00 C ATOM 563 CG PRO A 38 -11.661 -11.365 -0.739 1.00 0.00 C ATOM 564 CD PRO A 38 -10.261 -11.761 -0.351 1.00 0.00 C ATOM 0 HA PRO A 38 -10.765 -12.440 -3.340 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.350 -9.721 -2.078 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.504 -10.907 -2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.067 -10.636 -0.038 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.327 -12.227 -0.724 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.781 -10.992 0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.253 -12.680 0.236 1.00 0.00 H new ATOM 572 N TYR A 39 -9.253 -9.523 -3.370 1.00 0.00 N ATOM 573 CA TYR A 39 -8.553 -8.601 -4.261 1.00 0.00 C ATOM 574 C TYR A 39 -7.367 -7.941 -3.556 1.00 0.00 C ATOM 575 O TYR A 39 -7.409 -6.753 -3.235 1.00 0.00 O ATOM 576 CB TYR A 39 -9.513 -7.528 -4.785 1.00 0.00 C ATOM 577 CG TYR A 39 -10.652 -7.209 -3.842 1.00 0.00 C ATOM 578 CD1 TYR A 39 -10.499 -6.273 -2.827 1.00 0.00 C ATOM 579 CD2 TYR A 39 -11.885 -7.837 -3.974 1.00 0.00 C ATOM 580 CE1 TYR A 39 -11.540 -5.977 -1.966 1.00 0.00 C ATOM 581 CE2 TYR A 39 -12.929 -7.547 -3.118 1.00 0.00 C ATOM 582 CZ TYR A 39 -12.751 -6.616 -2.115 1.00 0.00 C ATOM 583 OH TYR A 39 -13.790 -6.324 -1.261 1.00 0.00 O ATOM 0 H TYR A 39 -9.348 -9.192 -2.410 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.172 -9.179 -5.103 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.950 -6.615 -4.980 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -9.926 -7.858 -5.738 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -9.552 -5.768 -2.708 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -12.029 -8.564 -4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -11.404 -5.248 -1.181 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -13.880 -8.046 -3.233 1.00 0.00 H new ATOM 0 HH TYR A 39 -14.573 -6.861 -1.503 1.00 0.00 H new ATOM 593 N PRO A 40 -6.279 -8.701 -3.327 1.00 0.00 N ATOM 594 CA PRO A 40 -5.086 -8.195 -2.659 1.00 0.00 C ATOM 595 C PRO A 40 -4.064 -7.618 -3.642 1.00 0.00 C ATOM 596 O PRO A 40 -4.197 -6.478 -4.087 1.00 0.00 O ATOM 597 CB PRO A 40 -4.545 -9.446 -1.972 1.00 0.00 C ATOM 598 CG PRO A 40 -4.935 -10.579 -2.869 1.00 0.00 C ATOM 599 CD PRO A 40 -6.137 -10.127 -3.669 1.00 0.00 C ATOM 0 HA PRO A 40 -5.299 -7.370 -1.980 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.463 -9.393 -1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.972 -9.566 -0.976 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.111 -10.846 -3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.175 -11.467 -2.284 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.980 -10.267 -4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.030 -10.692 -3.401 1.00 0.00 H new ATOM 607 N ALA A 41 -3.056 -8.418 -3.990 1.00 0.00 N ATOM 608 CA ALA A 41 -2.009 -7.990 -4.915 1.00 0.00 C ATOM 609 C ALA A 41 -2.572 -7.620 -6.280 1.00 0.00 C ATOM 610 O ALA A 41 -1.832 -7.174 -7.158 1.00 0.00 O ATOM 611 CB ALA A 41 -0.971 -9.084 -5.076 1.00 0.00 C ATOM 0 H ALA A 41 -2.943 -9.370 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.545 -7.101 -4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.197 -8.752 -5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.522 -9.305 -4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.447 -9.982 -5.469 1.00 0.00 H new ATOM 617 N VAL A 42 -3.870 -7.835 -6.469 1.00 0.00 N ATOM 618 CA VAL A 42 -4.515 -7.517 -7.736 1.00 0.00 C ATOM 619 C VAL A 42 -4.114 -6.124 -8.211 1.00 0.00 C ATOM 620 O VAL A 42 -4.026 -5.867 -9.410 1.00 0.00 O ATOM 621 CB VAL A 42 -6.050 -7.598 -7.627 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.695 -7.407 -8.992 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.472 -8.924 -7.012 1.00 0.00 C ATOM 0 H VAL A 42 -4.493 -8.227 -5.763 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.180 -8.258 -8.462 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.392 -6.795 -6.974 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.779 -7.468 -8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.421 -6.430 -9.391 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.348 -8.186 -9.671 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.559 -8.963 -6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.118 -9.744 -7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.041 -9.016 -6.015 1.00 0.00 H new ATOM 633 N ALA A 43 -3.877 -5.228 -7.258 1.00 0.00 N ATOM 634 CA ALA A 43 -3.457 -3.869 -7.574 1.00 0.00 C ATOM 635 C ALA A 43 -2.005 -3.838 -8.044 1.00 0.00 C ATOM 636 O ALA A 43 -1.675 -3.161 -9.016 1.00 0.00 O ATOM 637 CB ALA A 43 -3.642 -2.966 -6.368 1.00 0.00 C ATOM 0 H ALA A 43 -3.969 -5.420 -6.260 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.083 -3.502 -8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.324 -1.954 -6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.693 -2.955 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.042 -3.340 -5.538 1.00 0.00 H new ATOM 643 N THR A 44 -1.146 -4.567 -7.333 1.00 0.00 N ATOM 644 CA THR A 44 0.280 -4.623 -7.652 1.00 0.00 C ATOM 645 C THR A 44 0.517 -4.870 -9.141 1.00 0.00 C ATOM 646 O THR A 44 1.232 -4.115 -9.801 1.00 0.00 O ATOM 647 CB THR A 44 0.954 -5.726 -6.835 1.00 0.00 C ATOM 648 OG1 THR A 44 0.295 -5.904 -5.594 1.00 0.00 O ATOM 649 CG2 THR A 44 2.414 -5.450 -6.545 1.00 0.00 C ATOM 0 H THR A 44 -1.415 -5.131 -6.527 1.00 0.00 H new ATOM 0 HA THR A 44 0.714 -3.656 -7.398 1.00 0.00 H new ATOM 0 HB THR A 44 0.887 -6.623 -7.450 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.329 -5.068 -5.083 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.831 -6.271 -5.962 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.960 -5.357 -7.484 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.504 -4.522 -5.980 1.00 0.00 H new ATOM 657 N LEU A 45 -0.078 -5.940 -9.660 1.00 0.00 N ATOM 658 CA LEU A 45 0.095 -6.310 -11.061 1.00 0.00 C ATOM 659 C LEU A 45 -0.443 -5.230 -11.997 1.00 0.00 C ATOM 660 O LEU A 45 0.291 -4.705 -12.835 1.00 0.00 O ATOM 661 CB LEU A 45 -0.599 -7.643 -11.347 1.00 0.00 C ATOM 662 CG LEU A 45 0.209 -8.890 -10.975 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.546 -10.150 -11.368 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.581 -8.861 -11.636 1.00 0.00 C ATOM 0 H LEU A 45 -0.685 -6.566 -9.131 1.00 0.00 H new ATOM 0 HA LEU A 45 1.164 -6.413 -11.246 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.544 -7.666 -10.804 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.840 -7.689 -12.409 1.00 0.00 H new ATOM 0 HG LEU A 45 0.351 -8.895 -9.894 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.042 -11.026 -11.096 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.502 -10.179 -10.846 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.720 -10.149 -12.444 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.138 -9.756 -11.358 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.462 -8.829 -12.719 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.126 -7.977 -11.304 1.00 0.00 H new ATOM 676 N GLU A 46 -1.728 -4.911 -11.860 1.00 0.00 N ATOM 677 