USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 922 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 103 TYR OH : rot 130:sc= 0 USER MOD Set 1.2: A 107 HIS :FLIP no HD1:sc= -0.386 F(o=-1.1,f=-0.39) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -18:sc= 0.687 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 152:sc= -0.137 (180deg=-0.747) USER MOD Single : A 21 THR OG1 : rot 156:sc= 0.191 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 24 CYS SG : rot 180:sc= -2.17! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.118 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.88! C(o=-2.9!,f=-9.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 57:sc= 1.1 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 35:sc= 0.171 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.137 F(o=-0.66,f=-0.14) USER MOD Single : A 67 ASN : amide:sc= -0.581 K(o=-0.58,f=-3.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.251 F(o=-0.81,f=-0.25) USER MOD Single : A 74 HIS : no HD1:sc= -0.635 X(o=-0.63,f=-0.44) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -125:sc= 0.00602 (180deg=-0.739) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 93 SER OG : rot 26:sc= 0.282 USER MOD Single : A 94 CYS SG : rot 138:sc= 1 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 96 SER OG : rot 180:sc= -0.179 USER MOD Single : A 102 ASN : amide:sc=-0.00826 X(o=-0.0083,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 12:sc= 1.12 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.135 -15.510 -46.891 1.00 0.00 N ATOM 2 CA GLY A 1 18.631 -16.044 -45.635 1.00 0.00 C ATOM 3 C GLY A 1 18.012 -15.363 -44.430 1.00 0.00 C ATOM 4 O GLY A 1 18.146 -14.152 -44.256 1.00 0.00 O ATOM 0 H1 GLY A 1 18.588 -16.008 -47.683 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.105 -15.643 -46.942 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.356 -14.495 -46.948 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.423 -17.113 -45.591 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.714 -15.928 -45.597 1.00 0.00 H new ATOM 8 N SER A 2 17.331 -16.143 -43.598 1.00 0.00 N ATOM 9 CA SER A 2 16.684 -15.607 -42.405 1.00 0.00 C ATOM 10 C SER A 2 16.456 -16.705 -41.371 1.00 0.00 C ATOM 11 O SER A 2 16.541 -17.893 -41.681 1.00 0.00 O ATOM 12 CB SER A 2 15.351 -14.953 -42.773 1.00 0.00 C ATOM 13 OG SER A 2 15.533 -13.932 -43.740 1.00 0.00 O ATOM 0 H SER A 2 17.212 -17.148 -43.727 1.00 0.00 H new ATOM 0 HA SER A 2 17.343 -14.855 -41.971 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.667 -15.708 -43.161 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.889 -14.534 -41.879 1.00 0.00 H new ATOM 0 HG SER A 2 16.476 -13.665 -43.761 1.00 0.00 H new ATOM 19 N SER A 3 16.167 -16.298 -40.138 1.00 0.00 N ATOM 20 CA SER A 3 15.930 -17.246 -39.056 1.00 0.00 C ATOM 21 C SER A 3 15.246 -16.563 -37.876 1.00 0.00 C ATOM 22 O SER A 3 15.469 -15.381 -37.613 1.00 0.00 O ATOM 23 CB SER A 3 17.250 -17.873 -38.602 1.00 0.00 C ATOM 24 OG SER A 3 17.055 -18.714 -37.479 1.00 0.00 O ATOM 0 H SER A 3 16.092 -15.318 -39.864 1.00 0.00 H new ATOM 0 HA SER A 3 15.272 -18.031 -39.430 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.683 -18.448 -39.420 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.963 -17.087 -38.352 1.00 0.00 H new ATOM 0 HG SER A 3 17.913 -19.104 -37.209 1.00 0.00 H new ATOM 30 N GLY A 4 14.411 -17.316 -37.167 1.00 0.00 N ATOM 31 CA GLY A 4 13.706 -16.768 -36.024 1.00 0.00 C ATOM 32 C GLY A 4 13.386 -17.819 -34.981 1.00 0.00 C ATOM 33 O GLY A 4 14.288 -18.416 -34.393 1.00 0.00 O ATOM 0 H GLY A 4 14.210 -18.296 -37.364 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.311 -15.983 -35.570 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.780 -16.302 -36.361 1.00 0.00 H new ATOM 37 N SER A 5 12.097 -18.048 -34.749 1.00 0.00 N ATOM 38 CA SER A 5 11.660 -19.032 -33.764 1.00 0.00 C ATOM 39 C SER A 5 12.346 -18.799 -32.422 1.00 0.00 C ATOM 40 O SER A 5 12.817 -19.739 -31.781 1.00 0.00 O ATOM 41 CB SER A 5 11.956 -20.448 -34.262 1.00 0.00 C ATOM 42 OG SER A 5 11.022 -20.846 -35.252 1.00 0.00 O ATOM 0 H SER A 5 11.337 -17.566 -35.229 1.00 0.00 H new ATOM 0 HA SER A 5 10.585 -18.920 -33.626 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.965 -20.489 -34.672 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.923 -21.146 -33.425 1.00 0.00 H new ATOM 0 HG SER A 5 11.234 -21.754 -35.555 1.00 0.00 H new ATOM 48 N SER A 6 12.398 -17.539 -32.003 1.00 0.00 N ATOM 49 CA SER A 6 13.030 -17.180 -30.738 1.00 0.00 C ATOM 50 C SER A 6 11.982 -16.953 -29.652 1.00 0.00 C ATOM 51 O SER A 6 12.097 -16.031 -28.846 1.00 0.00 O ATOM 52 CB SER A 6 13.885 -15.923 -30.909 1.00 0.00 C ATOM 53 OG SER A 6 14.888 -16.118 -31.889 1.00 0.00 O ATOM 0 H SER A 6 12.011 -16.750 -32.520 1.00 0.00 H new ATOM 0 HA SER A 6 13.671 -18.007 -30.433 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.251 -15.084 -31.195 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.348 -15.662 -29.957 1.00 0.00 H new ATOM 0 HG SER A 6 15.419 -15.300 -31.981 1.00 0.00 H new ATOM 59 N GLY A 7 10.958 -17.802 -29.640 1.00 0.00 N ATOM 60 CA GLY A 7 9.904 -17.677 -28.650 1.00 0.00 C ATOM 61 C GLY A 7 8.528 -17.590 -29.278 1.00 0.00 C ATOM 62 O GLY A 7 7.919 -16.520 -29.308 1.00 0.00 O ATOM 0 H GLY A 7 10.840 -18.573 -30.297 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.939 -18.533 -27.976 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.081 -16.788 -28.045 1.00 0.00 H new ATOM 66 N GLU A 8 8.035 -18.718 -29.783 1.00 0.00 N ATOM 67 CA GLU A 8 6.723 -18.761 -30.415 1.00 0.00 C ATOM 68 C GLU A 8 5.636 -18.305 -29.447 1.00 0.00 C ATOM 69 O GLU A 8 4.509 -18.019 -29.850 1.00 0.00 O ATOM 70 CB GLU A 8 6.418 -20.177 -30.910 1.00 0.00 C ATOM 71 CG GLU A 8 5.161 -20.267 -31.760 1.00 0.00 C ATOM 72 CD GLU A 8 5.015 -21.614 -32.443 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.943 -22.008 -33.180 1.00 0.00 O ATOM 74 OE2 GLU A 8 3.973 -22.272 -32.242 1.00 0.00 O ATOM 0 H GLU A 8 8.525 -19.612 -29.766 1.00 0.00 H new ATOM 0 HA GLU A 8 6.736 -18.080 -31.266 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.266 -20.540 -31.491 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.313 -20.839 -30.050 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.288 -20.085 -31.132 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.180 -19.481 -32.515 1.00 0.00 H new ATOM 81 N VAL A 9 5.983 -18.240 -28.165 1.00 0.00 N ATOM 82 CA VAL A 9 5.039 -17.818 -27.138 1.00 0.00 C ATOM 83 C VAL A 9 5.735 -17.005 -26.052 1.00 0.00 C ATOM 84 O VAL A 9 6.647 -17.493 -25.384 1.00 0.00 O ATOM 85 CB VAL A 9 4.337 -19.026 -26.489 1.00 0.00 C ATOM 86 CG1 VAL A 9 3.281 -19.595 -27.423 1.00 0.00 C ATOM 87 CG2 VAL A 9 5.356 -20.091 -26.108 1.00 0.00 C ATOM 0 H VAL A 9 6.911 -18.474 -27.814 1.00 0.00 H new ATOM 0 HA VAL A 9 4.292 -17.196 -27.632 1.00 0.00 H new ATOM 0 HB VAL A 9 3.839 -18.691 -25.580 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.796 -20.447 -26.947 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.537 -18.829 -27.641 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.752 -19.917 -28.352 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.844 -20.938 -25.651 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.884 -20.425 -27.001 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.071 -19.673 -25.399 1.00 0.00 H new ATOM 97 N LEU A 10 5.299 -15.762 -25.879 1.00 0.00 N ATOM 98 CA LEU A 10 5.880 -14.880 -24.873 1.00 0.00 C ATOM 99 C LEU A 10 4.799 -14.306 -23.962 1.00 0.00 C ATOM 100 O LEU A 10 4.420 -13.143 -24.090 1.00 0.00 O ATOM 101 CB LEU A 10 6.651 -13.744 -25.547 1.00 0.00 C ATOM 102 CG LEU A 10 7.319 -12.738 -24.609 1.00 0.00 C ATOM 103 CD1 LEU A 10 8.586 -13.328 -24.009 1.00 0.00 C ATOM 104 CD2 LEU A 10 7.630 -11.444 -25.348 1.00 0.00 C ATOM 0 H LEU A 10 4.545 -15.342 -26.423 1.00 0.00 H new ATOM 0 HA LEU A 10 6.568 -15.467 -24.264 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.419 -14.181 -26.185 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.965 -13.203 -26.199 1.00 0.00 H new ATOM 0 HG LEU A 10 6.627 -12.512 -23.797 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.048 -12.598 -23.344 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.337 -14.226 -23.444 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.282 -13.583 -24.808 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.105 -10.740 -24.665 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.303 -11.653 -26.180 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.705 -11.011 -25.729 1.00 0.00 H new ATOM 116 N ALA A 11 4.308 -15.130 -23.042 1.00 0.00 N ATOM 117 CA ALA A 11 3.274 -14.704 -22.108 1.00 0.00 C ATOM 118 C ALA A 11 3.852 -14.484 -20.714 1.00 0.00 C ATOM 119 O ALA A 11 3.122 -14.184 -19.769 1.00 0.00 O ATOM 120 CB ALA A 11 2.150 -15.730 -22.060 1.00 0.00 C ATOM 0 H ALA A 11 4.610 -16.097 -22.924 1.00 0.00 H new ATOM 0 HA ALA A 11 2.869 -13.755 -22.460 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.385 -15.399 -21.358 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.711 -15.836 -23.052 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.548 -16.691 -21.735 1.00 0.00 H new ATOM 126 N LYS A 12 5.167 -14.634 -20.593 1.00 0.00 N ATOM 127 CA LYS A 12 5.843 -14.451 -19.315 1.00 0.00 C ATOM 128 C LYS A 12 5.969 -12.969 -18.973 1.00 0.00 C ATOM 129 O LYS A 12 5.956 -12.590 -17.803 1.00 0.00 O ATOM 130 CB LYS A 12 7.229 -15.097 -19.350 1.00 0.00 C ATOM 131 CG LYS A 12 8.163 -14.594 -18.262 1.00 0.00 C ATOM 132 CD LYS A 12 9.610 -14.947 -18.564 1.00 0.00 C ATOM 133 CE LYS A 12 10.287 -13.865 -19.392 1.00 0.00 C ATOM 134 NZ LYS A 12 10.351 -12.568 -18.664 1.00 0.00 N ATOM 0 H LYS A 12 5.785 -14.882 -21.365 1.00 0.00 H new ATOM 0 HA LYS A 12 5.244 -14.934 -18.543 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.120 -16.177 -19.252 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.684 -14.909 -20.323 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.063 -13.513 -18.167 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.874 -15.027 -17.304 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.154 -15.086 -17.630 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.650 -15.895 -19.100 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.296 -14.185 -19.653 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.744 -13.730 -20.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.174 -12.024 -18.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.482 -12.025 -18.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.442 -12.747 -17.644 1.00 0.00 H new ATOM 148 N GLU A 13 6.091 -12.137 -20.003 1.00 0.00 N ATOM 149 CA GLU A 13 6.219 -10.698 -19.811 1.00 0.00 C ATOM 150 C GLU A 13 4.943 -10.113 -19.214 1.00 0.00 C ATOM 151 O GLU A 13 4.979 -9.446 -18.181 1.00 0.00 O ATOM 152 CB GLU A 13 6.536 -10.010 -21.140 1.00 0.00 C ATOM 153 CG GLU A 13 7.810 -10.512 -21.798 1.00 0.00 C ATOM 154 CD GLU A 13 8.449 -9.474 -22.700 1.00 0.00 C ATOM 155 OE1 GLU A 13 7.705 -8.687 -23.321 1.00 0.00 O ATOM 156 OE2 GLU A 13 9.695 -9.450 -22.784 1.00 0.00 O ATOM 0 H GLU A 13 6.104 -12.435 -20.978 1.00 0.00 H new ATOM 0 HA GLU A 13 7.039 -10.522 -19.115 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.701 -10.159 -21.824 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.623 -8.937 -20.972 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.522 -10.805 -21.026 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.586 -11.406 -22.381 1.00 0.00 H new ATOM 163 N GLU A 14 3.817 -10.368 -19.873 1.00 0.00 N ATOM 164 CA GLU A 14 2.530 -9.865 -19.408 1.00 0.00 C ATOM 165 C GLU A 14 1.709 -10.982 -18.769 1.00 0.00 C ATOM 166 O GLU A 14 1.785 -12.138 -19.182 1.00 0.00 O ATOM 167 CB GLU A 14 1.750 -9.244 -20.569 1.00 0.00 C ATOM 168 CG GLU A 14 2.135 -7.804 -20.859 1.00 0.00 C ATOM 169 CD GLU A 14 1.561 -7.298 -22.169 1.00 0.00 C ATOM 170 OE1 GLU A 14 1.442 -8.106 -23.114 1.00 0.00 O ATOM 171 OE2 GLU A 14 1.229 -6.097 -22.248 1.00 0.00 O ATOM 0 H GLU A 14 3.770 -10.919 -20.730 1.00 0.00 H new ATOM 0 HA GLU A 14 2.718 -9.099 -18.656 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.912 -9.842 -21.466 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.684 -9.288 -20.345 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.787 -7.168 -20.045 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.221 -7.721 -20.887 1.00 0.00 H new ATOM 178 N ALA A 15 0.925 -10.626 -17.757 1.00 0.00 N ATOM 179 CA ALA A 15 0.089 -11.596 -17.061 1.00 0.00 C ATOM 180 C ALA A 15 -0.871 -10.904 -16.098 1.00 0.00 C ATOM 181 O ALA A 15 -0.508 -9.930 -15.438 1.00 0.00 O ATOM 182 CB ALA A 15 0.954 -12.601 -16.315 1.00 0.00 C ATOM 0 H ALA A 15 0.851 -9.673 -17.401 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.504 -12.126 -17.806 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.316 -13.319 -15.800 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.594 -13.127 -17.024 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.573 -12.078 -15.586 1.00 0.00 H new ATOM 188 N ARG A 16 -2.096 -11.412 -16.023 1.00 0.00 N ATOM 189 CA ARG A 16 -3.108 -10.841 -15.143 1.00 0.00 C ATOM 190 C ARG A 16 -3.032 -11.464 -13.751 1.00 0.00 C ATOM 191 O ARG A 16 -4.034 -11.544 -13.041 1.00 0.00 O ATOM 192 CB ARG A 16 -4.504 -11.051 -15.731 1.00 0.00 C ATOM 193 CG ARG A 16 -5.451 -9.887 -15.484 1.00 0.00 C ATOM 194 CD ARG A 16 -6.197 -10.045 -14.168 1.00 0.00 C ATOM 195 NE ARG A 16 -6.870 -11.337 -14.073 1.00 0.00 N ATOM 196 CZ ARG A 16 -8.026 -11.609 -14.667 1.00 0.00 C ATOM 197 NH1 ARG A 16 -8.633 -10.684 -15.397 1.00 0.00 N ATOM 198 NH2 ARG A 16 -8.576 -12.809 -14.533 1.00 0.00 N ATOM 0 H ARG A 16 -2.412 -12.219 -16.561 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.915 -9.772 -15.056 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.416 -11.215 -16.805 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.936 -11.956 -15.305 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.888 -8.954 -15.474 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.167 -9.819 -16.303 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.497 -9.939 -13.339 