USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 768 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 44 HIS : no HE2:sc= -0.84 K(o=-0.94,f=-3.2!) USER MOD Set 1.2: A 93 MET CE :methyl -155:sc= -0.0954 (180deg=-0.745) USER MOD Set 2.1: A 34 CYS SG : rot 160:sc= -0.241 USER MOD Set 2.2: A 69 MET CE :methyl -169:sc= 0 (180deg=-0.136) USER MOD Set 3.1: A 29 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Set 3.2: A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0.883 (180deg=0.615) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -153:sc= 0.948 (180deg=0.444) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -108:sc= -0.0713 USER MOD Single : A 23 SER OG : rot 180:sc= 0.125 USER MOD Single : A 28 GLN : amide:sc= 0.941 K(o=0.94,f=-0.5) USER MOD Single : A 32 SER OG : rot -89:sc= 0.429 USER MOD Single : A 35 THR OG1 : rot 72:sc= 0.439 USER MOD Single : A 37 HIS : no HE2:sc= 0.431 K(o=0.43,f=-2!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 61:sc= 1.24 USER MOD Single : A 53 GLN : amide:sc= 0.6 K(o=0.6,f=-0.7) USER MOD Single : A 54 SER OG : rot 61:sc= 0.324 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0187 USER MOD Single : A 68 LYS NZ :NH3+ 176:sc= 2.16 (180deg=2.06) USER MOD Single : A 72 LYS NZ :NH3+ 151:sc= 2.06 (180deg=1.39) USER MOD Single : A 73 LYS NZ :NH3+ -150:sc= 2.35 (180deg=0.957) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -152:sc= -0.472 (180deg=-1.02!) USER MOD Single : A 88 SER OG : rot -79:sc= 0.65 USER MOD Single : A 89 HIS : no HE2:sc= 1.04 K(o=1,f=-4.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.1) USER MOD Single : A 99 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 100 SER OG : rot 19:sc= 0.546 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.854 -0.704 -6.092 1.00 0.00 N ATOM 2 CA MET A 1 -21.487 0.402 -5.320 1.00 0.00 C ATOM 3 C MET A 1 -20.633 1.674 -5.357 1.00 0.00 C ATOM 4 O MET A 1 -19.452 1.617 -5.700 1.00 0.00 O ATOM 5 CB MET A 1 -21.814 -0.024 -3.872 1.00 0.00 C ATOM 6 CG MET A 1 -20.602 -0.047 -2.923 1.00 0.00 C ATOM 7 SD MET A 1 -20.902 -0.864 -1.330 1.00 0.00 S ATOM 8 CE MET A 1 -20.733 -2.600 -1.834 1.00 0.00 C ATOM 0 H1 MET A 1 -21.540 -1.475 -6.219 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.554 -0.350 -7.023 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.025 -1.059 -5.574 1.00 0.00 H new ATOM 0 HA MET A 1 -22.435 0.633 -5.806 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.563 0.656 -3.467 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.263 -1.017 -3.892 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.775 -0.550 -3.424 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.285 0.979 -2.736 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.888 -3.246 -0.970 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.475 -2.831 -2.598 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.734 -2.766 -2.237 1.00 0.00 H new ATOM 18 N MET A 2 -21.213 2.820 -4.981 1.00 0.00 N ATOM 19 CA MET A 2 -20.510 4.109 -4.886 1.00 0.00 C ATOM 20 C MET A 2 -20.939 4.933 -3.659 1.00 0.00 C ATOM 21 O MET A 2 -22.098 4.900 -3.236 1.00 0.00 O ATOM 22 CB MET A 2 -20.744 4.950 -6.156 1.00 0.00 C ATOM 23 CG MET A 2 -20.060 4.381 -7.403 1.00 0.00 C ATOM 24 SD MET A 2 -20.216 5.445 -8.864 1.00 0.00 S ATOM 25 CE MET A 2 -19.282 4.456 -10.063 1.00 0.00 C ATOM 0 H MET A 2 -22.200 2.881 -4.730 1.00 0.00 H new ATOM 0 HA MET A 2 -19.452 3.870 -4.780 1.00 0.00 H new ATOM 0 HB2 MET A 2 -21.816 5.023 -6.341 1.00 0.00 H new ATOM 0 HB3 MET A 2 -20.381 5.963 -5.983 1.00 0.00 H new ATOM 0 HG2 MET A 2 -19.003 4.225 -7.188 1.00 0.00 H new ATOM 0 HG3 MET A 2 -20.487 3.404 -7.628 1.00 0.00 H new ATOM 0 HE1 MET A 2 -19.275 4.965 -11.027 1.00 0.00 H new ATOM 0 HE2 MET A 2 -18.258 4.330 -9.711 1.00 0.00 H new ATOM 0 HE3 MET A 2 -19.751 3.478 -10.172 1.00 0.00 H new ATOM 35 N LEU A 3 -19.999 5.736 -3.152 1.00 0.00 N ATOM 36 CA LEU A 3 -20.171 6.778 -2.124 1.00 0.00 C ATOM 37 C LEU A 3 -19.639 8.152 -2.587 1.00 0.00 C ATOM 38 O LEU A 3 -19.847 9.173 -1.933 1.00 0.00 O ATOM 39 CB LEU A 3 -19.505 6.261 -0.826 1.00 0.00 C ATOM 40 CG LEU