CA GLU A 46 -2.363 -3.903 -12.706 1.00 0.00 C ATOM 678 C GLU A 46 -1.684 -2.548 -12.550 1.00 0.00 C ATOM 679 O GLU A 46 -1.878 -1.647 -13.366 1.00 0.00 O ATOM 680 CB GLU A 46 -3.848 -3.783 -12.366 1.00 0.00 C ATOM 681 CG GLU A 46 -4.545 -5.124 -12.228 1.00 0.00 C ATOM 682 CD GLU A 46 -5.968 -4.993 -11.724 1.00 0.00 C ATOM 683 OE1 GLU A 46 -6.167 -4.361 -10.665 1.00 0.00 O ATOM 684 OE2 GLU A 46 -6.884 -5.524 -12.386 1.00 0.00 O ATOM 0 H GLU A 46 -2.350 -5.336 -11.172 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.258 -4.222 -13.743 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.956 -3.228 -11.434 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.345 -3.202 -13.143 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.551 -5.627 -13.195 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.978 -5.755 -11.544 1.00 0.00 H new ATOM 691 N ALA A 47 -0.888 -2.413 -11.497 1.00 0.00 N ATOM 692 CA ALA A 47 -0.166 -1.173 -11.240 1.00 0.00 C ATOM 693 C ALA A 47 0.976 -0.994 -12.236 1.00 0.00 C ATOM 694 O ALA A 47 1.243 0.117 -12.693 1.00 0.00 O ATOM 695 CB ALA A 47 0.366 -1.149 -9.816 1.00 0.00 C ATOM 0 H ALA A 47 -0.726 -3.147 -10.807 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.863 -0.344 -11.364 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.902 -0.216 -9.643 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.466 -1.225 -9.116 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.044 -1.989 -9.667 1.00 0.00 H new ATOM 701 N MET A 48 1.644 -2.098 -12.567 1.00 0.00 N ATOM 702 CA MET A 48 2.766 -2.067 -13.504 1.00 0.00 C ATOM 703 C MET A 48 2.418 -1.274 -14.766 1.00 0.00 C ATOM 704 O MET A 48 3.129 -0.337 -15.118 1.00 0.00 O ATOM 705 CB MET A 48 3.207 -3.487 -13.868 1.00 0.00 C ATOM 706 CG MET A 48 4.381 -3.988 -13.044 1.00 0.00 C ATOM 707 SD MET A 48 5.596 -4.880 -14.035 1.00 0.00 S ATOM 708 CE MET A 48 6.294 -3.542 -14.999 1.00 0.00 C ATOM 0 H MET A 48 1.428 -3.025 -12.200 1.00 0.00 H new ATOM 0 HA MET A 48 3.595 -1.561 -13.009 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.364 -4.166 -13.735 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.476 -3.516 -14.924 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.866 -3.142 -12.557 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.012 -4.642 -12.254 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.260 -3.848 -15.401 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.621 -3.296 -15.820 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.427 -2.666 -14.364 1.00 0.00 H new ATOM 718 N PRO A 49 1.314 -1.615 -15.462 1.00 0.00 N ATOM 719 CA PRO A 49 0.900 -0.880 -16.660 1.00 0.00 C ATOM 720 C PRO A 49 0.617 0.584 -16.343 1.00 0.00 C ATOM 721 O PRO A 49 1.254 1.485 -16.891 1.00 0.00 O ATOM 722 CB PRO A 49 -0.384 -1.591 -17.108 1.00 0.00 C ATOM 723 CG PRO A 49 -0.348 -2.920 -16.436 1.00 0.00 C ATOM 724 CD PRO A 49 0.377 -2.704 -15.139 1.00 0.00 C ATOM 0 HA PRO A 49 1.674 -0.875 -17.428 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.269 -1.026 -16.817 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.417 -1.698 -18.192 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.356 -3.298 -16.262 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.166 -3.656 -17.053 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.306 -2.425 -14.336 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.900 -3.603 -14.814 1.00 0.00 H new ATOM 732 N GLN A 50 -0.339 0.811 -15.445 1.00 0.00 N ATOM 733 CA GLN A 50 -0.709 2.162 -15.033 1.00 0.00 C ATOM 734 C GLN A 50 0.346 2.788 -14.118 1.00 0.00 C ATOM 735 O GLN A 50 0.038 3.698 -13.349 1.00 0.00 O ATOM 736 CB GLN A 50 -2.064 2.144 -14.324 1.00 0.00 C ATOM 737 CG GLN A 50 -3.178 1.531 -15.156 1.00 0.00 C ATOM 738 CD GLN A 50 -4.523 2.184 -14.902 1.00 0.00 C ATOM 739 OE1 GLN A 50 -5.168 1.928 -13.885 1.00 0.00 O ATOM 740 NE2 GLN A 50 -4.951 3.034 -15.828 1.00 0.00 N ATOM 0 H GLN A 50 -0.873 0.073 -14.987 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.775 2.772 -15.934 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.969 1.587 -13.392 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.339 3.165 -14.059 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.928 1.621 -16.213 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.248 0.466 -14.935 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.383 3.216 -16.655 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.848 3.505 -15.712 1.00 0.00 H new ATOM 749 N LEU A 51 1.587 2.307 -14.209 1.00 0.00 N ATOM 750 CA LEU A 51 2.676 2.820 -13.376 1.00 0.00 C ATOM 751 C LEU A 51 2.787 4.337 -13.454 1.00 0.00 C ATOM 752 O LEU A 51 2.071 4.996 -14.209 1.00 0.00 O ATOM 753 CB LEU A 51 4.011 2.199 -13.793 1.00 0.00 C ATOM 754 CG LEU A 51 4.628 2.782 -15.068 1.00 0.00 C ATOM 755 CD1 LEU A 51 5.777 3.717 -14.724 1.00 0.00 C ATOM 756 CD2 LEU A 51 5.101 1.673 -15.993 1.00 0.00 C ATOM 0 H LEU A 51 1.863 1.564 -14.851 1.00 0.00 H new ATOM 0 HA LEU A 51 2.444 2.544 -12.347 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.722 2.320 -12.976 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.867 1.128 -13.934 1.00 0.00 H new ATOM 0 HG LEU A 51 3.860 3.355 -15.588 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.204 4.122 -15.642 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.408 4.534 -14.104 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.544 3.166 -14.180 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.536 2.110 -16.892 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.852 1.070 -15.483 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.255 1.043 -16.268 1.00 0.00 H new ATOM 768 N LYS A 52 3.719 4.872 -12.681 1.00 0.00 N ATOM 769 CA LYS A 52 3.952 6.308 -12.637 1.00 0.00 C ATOM 770 C LYS A 52 5.354 6.600 -12.105 1.00 0.00 C ATOM 771 O LYS A 52 6.004 5.723 -11.535 1.00 0.00 O ATOM 772 CB LYS A 52 2.871 6.977 -11.773 1.00 0.00 C ATOM 773 CG LYS A 52 3.408 7.835 -10.646 1.00 0.00 C ATOM 774 CD LYS A 52 2.387 7.994 -9.531 1.00 0.00 C ATOM 775 CE LYS A 52 1.670 9.329 -9.621 1.00 0.00 C ATOM 776 NZ LYS A 52 0.393 9.224 -10.382 1.00 0.00 N ATOM 0 H LYS A 52 4.331 4.329 -12.071 1.00 0.00 H new ATOM 0 HA LYS A 52 3.890 6.720 -13.644 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.242 7.594 -12.414 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.232 6.202 -11.350 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.317 7.385 -10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.681 8.817 -11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.659 7.184 -9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.885 7.912 -8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.465 9.699 -8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.321 10.059 -10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.066 10.157 -10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.591 8.895 -11.