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.931 -9.246 -14.069 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.428 -12.071 -13.520 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.212 -9.761 -15.503 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.521 -10.895 -15.852 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.111 -13.524 -13.973 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.464 -13.017 -14.990 1.00 0.00 H new ATOM 212 N ARG A 17 -1.837 -11.903 -13.370 1.00 0.00 N ATOM 213 CA ARG A 17 -1.631 -12.520 -12.065 1.00 0.00 C ATOM 214 C ARG A 17 -1.347 -11.463 -11.003 1.00 0.00 C ATOM 215 O ARG A 17 -0.477 -11.642 -10.150 1.00 0.00 O ATOM 216 CB ARG A 17 -0.474 -13.520 -12.127 1.00 0.00 C ATOM 217 CG ARG A 17 0.840 -12.903 -12.578 1.00 0.00 C ATOM 218 CD ARG A 17 2.032 -13.673 -12.030 1.00 0.00 C ATOM 219 NE ARG A 17 2.299 -13.346 -10.631 1.00 0.00 N ATOM 220 CZ ARG A 17 2.986 -14.133 -9.811 1.00 0.00 C ATOM 221 NH1 ARG A 17 3.475 -15.285 -10.248 1.00 0.00 N ATOM 222 NH2 ARG A 17 3.187 -13.766 -8.552 1.00 0.00 N ATOM 0 H ARG A 17 -0.997 -11.843 -13.946 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.545 -13.048 -11.792 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.337 -13.966 -11.142 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.739 -14.328 -12.809 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.883 -12.890 -13.667 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.890 -11.866 -12.245 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.846 -14.743 -12.123 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.915 -13.449 -12.629 1.00 0.00 H new ATOM 0 HE ARG A 17 1.938 -12.465 -10.264 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.324 -15.569 -11.216 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.002 -15.888 -9.616 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.814 -12.879 -8.214 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.715 -14.371 -7.923 1.00 0.00 H new ATOM 236 N ALA A 18 -2.086 -10.360 -11.060 1.00 0.00 N ATOM 237 CA ALA A 18 -1.915 -9.274 -10.103 1.00 0.00 C ATOM 238 C ALA A 18 -3.234 -8.935 -9.415 1.00 0.00 C ATOM 239 O ALA A 18 -3.675 -7.785 -9.430 1.00 0.00 O ATOM 240 CB ALA A 18 -1.346 -8.044 -10.794 1.00 0.00 C ATOM 0 H ALA A 18 -2.810 -10.195 -11.760 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.211 -9.605 -9.339 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.224 -7.242 -10.066 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.378 -8.288 -11.231 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.028 -7.720 -11.580 1.00 0.00 H new ATOM 246 N LEU A 19 -3.858 -9.941 -8.814 1.00 0.00 N ATOM 247 CA LEU A 19 -5.128 -9.750 -8.122 1.00 0.00 C ATOM 248 C LEU A 19 -4.985 -10.040 -6.632 1.00 0.00 C ATOM 249 O LEU A 19 -5.964 -10.012 -5.888 1.00 0.00 O ATOM 250 CB LEU A 19 -6.203 -10.654 -8.728 1.00 0.00 C ATOM 251 CG LEU A 19 -6.178 -12.117 -8.284 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.753 -12.649 -8.278 1.00 0.00 C ATOM 253 CD2 LEU A 19 -6.811 -12.267 -6.908 1.00 0.00 C ATOM 0 H LEU A 19 -3.506 -10.898 -8.792 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.427 -8.709 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.180 -10.237 -8.483 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.106 -10.623 -9.813 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.759 -12.703 -8.996 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.755 -13.691 -7.959 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.334 -12.577 -9.281 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.148 -12.060 -7.589 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.785 -13.314 -6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.257 -11.668 -6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.846 -11.926 -6.944 1.00 0.00 H new ATOM 265 N GLU A 20 -3.756 -10.315 -6.203 1.00 0.00 N ATOM 266 CA GLU A 20 -3.485 -10.608 -4.801 1.00 0.00 C ATOM 267 C GLU A 20 -3.345 -9.322 -3.993 1.00 0.00 C ATOM 268 O GLU A 20 -3.725 -9.263 -2.824 1.00 0.00 O ATOM 269 CB GLU A 20 -2.213 -11.447 -4.669 1.00 0.00 C ATOM 270 CG GLU A 20 -2.413 -12.914 -5.012 1.00 0.00 C ATOM 271 CD GLU A 20 -1.143 -13.574 -5.515 1.00 0.00 C ATOM 272 OE1 GLU A 20 -0.055 -13.234 -5.004 1.00 0.00 O ATOM 273 OE2 GLU A 20 -1.238 -14.430 -6.419 1.00 0.00 O ATOM 0 H GLU A 20 -2.934 -10.341 -6.806 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.328 -11.175 -4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.445 -11.032 -5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.841 -11.369 -3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.768 -13.445 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.190 -13.003 -5.772 1.00 0.00 H new ATOM 280 N THR A 21 -2.794 -8.290 -4.626 1.00 0.00 N ATOM 281 CA THR A 21 -2.600 -7.004 -3.967 1.00 0.00 C ATOM 282 C THR A 21 -2.814 -5.850 -4.941 1.00 0.00 C ATOM 283 O THR A 21 -2.621 -5.983 -6.149 1.00 0.00 O ATOM 284 CB THR A 21 -1.191 -6.892 -3.356 1.00 0.00 C ATOM 285 OG1 THR A 21 -0.276 -6.372 -4.327 1.00 0.00 O ATOM 286 CG2 THR A 21 -0.704 -8.248 -2.867 1.00 0.00 C ATOM 0 H THR A 21 -2.474 -8.320 -5.594 1.00 0.00 H new ATOM 0 HA THR A 21 -3.339 -6.943 -3.168 1.00 0.00 H new ATOM 0 HB THR A 21 -1.241 -6.213 -2.505 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.477 -5.942 -3.870 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.293 -8.144 -2.440 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.387 -8.627 -2.107 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.669 -8.945 -3.704 1.00 0.00 H new ATOM 294 N PRO A 22 -3.220 -4.690 -4.404 1.00 0.00 N ATOM 295 CA PRO A 22 -3.466 -3.490 -5.209 1.00 0.00 C ATOM 296 C PRO A 22 -2.180 -2.893 -5.770 1.00 0.00 C ATOM 297 O PRO A 22 -1.140 -2.906 -5.111 1.00 0.00 O ATOM 298 CB PRO A 22 -4.114 -2.523 -4.215 1.00 0.00 C ATOM 299 CG PRO A 22 -3.624 -2.967 -2.880 1.00 0.00 C ATOM 300 CD PRO A 22 -3.469 -4.460 -2.971 1.00 0.00 C ATOM 0 HA PRO A 22 -4.083 -3.705 -6.081 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.825 -1.492 -4.420 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.202 -2.567 -4.272 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.675 -2.490 -2.634 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.330 -2.695 -2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.642 -4.816 -2.357 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.365 -4.979 -2.630 1.00 0.00 H new ATOM 308 N SER A 23 -2.258 -2.369 -6.988 1.00 0.00 N ATOM 309 CA SER A 23 -1.098 -1.770 -7.639 1.00 0.00 C ATOM 310 C SER A 23 -0.332 -0.877 -6.668 1.00 0.00 C ATOM 311 O SER A 23 0.878 -1.025 -6.494 1.00 0.00 O ATOM 312 CB SER A 23 -1.534 -0.959 -8.861 1.00 0.00 C ATOM 313 OG SER A 23 -2.569 -0.051 -8.525 1.00 0.00 O ATOM 0 H SER A 23 -3.112 -2.347 -7.545 1.00 0.00 H new ATOM 0 HA SER A 23 -0.438 -2.575 -7.963 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.681 -0.411 -9.262 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.877 -1.633 -9.646 1.00 0.00 H new ATOM 0 HG SER A 23 -2.830 0.457 -9.321 1.00 0.00 H new ATOM 319 N CYS A 24 -1.045 0.050 -6.039 1.00 0.00 N ATOM 320 CA CYS A 24 -0.433 0.969 -5.085 1.00 0.00 C ATOM 321 C CYS A 24 0.543 0.234 -4.172 1.00 0.00 C ATOM 322 O CYS A 24 1.609 0.753 -3.841 1.00 0.00 O ATOM 323 CB CYS A 24 -1.510 1.661 -4.248 1.00 0.00 C ATOM 324 SG CYS A 24 -2.280 0.594 -3.008 1.00 0.00 S ATOM 0 H CYS A 24 -2.047 0.186 -6.172 1.00 0.00 H new ATOM 0 HA CYS A 24 0.119 1.722 -5.647 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.068 2.522 -3.747 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.284 2.042 -4.914 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.175 1.269 -2.350 1.00 0.00 H new ATOM 330 N PHE A 25 0.171 -0.976 -3.768 1.00 0.00 N ATOM 331 CA PHE A 25 1.013 -1.781 -2.891 1.00 0.00 C ATOM 332 C PHE A 25 2.458 -1.792 -3.384 1.00 0.00 C ATOM 333 O PHE A 25 2.718 -1.684 -4.583 1.00 0.00 O ATOM 334 CB PHE A 25 0.479 -3.213 -2.810 1.00 0.00 C ATOM 335 CG PHE A 25 1.294 -4.106 -1.918 1.00 0.00 C ATOM 336 CD1 PHE A 25 1.066 -4.137 -0.552 1.00 0.00 C ATOM 337 CD2 PHE A 25 2.287 -4.916 -2.447 1.00 0.00 C ATOM 338 CE1 PHE A 25 1.814 -4.958 0.271 1.00 0.00 C ATOM 339 CE2 PHE A 25 3.036 -5.740 -1.629 1.00 0.00 C ATOM 340 CZ PHE A 25 2.801 -5.760 -0.268 1.00 0.00 C ATOM 0 H PHE A 25 -0.708 -1.421 -4.034 1.00 0.00 H new ATOM 0 HA PHE A 25 0.990 -1.335 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.548 -3.189 -2.447 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.453 -3.640 -3.813 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.295 -3.513 -0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.477 -4.903 -3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.627 -4.972 1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.805 -6.368 -2.054 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.388 -6.401 0.373 1.00 0.00 H new ATOM 350 N LEU A 26 3.394 -1.923 -2.449 1.00 0.00 N ATOM 351 CA LEU A 26 4.813 -1.948 -2.788 1.00 0.00 C ATOM 352 C LEU A 26 5.603 -2.748 -1.757 1.00 0.00 C ATOM 353 O LEU A 26 5.182 -2.892 -0.609 1.00 0.00 O ATOM 354 CB LEU A 26 5.362 -0.523 -2.874 1.00 0.00 C ATOM 355 CG LEU A 26 4.579 0.545 -2.109 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.688 0.316 -0.609 1.00 0.00 C ATOM 357 CD2 LEU A 26 5.077 1.936 -2.476 1.00 0.00 C ATOM 0 H LEU A 26 3.196 -2.013 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 26 4.922 -2.432 -3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.388 -0.527 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.402 -0.233 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 26 3.529 0.470 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.125 1.086 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.283 -0.665 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.735 0.363 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.509 2.684 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.134 2.023 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.946 2.099 -3.546 1.00 0.00 H new ATOM 369 N LYS A 27 6.754 -3.266 -2.174 1.00 0.00 N ATOM 370 CA LYS A 27 7.607 -4.048 -1.287 1.00 0.00 C ATOM 371 C LYS A 27 8.774 -3.211 -0.773 1.00 0.00 C ATOM 372 O LYS A 27 9.729 -2.946 -1.503 1.00 0.00 O ATOM 373 CB LYS A 27 8.136 -5.286 -2.016 1.00 0.00 C ATOM 374 CG LYS A 27 7.170 -6.458 -2.007 1.00 0.00 C ATOM 375 CD LYS A 27 7.769 -7.680 -2.682 1.00 0.00 C ATOM 376 CE LYS A 27 6.781 -8.836 -2.722 1.00 0.00 C ATOM 377 NZ LYS A 27 7.471 -10.153 -2.802 1.00 0.00 N ATOM 0 H LYS A 27 7.117 -3.158 -3.121 1.00 0.00 H new ATOM 0 HA LYS A 27 7.007 -4.364 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.361 -5.020 -3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.074 -5.596 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.904 -6.703 -0.979 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.249 -6.175 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.072 -7.424 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.669 -7.987 -2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.154 -8.808 -1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.120 -8.719 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.763 -10.915 -2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.050 -10.190 -3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.082 -10.276 -1.970 1.00 0.00 H new ATOM 391 N VAL A 28 8.689 -2.796 0.487 1.00 0.00 N ATOM 392 CA VAL A 28 9.738 -1.990 1.099 1.00 0.00 C ATOM 393 C VAL A 28 9.878 -2.305 2.583 1.00 0.00 C ATOM 394 O VAL A 28 9.091 -3.068 3.144 1.00 0.00 O ATOM 395 CB VAL A 28 9.461 -0.485 0.927 1.00 0.00 C ATOM 396 CG1 VAL A 28 9.077 -0.173 -0.511 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.373 -0.031 1.889 1.00 0.00 C ATOM 0 H VAL A 28 7.904 -3.005 1.104 1.00 0.00 H new ATOM 0 HA VAL A 28 10.668 -2.241 0.589 1.00 0.00 H new ATOM 0 HB VAL A 28 10.373 0.064 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.885 0.895 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.892 -0.460 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.178 -0.730 -0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.190 1.035 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.456 -0.585 1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.693 -0.217 2.914 1.00 0.00 H new ATOM 407 N SER A 29 10.884 -1.711 3.216 1.00 0.00 N ATOM 408 CA SER A 29 11.129 -1.930 4.638 1.00 0.00 C ATOM 409 C SER A 29 10.209 -1.060 5.488 1.00 0.00 C ATOM 410 O SER A 29 9.349 -0.351 4.965 1.00 0.00 O ATOM 411 CB SER A 29 12.591 -1.631 4.977 1.00 0.00 C ATOM 412 OG SER A 29 12.969 -2.250 6.194 1.00 0.00 O ATOM 0 H SER A 29 11.543 -1.074 2.768 1.00 0.00 H new ATOM 0 HA SER A 29 10.919 -2.976 4.861 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.234 -1.984 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.737 -0.553 5.053 1.00 0.00 H new ATOM 0 HG SER A 29 13.908 -2.045 6.387 1.00 0.00 H new ATOM 418 N ARG A 30 10.397 -1.119 6.803 1.00 0.00 N ATOM 419 CA ARG A 30 9.585 -0.339 7.726 1.00 0.00 C ATOM 420 C ARG A 30 9.898 1.149 7.603 1.00 0.00 C ATOM 421 O ARG A 30 8.995 1.976 7.468 1.00 0.00 O ATOM 422 CB ARG A 30 9.821 -0.802 9.165 1.00 0.00 C ATOM 423 CG ARG A 30 11.269 -0.681 9.613 1.00 0.00 C ATOM 424 CD ARG A 30 11.476 -1.279 10.996 1.00 0.00 C ATOM 425 NE ARG A 30 12.881 -1.582 11.257 1.00 0.00 N ATOM 426 CZ ARG A 30 13.355 -1.892 12.457 1.00 0.00 C ATOM 427 NH1 ARG A 30 12.540 -1.943 13.503 1.00 0.00 N ATOM 428 NH2 ARG A 30 14.646 -2.155 12.615 1.00 0.00 N ATOM 0 H ARG A 30 11.105 -1.700 7.252 1.00 0.00 H new ATOM 0 HA ARG A 30 8.538 -0.495 7.468 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.192 -0.215 9.834 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.505 -1.841 9.260 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.916 -1.186 8.896 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.562 0.369 9.622 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.109 -0.583 11.750 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.885 -2.190 11.089 1.00 0.00 H new ATOM 0 HE ARG A 30 13.534 -1.554 10.474 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.547 -1.744 13.386 