A 3 -19.637 7.134 0.440 1.00 0.00 C ATOM 41 CD1 LEU A 3 -21.094 7.386 0.836 1.00 0.00 C ATOM 42 CD2 LEU A 3 -18.944 6.440 1.615 1.00 0.00 C ATOM 0 H LEU A 3 -19.031 5.675 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 3 -21.229 6.958 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -19.922 5.279 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -18.443 6.118 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 3 -19.173 8.093 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -21.126 8.005 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -21.609 7.898 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -21.587 6.434 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -19.038 7.057 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -19.411 5.471 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -17.889 6.297 1.382 1.00 0.00 H new ATOM 54 N GLY A 4 -18.997 8.180 -3.755 1.00 0.00 N ATOM 55 CA GLY A 4 -18.537 9.374 -4.458 1.00 0.00 C ATOM 56 C GLY A 4 -17.451 9.020 -5.490 1.00 0.00 C ATOM 57 O GLY A 4 -17.236 7.832 -5.753 1.00 0.00 O ATOM 0 H GLY A 4 -18.773 7.324 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.378 9.853 -4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.142 10.094 -3.741 1.00 0.00 H new ATOM 61 N PRO A 5 -16.676 9.996 -6.000 1.00 0.00 N ATOM 62 CA PRO A 5 -15.405 9.762 -6.707 1.00 0.00 C ATOM 63 C PRO A 5 -14.273 9.338 -5.734 1.00 0.00 C ATOM 64 O PRO A 5 -13.103 9.689 -5.906 1.00 0.00 O ATOM 65 CB PRO A 5 -15.125 11.097 -7.408 1.00 0.00 C ATOM 66 CG PRO A 5 -15.657 12.120 -6.406 1.00 0.00 C ATOM 67 CD PRO A 5 -16.897 11.429 -5.833 1.00 0.00 C ATOM 0 HA PRO A 5 -15.459 8.936 -7.417 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.062 11.237 -7.603 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -15.637 11.166 -8.368 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -14.925 12.343 -5.630 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -15.908 13.065 -6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -17.033 11.682 -4.782 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.798 11.748 -6.357 1.00 0.00 H new ATOM 75 N GLU A 6 -14.624 8.648 -4.645 1.00 0.00 N ATOM 76 CA GLU A 6 -13.891 8.676 -3.377 1.00 0.00 C ATOM 77 C GLU A 6 -13.490 7.309 -2.783 1.00 0.00 C ATOM 78 O GLU A 6 -12.348 7.205 -2.336 1.00 0.00 O ATOM 79 CB GLU A 6 -14.658 9.544 -2.357 1.00 0.00 C ATOM 80 CG GLU A 6 -14.145 10.993 -2.331 1.00 0.00 C ATOM 81 CD GLU A 6 -12.797 11.094 -1.591 1.00 0.00 C ATOM 82 OE1 GLU A 6 -11.736 10.818 -2.203 1.00 0.00 O ATOM 83 OE2 GLU A 6 -12.798 11.384 -0.372 1.00 0.00 O ATOM 0 H GLU A 6 -15.444 8.041 -4.620 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.926 9.124 -3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.720 9.540 -2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.560 9.107 -1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.031 11.360 -3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.880 11.633 -1.843 1.00 0.00 H new ATOM 90 N GLY A 7 -14.294 6.238 -2.790 1.00 0.00 N ATOM 91 CA GLY A 7 -15.648 6.117 -3.343 1.00 0.00 C ATOM 92 C GLY A 7 -16.443 4.859 -2.957 1.00 0.00 C ATOM 93 O GLY A 7 -17.438 4.575 -3.619 1.00 0.00 O ATOM 0 H GLY A 7 -13.987 5.359 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.221 6.990 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.576 6.153 -4.430 1.00 0.00 H new ATOM 97 N GLY A 8 -16.066 4.107 -1.918 1.00 0.00 N ATOM 98 CA GLY A 8 -16.915 3.076 -1.290 1.00 0.00 C ATOM 99 C GLY A 8 -16.899 1.665 -1.903 1.00 0.00 C ATOM 100 O GLY A 8 -17.435 0.738 -1.296 1.00 0.00 O ATOM 0 H GLY A 8 -15.149 4.195 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -16.620 2.990 -0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -17.944 3.436 -1.303 1.00 0.00 H new ATOM 104 N GLU A 9 -16.261 1.450 -3.058 1.00 0.00 N ATOM 105 CA GLU A 9 -16.112 0.136 -3.739 1.00 0.00 C ATOM 106 C GLU A 9 -14.984 -0.732 -3.146 1.00 0.00 C ATOM 107 O GLU A 9 -14.284 -1.481 -3.827 1.00 0.00 O ATOM 108 CB GLU A 9 -15.897 0.415 -5.230 1.00 0.00 C ATOM 109 CG GLU A 9 -16.128 -0.737 -6.228 1.00 0.00 C ATOM 110 CD