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.239 8.547 -9.909 1.00 0.00 H new ATOM 790 N LYS A 53 5.819 7.832 -12.298 1.00 0.00 N ATOM 791 CA LYS A 53 7.147 8.230 -11.839 1.00 0.00 C ATOM 792 C LYS A 53 7.184 8.392 -10.320 1.00 0.00 C ATOM 793 O LYS A 53 8.041 9.094 -9.783 1.00 0.00 O ATOM 794 CB LYS A 53 7.568 9.537 -12.511 1.00 0.00 C ATOM 795 CG LYS A 53 8.243 9.337 -13.858 1.00 0.00 C ATOM 796 CD LYS A 53 7.967 10.498 -14.799 1.00 0.00 C ATOM 797 CE LYS A 53 6.602 10.369 -15.456 1.00 0.00 C ATOM 798 NZ LYS A 53 5.578 11.207 -14.776 1.00 0.00 N ATOM 0 H LYS A 53 5.297 8.571 -12.768 1.00 0.00 H new ATOM 0 HA LYS A 53 7.846 7.441 -12.114 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.689 10.167 -12.644 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.248 10.074 -11.849 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.318 9.232 -13.715 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.889 8.410 -14.309 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.019 11.436 -14.246 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.740 10.537 -15.567 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.674 10.662 -16.503 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.288 9.326 -15.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.870 11.521 -15.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.111 10.649 -14.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.036 12.037 -14.350 1.00 0.00 H new ATOM 812 N GLY A 54 6.257 7.730 -9.634 1.00 0.00 N ATOM 813 CA GLY A 54 6.203 7.805 -8.187 1.00 0.00 C ATOM 814 C GLY A 54 5.258 6.776 -7.602 1.00 0.00 C ATOM 815 O GLY A 54 4.191 7.119 -7.092 1.00 0.00 O ATOM 0 H GLY A 54 5.540 7.141 -10.058 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.202 7.654 -7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.884 8.803 -7.887 1.00 0.00 H new ATOM 819 N GLU A 55 5.640 5.507 -7.697 1.00 0.00 N ATOM 820 CA GLU A 55 4.811 4.419 -7.199 1.00 0.00 C ATOM 821 C GLU A 55 5.455 3.745 -5.994 1.00 0.00 C ATOM 822 O GLU A 55 6.672 3.782 -5.824 1.00 0.00 O ATOM 823 CB GLU A 55 4.564 3.403 -8.312 1.00 0.00 C ATOM 824 CG GLU A 55 3.660 2.247 -7.921 1.00 0.00 C ATOM 825 CD GLU A 55 4.417 0.944 -7.763 1.00 0.00 C ATOM 826 OE1 GLU A 55 5.480 0.796 -8.400 1.00 0.00 O ATOM 827 OE2 GLU A 55 3.943 0.070 -7.006 1.00 0.00 O ATOM 0 H GLU A 55 6.521 5.208 -8.116 1.00 0.00 H new ATOM 0 HA GLU A 55 3.856 4.833 -6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.125 3.918 -9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.523 3.003 -8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.155 2.486 -6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.886 2.124 -8.678 1.00 0.00 H new ATOM 834 N ILE A 56 4.617 3.182 -5.137 1.00 0.00 N ATOM 835 CA ILE A 56 5.077 2.513 -3.926 1.00 0.00 C ATOM 836 C ILE A 56 4.001 1.562 -3.400 1.00 0.00 C ATOM 837 O ILE A 56 2.822 1.705 -3.718 1.00 0.00 O ATOM 838 CB ILE A 56 5.466 3.547 -2.836 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.978 3.783 -2.850 1.00 0.00 C ATOM 840 CG2 ILE A 56 5.019 3.103 -1.448 1.00 0.00 C ATOM 841 CD1 ILE A 56 7.411 4.996 -2.054 1.00 0.00 C ATOM 0 H ILE A 56 3.604 3.175 -5.259 1.00 0.00 H new ATOM 0 HA ILE A 56 5.965 1.932 -4.175 1.00 0.00 H new ATOM 0 HB ILE A 56 4.951 4.479 -3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.478 2.900 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.309 3.899 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.311 3.854 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.936 2.984 -1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.491 2.152 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.495 5.100 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.939 5.888 -2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.111 4.874 -1.013 1.00 0.00 H new ATOM 853 N LEU A 57 4.409 0.583 -2.604 1.00 0.00 N ATOM 854 CA LEU A 57 3.462 -0.359 -2.028 1.00 0.00 C ATOM 855 C LEU A 57 3.818 -0.684 -0.604 1.00 0.00 C ATOM 856 O LEU A 57 4.943 -0.458 -0.158 1.00 0.00 O ATOM 857 CB LEU A 57 3.440 -1.656 -2.821 1.00 0.00 C ATOM 858 CG LEU A 57 2.070 -2.324 -2.940 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.248 -1.652 -4.024 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.226 -3.810 -3.227 1.00 0.00 C ATOM 0 H LEU A 57 5.382 0.422 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 57 2.481 0.115 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.817 -1.456 -3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.130 -2.360 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 57 1.545 -2.213 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.275 -2.138 -4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.110 -0.600 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.768 -1.735 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.241 -4.270 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.768 -3.945 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.780 -4.281 -2.415 1.00 0.00 H new ATOM 872 N GLU A 58 2.859 -1.253 0.100 1.00 0.00 N ATOM 873 CA GLU A 58 3.090 -1.696 1.450 1.00 0.00 C ATOM 874 C GLU A 58 2.221 -2.907 1.755 1.00 0.00 C ATOM 875 O GLU A 58 1.019 -2.891 1.504 1.00 0.00 O ATOM 876 CB GLU A 58 2.811 -0.575 2.460 1.00 0.00 C ATOM 877 CG GLU A 58 2.628 0.800 1.834 1.00 0.00 C ATOM 878 CD GLU A 58 1.698 1.686 2.639 1.00 0.00 C ATOM 879 OE1 GLU A 58 0.492 1.369 2.716 1.00 0.00 O ATOM 880 OE2 GLU A 58 2.176 2.697 3.197 1.00 0.00 O ATOM 0 H GLU A 58 1.914 -1.417 -0.246 1.00 0.00 H new ATOM 0 HA GLU A 58 4.140 -1.975 1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.914 -0.826 3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.635 -0.530 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.599 1.286 1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.233 0.686 0.825 1.00 0.00 H new ATOM 887 N VAL A 59 2.838 -3.969 2.258 1.00 0.00 N ATOM 888 CA VAL A 59 2.111 -5.199 2.550 1.00 0.00 C ATOM 889 C VAL A 59 2.376 -5.679 3.971 1.00 0.00 C ATOM 890 O VAL A 59 3.485 -6.091 4.301 1.00 0.00 O ATOM 891 CB VAL A 59 2.491 -6.322 1.566 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.675 -7.575 1.844 1.00 0.00 C ATOM 893 CG2 VAL A 59 2.300 -5.861 0.130 1.00 0.00 C ATOM 0 H VAL A 59 3.835 -4.004 2.471 1.00 0.00 H new ATOM 0 HA VAL A 59 1.051 -4.968 2.442 1.00 0.00 H new ATOM 0 HB VAL A 59 3.544 -6.563 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.957 -8.357 1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.868 -7.916 2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.614 -7.351 1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.573 -6.667 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.256 -5.590 -0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.933 -4.995 -0.061 1.00 0.00 H new ATOM 903 N VAL A 60 1.339 -5.660 4.798 1.00 0.00 N ATOM 904 CA VAL A 60 1.454 -6.126 6.173 1.00 0.00 C ATOM 905 C VAL A 60 0.528 -7.311 6.404 1.00 0.00 C ATOM 906 O VAL A 60 -0.670 -7.146 6.635 1.00 0.00 O ATOM 907 CB VAL A 60 1.126 -5.014 7.190 1.00 0.00 C ATOM 908 CG1 VAL A 60 2.143 -5.016 8.320 1.00 0.00 C ATOM 909 CG2 VAL A 60 1.079 -3.654 6.509 1.00 0.00 C ATOM 0 H VAL A 60 0.410 -5.327 4.541 1.00 0.00 H new ATOM 0 HA VAL A 60 2.490 -6.428 6.326 1.00 0.00 H new ATOM 0 HB VAL A 60 0.140 -5.213 7.611 