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.907 -2.182 14.424 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.276 -2.119 11.813 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.009 -2.393 13.538 1.00 0.00 H new ATOM 442 N LEU A 31 11.183 1.484 7.648 1.00 0.00 N ATOM 443 CA LEU A 31 11.616 2.872 7.540 1.00 0.00 C ATOM 444 C LEU A 31 11.493 3.373 6.105 1.00 0.00 C ATOM 445 O LEU A 31 11.104 4.515 5.867 1.00 0.00 O ATOM 446 CB LEU A 31 13.062 3.014 8.020 1.00 0.00 C ATOM 447 CG LEU A 31 13.281 2.913 9.530 1.00 0.00 C ATOM 448 CD1 LEU A 31 14.723 2.536 9.836 1.00 0.00 C ATOM 449 CD2 LEU A 31 12.914 4.223 10.212 1.00 0.00 C ATOM 0 H LEU A 31 11.943 0.813 7.759 1.00 0.00 H new ATOM 0 HA LEU A 31 10.968 3.478 8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.662 2.245 7.534 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.443 3.977 7.681 1.00 0.00 H new ATOM 0 HG LEU A 31 12.631 2.130 9.920 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.860 2.469 10.915 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.952 1.573 9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.391 3.296 9.432 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.076 4.132 11.286 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.537 5.026 9.818 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.865 4.451 10.022 1.00 0.00 H new ATOM 461 N GLU A 32 11.825 2.507 5.152 1.00 0.00 N ATOM 462 CA GLU A 32 11.751 2.861 3.739 1.00 0.00 C ATOM 463 C GLU A 32 10.386 3.454 3.399 1.00 0.00 C ATOM 464 O GLU A 32 10.283 4.619 3.014 1.00 0.00 O ATOM 465 CB GLU A 32 12.016 1.632 2.868 1.00 0.00 C ATOM 466 CG GLU A 32 13.429 1.090 2.993 1.00 0.00 C ATOM 467 CD GLU A 32 14.417 1.827 2.109 1.00 0.00 C ATOM 468 OE1 GLU A 32 14.452 1.545 0.894 1.00 0.00 O ATOM 469 OE2 GLU A 32 15.156 2.687 2.635 1.00 0.00 O ATOM 0 H GLU A 32 12.147 1.556 5.333 1.00 0.00 H new ATOM 0 HA GLU A 32 12.515 3.611 3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.310 0.847 3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.825 1.888 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.752 1.163 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.433 0.032 2.732 1.00 0.00 H new ATOM 476 N ALA A 33 9.342 2.645 3.544 1.00 0.00 N ATOM 477 CA ALA A 33 7.984 3.090 3.254 1.00 0.00 C ATOM 478 C ALA A 33 7.763 4.522 3.729 1.00 0.00 C ATOM 479 O ALA A 33 7.125 5.321 3.043 1.00 0.00 O ATOM 480 CB ALA A 33 6.973 2.155 3.900 1.00 0.00 C ATOM 0 H ALA A 33 9.410 1.678 3.861 1.00 0.00 H new ATOM 0 HA ALA A 33 7.843 3.068 2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.964 2.499 3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.108 1.147 3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.122 2.148 4.980 1.00 0.00 H new ATOM 486 N GLN A 34 8.292 4.838 4.907 1.00 0.00 N ATOM 487 CA GLN A 34 8.150 6.175 5.473 1.00 0.00 C ATOM 488 C GLN A 34 8.753 7.226 4.547 1.00 0.00 C ATOM 489 O GLN A 34 8.034 8.019 3.937 1.00 0.00 O ATOM 490 CB GLN A 34 8.820 6.243 6.847 1.00 0.00 C ATOM 491 CG GLN A 34 8.363 7.424 7.687 1.00 0.00 C ATOM 492 CD GLN A 34 9.258 7.668 8.886 1.00 0.00 C ATOM 493 OE1 GLN A 34 9.546 6.754 9.658 1.00 0.00 O ATOM 494 NE2 GLN A 34 9.706 8.908 9.046 1.00 0.00 N ATOM 0 H GLN A 34 8.822 4.188 5.487 1.00 0.00 H new ATOM 0 HA GLN A 34 7.086 6.384 5.584 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.613 5.320 7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.900 6.299 6.713 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.341 8.320 7.066 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.343 7.249 8.029 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.442 9.635 8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.314 9.133 9.833 1.00 0.00 H new ATOM 503 N LEU A 35 10.078 7.228 4.446 1.00 0.00 N ATOM 504 CA LEU A 35 10.779 8.182 3.594 1.00 0.00 C ATOM 505 C LEU A 35 10.198 8.182 2.184 1.00 0.00 C ATOM 506 O LEU A 35 10.128 9.223 1.530 1.00 0.00 O ATOM 507 CB LEU A 35 12.272 7.850 3.542 1.00 0.00 C ATOM 508 CG LEU A 35 12.688 6.788 2.525 1.00 0.00 C ATOM 509 CD1 LEU A 35 12.803 7.397 1.135 1.00 0.00 C ATOM 510 CD2 LEU A 35 14.003 6.142 2.936 1.00 0.00 C ATOM 0 H LEU A 35 10.688 6.580 4.944 1.00 0.00 H new ATOM 0 HA LEU A 35 10.649 9.176 4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.820 8.767 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.585 7.518 4.532 1.00 0.00 H new ATOM 0 HG LEU A 35 11.919 6.016 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.100 6.626 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.840 7.812 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.552 8.189 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.284 5.388 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.781 6.903 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.887 5.671 3.912 1.00 0.00 H new ATOM 522 N LEU A 36 9.780 7.009 1.722 1.00 0.00 N ATOM 523 CA LEU A 36 9.203 6.873 0.389 1.00 0.00 C ATOM 524 C LEU A 36 8.112 7.915 0.159 1.00 0.00 C ATOM 525 O LEU A 36 7.821 8.284 -0.979 1.00 0.00 O ATOM 526 CB LEU A 36 8.628 5.468 0.201 1.00 0.00 C ATOM 527 CG LEU A 36 8.655 4.918 -1.226 1.00 0.00 C ATOM 528 CD1 LEU A 36 10.036 4.381 -1.565 1.00 0.00 C ATOM 529 CD2 LEU A 36 7.602 3.832 -1.397 1.00 0.00 C ATOM 0 H LEU A 36 9.830 6.138 2.251 1.00 0.00 H new ATOM 0 HA LEU A 36 9.996 7.035 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.180 4.782 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.595 5.470 0.549 1.00 0.00 H new ATOM 0 HG LEU A 36 8.426 5.732 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.036 3.994 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.769 5.183 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.295 3.580 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.634 3.451 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.802 3.018 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.615 4.248 -1.196 1.00 0.00 H new ATOM 541 N LEU A 37 7.515 8.389 1.247 1.00 0.00 N ATOM 542 CA LEU A 37 6.458 9.390 1.166 1.00 0.00 C ATOM 543 C LEU A 37 7.026 10.749 0.768 1.00 0.00 C ATOM 544 O LEU A 37 6.709 11.277 -0.297 1.00 0.00 O ATOM 545 CB LEU A 37 5.728 9.501 2.505 1.00 0.00 C ATOM 546 CG LEU A 37 5.050 8.227 3.007 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.631 8.381 4.461 1.00 0.00 C ATOM 548 CD2 LEU A 37 3.849 7.884 2.138 1.00 0.00 C ATOM 0 H LEU A 37 7.745 8.096 2.196 1.00 0.00 H new ATOM 0 HA LEU A 37 5.750 9.074 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.443 9.830 3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.972 10.282 2.420 1.00 0.00 H new ATOM 0 HG LEU A 37 5.767 7.408 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.150 7.464 4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.510 8.578 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.932 9.212 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.379 6.974 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.131 8.703 2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.176 7.729 1.110 1.00 0.00 H new ATOM 560 N GLU A 38 7.867 11.309 1.632 1.00 0.00 N ATOM 561 CA GLU A 38 8.480 12.606 1.370 1.00 0.00 C ATOM 562 C GLU A 38 9.284 12.576 0.073 1.00 0.00 C ATOM 563 O GLU A 38 9.412 13.590 -0.614 1.00 0.00 O ATOM 564 CB GLU A 38 9.386 13.011 2.535 1.00 0.00 C ATOM 565 CG GLU A 38 10.737 12.315 2.526 1.00 0.00 C ATOM 566 CD GLU A 38 11.738 12.995 1.612 1.00 0.00 C ATOM 567 OE1 GLU A 38 11.385 14.033 1.013 1.00 0.00 O ATOM 568 OE2 GLU A 38 12.874 12.490 1.498 1.00 0.00 O ATOM 0 H GLU A 38 8.139 10.885 2.519 1.00 0.00 H new ATOM 0 HA GLU A 38 7.683 13.342 1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.542 14.089 2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.878 12.788 3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.135 12.290 3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.606 11.280 2.209 1.00 0.00 H new ATOM 575 N ARG A 39 9.822 11.406 -0.256 1.00 0.00 N ATOM 576 CA ARG A 39 10.614 11.243 -1.468 1.00 0.00 C ATOM 577 C ARG A 39 9.753 11.445 -2.711 1.00 0.00 C ATOM 578 O ARG A 39 10.103 12.218 -3.604 1.00 0.00 O ATOM 579 CB ARG A 39 11.259 9.857 -1.501 1.00 0.00 C ATOM 580 CG ARG A 39 12.639 9.811 -0.865 1.00 0.00 C ATOM 581 CD ARG A 39 13.644 10.633 -1.658 1.00 0.00 C ATOM 582 NE ARG A 39 15.021 10.322 -1.283 1.00 0.00 N ATOM 583 CZ ARG A 39 16.066 11.055 -1.652 1.00 0.00 C ATOM 584 NH1 ARG A 39 15.890 12.135 -2.402 1.00 0.00 N ATOM 585 NH2 ARG A 39 17.288 10.709 -1.271 1.00 0.00 N ATOM 0 H ARG A 39 9.723 10.557 0.301 1.00 0.00 H new ATOM 0 HA ARG A 39 11.398 12.000 -1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.608 9.150 -0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.334 9.525 -2.537 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.583 10.188 0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.979 8.777 -0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.507 10.445 -2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.454 11.694 -1.495 1.00 0.00 H new ATOM 0 HE ARG A 39 15.190 9.497 -0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.951 12.404 -2.696 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.693 12.696 -2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.427 9.879 -0.694 1.00 0.00 H new ATOM 0 HH22 ARG A 39 18.089 11.272 -1.555 1.00 0.00 H new ATOM 599 N TYR A 40 8.625 10.745 -2.763 1.00 0.00 N ATOM 600 CA TYR A 40 7.715 10.845 -3.897 1.00 0.00 C ATOM 601 C TYR A 40 6.303 11.194 -3.434 1.00 0.00 C ATOM 602 O TYR A 40 5.397 10.361 -3.438 1.00 0.00 O ATOM 603 CB TYR A 40 7.696 9.531 -4.680 1.00 0.00 C ATOM 604 CG TYR A 40 9.074 8.998 -5.000 1.00 0.00 C ATOM 605 CD1 TYR A 40 9.793 8.266 -4.062 1.00 0.00 C ATOM 606 CD2 TYR A 40 9.658 9.225 -6.240 1.00 0.00 C ATOM 607 CE1 TYR A 40 11.052 7.777 -4.350 1.00 0.00 C ATOM 608 CE2 TYR A 40 10.917 8.740 -6.537 1.00 0.00 C ATOM 609 CZ TYR A 40 11.610 8.017 -5.589 1.00 0.00 C ATOM 610 OH TYR A 40 12.865 7.532 -5.880 1.00 0.00 O ATOM 0 H TYR A 40 8.319 10.102 -2.033 1.00 0.00 H new ATOM 0 HA TYR A 40 8.073 11.643 -4.547 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.151 8.783 -4.105 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.148 9.680 -5.610 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.359 8.076 -3.091 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.118 9.791 -6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.597 7.210 -3.610 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.356 8.926 -7.506 1.00 0.00 H new ATOM 0 HH TYR A 40 13.111 7.787 -6.794 1.00 0.00 H new ATOM 620 N PRO A 41 6.111 12.457 -3.026 1.00 0.00 N ATOM 621 CA PRO A 41 4.813 12.948 -2.554 1.00 0.00 C ATOM 622 C PRO A 41 3.788 13.052 -3.678 1.00 0.00 C ATOM 623 O PRO A 41 2.603 12.788 -3.476 1.00 0.00 O ATOM 624 CB PRO A 41 5.139 14.336 -1.997 1.00 0.00 C ATOM 625 CG PRO A 41 6.363 14.761 -2.734 1.00 0.00 C ATOM 626 CD PRO A 41 7.146 13.504 -2.995 1.00 0.00 C ATOM 0 HA PRO A 41 4.365 12.275 -1.823 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.316 15.032 -2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.316 14.300 -0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.103 15.260 -3.668 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.947 15.469 -2.146 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.691 13.558 -3.938 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.881 13.319 -2.212 1.00 0.00 H new ATOM 634 N GLU A 42 4.253 13.436 -4.863 1.00 0.00 N ATOM 635 CA GLU A 42 3.376 13.575 -6.019 1.00 0.00 C ATOM 636 C GLU A 42 2.777 12.228 -6.412 1.00 0.00 C ATOM 637 O GLU A 42 1.691 12.163 -6.992 1.00 0.00 O ATOM 638 CB GLU A 42 4.143 14.168 -7.202 1.00 0.00 C ATOM 639 CG GLU A 42 5.298 13.302 -7.675 1.00 0.00 C ATOM 640 CD GLU A 42 5.753 13.653 -9.078 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.983 14.850 -9.346 1.00 0.00 O ATOM 642 OE2 GLU A 42 5.881 12.728 -9.908 1.00 0.00 O ATOM 0 H GLU A 42 5.232 13.656 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 42 2.564 14.250 -5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.452 14.322 -8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.527 15.149 -6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.136 13.413 -6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.998 12.255 -7.646 1.00 0.00 H new ATOM 649 N CYS A 43 3.491 11.154 -6.093 1.00 0.00 N ATOM 650 CA CYS A 43 3.032 9.807 -6.414 1.00 0.00 C ATOM 651 C CYS A 43 2.137 9.259 -5.306 1.00 0.00 C ATOM 652 O CYS A 43 2.164 8.066 -5.006 1.00 0.00 O ATOM 653 CB CYS A 43 4.226 8.876 -6.628 1.00 0.00 C ATOM 654 SG CYS A 43 5.026 9.061 -8.240 1.00 0.00 S ATOM 0 H CYS A 43 4.390 11.190 -5.612 1.00 0.00 H new ATOM 0 HA CYS A 43 2.451 9.858 -7.335 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.962 9.061 -5.846 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.893 7.844 -6.516 1.00 0.00 H new ATOM 0 HG CYS A 43 6.025 8.234 -8.326 1.00 0.00 H new ATOM 660 N GLY A 44 1.347 10.140 -4.701 1.00 0.00 N ATOM 661 CA GLY A 44 0.457 9.727 -3.631 1.00 0.00 C ATOM 662 C GLY A 44 1.177 9.571 -2.305 1.00 0.00 C ATOM 663 O GLY A 44 2.390 9.753 -2.226 1.00 0.00 O ATOM 0 H GLY A 44 1.307 11.133 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.342 10.461 -3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.014 8.781 -3.899 1.00 0.00 H new ATOM 667 N ASN A 45 0.425 9.234 -1.263 1.00 0.00 N ATOM 668 CA ASN A 45 0.998 9.056 0.066 1.00 0.00 C ATOM 669 C ASN A 45 0.555 7.730 0.677 1.00 0.00 C ATOM 670 O ASN A 45 1.360 7.002 1.258 1.00 0.00 O ATOM 671 CB ASN A 45 0.589 10.214 0.980 1.00 0.00 C ATOM 672 CG ASN A 45 0.465 9.789 2.431 1.00 0.00 C ATOM 673 OD1 ASN A 45 1.415 9.899 3.205 1.00 0.00 O ATOM 674 ND2 ASN A 45 -0.711 9.299 2.806 1.00 0.00 N ATOM 0 H ASN A 45 -0.582 9.079 -1.313 1.00 0.00 H new ATOM 0 HA ASN A 45 2.084 9.045 -0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.325 11.014 0.900 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.363 10.622 0.641 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.853 8.996 3.769 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.472 9.226 2.131 1.00 0.00 H new ATOM 681 N LEU A 46 -0.731 7.423 0.541 1.00 0.00 N ATOM 682 CA LEU A 46 -1.282 6.184 1.078 1.00 0.00 C ATOM 683 C LEU A 46 -0.562 4.971 0.497 1.00 0.00 C ATOM 684 O LEU A 46 -0.969 4.430 -0.533 1.00 0.00 O ATOM 685 CB LEU A 46 -2.778 6.097 0.777 1.00 0.00 C ATOM 686 CG LEU A 46 -3.419 4.718 0.954 1.00 0.00 C ATOM 687 CD1 LEU A 46 -3.927 4.544 2.377 1.00 0.00 C ATOM 688 CD2 LEU A 46 -4.550 4.525 -0.045 1.00 0.00 C ATOM 0 H LEU A 46 -1.411 8.015 0.064 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.135 6.187 2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.300 6.804 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.941 6.422 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.660 3.958 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.379 3.558 2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.095 4.639 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.671 5.310 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.995 3.540 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.309 5.291 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.158 4.606 -1.059 1.00 0.00 H new ATOM 700 N LEU A 47 0.506 4.547 1.163 1.00 0.00 N ATOM 701 CA LEU A 47 1.280 3.395 0.713 1.00 0.00 C ATOM 702 C LEU A 47 1.138 2.230 1.687 1.00 0.00 C ATOM 703 O LEU A 47 1.208 2.410 2.903 1.00 0.00 O ATOM 704 CB LEU A 47 2.755 3.775 0.566 1.00 0.00 C ATOM 705 CG LEU A 47 3.612 3.635 1.824 1.00 0.00 C ATOM 706 CD1 LEU A 47 4.139 2.214 1.957 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.763 4.632 1.799 1.00 0.00 C ATOM 0 H LEU A 47 0.856 4.983 2.016 1.00 0.00 H new ATOM 0 HA LEU A 47 0.892 3.083 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.192 3.157 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.811 4.809 0.225 1.00 0.00 H new ATOM 0 HG LEU A 47 2.988 3.851 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.747 2.134 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.301 1.520 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.747 1.969 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.363 4.518 2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.386 4.447 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.365 5.646 1.753 1.00 0.00 H new ATOM 719 N LEU A 48 0.941 1.033 1.144 1.00 0.00 N ATOM 720 CA LEU A 48 0.791 -0.164 1.964 1.00 0.00 C ATOM 721 C LEU A 48 2.110 -0.923 2.065 1.00 0.00 C ATOM 722 O LEU A 48 2.680 -1.335 1.055 1.00 0.00 O ATOM 723 CB LEU A 48 -0.291 -1.073 1.380 1.00 0.00 C ATOM 724 CG LEU A 48 -1.731 -0.579 1.517 1.00 0.00 C ATOM 725 CD1 LEU A 48 -2.057 0.429 0.426 1.00 0.00 C ATOM 726 CD2 LEU A 48 -2.703 -1.750 1.473 1.00 0.00 C ATOM 0 H LEU A 48 0.881 0.866 0.140 1.00 0.00 H new ATOM 0 HA LEU A 48 0.494 0.146 2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.079 -1.222 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.216 -2.048 1.861 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.834 -0.083 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.086 0.769 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.382 1.282 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.936 -0.040 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.723 -1.380 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.598 -2.275 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.485 -2.435 2.292 1.00 0.00 H new ATOM 738 N ARG A 49 2.589 -1.105 3.292 1.00 0.00 N ATOM 739 CA ARG A 49 3.839 -1.816 3.526 1.00 0.00 C ATOM 740 C ARG A 49 3.592 -3.119 4.279 1.00 0.00 C ATOM 741 O ARG A 49 2.777 -3.188 5.199 1.00 0.00 O ATOM 742 CB ARG A 49 4.811 -0.936 4.314 1.00 0.00 C ATOM 743 CG ARG A 49 4.340 -0.622 5.725 1.00 0.00 C ATOM 744 CD ARG A 49 5.499 -0.210 6.620 1.00 0.00 C ATOM 745 NE ARG A 49 6.499 -1.267 6.742 1.00 0.00 N ATOM 746 CZ ARG A 49 6.385 -2.293 7.577 1.00 0.00 C ATOM 747 NH1 ARG A 49 5.320 -2.401 8.359 1.00 0.00 N ATOM 748 NH2 ARG A 49 7.338 -3.216 7.630 1.00 0.00 N ATOM 0 H ARG A 49 2.130 -0.770 4.139 1.00 0.00 H new ATOM 0 HA ARG A 49 4.278 -2.055 2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.779 -1.434 4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.962 -0.001 3.774 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.601 0.178 5.693 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.845 -1.496 6.148 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.968 0.687 6.216 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.120 0.046 7.609 1.00 0.00 H new ATOM 0 HE ARG A 49 7.331 -1.214 6.154 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.585 -1.695 8.320 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.235 -3.190 8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.158 -3.137 7.029 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.250 -4.004 8.272 1.00 0.00 H new ATOM 762 N PRO A 50 4.310 -4.180 3.880 1.00 0.00 N ATOM 763 CA PRO A 50 4.186 -5.501 4.503 1.00 0.00 C ATOM 764 C PRO A 50 4.751 -5.528 5.920 1.00 0.00 C ATOM 765 O PRO A 50 5.637 -4.746 6.261 1.00 0.00 O ATOM 766 CB PRO A 50 5.008 -6.406 3.583 1.00 0.00 C ATOM 767 CG PRO A 50 5.995 -5.495 2.938 1.00 0.00 C ATOM 768 CD PRO A 50 5.300 -4.170 2.789 1.00 0.00 C ATOM 0 HA PRO A 50 3.145 -5.807 4.605 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.507 -7.195 4.146 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.376 -6.895 2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.893 -5.398 3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.308 -5.883 1.969 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.997 -3.337 2.886 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.823 -4.074 1.814 1.00 0.00 H new ATOM 776 N SER A 51 4.230 -6.434 6.741 1.00 0.00 N ATOM 777 CA SER A 51 4.680 -6.561 8.122 1.00 0.00 C ATOM 778 C SER A 51 6.203 -6.568 8.199 1.00 0.00 C ATOM 779 O SER A 51 6.796 -5.897 9.043 1.00 0.00 O ATOM 780 CB SER A 51 4.120 -7.841 8.748 1.00 0.00 C ATOM 781 OG SER A 51 4.303 -7.845 10.153 1.00 0.00 O ATOM 0 H SER A 51 3.496 -7.090 6.474 1.00 0.00 H new ATOM 0 HA SER A 51 4.310 -5.700 8.679 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.058 -7.928 8.516 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.614 -8.709 8.311 1.00 0.00 H new ATOM 0 HG SER A 51 3.935 -8.672 10.528 1.00 0.00 H new ATOM 787 N GLY A 52 6.831 -7.334 7.312 1.00 0.00 N ATOM 788 CA GLY A 52 8.280 -7.415 7.295 1.00 0.00 C ATOM 789 C GLY A 52 8.799 -8.648 8.009 1.00 0.00 C ATOM 790 O GLY A 52 9.826 -9.209 7.625 1.00 0.00 O ATOM 0 H GLY A 52 6.362 -7.900 6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.629 -7.423 6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.696 -6.524 7.765 1.00 0.00 H new ATOM 794 N ASP A 53 8.091 -9.068 9.051 1.00 0.00 N ATOM 795 CA ASP A 53 8.487 -10.241 9.822 1.00 0.00 C ATOM 796 C ASP A 53 7.856 -11.506 9.248 1.00 0.00 C ATOM 797 O ASP A 53 7.284 -12.313 9.978 1.00 0.00 O ATOM 798 CB ASP A 53 8.084 -10.076 11.287 1.00 0.00 C ATOM 799 CG ASP A 53 8.949 -9.066 12.015 1.00 0.00 C ATOM 800 OD1 ASP A 53 10.129 -8.913 11.636 1.00 0.00 O ATOM 801 OD2 ASP A 53 8.448 -8.430 12.966 1.00 0.00 O ATOM 0 H ASP A 53 7.240 -8.614 9.382 1.00 0.00 H new ATOM 0 HA ASP A 53 9.571 -10.336 9.761 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.041 -9.763 11.341 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.154 -11.040 11.791 1.00 0.00 H new ATOM 806 N GLY A 54 7.966 -11.672 7.932 1.00 0.00 N ATOM 807 CA GLY A 54 7.401 -12.840 7.282 1.00 0.00 C ATOM 808 C GLY A 54 6.034 -13.200 7.825 1.00 0.00 C ATOM 809 O GLY A 54 5.911 -14.060 8.697 1.00 0.00 O ATOM 0 H GLY A 54 8.436 -11.018 7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.326 -12.655 6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.075 -13.687 7.413 1.00 0.00 H new ATOM 813 N ALA A 55 5.001 -12.540 7.310 1.00 0.00 N ATOM 814 CA ALA A 55 3.635 -12.796 7.749 1.00 0.00 C ATOM 815 C ALA A 55 2.635 -12.472 6.644 1.00 0.00 C ATOM 816 O ALA A 55 3.000 -11.930 5.601 1.00 0.00 O ATOM 817 CB ALA A 55 3.322 -11.989 8.999 1.00 0.00 C ATOM 0 H ALA A 55 5.085 -11.824 6.588 1.00 0.00 H new ATOM 0 HA ALA A 55 3.548 -13.857 7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.298 -12.190 9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.010 -12.271 9.796 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.433 -10.926 8.783 1.00 0.00 H new ATOM 823 N ASP A 56 1.371 -12.810 6.880 1.00 0.00 N ATOM 824 CA ASP A 56 0.317 -12.555 5.904 1.00 0.00 C ATOM 825 C ASP A 56 -0.251 -11.149 6.072 1.00 0.00 C ATOM 826 O ASP A 56 -0.366 -10.396 5.107 1.00 0.00 O ATOM 827 CB ASP A 56 -0.799 -13.590 6.046 1.00 0.00 C ATOM 828 CG ASP A 56 -0.296 -15.012 5.888 1.00 0.00 C ATOM 829 OD1 ASP A 56 -0.083 -15.439 4.734 1.00 0.00 O ATOM 830 OD2 ASP A 56 -0.116 -15.695 6.917 1.00 0.00 O ATOM 0 H ASP A 56 1.052 -13.261 7.738 1.00 0.00 H new ATOM 0 HA ASP A 56 0.751 -12.635 4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.269 -13.481 7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.568 -13.395 5.299 1.00 0.00 H new ATOM 835 N GLY A 57 -0.605 -10.803 7.306 1.00 0.00 N ATOM 836 CA GLY A 57 -1.158 -9.490 7.578 1.00 0.00 C ATOM 837 C GLY A 57 -0.305 -8.372 7.010 1.00 0.00 C ATOM 838 O GLY A 57 0.890 -8.552 6.776 1.00 0.00 O ATOM 0 H GLY A 57 -0.518 -11.409 8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.161 -9.427 7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.256 -9.357 8.655 1.00 0.00 H new ATOM 842 N VAL A 58 -0.919 -7.215 6.787 1.00 0.00 N ATOM 843 CA VAL A 58 -0.209 -6.064 6.243 1.00 0.00 C ATOM 844 C VAL A 58 -0.631 -4.777 6.941 1.00 0.00 C ATOM 845 O VAL A 58 -1.691 -4.714 7.562 1.00 0.00 O ATOM 846 CB VAL A 58 -0.453 -5.918 4.729 1.00 0.00 C ATOM 847 CG1 VAL A 58 -1.893 -5.507 4.458 1.00 0.00 C ATOM 848 CG2 VAL A 58 0.519 -4.915 4.127 1.00 0.00 C ATOM 0 H VAL A 58 -1.908 -7.050 6.975 1.00 0.00 H new ATOM 0 HA VAL A 58 0.853 -6.236 6.417 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.281 -6.885 4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.047 -5.409 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.568 -6.266 4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.096 -4.552 4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.332 -4.825 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.381 -3.944 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.541 -5.257 4.289 1.00 0.00 H new ATOM 858 N SER A 59 0.208 -3.750 6.836 1.00 0.00 N ATOM 859 CA SER A 59 -0.076 -2.464 7.460 1.00 0.00 C ATOM 860 C SER A 59 -0.134 -1.354 6.416 1.00 0.00 C ATOM 861 O SER A 59 0.354 -1.512 5.297 1.00 0.00 O ATOM 862 CB SER A 59 0.988 -2.138 8.510 1.00 0.00 C ATOM 863 OG SER A 59 0.654 -0.960 9.224 1.00 0.00 O ATOM 0 H SER A 59 1.090 -3.785 6.324 1.00 0.00 H new ATOM 0 HA SER A 59 -1.049 -2.531 7.947 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.086 -2.973 9.204 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.956 -2.011 8.025 1.00 0.00 H new ATOM 0 HG SER A 59 -0.227 -1.068 9.639 1.00 0.00 H new ATOM 869 N VAL A 60 -0.736 -0.229 6.790 1.00 0.00 N ATOM 870 CA VAL A 60 -0.857 0.909 5.887 1.00 0.00 C ATOM 871 C VAL A 60 -0.181 2.146 6.467 1.00 0.00 C ATOM 872 O VAL A 60 -0.379 2.486 7.634 1.00 0.00 O ATOM 873 CB VAL A 60 -2.333 1.236 5.590 1.00 0.00 C ATOM 874 CG1 VAL A 60 -2.441 2.472 4.710 1.00 0.00 C ATOM 875 CG2 VAL A 60 -3.021 0.046 4.938 1.00 0.00 C ATOM 0 H VAL A 60 -1.147 -0.082 7.712 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.360 0.629 4.958 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.837 1.447 6.533 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.491 2.687 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.987 3.322 5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.923 2.294 3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.063 0.294 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.517 -0.198 4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.977 -0.812 5.609 1.00 0.00 H new ATOM 885 N THR A 61 0.618 2.819 5.645 1.00 0.00 N ATOM 886 CA THR A 61 1.325 4.018 6.076 1.00 0.00 C ATOM 887 C THR A 61 0.756 5.262 5.403 1.00 0.00 C ATOM 888 O THR A 61 0.852 5.421 4.186 1.00 0.00 O ATOM 889 CB THR A 61 2.831 3.924 5.768 1.00 0.00 C ATOM 890 OG1 THR A 61 3.370 2.720 6.322 1.00 0.00 O ATOM 891 CG2 THR A 61 3.574 5.126 6.332 1.00 0.00 C ATOM 0 H THR A 61 0.792 2.553 4.676 1.00 0.00 H new ATOM 0 HA THR A 61 1.188 4.096 7.154 1.00 0.00 H new ATOM 0 HB THR A 61 2.959 3.913 4.686 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.328 2.667 6.120 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.636 5.038 6.102 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.181 6.039 5.885 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.438 5.163 7.413 1.00 0.00 H new ATOM 899 N THR A 62 0.165 6.144 6.203 1.00 0.00 N ATOM 900 CA THR A 62 -0.419 7.375 5.685 1.00 0.00 C ATOM 901 C THR A 62 0.091 8.591 6.450 1.00 0.00 C ATOM 902 O THR A 62 0.044 8.626 7.681 1.00 0.00 O ATOM 903 CB THR A 62 -1.957 7.342 5.761 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.375 7.098 7.109 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.522 6.266 4.846 1.00 0.00 C ATOM 0 H THR A 62 0.078 6.029 7.213 1.00 0.00 H new ATOM 0 HA THR A 62 -0.116 7.454 4.641 1.00 0.00 H new ATOM 0 HB THR A 62 -2.336 8.310 5.433 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.753 7.534 7.728 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.610 6.262 4.917 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.226 6.471 3.817 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.135 5.292 5.147 1.00 0.00 H new ATOM 913 N ARG A 63 0.578 9.585 5.716 1.00 0.00 N ATOM 914 CA ARG A 63 1.096 10.804 6.326 1.00 0.00 C ATOM 915 C ARG A 63 0.321 12.027 5.845 1.00 0.00 C ATOM 916 O ARG A 63 0.460 12.449 4.698 1.00 0.00 O ATOM 917 CB ARG A 63 2.582 10.968 6.002 1.00 0.00 C ATOM 918 CG ARG A 63 3.314 11.900 6.955 1.00 0.00 C ATOM 919 CD ARG A 63 4.755 12.121 6.521 1.00 0.00 C ATOM 920 NE ARG A 63 5.543 12.783 7.556 1.00 0.00 N ATOM 921 CZ ARG A 63 6.866 12.698 7.639 1.00 0.00 C ATOM 922 NH1 ARG A 63 7.546 11.985 6.752 1.00 0.00 N ATOM 923 NH2 ARG A 63 7.512 13.329 8.612 1.00 0.00 N ATOM 0 H ARG A 63 0.625 9.571 4.697 1.00 0.00 H new ATOM 0 HA ARG A 63 0.972 10.721 7.406 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.061 9.989 