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.899 -4.226 9.030 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.121 -5.980 8.828 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.139 -4.843 7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.846 -2.886 7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.047 -3.440 6.056 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.310 -3.660 5.736 1.00 0.00 H new ATOM 919 N SER A 61 1.079 -8.512 6.298 1.00 0.00 N ATOM 920 CA SER A 61 0.285 -9.718 6.455 1.00 0.00 C ATOM 921 C SER A 61 1.008 -10.759 7.295 1.00 0.00 C ATOM 922 O SER A 61 2.185 -10.606 7.619 1.00 0.00 O ATOM 923 CB SER A 61 -0.050 -10.304 5.082 1.00 0.00 C ATOM 924 OG SER A 61 0.546 -9.546 4.045 1.00 0.00 O ATOM 0 H SER A 61 2.067 -8.675 6.105 1.00 0.00 H new ATOM 0 HA SER A 61 -0.634 -9.446 6.974 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.298 -11.336 5.029 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.131 -10.325 4.946 1.00 0.00 H new ATOM 0 HG SER A 61 0.229 -9.873 3.177 1.00 0.00 H new ATOM 930 N ASP A 62 0.298 -11.834 7.614 1.00 0.00 N ATOM 931 CA ASP A 62 0.866 -12.922 8.400 1.00 0.00 C ATOM 932 C ASP A 62 0.872 -14.216 7.592 1.00 0.00 C ATOM 933 O ASP A 62 -0.130 -14.574 6.974 1.00 0.00 O ATOM 934 CB ASP A 62 0.073 -13.120 9.690 1.00 0.00 C ATOM 935 CG ASP A 62 0.954 -13.080 10.924 1.00 0.00 C ATOM 936 OD1 ASP A 62 2.174 -13.316 10.792 1.00 0.00 O ATOM 937 OD2 ASP A 62 0.423 -12.816 12.024 1.00 0.00 O ATOM 0 H ASP A 62 -0.674 -11.976 7.340 1.00 0.00 H new ATOM 0 HA ASP A 62 1.893 -12.660 8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.690 -12.345 9.767 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.448 -14.077 9.650 1.00 0.00 H new ATOM 942 N CYS A 63 2.011 -14.901 7.580 1.00 0.00 N ATOM 943 CA CYS A 63 2.140 -16.148 6.835 1.00 0.00 C ATOM 944 C CYS A 63 3.300 -16.989 7.362 1.00 0.00 C ATOM 945 O CYS A 63 4.364 -16.460 7.688 1.00 0.00 O ATOM 946 CB CYS A 63 2.345 -15.854 5.347 1.00 0.00 C ATOM 947 SG CYS A 63 3.984 -15.210 4.939 1.00 0.00 S ATOM 0 H CYS A 63 2.855 -14.615 8.076 1.00 0.00 H new ATOM 0 HA CYS A 63 1.219 -16.716 6.968 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.175 -16.769 4.780 1.00 0.00 H new ATOM 0 HB3 CYS A 63 1.593 -15.134 5.023 1.00 0.00 H new ATOM 0 HG CYS A 63 3.909 -14.483 3.864 1.00 0.00 H new ATOM 953 N PRO A 64 3.114 -18.320 7.440 1.00 0.00 N ATOM 954 CA PRO A 64 4.150 -19.234 7.922 1.00 0.00 C ATOM 955 C PRO A 64 5.178 -19.563 6.844 1.00 0.00 C ATOM 956 O PRO A 64 5.926 -20.535 6.961 1.00 0.00 O ATOM 957 CB PRO A 64 3.352 -20.481 8.298 1.00 0.00 C ATOM 958 CG PRO A 64 2.201 -20.484 7.351 1.00 0.00 C ATOM 959 CD PRO A 64 1.877 -19.037 7.072 1.00 0.00 C ATOM 0 HA PRO A 64 4.729 -18.811 8.743 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.954 -21.384 8.195 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.014 -20.439 9.334 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.456 -21.009 6.431 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.343 -20.998 7.784 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.620 -18.880 6.024 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.027 -18.697 7.663 1.00 0.00 H new ATOM 967 N GLN A 65 5.204 -18.750 5.792 1.00 0.00 N ATOM 968 CA GLN A 65 6.136 -18.955 4.689 1.00 0.00 C ATOM 969 C GLN A 65 7.102 -17.780 4.564 1.00 0.00 C ATOM 970 O GLN A 65 7.212 -16.954 5.472 1.00 0.00 O ATOM 971 CB GLN A 65 5.369 -19.140 3.377 1.00 0.00 C ATOM 972 CG GLN A 65 4.400 -20.311 3.398 1.00 0.00 C ATOM 973 CD GLN A 65 3.839 -20.626 2.025 1.00 0.00 C ATOM 974 OE1 GLN A 65 2.655 -20.415 1.760 1.00 0.00 O ATOM 975 NE2 GLN A 65 4.691 -21.133 1.141 1.00 0.00 N ATOM 0 H GLN A 65 4.590 -17.943 5.681 1.00 0.00 H new ATOM 0 HA GLN A 65 6.714 -19.855 4.897 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.817 -18.226 3.157 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.083 -19.284 2.566 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.908 -21.192 3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.579 -20.087 4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.664 -21.292 1.403 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.372 -21.364 0.200 1.00 0.00 H new ATOM 984 N SER A 66 7.798 -17.711 3.434 1.00 0.00 N ATOM 985 CA SER A 66 8.758 -16.642 3.188 1.00 0.00 C ATOM 986 C SER A 66 8.150 -15.552 2.311 1.00 0.00 C ATOM 987 O SER A 66 7.856 -14.453 2.783 1.00 0.00 O ATOM 988 CB SER A 66 10.016 -17.204 2.523 1.00 0.00 C ATOM 989 OG SER A 66 9.938 -18.612 2.392 1.00 0.00 O ATOM 0 H SER A 66 7.715 -18.385 2.673 1.00 0.00 H new ATOM 0 HA SER A 66 9.026 -16.201 4.148 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.145 -16.751 1.540 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.893 -16.939 3.114 1.00 0.00 H new ATOM 0 HG SER A 66 10.753 -18.946 1.963 1.00 0.00 H new ATOM 995 N ILE A 67 7.971 -15.861 1.031 1.00 0.00 N ATOM 996 CA ILE A 67 7.403 -14.906 0.085 1.00 0.00 C ATOM 997 C ILE A 67 5.879 -14.922 0.140 1.00 0.00 C ATOM 998 O ILE A 67 5.262 -15.981 0.263 1.00 0.00 O ATOM 999 CB ILE A 67 7.861 -15.200 -1.357 1.00 0.00 C ATOM 1000 CG1 ILE A 67 9.388 -15.321 -1.422 1.00 0.00 C ATOM 1001 CG2 ILE A 67 7.367 -14.118 -2.306 1.00 0.00 C ATOM 1002 CD1 ILE A 67 10.121 -14.062 -1.002 1.00 0.00 C ATOM 0 H ILE A 67 8.211 -16.765 0.624 1.00 0.00 H new ATOM 0 HA ILE A 67 7.764 -13.919 0.375 1.00 0.00 H new ATOM 0 HB ILE A 67 7.429 -16.151 -1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.705 -16.145 -0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.680 -15.577 -2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.700 -14.343 -3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.278 -14.082 -2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.769 -13.153 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.196 -14.226 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.834 -13.239 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.860 -13.815 0.027 1.00 0.00 H new ATOM 1014 N ASN A 68 5.277 -13.740 0.045 1.00 0.00 N ATOM 1015 CA ASN A 68 3.825 -13.615 0.084 1.00 0.00 C ATOM 1016 C ASN A 68 3.247 -13.530 -1.324 1.00 0.00 C ATOM 1017 O ASN A 68 3.978 -13.597 -2.312 1.00 0.00 O ATOM 1018 CB ASN A 68 3.421 -12.379 0.890 1.00 0.00 C ATOM 1019 CG ASN A 68 2.440 -12.697 2.002 1.00 0.00 C ATOM 1020 OD1 ASN A 68 2.495 -13.923 2.514 1.00 0.00 O flip ATOM 1021 ND2 ASN A 68 1.642 -11.848 2.399 1.00 0.00 N flip ATOM 0 H ASN A 68 5.773 -12.855 -0.060 1.00 0.00 H new ATOM 0 HA ASN A 68 3.422 -14.504 0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.313 -11.923 1.318 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.977 -11.643 0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.634 -10.919 1.978 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.989 -12.073 3.149 1.00 0.00 H new ATOM 1028 N ASN A 69 1.928 -13.396 -1.407 1.00 0.00 N ATOM 1029 CA ASN A 69 1.241 -13.321 -2.692 1.00 0.00 C ATOM 1030 C ASN A 69 1.481 -11.982 -3.384 1.00 0.00 C ATOM 1031 O ASN A 69 1.614 -11.924 -4.607 1.00 0.00 O ATOM 1032 CB ASN A 69 -0.260 -13.543 -2.500 1.00 0.00 