6.026 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.684 11.348 4.986 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.795 12.858 6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.296 11.481 7.961 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.211 11.162 6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.772 12.723 5.612 1.00 0.00 H new ATOM 0 HE ARG A 63 5.051 13.341 8.254 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.053 11.499 6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.562 11.922 6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.992 13.879 9.296 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.528 13.264 8.676 1.00 0.00 H new ATOM 937 N GLN A 64 -0.496 12.588 6.730 1.00 0.00 N ATOM 938 CA GLN A 64 -1.294 13.761 6.395 1.00 0.00 C ATOM 939 C GLN A 64 -0.883 14.960 7.243 1.00 0.00 C ATOM 940 O GLN A 64 -0.376 14.803 8.353 1.00 0.00 O ATOM 941 CB GLN A 64 -2.782 13.466 6.595 1.00 0.00 C ATOM 942 CG GLN A 64 -3.327 12.413 5.645 1.00 0.00 C ATOM 943 CD GLN A 64 -4.559 11.718 6.188 1.00 0.00 C ATOM 944 OE1 GLN A 64 -5.379 12.327 6.875 1.00 0.00 O ATOM 945 NE2 GLN A 64 -4.696 10.432 5.882 1.00 0.00 N ATOM 0 H GLN A 64 -0.623 12.249 7.684 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.116 14.003 5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.944 13.136 7.621 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.347 14.389 6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.570 12.881 4.691 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.553 11.671 5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.992 9.966 5.309 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.505 9.911 6.220 1.00 0.00 H new ATOM 954 N MET A 65 -1.104 16.158 6.712 1.00 0.00 N ATOM 955 CA MET A 65 -0.757 17.384 7.421 1.00 0.00 C ATOM 956 C MET A 65 -1.854 17.771 8.409 1.00 0.00 C ATOM 957 O MET A 65 -2.927 18.227 8.013 1.00 0.00 O ATOM 958 CB MET A 65 -0.524 18.524 6.428 1.00 0.00 C ATOM 959 CG MET A 65 0.354 19.637 6.978 1.00 0.00 C ATOM 960 SD MET A 65 1.975 19.048 7.506 1.00 0.00 S ATOM 961 CE MET A 65 2.744 20.583 8.015 1.00 0.00 C ATOM 0 H MET A 65 -1.522 16.306 5.793 1.00 0.00 H new ATOM 0 HA MET A 65 0.162 17.203 7.979 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.064 18.121 5.526 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.487 18.943 6.135 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.482 20.404 6.214 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.150 20.108 7.822 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.756 20.383 8.368 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.784 21.268 7.168 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.161 21.033 8.819 1.00 0.00 H new ATOM 971 N HIS A 66 -1.579 17.584 9.695 1.00 0.00 N ATOM 972 CA HIS A 66 -2.542 17.913 10.739 1.00 0.00 C ATOM 973 C HIS A 66 -1.948 18.906 11.735 1.00 0.00 C ATOM 974 O HIS A 66 -0.753 18.866 12.027 1.00 0.00 O ATOM 975 CB HIS A 66 -2.989 16.646 11.469 1.00 0.00 C ATOM 976 CG HIS A 66 -3.806 15.723 10.621 1.00 0.00 C ATOM 977 ND1 HIS A 66 -4.913 15.951 9.876 1.00 0.00 N flip ATOM 978 CD2 HIS A 66 -3.514 14.383 10.469 1.00 0.00 C flip ATOM 979 CE1 HIS A 66 -5.265 14.759 9.293 1.00 0.00 C flip ATOM 980 NE2 HIS A 66 -4.405 13.829 9.666 1.00 0.00 N flip ATOM 0 H HIS A 66 -0.696 17.206 10.040 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.408 18.375 10.266 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.108 16.113 11.827 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.569 16.928 12.347 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.686 13.868 10.934 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.108 14.607 8.636 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -4.425 12.849 9.382 1.00 0.00 H new ATOM 989 N ASN A 67 -2.789 19.795 12.251 1.00 0.00 N ATOM 990 CA ASN A 67 -2.346 20.799 13.212 1.00 0.00 C ATOM 991 C ASN A 67 -0.993 21.377 12.810 1.00 0.00 C ATOM 992 O ASN A 67 -0.111 21.560 13.647 1.00 0.00 O ATOM 993 CB ASN A 67 -2.257 20.189 14.613 1.00 0.00 C ATOM 994 CG ASN A 67 -3.571 19.577 15.062 1.00 0.00 C ATOM 995 OD1 ASN A 67 -4.208 18.833 14.316 1.00 0.00 O ATOM 996 ND2 ASN A 67 -3.980 19.889 16.285 1.00 0.00 N ATOM 0 H ASN A 67 -3.781 19.841 12.020 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.078 21.607 13.220 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.480 19.424 14.625 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.957 20.959 15.323 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.856 19.508 16.643 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.418 20.510 16.868 1.00 0.00 H new ATOM 1003 N GLY A 68 -0.837 21.664 11.521 1.00 0.00 N ATOM 1004 CA GLY A 68 0.411 22.218 11.030 1.00 0.00 C ATOM 1005 C GLY A 68 1.624 21.517 11.606 1.00 0.00 C ATOM 1006 O GLY A 68 2.612 22.159 11.965 1.00 0.00 O ATOM 0 H GLY A 68 -1.553 21.523 10.808 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.435 22.144 9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.456 23.278 11.278 1.00 0.00 H new ATOM 1010 N THR A 69 1.552 20.192 11.698 1.00 0.00 N ATOM 1011 CA THR A 69 2.651 19.402 12.237 1.00 0.00 C ATOM 1012 C THR A 69 2.844 18.114 11.444 1.00 0.00 C ATOM 1013 O THR A 69 1.973 17.712 10.672 1.00 0.00 O ATOM 1014 CB THR A 69 2.416 19.048 13.718 1.00 0.00 C ATOM 1015 OG1 THR A 69 3.590 18.444 14.270 1.00 0.00 O ATOM 1016 CG2 THR A 69 1.234 18.102 13.867 1.00 0.00 C ATOM 0 H THR A 69 0.743 19.644 11.406 1.00 0.00 H new ATOM 0 HA THR A 69 3.549 20.014 12.155 1.00 0.00 H new ATOM 0 HB THR A 69 2.194 19.969 14.258 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.433 18.224 15.212 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.087 17.866 14.921 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.336 18.577 13.473 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.431 17.184 13.314 1.00 0.00 H new ATOM 1024 N HIS A 70 3.991 17.471 11.638 1.00 0.00 N ATOM 1025 CA HIS A 70 4.298 16.228 10.941 1.00 0.00 C ATOM 1026 C HIS A 70 3.948 15.020 11.805 1.00 0.00 C ATOM 1027 O HIS A 70 4.509 14.834 12.886 1.00 0.00 O ATOM 1028 CB HIS A 70 5.778 16.184 10.558 1.00 0.00 C ATOM 1029 CG HIS A 70 6.688 16.702 11.627 1.00 0.00 C ATOM 1030 ND1 HIS A 70 7.061 17.967 11.937 1.00 0.00 N flip ATOM 1031 CD2 HIS A 70 7.335 15.883 12.528 1.00 0.00 C flip ATOM 1032 CE1 HIS A 70 7.917 17.888 13.008 1.00 0.00 C flip ATOM 1033 NE2 HIS A 70 8.065 16.620 13.346 1.00 0.00 N flip ATOM 0 H HIS A 70 4.723 17.791 12.272 1.00 0.00 H new ATOM 0 HA HIS A 70 3.695 16.191 10.034 1.00 0.00 H new ATOM 0 HB2 HIS A 70 6.054 15.156 10.324 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.928 16.769 9.650 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.257 14.806 12.560 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.392 18.727 13.495 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.644 16.269 14.109 1.00 0.00 H new ATOM 1042 N VAL A 71 3.018 14.201 11.323 1.00 0.00 N ATOM 1043 CA VAL A 71 2.594 13.012 12.051 1.00 0.00 C ATOM 1044 C VAL A 71 2.439 11.819 11.114 1.00 0.00 C ATOM 1045 O VAL A 71 1.850 11.934 10.039 1.00 0.00 O ATOM 1046 CB VAL A 71 1.263 13.249 12.788 1.00 0.00 C ATOM 1047 CG1 VAL A 71 0.811 11.981 13.497 1.00 0.00 C ATOM 1048 CG2 VAL A 71 1.396 14.401 13.771 1.00 0.00 C ATOM 0 H VAL A 71 2.544 14.340 10.431 1.00 0.00 H new ATOM 0 HA VAL A 71 3.372 12.796 12.783 1.00 0.00 H new ATOM 0 HB VAL A 71 0.504 13.515 12.053 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.131 12.168 14.012 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.673 11.185 12.766 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.567 11.680 14.222 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.446 14.554 14.283 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.169 14.167 14.503 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.669 15.309 13.233 1.00 0.00 H new ATOM 1058 N VAL A 72 2.970 10.674 11.529 1.00 0.00 N ATOM 1059 CA VAL A 72 2.890 9.459 10.726 1.00 0.00 C ATOM 1060 C VAL A 72 2.130 8.364 11.465 1.00 0.00 C ATOM 1061 O VAL A 72 2.566 7.889 12.514 1.00 0.00 O ATOM 1062 CB VAL A 72 4.291 8.937 10.356 1.00 0.00 C ATOM 1063 CG1 VAL A 72 4.188 7.616 9.609 1.00 0.00 C ATOM 1064 CG2 VAL A 72 5.043 9.970 9.530 1.00 0.00 C ATOM 0 H VAL A 72 3.460 10.562 12.416 1.00 0.00 H new ATOM 0 HA VAL A 72 2.355 9.717 9.812 1.00 0.00 H new ATOM 0 HB VAL A 72 4.850 8.764 11.275 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.187 7.262 9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.691 6.879 10.240 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.611 7.759 8.695 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.031 9.585 9.277 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.489 10.177 8.614 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.149 10.889 10.106 1.00 0.00 H new ATOM 1074 N ARG A 73 0.990 7.965 10.910 1.00 0.00 N ATOM 1075 CA ARG A 73 0.168 6.924 11.515 1.00 0.00 C ATOM 1076 C ARG A 73 0.308 5.608 10.755 1.00 0.00 C ATOM 1077 O ARG A 73 0.490 5.600 9.537 1.00 0.00 O ATOM 1078 CB ARG A 73 -1.299 7.355 11.545 1.00 0.00 C ATOM 1079 CG ARG A 73 -2.072 6.808 12.733 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.581 5.401 12.465 1.00 0.00 C ATOM 1081 NE ARG A 73 -3.817 5.118 13.191 1.00 0.00 N ATOM 1082 CZ ARG A 73 -4.225 3.892 13.498 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -3.498 2.840 13.146 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -5.361 3.716 14.161 1.00 0.00 N ATOM 0 H ARG A 73 0.615 8.347 10.042 1.00 0.00 H new ATOM 0 HA ARG A 73 0.515 6.771 12.537 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.348 8.444 11.561 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.784 7.027 10.625 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.431 6.803 13.615 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.913 7.465 12.955 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.752 5.275 11.396 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.818 4.678 12.753 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.399 5.905 13.478 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.623 2.971 12.638 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.814 1.900 13.383 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.922 4.523 14.435 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.673 2.774 14.396 1.00 0.00 H new ATOM 1098 N HIS A 74 0.221 4.499 11.481 1.00 0.00 N ATOM 1099 CA HIS A 74 0.337 3.177 10.875 1.00 0.00 C ATOM 1100 C HIS A 74 -0.863 2.306 11.235 1.00 0.00 C ATOM 1101 O HIS A 74 -1.061 1.957 12.399 1.00 0.00 O ATOM 1102 CB HIS A 74 1.630 2.497 11.327 1.00 0.00 C ATOM 1103 CG HIS A 74 1.679 2.224 12.798 1.00 0.00 C ATOM 1104 ND1 HIS A 74 1.690 0.951 13.327 1.00 0.00 N ATOM 1105 CD2 HIS A 74 1.724 3.068 13.855 1.00 0.00 C ATOM 1106 CE1 HIS A 74 1.736 1.024 14.646 1.00 0.00 C ATOM 1107 NE2 HIS A 74 1.758 2.298 14.992 1.00 0.00 N ATOM 0 H HIS A 74 0.071 4.489 12.490 1.00 0.00 H new ATOM 0 HA HIS A 74 0.360 3.302 9.792 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.745 1.557 10.787 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.477 3.127 11.054 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.732 4.147 13.812 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.753 0.184 15.325 1.00 0.00 H new ATOM 0 HE2 HIS A 74 1.794 2.653 15.948 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.659 1.960 10.230 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.841 1.133 10.442 1.00 0.00 C ATOM 1118 C TYR A 75 -2.496 -0.349 10.331 1.00 0.00 C ATOM 1119 O TYR A 75 -1.796 -0.769 9.410 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.929 1.492 9.427 1.00 0.00 C ATOM 1121 CG TYR A 75 -4.629 2.798 9.727 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -5.710 2.845 10.598 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -4.210 3.984 9.138 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -6.354 4.035 10.874 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -4.847 5.180 9.410 1.00 0.00 C ATOM 1126 CZ TYR A 75 -5.918 5.200 10.278 1.00 0.00 C ATOM 1127 OH TYR A 75 -6.556 6.389 10.550 1.00 0.00 O ATOM 0 H TYR A 75 -1.508 2.239 9.261 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.213 1.327 11.448 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.483 1.548 8.434 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.668 0.691 9.400 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.053 1.935 11.068 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.373 3.971 8.456 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.194 4.053 11.552 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.508 6.094 8.945 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.125 7.113 10.051 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.992 -1.137 11.279 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.740 -2.574 11.290 1.00 0.00 C ATOM 1139 C LYS A 76 -3.931 -3.340 10.723 1.00 0.00 C ATOM 1140 O LYS A 76 -5.072 -2.886 10.811 1.00 0.00 O ATOM 1141 CB LYS A 76 -2.445 -3.049 12.714 1.00 0.00 C ATOM 1142 CG LYS A 76 -2.372 -4.560 12.848 1.00 0.00 C ATOM 1143 CD LYS A 76 -1.536 -4.975 14.047 1.00 0.00 C ATOM 1144 CE LYS A 76 -2.348 -4.938 15.332 1.00 0.00 C ATOM 1145 NZ LYS A 76 -2.423 -3.563 15.901 1.00 0.00 N ATOM 0 H LYS A 76 -3.571 -0.805 12.050 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.872 -2.771 10.661 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.500 -2.617 13.044 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.219 -2.670 13.382 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.379 -4.966 12.947 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.944 -4.986 11.940 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.147 -5.981 13.890 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.676 -4.312 14.139 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.355 -5.305 15.136 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.900 -5.610 16.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.086 -3.576 16.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.827 -2.922 15.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.408 -3.231 15.877 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.658 -4.504 10.144 1.00 0.00 N ATOM 1160 CA VAL A 77 -4.708 -5.335 9.566 1.00 0.00 C ATOM 1161 C VAL A 77 -4.611 -6.771 10.067 1.00 0.00 C ATOM 1162 O VAL A 77 -3.522 -7.339 10.152 1.00 0.00 O ATOM 1163 CB VAL A 77 -4.639 -5.335 8.026 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -5.712 -6.243 7.445 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -4.778 -3.919 7.488 1.00 0.00 C ATOM 0 H VAL A 77 -2.719 -4.894 10.062 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.660 -4.907 9.881 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.666 -5.721 7.722 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.649 -6.231 6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.562 -7.261 7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.695 -5.889 7.755 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.727 -3.937 6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.736 -3.504 7.800 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.970 -3.300 7.879 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.758 -7.354 10.399 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.805 -8.726 10.891 1.00 0.00 C ATOM 1177 C LYS A 78 -6.058 -9.705 9.749 1.00 0.00 C ATOM 1178 O LYS A 78 -6.673 -9.353 8.742 1.00 0.00 O ATOM 1179 CB LYS A 78 -6.898 -8.871 11.953 1.00 0.00 C ATOM 1180 CG LYS A 78 -6.969 -10.258 12.567 1.00 0.00 C ATOM 1181 CD LYS A 78 -8.218 -10.430 13.415 1.00 0.00 C ATOM 1182 CE LYS A 78 -8.427 -11.883 13.812 1.00 0.00 C ATOM 1183 NZ LYS A 78 -7.692 -12.228 15.060 1.00 0.00 N ATOM 0 H LYS A 78 -6.668 -6.897 10.336 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.839 -8.959 11.338 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.724 -8.141 12.744 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.862 -8.631 11.505 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.959 -11.008 11.776 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.085 -10.431 13.181 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.138 -9.815 14.311 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.087 -10.075 12.861 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.491 -12.071 13.953 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.093 -12.532 13.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.860 -13.227 15.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.674 -12.073 14.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.028 -11.626 15.839 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.582 -10.935 9.915 1.00 0.00 N ATOM 1198 CA ARG A 79 -5.757 -11.964 8.897 1.00 0.00 C ATOM 1199 C ARG A 79 -6.720 -13.046 9.378 1.00 0.00 C ATOM 1200 O ARG A 79 -6.352 -13.909 10.173 1.00 0.00 O ATOM 1201 CB ARG A 79 -4.408 -12.592 8.538 1.00 0.00 C ATOM 1202 CG ARG A 79 -4.340 -13.113 7.112 1.00 0.00 C ATOM 1203 CD ARG A 79 -5.144 -14.392 6.947 1.00 0.00 C ATOM 1204 NE ARG A 79 -4.862 -15.057 5.678 1.00 0.00 N ATOM 1205 CZ ARG A 79 -5.047 -16.356 5.472 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -5.515 -17.125 6.446 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -4.767 -16.889 4.289 1.00 0.00 N ATOM 0 H ARG A 79 -5.073 -11.243 10.744 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.179 -11.493 8.009 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.622 -11.851 8.683 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.204 -13.413 9.226 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.718 -12.354 6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.301 -13.298 6.840 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.918 -15.071 7.770 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.208 -14.162 7.007 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.503 -14.493 4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.734 -16.719 7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.656 -18.122 6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.409 -16.301 3.536 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.910 -17.887 4.133 1.00 0.00 H new ATOM 1221 N GLU A 80 -7.956 -12.989 8.891 1.00 0.00 N ATOM 1222 CA GLU A 80 -8.972 -13.963 9.273 1.00 0.00 C ATOM 1223 C GLU A 80 -9.560 -14.647 8.041 1.00 0.00 C ATOM 1224 O GLU A 80 -10.475 -14.125 7.406 1.00 0.00 O ATOM 1225 CB GLU A 80 -10.085 -13.285 10.073 1.00 0.00 C ATOM 1226 CG GLU A 80 -11.231 -14.216 10.434 1.00 0.00 C ATOM 1227 CD GLU A 80 -11.986 -13.761 11.667 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -11.562 -14.117 12.787 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -13.000 -13.049 11.513 1.00 0.00 O ATOM 0 H GLU A 80 -8.277 -12.280 8.232 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.497 -14.720 9.896 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.662 -12.871 10.989 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.477 -12.447 9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.921 -14.280 9.593 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.840 -15.219 10.602 1.00 0.00 H new ATOM 1236 N GLY A 81 -9.027 -15.820 7.712 1.00 0.00 N ATOM 1237 CA GLY A 81 -9.511 -16.556 6.558 1.00 0.00 C ATOM 1238 C GLY A 81 -9.150 -15.883 5.249 1.00 0.00 C ATOM 1239 O GLY A 81 -8.157 -15.162 5.148 1.00 0.00 O ATOM 0 H GLY A 81 -8.270 -16.273 8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.094 -17.563 6.572 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.594 -16.658 6.624 1.00 0.00 H new ATOM 1243 N PRO A 82 -9.971 -16.118 4.213 1.00 0.00 N ATOM 1244 CA PRO A 82 -9.754 -15.539 2.884 1.00 0.00 C ATOM 1245 C PRO A 82 -9.996 -14.033 2.861 1.00 0.00 C ATOM 1246 O PRO A 82 -9.747 -13.369 1.855 1.00 0.00 O ATOM 1247 CB PRO A 82 -10.784 -16.259 2.011 1.00 0.00 C ATOM 1248 CG PRO A 82 -11.859 -16.672 2.955 1.00 0.00 C ATOM 1249 CD PRO A 82 -11.174 -16.966 4.261 1.00 0.00 C ATOM 0 HA PRO A 82 -8.725 -15.667 2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.172 -15.602 1.233 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.344 -17.121 1.510 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.600 -15.881 3.072 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -12.387 -17.551 2.585 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.808 -16.717 5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -10.918 -18.022 4.352 1.00 0.00 H new ATOM 1257 N LYS A 83 -10.483 -13.500 3.977 1.00 0.00 N ATOM 1258 CA LYS A 83 -10.757 -12.073 4.086 1.00 0.00 C ATOM 1259 C LYS A 83 -9.770 -11.399 5.033 1.00 0.00 C ATOM 1260 O LYS A 83 -9.128 -12.061 5.849 1.00 0.00 O ATOM 1261 CB LYS A 83 -12.189 -11.843 4.578 1.00 0.00 C ATOM 1262 CG LYS A 83 -12.517 -12.588 5.860 1.00 0.00 C ATOM 1263 CD LYS A 83 -13.770 -12.035 6.519 1.00 0.00 C ATOM 1264 CE LYS A 83 -14.072 -12.750 7.828 1.00 0.00 C ATOM 1265 NZ LYS A 83 -14.851 -11.891 8.762 1.00 0.00 N ATOM 0 H LYS A 83 -10.696 -14.036 4.819 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.643 -11.631 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.343 -10.776 4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.886 -12.152 3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.656 -13.647 5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.677 -12.513 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.644 -10.969 6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.617 -12.142 5.841 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.631 -13.663 7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.137 -13.048 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.036 -12.414 9.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.307 -11.031 8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.754 -11.627 8.319 1.00 0.00 H new ATOM 1279 N TYR A 84 -9.653 -10.081 4.920 1.00 0.00 N ATOM 1280 CA TYR A 84 -8.742 -9.319 5.766 1.00 0.00 C ATOM 1281 C TYR A 84 -9.504 -8.303 6.611 1.00 0.00 C ATOM 1282 O TYR A 84 -9.938 -7.264 6.112 1.00 0.00 O ATOM 1283 CB TYR A 84 -7.695 -8.604 4.910 1.00 0.00 C ATOM 1284 CG TYR A 84 -7.101 -9.476 3.827 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -6.650 -10.759 4.110 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -6.989 -9.015 2.520 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -6.106 -11.559 3.124 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -6.448 -9.808 1.528 1.00 0.00 C ATOM 1289 CZ TYR A 84 -6.008 -11.079 1.834 1.00 0.00 C ATOM 1290 OH TYR A 84 -5.466 -11.872 0.849 1.00 0.00 O ATOM 0 H TYR A 84 -10.178 -9.518 4.251 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.239 -10.017 6.435 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.151 -7.727 4.450 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.894 -8.244 5.556 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.726 -11.138 5.119 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.331 -8.020 2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.760 -12.554 3.361 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.370 -9.435 0.517 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.471 -11.386 -0.002 1.00 0.00 H new ATOM 1300 N VAL A 85 -9.664 -8.610 7.894 1.00 0.00 N ATOM 1301 CA VAL A 85 -10.372 -7.724 8.811 1.00 0.00 C ATOM 1302 C VAL A 85 -9.459 -6.613 9.317 1.00 0.00 C ATOM 1303 O VAL A 85 -8.548 -6.857 10.107 1.00 0.00 O ATOM 1304 CB VAL A 85 -10.937 -8.499 10.016 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -11.606 -7.547 10.997 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -11.910 -9.571 9.551 1.00 0.00 C ATOM 0 H VAL A 85 -9.313 -9.466 8.323 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.198 -7.284 8.252 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.111 -8.990 10.530 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.999 -8.112 11.842 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.876 -6.821 11.355 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.423 -7.025 10.498 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.299 -10.109 10.416 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.735 -9.105 9.012 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.394 -10.269 8.892 1.00 0.00 H new ATOM 1316 N ILE A 86 -9.710 -5.393 8.855 1.00 0.00 N ATOM 1317 CA ILE A 86 -8.911 -4.244 9.262 1.00 0.00 C ATOM 1318 C ILE A 86 -8.819 -4.149 10.782 1.00 0.00 C ATOM 1319 O ILE A 86 -9.748 -4.526 11.495 1.00 0.00 O ATOM 1320 CB ILE A 86 -9.495 -2.929 8.713 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -9.539 -2.965 7.184 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -8.676 -1.742 9.196 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -10.057 -1.686 6.563 1.00 0.00 C ATOM 0 H ILE A 86 -10.460 -5.175 8.199 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.914 -4.391 8.847 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.513 -2.818 9.086 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.537 -3.163 6.805 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.170 -3.795 6.866 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.102 -0.820 8.799 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.691 -1.709 10.285 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.647 -1.845 8.850 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.060 -1.784 5.477 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.072 -1.496 6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.413 -0.855 6.850 1.00 0.00 H new ATOM 1335 N ASP A 87 -7.693 -3.641 11.270 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.479 -3.493 12.704 1.00 0.00 C ATOM 1337 C ASP A 87 -7.857 -2.090 13.169 1.00 0.00 C ATOM 1338 O ASP A 87 -7.119 -1.453 13.920 1.00 0.00 O ATOM 1339 CB ASP A 87 -6.019 -3.785 13.057 1.00 0.00 C ATOM 1340 CG ASP A 87 -5.864 -4.360 14.451 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -5.934 -5.599 14.592 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -5.675 -3.573 15.401 1.00 0.00 O ATOM 0 H ASP A 87 -6.914 -3.325 10.693 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.119 -4.211 13.217 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.606 -4.485 12.331 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.439 -2.866 12.980 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.013 -1.613 12.716 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.489 -0.286 13.085 1.00 0.00 C ATOM 1349 C VAL A 88 -10.674 -0.373 14.039 1.00 0.00 C ATOM 1350 O VAL A 88 -11.151 -1.463 14.353 1.00 0.00 O ATOM 1351 CB VAL A 88 -9.902 0.527 11.844 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -8.686 0.854 10.990 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -10.944 -0.230 11.034 1.00 0.00 C ATOM 0 H VAL A 88 -9.636 -2.127 12.093 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.662 0.220 13.583 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.345 1.466 12.177 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.998 1.429 10.118 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.977 1.439 11.576 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.211 -0.071 10.664 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.224 0.359 10.161 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.530 -1.185 10.710 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.825 -0.407 11.650 1.00 0.00 H new ATOM 1363 N GLU A 89 -11.145 0.783 14.498 1.00 0.00 N ATOM 1364 CA GLU A 89 -12.275 0.836 15.417 1.00 0.00 C ATOM 1365 C GLU A 89 -13.278 -0.271 15.111 1.00 0.00 C ATOM 1366 O GLU A 89 -13.714 -0.993 16.008 1.00 0.00 O ATOM 1367 CB GLU A 89 -12.962 2.200 15.336 1.00 0.00 C ATOM 1368 CG GLU A 89 -14.319 2.240 16.019 1.00 0.00 C ATOM 1369 CD GLU A 89 -14.232 1.965 17.508 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -13.651 2.802 18.231 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -14.744 0.916 17.950 1.00 0.00 O ATOM 0 H GLU A 89 -10.761 1.694 14.248 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.896 0.688 16.428 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.315 2.951 15.789 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.084 2.474 14.288 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -14.773 3.218 15.860 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.977 1.505 15.555 