C ATOM 1033 CG ASN A 69 -0.980 -13.787 -3.812 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -0.464 -14.465 -4.700 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -2.179 -13.233 -3.940 1.00 0.00 N ATOM 0 H ASN A 69 1.311 -13.337 -0.597 1.00 0.00 H new ATOM 0 HA ASN A 69 1.648 -14.106 -3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.417 -14.395 -1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.693 -12.673 -2.007 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.711 -13.362 -4.801 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.569 -12.678 -3.178 1.00 0.00 H new ATOM 1042 N ILE A 70 1.510 -10.903 -2.604 1.00 0.00 N ATOM 1043 CA ILE A 70 1.694 -9.564 -3.165 1.00 0.00 C ATOM 1044 C ILE A 70 3.098 -9.375 -3.753 1.00 0.00 C ATOM 1045 O ILE A 70 3.235 -8.928 -4.891 1.00 0.00 O ATOM 1046 CB ILE A 70 1.409 -8.445 -2.136 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.428 -8.924 -1.057 1.00 0.00 C ATOM 1048 CG2 ILE A 70 0.864 -7.207 -2.840 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.901 -9.406 -1.600 1.00 0.00 C ATOM 0 H ILE A 70 1.409 -10.928 -1.589 1.00 0.00 H new ATOM 0 HA ILE A 70 0.963 -9.481 -3.969 1.00 0.00 H new ATOM 0 HB ILE A 70 2.348 -8.186 -1.646 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.892 -9.732 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.248 -8.108 -0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.668 -6.427 -2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.596 -6.848 -3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.062 -7.460 -3.356 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.536 -9.727 -0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.389 -8.595 -2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.735 -10.244 -2.277 1.00 0.00 H new ATOM 1061 N PRO A 71 4.165 -9.704 -2.996 1.00 0.00 N ATOM 1062 CA PRO A 71 5.545 -9.557 -3.479 1.00 0.00 C ATOM 1063 C PRO A 71 5.829 -10.437 -4.692 1.00 0.00 C ATOM 1064 O PRO A 71 6.560 -10.042 -5.600 1.00 0.00 O ATOM 1065 CB PRO A 71 6.398 -10.000 -2.286 1.00 0.00 C ATOM 1066 CG PRO A 71 5.491 -10.847 -1.465 1.00 0.00 C ATOM 1067 CD PRO A 71 4.125 -10.247 -1.626 1.00 0.00 C ATOM 0 HA PRO A 71 5.752 -8.539 -3.808 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.274 -10.560 -2.612 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.760 -9.143 -1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.507 -11.883 -1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.797 -10.850 -0.419 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.339 -10.993 -1.510 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.936 -9.468 -0.888 1.00 0.00 H new ATOM 1075 N LEU A 72 5.251 -11.634 -4.695 1.00 0.00 N ATOM 1076 CA LEU A 72 5.446 -12.575 -5.791 1.00 0.00 C ATOM 1077 C LEU A 72 4.784 -12.071 -7.071 1.00 0.00 C ATOM 1078 O LEU A 72 5.195 -12.430 -8.175 1.00 0.00 O ATOM 1079 CB LEU A 72 4.880 -13.946 -5.418 1.00 0.00 C ATOM 1080 CG LEU A 72 5.360 -15.105 -6.296 1.00 0.00 C ATOM 1081 CD1 LEU A 72 6.127 -16.121 -5.463 1.00 0.00 C ATOM 1082 CD2 LEU A 72 4.184 -15.765 -6.998 1.00 0.00 C ATOM 0 H LEU A 72 4.643 -11.975 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 72 6.517 -12.666 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.143 -14.161 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.792 -13.899 -5.467 1.00 0.00 H new ATOM 0 HG LEU A 72 6.032 -14.707 -7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.461 -16.938 -6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.992 -15.639 -5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.478 -16.515 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.544 -16.586 -7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.486 -16.150 -6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.677 -15.032 -7.626 1.00 0.00 H new ATOM 1094 N ASP A 73 3.758 -11.240 -6.915 1.00 0.00 N ATOM 1095 CA ASP A 73 3.036 -10.693 -8.059 1.00 0.00 C ATOM 1096 C ASP A 73 3.910 -9.721 -8.845 1.00 0.00 C ATOM 1097 O ASP A 73 4.148 -9.911 -10.038 1.00 0.00 O ATOM 1098 CB ASP A 73 1.762 -9.984 -7.595 1.00 0.00 C ATOM 1099 CG ASP A 73 0.522 -10.836 -7.787 1.00 0.00 C ATOM 1100 OD1 ASP A 73 0.617 -12.070 -7.613 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.542 -10.271 -8.113 1.00 0.00 O ATOM 0 H ASP A 73 3.408 -10.931 -6.008 1.00 0.00 H new ATOM 0 HA ASP A 73 2.767 -11.523 -8.713 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.859 -9.721 -6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.647 -9.051 -8.147 1.00 0.00 H new ATOM 1106 N ALA A 74 4.378 -8.676 -8.170 1.00 0.00 N ATOM 1107 CA ALA A 74 5.223 -7.672 -8.806 1.00 0.00 C ATOM 1108 C ALA A 74 6.538 -8.281 -9.279 1.00 0.00 C ATOM 1109 O ALA A 74 7.063 -7.908 -10.328 1.00 0.00 O ATOM 1110 CB ALA A 74 5.485 -6.522 -7.847 1.00 0.00 C ATOM 0 H ALA A 74 4.186 -8.503 -7.183 1.00 0.00 H new ATOM 0 HA ALA A 74 4.697 -7.289 -9.680 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.117 -5.779 -8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.538 -6.063 -7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.988 -6.898 -6.956 1.00 0.00 H new ATOM 1116 N ARG A 75 7.061 -9.224 -8.502 1.00 0.00 N ATOM 1117 CA ARG A 75 8.311 -9.893 -8.845 1.00 0.00 C ATOM 1118 C ARG A 75 8.166 -10.681 -10.142 1.00 0.00 C ATOM 1119 O ARG A 75 9.128 -10.837 -10.896 1.00 0.00 O ATOM 1120 CB ARG A 75 8.739 -10.825 -7.708 1.00 0.00 C ATOM 1121 CG ARG A 75 9.951 -11.682 -8.041 1.00 0.00 C ATOM 1122 CD ARG A 75 10.857 -11.861 -6.833 1.00 0.00 C ATOM 1123 NE ARG A 75 12.254 -12.041 -7.220 1.00 0.00 N ATOM 1124 CZ ARG A 75 13.283 -11.753 -6.426 1.00 0.00 C ATOM 1125 NH1 ARG A 75 13.073 -11.271 -5.209 1.00 0.00 N ATOM 1126 NH2 ARG A 75 14.524 -11.946 -6.853 1.00 0.00 N ATOM 0 H ARG A 75 6.638 -9.542 -7.630 1.00 0.00 H new ATOM 0 HA ARG A 75 9.078 -9.132 -8.990 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.960 -10.227 -6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.904 -11.477 -7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.621 -12.658 -8.397 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.513 -11.220 -8.853 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.770 -10.991 -6.182 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.526 -12.725 -6.256 1.00 0.00 H new ATOM 0 HE ARG A 75 12.452 -12.408 -8.151 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.120 -11.120 -4.878 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.864 -11.052 -4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.690 -12.315 -7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.313 -11.725 -6.245 1.00 0.00 H new ATOM 1140 N ASN A 76 6.957 -11.171 -10.400 1.00 0.00 N ATOM 1141 CA ASN A 76 6.684 -11.944 -11.605 1.00 0.00 C ATOM 1142 C ASN A 76 6.831 -11.082 -12.855 1.00 0.00 C ATOM 1143 O ASN A 76 7.772 -11.252 -13.630 1.00 0.00 O ATOM 1144 CB ASN A 76 5.277 -12.539 -11.545 1.00 0.00 C ATOM 1145 CG ASN A 76 5.038 -13.572 -12.628 1.00 0.00 C ATOM 1146 OD1 ASN A 76 4.696 -13.235 -13.761 1.00 0.00 O ATOM 1147 ND2 ASN A 76 5.218 -14.843 -12.283 1.00 0.00 N ATOM 0 H ASN A 76 6.150 -11.046 -9.789 1.00 0.00 H new ATOM 0 HA ASN A 76 7.413 -12.753 -11.658 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.121 -12.998 -10.569 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.543 -11.739 -11.642 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.072 -15.583 -12.969 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.502 -15.078 -11.332 1.00 0.00 H new ATOM 1154 N HIS A 77 5.893 -10.157 -13.046 1.00 0.00 N ATOM 1155 CA HIS A 77 5.920 -9.267 -14.202 1.00 0.00 C ATOM 1156 C HIS A 77 7.223 -8.476 -14.245 1.00 0.00 C ATOM 1157 O HIS A 77 7.760 -8.204 -15.319 1.00 0.00 O ATOM 1158 CB HIS A 77 4.728 -8.310 -14.164 1.00 0.00 C ATOM 1159 CG HIS A 77 4.133 -8.043 -15.511 1.00 0.00 C ATOM 1160 ND1 HIS A 77 4.347 -6.855 -16.168 1.00 0.00 N ATOM 1161 CD2 HIS A 77 3.347 -8.839 -16.278 1.00 0.00 C ATOM 1162 CE1 HIS A 77 3.691 -6.949 -17.311 1.00 0.00 C ATOM 1163 NE2 HIS A 77 3.071 -8.133 -17.421 1.00 0.00 N ATOM 0 H HIS A 77 5.106 -10.005 -12.415 1.00 0.00 H new ATOM 0 HA HIS A 77 5.856 -9.877 -15.103 1.00 0.00 H new ATOM 0 HB2 HIS A 77 3.960 -8.725 -13.512 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.045 -7.365 -13.722 1.00 0.00 H new ATOM 0 HD1 HIS A 77 4.899 -6.063 -15.840 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.005 -9.834 -16.036 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.658 -6.172 -18.060 1.00 0.00 H new ATOM 1171 N GLY A 78 7.725 -8.114 -13.070 1.00 0.00 N ATOM 1172 CA GLY A 78 8.969 -7.372 -12.989 1.00 0.00 C ATOM 1173 C GLY A 78 8.757 -5.876 -12.866 1.00 0.00 C ATOM 1174 O GLY A 78 8.880 -5.142 -13.847 1.00 0.00 O ATOM 0 H GLY A 78 7.292 -8.322 -12.170 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.541 -7.724 -12.131 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.567 -7.577 -13.877 1.00 0.00 H new ATOM 1178 N TYR A 79 8.450 -5.420 -11.655 1.00 0.00 N ATOM 1179 CA TYR A 79 8.248 -3.996 -11.404 1.00 0.00 C ATOM 1180 C TYR A 79 9.592 -3.291 -11.245 1.00 0.00 C ATOM 1181 O TYR A 79 10.617 -3.783 -11.714 1.00 0.00 O ATOM 1182 CB TYR A 79 7.394 -3.791 -10.148 1.00 0.00 C ATOM 1183 CG TYR A 79 6.283 -2.775 -10.317 1.00 0.00 C ATOM 1184 CD1 TYR A 79 6.481 -1.608 -11.048 1.00 0.00 C ATOM 1185 CD2 TYR A 79 5.040 -2.977 -9.730 1.00 0.00 C ATOM 1186 CE1 TYR A 79 5.468 -0.679 -11.197 1.00 0.00 C ATOM 1187 CE2 TYR A 79 4.024 -2.052 -9.876 1.00 0.00 C ATOM 1188 CZ TYR A 79 4.243 -0.906 -10.609 1.00 0.00 C ATOM 1189 OH TYR A 79 3.234 0.018 -10.753 1.00 0.00 O ATOM 0 H TYR A 79 8.336 -6.014 -10.834 1.00 0.00 H new ATOM 0 HA TYR A 79 7.724 -3.565 -12.257 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.957 -4.747 -9.858 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.040 -3.474 -9.329 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.442 -1.425 -11.506 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.865 -3.871 -9.150 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.636 0.220 -11.771 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.062 -2.227 -9.417 1.00 0.00 H new ATOM 0 HH TYR A 79 3.238 0.367 -11.669 1.00 0.00 H new ATOM 1199 N THR A 80 9.583 -2.141 -10.577 1.00 0.00 N ATOM 1200 CA THR A 80 10.810 -1.388 -10.349 1.00 0.00 C ATOM 1201 C THR A 80 11.680 -2.087 -9.312 1.00 0.00 C ATOM 1202 O THR A 80 12.645 -2.771 -9.655 1.00 0.00 O ATOM 1203 CB THR A 80 10.488 0.033 -9.887 1.00 0.00 C ATOM 1204 OG1 THR A 80 9.376 0.550 -10.598 1.00 0.00 O ATOM 1205 CG2 THR A 80 11.639 0.997 -10.067 1.00 0.00 C ATOM 0 H THR A 80 8.744 -1.713 -10.186 1.00 0.00 H new ATOM 0 HA THR A 80 11.358 -1.336 -11.290 1.00 0.00 H new ATOM 0 HB THR A 80 10.272 -0.051 -8.822 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.549 0.316 -10.127 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.343 1.987 -9.719 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.497 0.651 -9.490 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.909 1.049 -11.122 1.00 0.00 H new ATOM 1213 N VAL A 81 11.326 -1.921 -8.041 1.00 0.00 N ATOM 1214 CA VAL A 81 12.067 -2.550 -6.954 1.00 0.00 C ATOM 1215 C VAL A 81 11.125 -3.282 -6.001 1.00 0.00 C ATOM 1216 O VAL A 81 9.994 -2.853 -5.777 1.00 0.00 O ATOM 1217 CB VAL A 81 12.908 -1.521 -6.164 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.548 -0.514 -7.109 1.00 0.00 C ATOM 1219 CG2 VAL A 81 12.063 -0.812 -5.118 1.00 0.00 C ATOM 0 H VAL A 81 10.532 -1.357 -7.739 1.00 0.00 H new ATOM 0 HA VAL A 81 12.746 -3.271 -7.409 1.00 0.00 H new ATOM 0 HB VAL A 81 13.701 -2.061 -5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.136 0.202 -6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 81 14.198 -1.036 -7.811 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.769 0.014 -7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.680 -0.094 -4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.242 -0.289 -5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.661 -1.544 -4.418 1.00 0.00 H new ATOM 1229 N LEU A 82 11.604 -4.391 -5.454 1.00 0.00 N ATOM 1230 CA LEU A 82 10.827 -5.204 -4.527 1.00 0.00 C ATOM 1231 C LEU A 82 11.624 -5.469 -3.252 1.00 0.00 C ATOM 1232 O LEU A 82 12.633 -6.173 -3.279 1.00 0.00 O ATOM 1233 CB LEU A 82 10.452 -6.537 -5.187 1.00 0.00 C ATOM 1234 CG LEU A 82 8.975 -6.699 -5.562 1.00 0.00 C ATOM 1235 CD1 LEU A 82 8.125 -6.877 -4.315 1.00 0.00 C ATOM 1236 CD2 LEU A 82 8.491 -5.512 -6.383 1.00 0.00 C ATOM 0 H LEU A 82 12.540 -4.752 -5.639 1.00 0.00 H new ATOM 0 HA LEU A 82 9.918 -4.661 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.052 -6.657 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.727 -7.347 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 82 8.874 -7.595 -6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.079 -6.991 -4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.452 -7.766 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.233 -6.003 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.440 -5.650 -6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.607 -4.597 -5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.079 -5.438 -7.298 1.00 0.00 H new ATOM 1248 N ASP A 83 11.177 -4.893 -2.138 1.00 0.00 N ATOM 1249 CA ASP A 83 11.861 -5.069 -0.862 1.00 0.00 C ATOM 1250 C ASP A 83 10.894 -5.549 0.213 1.00 0.00 C ATOM 1251 O ASP A 83 9.680 -5.407 0.075 1.00 0.00 O ATOM 1252 CB ASP A 83 12.519 -3.758 -0.427 1.00 0.00 C ATOM 1253 CG ASP A 83 13.736 -3.416 -1.264 1.00 0.00 C ATOM 1254 OD1 ASP A 83 14.523 -4.335 -1.573 1.00 0.00 O ATOM 1255 OD2 ASP A 83 13.902 -2.227 -1.608 1.00 0.00 O ATOM 0 H ASP A 83 10.347 -4.302 -2.094 1.00 0.00 H new ATOM 0 HA ASP A 83 12.632 -5.828 -0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.793 -2.949 -0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.811 -3.831 0.621 1.00 0.00 H new ATOM 1260 N ILE A 84 11.438 -6.131 1.277 1.00 0.00 N ATOM 1261 CA ILE A 84 10.615 -6.640 2.369 1.00 0.00 C ATOM 1262 C ILE A 84 11.252 -6.371 3.727 1.00 0.00 C ATOM 1263 O ILE A 84 12.316 -5.758 3.822 1.00 0.00 O ATOM 1264 CB ILE A 84 10.357 -8.156 2.234 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.645 -8.956 2.486 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.774 -8.482 0.868 1.00 0.00 C ATOM 1267 CD1 ILE A 84 12.686 -8.817 1.394 1.00 0.00 C ATOM 0 H ILE A 84 12.441 -6.262 1.406 1.00 0.00 H new ATOM 0 HA ILE A 84 9.666 -6.108 2.305 1.00 0.00 H new ATOM 0 HB ILE A 84 9.629 -8.445 2.992 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.081 -8.633 3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 84 11.389 -10.010 2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.600 -9.555 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.831 -7.951 0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.473 -8.173 0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 84 13.563 -9.412 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.271 -9.168 0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.974 -7.770 1.297 1.00 0.00 H new ATOM 1279 N GLN A 85 10.579 -6.834 4.775 1.00 0.00 N ATOM 1280 CA GLN A 85 11.060 -6.674 6.140 1.00 0.00 C ATOM 1281 C GLN A 85 10.492 -7.774 7.031 1.00 0.00 C ATOM 1282 O GLN A 85 9.824 -8.688 6.548 1.00 0.00 O ATOM 1283 CB GLN A 85 10.669 -5.299 6.685 1.00 0.00 C ATOM 1284 CG GLN A 85 11.708 -4.223 6.414 1.00 0.00 C ATOM 1285 CD GLN A 85 11.954 -3.335 7.618 1.00 0.00 C ATOM 1286 OE1 GLN A 85 11.220 -2.377 7.859 1.00 0.00 O ATOM 1287 NE2 GLN A 85 12.992 -3.652 8.383 1.00 0.00 N ATOM 0 H GLN A 85 9.690 -7.328 4.702 1.00 0.00 H new ATOM 0 HA GLN A 85 12.147 -6.751 6.137 1.00 0.00 H new ATOM 0 HB2 GLN A 85 9.720 -4.997 6.241 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.508 -5.375 7.760 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.645 -4.694 6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 85 11.380 -3.609 5.575 1.00 0.00 H new ATOM 0 HE21 GLN A 85 13.574 -4.455 8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.207 -3.092 9.208 1.00 0.00 H new ATOM 1296 N GLN A 86 10.747 -7.679 8.331 1.00 0.00 N ATOM 1297 CA GLN A 86 10.252 -8.675 9.274 1.00 0.00 C ATOM 1298 C GLN A 86 9.696 -8.017 10.532 1.00 0.00 C ATOM 1299 O GLN A 86 10.428 -7.366 11.279 1.00 0.00 O ATOM 1300 CB GLN A 86 11.364 -9.656 9.645 1.00 0.00 C ATOM 1301 CG GLN A 86 10.873 -11.080 9.856 1.00 0.00 C ATOM 1302 CD GLN A 86 10.507 -11.366 11.299 1.00 0.00 C ATOM 1303 OE1 GLN A 86 10.547 -10.478 12.152 1.00 0.00 O ATOM 1304 NE2 GLN A 86 10.146 -12.613 11.580 1.00 0.00 N ATOM 0 H GLN A 86 11.291 -6.927 8.754 1.00 0.00 H new ATOM 0 HA GLN A 86 9.442 -9.220 8.789 1.00 0.00 H new ATOM 0 HB2 GLN A 86 12.118 -9.653 8.857 1.00 0.00 H new ATOM 0 HB3 GLN A 86 11.853 -9.310 10.556 1.00 0.00 H new ATOM 0 HG2 GLN A 86 10.003 -11.257 9.223 1.00 0.00 H new ATOM 0 HG3 GLN A 86 11.647 -11.778 9.537 1.00 0.00 H new ATOM 0 HE21 GLN A 86 10.127 -13.317 10.842 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.888 -12.867 12.534 1.00 0.00 H new ATOM 1313 N ASP A 87 8.400 -8.197 10.762 1.00 0.00 N ATOM 1314 CA ASP A 87 7.744 -7.634 11.936 1.00 0.00 C ATOM 1315 C ASP A 87 7.429 -8.726 12.952 1.00 0.00 C ATOM 1316 O ASP A 87 7.788 -9.888 12.757 1.00 0.00 O ATOM 1317 CB ASP A 87 6.458 -6.912 11.530 1.00 0.00 C ATOM 1318 CG ASP A 87 6.693 -5.450 11.203 1.00 0.00 C ATOM 1319 OD1 ASP A 87 7.498 -4.804 11.907 1.00 0.00 O ATOM 1320 OD2 ASP A 87 6.069 -4.948 10.243 1.00 0.00 O ATOM 0 H ASP A 87 7.782 -8.729 10.150 1.00 0.00 H new ATOM 0 HA ASP A 87 8.424 -6.917 12.396 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.024 -7.410 10.663 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.731 -6.988 12.339 1.00 0.00 H new ATOM 1325 N GLY A 88 6.768 -8.348 14.041 1.00 0.00 N ATOM 1326 CA GLY A 88 6.420 -9.315 15.064 1.00 0.00 C ATOM 1327 C GLY A 88 5.037 -9.080 15.649 1.00 0.00 C ATOM 1328 O GLY A 88 4.791 -8.036 16.253 1.00 0.00 O ATOM 0 H GLY A 88 6.468 -7.392 14.233 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.465 -10.318 14.640 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.160 -9.274 15.863 1.00 0.00 H new ATOM 1332 N PRO A 89 4.102 -10.039 15.490 1.00 0.00 N ATOM 1333 CA PRO A 89 4.332 -11.304 14.809 1.00 0.00 C ATOM 1334 C PRO A 89 3.796 -11.308 13.378 1.00 0.00 C ATOM 1335 O PRO A 89 2.844 -12.024 13.066 1.00 0.00 O ATOM 1336 CB PRO A 89 3.524 -12.262 15.680 1.00 0.00 C ATOM 1337 CG PRO A 89 2.359 -11.449 16.166 1.00 0.00 C ATOM 1338 CD PRO A 89 2.736 -9.987 16.024 1.00 0.00 C ATOM 0 HA PRO A 89 5.389 -11.548 14.705 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.191 -13.129 15.110 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.119 -12.637 16.512 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.465 -11.673 15.584 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.131 -11.688 17.205 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.060 -9.461 15.349 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.698 -9.467 16.981 1.00 0.00 H new ATOM 1346 N THR A 90 4.403 -10.501 12.512 1.00 0.00 N ATOM 1347 CA THR A 90 3.970 -10.412 11.120 1.00 0.00 C ATOM 1348 C THR A 90 5.146 -10.125 10.192 1.00 0.00 C ATOM 1349 O THR A 90 6.300 -10.112 10.619 1.00 0.00 O ATOM 1350 CB THR A 90 2.911 -9.316 10.969 1.00 0.00 C ATOM 1351 OG1 THR A 90 3.243 -8.187 11.758 1.00 0.00 O ATOM 1352 CG2 THR A 90 1.522 -9.762 11.367 1.00 0.00 C ATOM 0 H THR A 90 5.193 -9.901 12.748 1.00 0.00 H new ATOM 0 HA THR A 90 3.541 -11.374 10.839 1.00 0.00 H new ATOM 0 HB THR A 90 2.903 -9.069 9.907 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.556 -7.497 11.647 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.823 -8.936 11.235 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.216 -10.600 10.741 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.525 -10.071 12.412 1.00 0.00 H new ATOM 1360 N ILE A 91 4.843 -9.898 8.917 1.00 0.00 N ATOM 1361 CA ILE A 91 5.869 -9.608 7.921 1.00 0.00 C ATOM 1362 C ILE A 91 5.430 -8.453 7.020 1.00 0.00 C ATOM 1363 O ILE A 91 4.235 -8.227 6.832 1.00 0.00 O ATOM 1364 CB ILE A 91 6.186 -10.851 7.069 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.218 -10.512 5.990 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.913 -11.408 6.448 1.00 0.00 C ATOM 1367 CD1 ILE A 91 8.280 -11.573 5.811 1.00 0.00 C ATOM 0 H ILE A 91 3.892 -9.909 8.549 1.00 0.00 H new ATOM 0 HA ILE A 91 6.776 -9.318 8.452 1.00 0.00 H new ATOM 0 HB ILE A 91 6.612 -11.618 7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.703 -10.362 5.041 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.699 -9.568 6.244 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.154 -12.286 5.849 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.215 -11.688 7.237 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.456 -10.650 5.812 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.975 -11.264 5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.822 -11.707 6.747 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.810 -12.514 5.526 1.00 0.00 H new ATOM 1379 N ARG A 92 6.400 -7.711 6.486 1.00 0.00 N ATOM 1380 CA ARG A 92 6.107 -6.551 5.665 1.00 0.00 C ATOM 1381 C ARG A 92 6.759 -6.655 4.280 1.00 0.00 C ATOM 1382 O ARG A 92 7.878 -7.148 4.144 1.00 0.00 O ATOM 1383 CB ARG A 92 6.592 -5.294 6.393 1.00 0.00 C ATOM 1384 CG ARG A 92 6.759 -4.090 5.491 1.00 