1.00 0.00 H new ATOM 1378 N GLN A 90 -13.641 -0.396 13.839 1.00 0.00 N ATOM 1379 CA GLN A 90 -14.595 -1.415 13.414 1.00 0.00 C ATOM 1380 C GLN A 90 -13.939 -2.413 12.466 1.00 0.00 C ATOM 1381 O GLN A 90 -13.246 -2.045 11.518 1.00 0.00 O ATOM 1382 CB GLN A 90 -15.800 -0.763 12.732 1.00 0.00 C ATOM 1383 CG GLN A 90 -16.556 0.205 13.629 1.00 0.00 C ATOM 1384 CD GLN A 90 -17.816 0.738 12.978 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -18.516 0.015 12.268 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -18.113 2.011 13.217 1.00 0.00 N ATOM 0 H GLN A 90 -13.290 0.194 13.085 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.934 -1.952 14.300 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.460 -0.232 11.843 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.483 -1.543 12.396 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -16.817 -0.297 14.561 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -15.904 1.039 13.888 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -17.505 2.574 13.812 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -18.949 2.425 12.806 1.00 0.00 H new ATOM 1395 N PRO A 91 -14.160 -3.711 12.727 1.00 0.00 N ATOM 1396 CA PRO A 91 -13.600 -4.790 11.908 1.00 0.00 C ATOM 1397 C PRO A 91 -14.236 -4.858 10.525 1.00 0.00 C ATOM 1398 O PRO A 91 -15.201 -5.592 10.309 1.00 0.00 O ATOM 1399 CB PRO A 91 -13.928 -6.051 12.711 1.00 0.00 C ATOM 1400 CG PRO A 91 -15.124 -5.685 13.519 1.00 0.00 C ATOM 1401 CD PRO A 91 -14.977 -4.224 13.840 1.00 0.00 C ATOM 0 HA PRO A 91 -12.535 -4.651 11.723 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.137 -6.895 12.054 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.093 -6.342 13.349 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.043 -5.872 12.963 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.177 -6.281 14.430 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -15.944 -3.725 13.892 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.487 -4.071 14.802 1.00 0.00 H new ATOM 1409 N PHE A 92 -13.689 -4.090 9.589 1.00 0.00 N ATOM 1410 CA PHE A 92 -14.204 -4.064 8.224 1.00 0.00 C ATOM 1411 C PHE A 92 -13.768 -5.307 7.454 1.00 0.00 C ATOM 1412 O PHE A 92 -12.624 -5.406 7.010 1.00 0.00 O ATOM 1413 CB PHE A 92 -13.721 -2.806 7.499 1.00 0.00 C ATOM 1414 CG PHE A 92 -13.898 -2.868 6.009 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -15.163 -2.820 5.446 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -12.800 -2.974 5.171 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -15.330 -2.877 4.075 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -12.961 -3.030 3.800 1.00 0.00 C ATOM 1419 CZ PHE A 92 -14.227 -2.983 3.250 1.00 0.00 C ATOM 0 H PHE A 92 -12.890 -3.477 9.750 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.293 -4.052 8.273 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -14.263 -1.943 7.886 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.667 -2.648 7.725 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -16.029 -2.737 6.086 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -11.807 -3.013 5.594 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.322 -2.839 3.649 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.096 -3.111 3.158 1.00 0.00 H new ATOM 0 HZ PHE A 92 -14.354 -3.029 2.179 1.00 0.00 H new ATOM 1429 N SER A 93 -14.689 -6.254 7.302 1.00 0.00 N ATOM 1430 CA SER A 93 -14.400 -7.492 6.590 1.00 0.00 C ATOM 1431 C SER A 93 -14.642 -7.328 5.092 1.00 0.00 C ATOM 1432 O SER A 93 -15.745 -6.990 4.664 1.00 0.00 O ATOM 1433 CB SER A 93 -15.263 -8.632 7.135 1.00 0.00 C ATOM 1434 OG SER A 93 -16.643 -8.340 6.991 1.00 0.00 O ATOM 0 H SER A 93 -15.641 -6.187 7.663 1.00 0.00 H new ATOM 0 HA SER A 93 -13.349 -7.734 6.746 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.026 -9.556 6.607 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.031 -8.797 8.187 1.00 0.00 H new ATOM 0 HG SER A 93 -16.769 -7.713 6.249 1.00 0.00 H new ATOM 1440 N CYS A 94 -13.601 -7.569 4.302 1.00 0.00 N ATOM 1441 CA CYS A 94 -13.699 -7.446 2.852 1.00 0.00 C ATOM 1442 C CYS A 94 -13.291 -8.747 2.168 1.00 0.00 C ATOM 1443 O CYS A 94 -12.981 -9.739 2.828 1.00 0.00 O ATOM 1444 CB CYS A 94 -12.819 -6.298 2.356 1.00 0.00 C ATOM 1445 SG CYS A 94 -11.048 -6.564 2.603 1.00 0.00 S ATOM 0 H CYS A 94 -12.681 -7.850 4.641 1.00 0.00 H new ATOM 0 HA CYS A 94 -14.738 -7.233 2.599 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -13.007 -6.143 1.294 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -13.113 -5.382 2.869 1.00 0.00 H new ATOM 0 HG CYS A 94 -10.400 -6.181 1.543 1.00 0.00 H new ATOM 1451 N THR A 95 -13.294 -8.738 0.838 1.00 0.00 N ATOM 1452 CA THR A 95 -12.927 -9.916 0.064 1.00 0.00 C ATOM 1453 C THR A 95 -11.421 -9.976 -0.166 1.00 0.00 C ATOM 1454 O THR A 95 -10.806 -11.035 -0.039 1.00 0.00 O ATOM 1455 CB THR A 95 -13.644 -9.939 -1.299 1.00 0.00 C ATOM 1456 OG1 THR A 95 -13.311 -8.766 -2.048 1.00 0.00 O ATOM 1457 CG2 THR A 95 -15.153 -10.018 -1.115 1.00 0.00 C ATOM 0 H THR A 95 -13.547 -7.926 0.275 1.00 0.00 H new ATOM 0 HA THR A 95 -13.238 -10.784 0.645 1.00 0.00 H new ATOM 0 HB THR A 95 -13.313 -10.823 -1.844 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.770 -8.790 -2.914 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.638 -10.033 -2.091 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.406 -10.927 -0.570 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.497 -9.150 -0.552 1.00 0.00 H new ATOM 1465 N SER A 96 -10.833 -8.833 -0.505 1.00 0.00 N ATOM 1466 CA SER A 96 -9.398 -8.757 -0.756 1.00 0.00 C ATOM 1467 C SER A 96 -8.856 -7.378 -0.393 1.00 0.00 C ATOM 1468 O SER A 96 -9.606 -6.493 0.021 1.00 0.00 O ATOM 1469 CB SER A 96 -9.100 -9.065 -2.225 1.00 0.00 C ATOM 1470 OG SER A 96 -7.704 -9.161 -2.452 1.00 0.00 O ATOM 0 H SER A 96 -11.328 -7.947 -0.612 1.00 0.00 H new ATOM 0 HA SER A 96 -8.904 -9.499 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.583 -10.000 -2.509 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.522 -8.283 -2.857 1.00 0.00 H new ATOM 0 HG SER A 96 -7.539 -9.360 -3.397 1.00 0.00 H new ATOM 1476 N LEU A 97 -7.549 -7.203 -0.553 1.00 0.00 N ATOM 1477 CA LEU A 97 -6.904 -5.931 -0.242 1.00 0.00 C ATOM 1478 C LEU A 97 -7.534 -4.793 -1.037 1.00 0.00 C ATOM 1479 O LEU A 97 -7.768 -3.707 -0.507 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.406 -6.011 -0.541 1.00 0.00 C ATOM 1481 CG LEU A 97 -4.556 -6.764 0.482 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -3.154 -7.000 -0.057 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -4.502 -5.999 1.797 1.00 0.00 C ATOM 0 H LEU A 97 -6.915 -7.925 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.046 -5.729 0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.275 -6.487 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.019 -4.996 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.019 -7.733 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.564 -7.537 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.210 -7.590 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.681 -6.042 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.893 -6.550 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.063 -5.016 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.511 -5.883 2.192 1.00 0.00 H new ATOM 1495 N ASP A 98 -7.807 -5.048 -2.312 1.00 0.00 N ATOM 1496 CA ASP A 98 -8.414 -4.046 -3.180 1.00 0.00 C ATOM 1497 C ASP A 98 -9.453 -3.227 -2.421 1.00 0.00 C ATOM 1498 O ASP A 98 -9.348 -2.004 -2.330 1.00 0.00 O ATOM 1499 CB ASP A 98 -9.059 -4.715 -4.394 1.00 0.00 C ATOM 1500 CG ASP A 98 -9.444 -3.718 -5.468 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -8.875 -2.606 -5.478 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -10.314 -4.048 -6.301 1.00 0.00 O ATOM 0 H ASP A 98 -7.617 -5.941 -2.767 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.628 -3.373 -3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.367 -5.446 -4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.946 -5.262 -4.075 1.00 0.00 H new ATOM 1507 N ALA A 99 -10.457 -3.910 -1.880 1.00 0.00 N ATOM 1508 CA ALA A 99 -11.514 -3.245 -1.128 1.00 0.00 C ATOM 1509 C ALA A 99 -10.934 -2.293 -0.088 1.00 0.00 C ATOM 1510 O ALA A 99 -11.235 -1.099 -0.090 1.00 0.00 O ATOM 1511 CB ALA A 99 -12.413 -4.275 -0.461 1.00 0.00 C ATOM 0 H ALA A 99 -10.560 -4.922 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.109 -2.657 -1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.198 -3.765 0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.864 -4.912 -1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.822 -4.887 0.220 1.00 0.00 H new ATOM 1517 N VAL A 100 -10.103 -2.828 0.799 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.480 -2.026 1.844 1.00 0.00 C ATOM 1519 C VAL A 100 -9.094 -0.646 1.322 1.00 0.00 C ATOM 1520 O VAL A 100 -9.501 0.376 1.875 1.00 0.00 O ATOM 1521 CB VAL A 100 -8.226 -2.718 2.412 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.581 -1.855 3.486 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.578 -4.092 2.959 1.00 0.00 C ATOM 0 H VAL A 100 -9.845 -3.815 0.815 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.217 -1.917 2.640 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.506 -2.848 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.697 -2.360 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.292 -0.896 3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.292 -1.691 4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.681 -4.566 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.316 -3.989 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.990 -4.707 2.159 1.00 0.00 H new ATOM 1533 N VAL A 101 -8.306 -0.624 0.252 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.865 0.630 -0.348 1.00 0.00 C ATOM 1535 C VAL A 101 -9.016 1.625 -0.448 1.00 0.00 C ATOM 1536 O VAL A 101 -8.880 2.787 -0.068 1.00 0.00 O ATOM 1537 CB VAL A 101 -7.272 0.403 -1.751 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -6.807 1.721 -2.352 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -6.129 -0.598 -1.691 1.00 0.00 C ATOM 0 H VAL A 101 -7.960 -1.461 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.091 1.038 0.302 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.050 -0.008 -2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.391 1.542 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.653 2.403 -2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.043 2.163 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.722 -0.746 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.347 -0.218 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.498 -1.548 -1.305 1.00 0.00 H new ATOM 1549 N ASN A 102 -10.149 1.159 -0.963 1.00 0.00 N ATOM 1550 CA ASN A 102 -11.326 2.009 -1.114 1.00 0.00 C ATOM 1551 C ASN A 102 -11.881 2.416 0.248 1.00 0.00 C ATOM 1552 O ASN A 102 -12.314 3.553 0.438 1.00 0.00 O ATOM 1553 CB ASN A 102 -12.404 1.283 -1.922 1.00 0.00 C ATOM 1554 CG ASN A 102 -12.020 1.115 -3.379 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -12.456 1.879 -4.239 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -11.200 0.109 -3.662 1.00 0.00 N ATOM 0 H ASN A 102 -10.278 0.199 -1.283 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.027 2.911 -1.648 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.586 0.303 -1.482 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.339 1.840 -1.857 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.907 -0.055 -4.625 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.863 -0.500 -2.916 1.00 0.00 H new ATOM 1563 N TYR A 103 -11.865 1.481 1.190 1.00 0.00 N ATOM 1564 CA TYR A 103 -12.369 1.741 2.533 1.00 0.00 C ATOM 1565 C TYR A 103 -11.712 2.982 3.130 1.00 0.00 C ATOM 1566 O TYR A 103 -12.392 3.878 3.631 1.00 0.00 O ATOM 1567 CB TYR A 103 -12.118 0.533 3.438 1.00 0.00 C ATOM 1568 CG TYR A 103 -12.530 0.757 4.875 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -13.871 0.862 5.226 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -11.579 0.864 5.883 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -14.252 1.067 6.538 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -11.952 1.068 7.198 1.00 0.00 C ATOM 1573 CZ TYR A 103 -13.289 1.169 7.520 1.00 0.00 C ATOM 1574 OH TYR A 103 -13.664 1.373 8.828 1.00 0.00 O ATOM 0 H TYR A 103 -11.508 0.536 1.049 1.00 0.00 H new ATOM 0 HA TYR A 103 -13.442 1.917 2.463 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -12.661 -0.325 3.043 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.058 0.281 3.408 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.628 0.782 4.460 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -10.531 0.786 5.634 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.298 1.147 6.793 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -11.200 1.148 7.969 1.00 0.00 H new ATOM 0 HH TYR A 103 -13.212 0.721 9.403 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.386 3.028 3.072 1.00 0.00 N ATOM 1585 CA PHE A 104 -9.636 4.159 3.606 1.00 0.00 C ATOM 1586 C PHE A 104 -10.035 5.455 2.909 1.00 0.00 C ATOM 1587 O PHE A 104 -10.283 6.471 3.557 1.00 0.00 O ATOM 1588 CB PHE A 104 -8.132 3.922 3.447 1.00 0.00 C ATOM 1589 CG PHE A 104 -7.530 3.120 4.564 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -7.978 1.837 4.834 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -6.514 3.648 5.344 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.426 1.097 5.862 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -5.957 2.912 6.373 1.00 0.00 C ATOM 1594 CZ PHE A 104 -6.413 1.635 6.633 1.00 0.00 C ATOM 0 H PHE A 104 -9.808 2.295 2.661 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.872 4.251 4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.951 3.408 2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.625 4.885 3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.768 1.410 4.234 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.153 4.646 5.146 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.786 0.099 6.063 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.165 3.336 6.973 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.979 