0.00 C ATOM 1385 CD ARG A 92 5.430 -3.669 4.892 1.00 0.00 C ATOM 1386 NE ARG A 92 4.750 -2.669 5.711 1.00 0.00 N ATOM 1387 CZ ARG A 92 5.176 -1.418 5.859 1.00 0.00 C ATOM 1388 NH1 ARG A 92 6.280 -1.011 5.246 1.00 0.00 N ATOM 1389 NH2 ARG A 92 4.499 -0.571 6.622 1.00 0.00 N ATOM 0 H ARG A 92 7.395 -7.898 6.611 1.00 0.00 H new ATOM 0 HA ARG A 92 5.030 -6.498 5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.884 -5.048 7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.546 -5.510 6.875 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.184 -3.262 6.059 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.463 -4.324 4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.595 -3.267 3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 92 4.789 -4.544 4.782 1.00 0.00 H new ATOM 0 HE ARG A 92 3.898 -2.947 6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.805 -1.658 4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.603 -0.051 5.362 1.00 0.00 H new ATOM 0 HH21 ARG A 92 3.650 -0.879 7.097 1.00 0.00 H new ATOM 0 HH22 ARG A 92 4.827 0.388 6.735 1.00 0.00 H new ATOM 1403 N TYR A 93 6.043 -6.177 3.260 1.00 0.00 N ATOM 1404 CA TYR A 93 6.540 -6.175 1.884 1.00 0.00 C ATOM 1405 C TYR A 93 6.224 -4.841 1.215 1.00 0.00 C ATOM 1406 O TYR A 93 5.059 -4.487 1.054 1.00 0.00 O ATOM 1407 CB TYR A 93 5.902 -7.307 1.071 1.00 0.00 C ATOM 1408 CG TYR A 93 5.856 -8.642 1.777 1.00 0.00 C ATOM 1409 CD1 TYR A 93 4.896 -8.908 2.744 1.00 0.00 C ATOM 1410 CD2 TYR A 93 6.749 -9.653 1.447 1.00 0.00 C ATOM 1411 CE1 TYR A 93 4.843 -10.133 3.379 1.00 0.00 C ATOM 1412 CE2 TYR A 93 6.704 -10.881 2.077 1.00 0.00 C ATOM 1413 CZ TYR A 93 5.749 -11.117 3.040 1.00 0.00 C ATOM 1414 OH TYR A 93 5.702 -12.338 3.670 1.00 0.00 O ATOM 0 H TYR A 93 5.108 -5.783 3.364 1.00 0.00 H new ATOM 0 HA TYR A 93 7.619 -6.326 1.916 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.886 -7.017 0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.455 -7.423 0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.178 -8.144 3.004 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.492 -9.476 0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.097 -10.320 4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.414 -11.652 1.816 1.00 0.00 H new ATOM 0 HH TYR A 93 6.418 -12.912 3.326 1.00 0.00 H new ATOM 1424 N LEU A 94 7.256 -4.101 0.821 1.00 0.00 N ATOM 1425 CA LEU A 94 7.052 -2.800 0.190 1.00 0.00 C ATOM 1426 C LEU A 94 7.878 -2.654 -1.079 1.00 0.00 C ATOM 1427 O LEU A 94 8.993 -3.168 -1.173 1.00 0.00 O ATOM 1428 CB LEU A 94 7.405 -1.676 1.166 1.00 0.00 C ATOM 1429 CG LEU A 94 8.761 -1.822 1.857 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.371 -0.455 2.130 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.616 -2.612 3.146 1.00 0.00 C ATOM 0 H LEU A 94 8.233 -4.376 0.926 1.00 0.00 H new ATOM 0 HA LEU A 94 5.999 -2.731 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.389 -0.729 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.629 -1.621 1.930 1.00 0.00 H new ATOM 0 HG LEU A 94 9.431 -2.368 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.336 -0.579 2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.510 0.076 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.705 0.118 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.590 -2.707 3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.931 -2.093 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.223 -3.604 2.923 1.00 0.00 H new ATOM 1443 N ILE A 95 7.323 -1.934 -2.047 1.00 0.00 N ATOM 1444 CA ILE A 95 8.001 -1.690 -3.314 1.00 0.00 C ATOM 1445 C ILE A 95 7.986 -0.200 -3.646 1.00 0.00 C ATOM 1446 O ILE A 95 7.197 0.557 -3.084 1.00 0.00 O ATOM 1447 CB ILE A 95 7.358 -2.505 -4.466 1.00 0.00 C ATOM 1448 CG1 ILE A 95 6.280 -1.690 -5.193 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.763 -3.797 -3.929 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.799 -0.956 -6.409 1.00 0.00 C ATOM 0 H ILE A 95 6.399 -1.507 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 95 9.035 -2.019 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 95 8.142 -2.744 -5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.474 -2.358 -5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.851 -0.968 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.315 -4.359 -4.748 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.548 -4.394 -3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.999 -3.565 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.984 -0.401 -6.874 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.585 -0.263 -6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.202 -1.674 -7.123 1.00 0.00 H new ATOM 1462 N GLN A 96 8.864 0.218 -4.551 1.00 0.00 N ATOM 1463 CA GLN A 96 8.929 1.620 -4.954 1.00 0.00 C ATOM 1464 C GLN A 96 9.360 1.748 -6.413 1.00 0.00 C ATOM 1465 O GLN A 96 10.038 0.871 -6.949 1.00 0.00 O ATOM 1466 CB GLN A 96 9.882 2.398 -4.038 1.00 0.00 C ATOM 1467 CG GLN A 96 11.335 2.381 -4.490 1.00 0.00 C ATOM 1468 CD GLN A 96 11.897 3.773 -4.702 1.00 0.00 C ATOM 1469 OE1 GLN A 96 11.164 4.761 -4.689 1.00 0.00 O ATOM 1470 NE2 GLN A 96 13.208 3.857 -4.896 1.00 0.00 N ATOM 0 H GLN A 96 9.538 -0.389 -5.018 1.00 0.00 H new ATOM 0 HA GLN A 96 7.931 2.049 -4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.545 3.433 -3.976 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.821 1.982 -3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.937 1.860 -3.746 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.416 1.815 -5.418 1.00 0.00 H new ATOM 0 HE21 GLN A 96 13.778 3.011 -4.899 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.645 4.767 -5.042 1.00 0.00 H new ATOM 1479 N LYS A 97 8.964 2.847 -7.050 1.00 0.00 N ATOM 1480 CA LYS A 97 9.304 3.088 -8.448 1.00 0.00 C ATOM 1481 C LYS A 97 10.034 4.417 -8.608 1.00 0.00 C ATOM 1482 O LYS A 97 9.373 5.471 -8.498 1.00 0.00 O ATOM 1483 CB LYS A 97 8.036 3.080 -9.307 1.00 0.00 C ATOM 1484 CG LYS A 97 8.268 3.505 -10.748 1.00 0.00 C ATOM 1485 CD LYS A 97 7.429 2.684 -11.715 1.00 0.00 C ATOM 1486 CE LYS A 97 8.251 2.216 -12.905 1.00 0.00 C ATOM 1487 NZ LYS A 97 7.622 1.057 -13.596 1.00 0.00 N ATOM 1488 OXT LYS A 97 11.261 4.394 -8.844 1.00 0.00 O ATOM 0 H LYS A 97 8.407 3.585 -6.619 1.00 0.00 H new ATOM 0 HA LYS A 97 9.967 2.289 -8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.609 2.077 -9.298 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.299 3.745 -8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.024 4.561 -10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.324 3.393 -10.996 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.014 1.820 -11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.587 3.281 -12.065 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.368 3.039 -13.610 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.250 1.939 -12.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 7.812 1.116 -14.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.019 0.172 -13.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.595 1.072 -13.434 1.00 0.00 H new TER 1502 LYS A 97