1.058 7.437 1.00 0.00 H new ATOM 1604 N VAL A 105 -10.094 5.411 1.581 1.00 0.00 N ATOM 1605 CA VAL A 105 -10.464 6.581 0.794 1.00 0.00 C ATOM 1606 C VAL A 105 -11.719 7.245 1.350 1.00 0.00 C ATOM 1607 O VAL A 105 -11.699 8.417 1.725 1.00 0.00 O ATOM 1608 CB VAL A 105 -10.703 6.212 -0.683 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -11.149 7.432 -1.474 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -9.448 5.602 -1.289 1.00 0.00 C ATOM 0 H VAL A 105 -9.890 4.578 1.029 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.630 7.280 0.856 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.499 5.469 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -11.313 7.151 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -12.076 7.820 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.378 8.201 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.635 5.347 -2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.630 6.320 -1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.179 4.701 -0.738 1.00 0.00 H new ATOM 1620 N SER A 106 -12.809 6.486 1.401 1.00 0.00 N ATOM 1621 CA SER A 106 -14.075 7.001 1.909 1.00 0.00 C ATOM 1622 C SER A 106 -13.942 7.431 3.366 1.00 0.00 C ATOM 1623 O SER A 106 -14.249 8.571 3.721 1.00 0.00 O ATOM 1624 CB SER A 106 -15.171 5.942 1.777 1.00 0.00 C ATOM 1625 OG SER A 106 -16.432 6.462 2.159 1.00 0.00 O ATOM 0 H SER A 106 -12.841 5.513 1.097 1.00 0.00 H new ATOM 0 HA SER A 106 -14.348 7.873 1.314 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.217 5.588 0.747 1.00 0.00 H new ATOM 0 HB3 SER A 106 -14.926 5.081 2.399 1.00 0.00 H new ATOM 0 HG SER A 106 -17.115 5.766 2.064 1.00 0.00 H new ATOM 1631 N HIS A 107 -13.480 6.512 4.207 1.00 0.00 N ATOM 1632 CA HIS A 107 -13.304 6.795 5.628 1.00 0.00 C ATOM 1633 C HIS A 107 -12.679 8.171 5.834 1.00 0.00 C ATOM 1634 O HIS A 107 -13.219 9.010 6.556 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.431 5.723 6.279 1.00 0.00 C ATOM 1636 CG HIS A 107 -12.346 5.843 7.770 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -12.109 6.917 8.559 1.00 0.00 N flip ATOM 1638 CD2 HIS A 107 -12.511 4.772 8.622 1.00 0.00 C flip ATOM 1639 CE1 HIS A 107 -12.136 6.479 9.861 1.00 0.00 C flip ATOM 1640 NE2 HIS A 107 -12.381 5.182 9.871 1.00 0.00 N flip ATOM 0 H HIS A 107 -13.221 5.565 3.930 1.00 0.00 H new ATOM 0 HA HIS A 107 -14.287 6.787 6.099 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.827 4.740 6.024 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.426 5.781 5.860 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.715 3.756 8.316 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -11.982 7.096 10.734 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -12.457 4.596 10.702 1.00 0.00 H new ATOM 1649 N THR A 108 -11.535 8.399 5.196 1.00 0.00 N ATOM 1650 CA THR A 108 -10.835 9.672 5.310 1.00 0.00 C ATOM 1651 C THR A 108 -11.700 10.822 4.810 1.00 0.00 C ATOM 1652 O THR A 108 -12.259 10.761 3.714 1.00 0.00 O ATOM 1653 CB THR A 108 -9.511 9.658 4.522 1.00 0.00 C ATOM 1654 OG1 THR A 108 -9.741 9.194 3.187 1.00 0.00 O ATOM 1655 CG2 THR A 108 -8.484 8.768 5.204 1.00 0.00 C ATOM 0 H THR A 108 -11.073 7.717 4.594 1.00 0.00 H new ATOM 0 HA THR A 108 -10.617 9.819 6.368 1.00 0.00 H new ATOM 0 HB THR A 108 -9.122 10.676 4.491 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.705 9.171 3.010 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.558 8.774 4.629 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.289 9.141 6.209 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.867 7.749 5.263 1.00 0.00 H new ATOM 1663 N LYS A 109 -11.807 11.872 5.616 1.00 0.00 N ATOM 1664 CA LYS A 109 -12.603 13.039 5.255 1.00 0.00 C ATOM 1665 C LYS A 109 -12.493 13.329 3.762 1.00 0.00 C ATOM 1666 O LYS A 109 -13.495 13.347 3.048 1.00 0.00 O ATOM 1667 CB LYS A 109 -12.149 14.260 6.058 1.00 0.00 C ATOM 1668 CG LYS A 109 -12.891 15.535 5.698 1.00 0.00 C ATOM 1669 CD LYS A 109 -12.500 16.685 6.611 1.00 0.00 C ATOM 1670 CE LYS A 109 -11.194 17.327 6.169 1.00 0.00 C ATOM 1671 NZ LYS A 109 -10.985 18.655 6.810 1.00 0.00 N ATOM 0 H LYS A 109 -11.351 11.939 6.526 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.646 12.825 5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.286 14.057 7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.082 14.413 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.677 15.802 4.663 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.965 15.364 5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.292 17.434 6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.400 16.322 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.362 16.668 6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.195 17.443 5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -10.085 19.060 6.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.765 19.292 6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -10.959 18.541 7.843 1.00 0.00 H new ATOM 1685 N LYS A 110 -11.270 13.557 3.296 1.00 0.00 N ATOM 1686 CA LYS A 110 -11.028 13.845 1.887 1.00 0.00 C ATOM 1687 C LYS A 110 -10.407 12.642 1.185 1.00 0.00 C ATOM 1688 O LYS A 110 -9.504 11.999 1.718 1.00 0.00 O ATOM 1689 CB LYS A 110 -10.112 15.062 1.743 1.00 0.00 C ATOM 1690 CG LYS A 110 -10.254 15.776 0.411 1.00 0.00 C ATOM 1691 CD LYS A 110 -11.471 16.686 0.390 1.00 0.00 C ATOM 1692 CE LYS A 110 -11.221 17.969 1.169 1.00 0.00 C ATOM 1693 NZ LYS A 110 -10.525 18.992 0.340 1.00 0.00 N ATOM 0 H LYS A 110 -10.430 13.548 3.874 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.987 14.063 1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -10.327 15.765 2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.077 14.744 1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.357 16.363 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -10.335 15.041 -0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -11.727 16.929 -0.641 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -12.326 16.161 0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -12.171 18.371 1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.622 17.747 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.372 19.852 0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.607 18.618 0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.109 19.222 -0.489 1.00 0.00 H new ATOM 1707 N ALA A 111 -10.897 12.345 -0.016 1.00 0.00 N ATOM 1708 CA ALA A 111 -10.386 11.222 -0.792 1.00 0.00 C ATOM 1709 C ALA A 111 -8.875 11.321 -0.973 1.00 0.00 C ATOM 1710 O ALA A 111 -8.387 12.116 -1.777 1.00 0.00 O ATOM 1711 CB ALA A 111 -11.079 11.158 -2.145 1.00 0.00 C ATOM 0 H ALA A 111 -11.646 12.866 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.599 10.305 -0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -10.688 10.315 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.152 11.031 -1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.894 12.082 -2.692 1.00 0.00 H new ATOM 1717 N LEU A 112 -8.140 10.510 -0.220 1.00 0.00 N ATOM 1718 CA LEU A 112 -6.683 10.507 -0.297 1.00 0.00 C ATOM 1719 C LEU A 112 -6.206 9.784 -1.552 1.00 0.00 C ATOM 1720 O LEU A 112 -6.953 9.021 -2.164 1.00 0.00 O ATOM 1721 CB LEU A 112 -6.089 9.841 0.945 1.00 0.00 C ATOM 1722 CG LEU A 112 -4.715 10.348 1.387 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -4.835 11.716 2.040 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -4.060 9.357 2.337 1.00 0.00 C ATOM 0 H LEU A 112 -8.528 9.847 0.450 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.344 11.542 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.786 9.974 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.016 8.770 0.758 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.084 10.444 0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.848 12.060 2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.260 12.423 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.484 11.647 2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.084 9.735 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.689 9.227 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.938 8.398 1.834 1.00 0.00 H new ATOM 1736 N VAL A 113 -4.955 10.028 -1.931 1.00 0.00 N ATOM 1737 CA VAL A 113 -4.376 9.399 -3.112 1.00 0.00 C ATOM 1738 C VAL A 113 -3.434 8.264 -2.723 1.00 0.00 C ATOM 1739 O VAL A 113 -2.591 8.400 -1.837 1.00 0.00 O ATOM 1740 CB VAL A 113 -3.606 10.419 -3.971 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -2.820 9.710 -5.064 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -4.561 11.441 -4.567 1.00 0.00 C ATOM 0 H VAL A 113 -4.323 10.657 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.204 8.997 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.898 10.947 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.282 10.446 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.108 9.020 -4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.506 9.155 -5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.000 12.154 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.294 10.932 -5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.075 11.970 -3.764 1.00 0.00 H new ATOM 1752 N PRO A 114 -3.580 7.116 -3.402 1.00 0.00 N ATOM 1753 CA PRO A 114 -2.751 5.935 -3.145 1.00 0.00 C ATOM 1754 C PRO A 114 -1.308 6.132 -3.596 1.00 0.00 C ATOM 1755 O PRO A 114 -1.029 6.935 -4.486 1.00 0.00 O ATOM 1756 CB PRO A 114 -3.426 4.841 -3.977 1.00 0.00 C ATOM 1757 CG PRO A 114 -4.130 5.573 -5.067 1.00 0.00 C ATOM 1758 CD PRO A 114 -4.566 6.883 -4.470 1.00 0.00 C ATOM 0 HA PRO A 114 -2.688 5.704 -2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.694 4.141 -4.379 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.125 4.260 -3.375 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.470 5.733 -5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.987 5.005 -5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.555 7.685 -5.209 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.580 6.827 -4.075 1.00 0.00 H new ATOM 1766 N PHE A 115 -0.393 5.393 -2.976 1.00 0.00 N ATOM 1767 CA PHE A 115 1.023 5.487 -3.313 1.00 0.00 C ATOM 1768 C PHE A 115 1.432 4.364 -4.260 1.00 0.00 C ATOM 1769 O PHE A 115 1.394 3.186 -3.899 1.00 0.00 O ATOM 1770 CB PHE A 115 1.875 5.435 -2.044 1.00 0.00 C ATOM 1771 CG PHE A 115 3.313 5.806 -2.272 1.00 0.00 C ATOM 1772 CD1 PHE A 115 4.108 5.057 -3.125 1.00 0.00 C ATOM 1773 CD2 PHE A 115 3.869 6.902 -1.634 1.00 0.00 C ATOM 1774 CE1 PHE A 115 5.431 5.396 -3.336 1.00 0.00 C ATOM 1775 CE2 PHE A 115 5.192 7.246 -1.841 1.00 0.00 C ATOM 1776 CZ PHE A 115 5.974 6.493 -2.694 1.00 0.00 C ATOM 0 H PHE A 115 -0.607 4.723 -2.238 1.00 0.00 H new ATOM 0 HA PHE A 115 1.189 6.440 -3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.448 6.109 -1.301 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.829 4.429 -1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.689 4.199 -3.630 1.00 0.00 H new ATOM 0 HD2 PHE A 115 3.262 7.495 -0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 115 6.041 4.804 -4.002 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.613 8.103 -1.336 1.00 0.00 H new ATOM 0 HZ PHE A 115 7.007 6.760 -2.859 1.00 0.00 H new ATOM 1786 N LEU A 116 1.822 4.734 -5.474 1.00 0.00 N ATOM 1787 CA LEU A 116 2.239 3.759 -6.475 1.00 0.00 C ATOM 1788 C LEU A 116 3.576 4.150 -7.095 1.00 0.00 C ATOM 1789 O LEU A 116 3.779 5.302 -7.484 1.00 0.00 O ATOM 1790 CB LEU A 116 1.175 3.633 -7.568 1.00 0.00 C ATOM 1791 CG LEU A 116 1.576 2.833 -8.807 1.00 0.00 C ATOM 1792 CD1 LEU A 116 1.870 1.386 -8.438 1.00 0.00 C ATOM 1793 CD2 LEU A 116 0.485 2.904 -9.865 1.00 0.00 C ATOM 0 H LEU A 116 1.858 5.703 -5.789 1.00 0.00 H new ATOM 0 HA LEU A 116 2.358 2.796 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.289 3.171 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.888 4.636 -7.885 1.00 0.00 H new ATOM 0 HG LEU A 116 2.484 3.273 -9.220 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.154 0.833 -9.333 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.687 1.353 -7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.980 0.934 -7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.788 2.329 -10.740 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.440 2.491 -9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.324 3.943 -10.152 1.00 0.00 H new ATOM 1805 N LEU A 117 4.486 3.187 -7.187 1.00 0.00 N ATOM 1806 CA LEU A 117 5.804 3.430 -7.763 1.00 0.00 C ATOM 1807 C LEU A 117 6.214 2.288 -8.687 1.00 0.00 C ATOM 1808 O LEU A 117 6.502 1.181 -8.233 1.00 0.00 O ATOM 1809 CB LEU A 117 6.843 3.601 -6.652 1.00 0.00 C ATOM 1810 CG LEU A 117 8.186 4.194 -7.076 1.00 0.00 C ATOM 1811 CD1 LEU A 117 8.007 5.131 -8.261 1.00 0.00 C ATOM 1812 CD2 LEU A 117 8.839 4.924 -5.911 1.00 0.00 C ATOM 0 H LEU A 117 4.335 2.229 -6.870 1.00 0.00 H new ATOM 0 HA LEU A 117 5.754 4.347 -8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.416 4.237 -5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.025 2.626 -6.199 1.00 0.00 H new ATOM 0 HG LEU A 117 8.841 3.378 -7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.974 5.543 -8.548 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.584 4.579 -9.100 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.334 5.943 -7.985 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.794 5.340 -6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.187 5.730 -5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.004 4.226 -5.091 1.00 0.00 H new ATOM 1824 N ASP A 118 6.241 2.567 -9.986 1.00 0.00 N ATOM 1825 CA ASP A 118 6.620 1.564 -10.975 1.00 0.00 C ATOM 1826 C ASP A 118 8.026 1.041 -10.707 1.00 0.00 C ATOM 1827 O ASP A 118 8.283 -0.160 -10.814 1.00 0.00 O ATOM 1828 CB ASP A 118 6.541 2.153 -12.384 1.00 0.00 C ATOM 1829 CG ASP A 118 7.047 1.192 -13.442 1.00 0.00 C ATOM 1830 OD1 ASP A 118 6.425 0.124 -13.621 1.00 0.00 O ATOM 1831 OD2 ASP A 118 8.066 1.509 -14.091 1.00 0.00 O ATOM 0 H ASP A 118 6.005 3.479 -10.378 1.00 0.00 H new ATOM 0 HA ASP A 118 5.922 0.731 -10.898 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.508 2.421 -12.605 1.00 0.00 H new ATOM 0 HB3 ASP A 118 7.125 3.073 -12.424 1.00 0.00 H new TER 1836 ASP A 118