GLU A 9 -17.606 -1.133 -6.384 1.00 0.00 C ATOM 111 OE1 GLU A 9 -18.234 -1.607 -5.407 1.00 0.00 O ATOM 112 OE2 GLU A 9 -18.163 -0.992 -7.499 1.00 0.00 O ATOM 0 H GLU A 9 -15.813 2.208 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.016 -0.453 -3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -16.554 1.237 -5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.873 0.767 -5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.734 -0.447 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.560 -1.608 -5.901 1.00 0.00 H new ATOM 119 N GLY A 10 -14.769 -0.550 -1.854 1.00 0.00 N ATOM 120 CA GLY A 10 -13.709 -1.135 -1.038 1.00 0.00 C ATOM 121 C GLY A 10 -12.920 -0.051 -0.298 1.00 0.00 C ATOM 122 O GLY A 10 -13.218 1.140 -0.436 1.00 0.00 O ATOM 0 H GLY A 10 -15.376 0.057 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.142 -1.830 -0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.035 -1.711 -1.671 1.00 0.00 H new ATOM 126 N PHE A 11 -11.864 -0.443 0.416 1.00 0.00 N ATOM 127 CA PHE A 11 -10.835 0.472 0.933 1.00 0.00 C ATOM 128 C PHE A 11 -9.471 0.125 0.361 1.00 0.00 C ATOM 129 O PHE A 11 -8.450 0.181 1.044 1.00 0.00 O ATOM 130 CB PHE A 11 -10.810 0.512 2.466 1.00 0.00 C ATOM 131 CG PHE A 11 -12.149 0.789 3.106 1.00 0.00 C ATOM 132 CD1 PHE A 11 -12.918 1.853 2.610 1.00 0.00 C ATOM 133 CD2 PHE A 11 -12.616 0.035 4.197 1.00 0.00 C ATOM 134 CE1 PHE A 11 -14.136 2.186 3.216 1.00 0.00 C ATOM 135 CE2 PHE A 11 -13.845 0.362 4.800 1.00 0.00 C ATOM 136 CZ PHE A 11 -14.603 1.444 4.315 1.00 0.00 C ATOM 0 H PHE A 11 -11.693 -1.419 0.657 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.097 1.477 0.602 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.435 -0.442 2.836 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.103 1.278 2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.569 2.417 1.758 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.033 -0.793 4.572 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.717 3.014 2.838 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.207 -0.218 5.636 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.540 1.703 4.785 1.00 0.00 H new ATOM 146 N VAL A 12 -9.441 -0.283 -0.902 1.00 0.00 N ATOM 147 CA VAL A 12 -8.178 -0.697 -1.504 1.00 0.00 C ATOM 148 C VAL A 12 -7.322 0.514 -1.837 1.00 0.00 C ATOM 149 O VAL A 12 -7.783 1.498 -2.423 1.00 0.00 O ATOM 150 CB VAL A 12 -8.322 -1.606 -2.731 1.00 0.00 C ATOM 151 CG1 VAL A 12 -6.951 -2.163 -3.149 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.213 -2.803 -2.425 1.00 0.00 C ATOM 0 H VAL A 12 -10.253 -0.336 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.683 -1.306 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.758 -1.001 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.070 -2.806 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.283 -1.338 -3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.527 -2.740 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.297 -3.430 -3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.777 -3.383 -1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.203 -2.454 -2.132 1.00 0.00 H new ATOM 162 N VAL A 13 -6.031 0.359 -1.576 1.00 0.00 N ATOM 163 CA VAL A 13 -4.996 1.048 -2.326 1.00 0.00 C ATOM 164 C VAL A 13 -4.053 0.057 -2.985 1.00 0.00 C ATOM 165 O VAL A 13 -3.601 -0.906 -2.374 1.00 0.00 O ATOM 166 CB VAL A 13 -4.204 2.026 -1.446 1.00 0.00 C ATOM 167 CG1 VAL A 13 -5.101 3.129 -0.876 1.00 0.00 C ATOM 168 CG2 VAL A 13 -3.415 1.364 -0.307 1.00 0.00 C ATOM 0 H VAL A 13 -5.674 -0.248 -0.838 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.497 1.628 -3.101 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.469 2.461 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.504 3.801 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.551 3.691 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.887 2.681 -0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.887 2.129 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.103 0.832 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.695 0.660 -0.724 1.00 0.00 H new ATOM 178 N LYS A 14 -3.752 0.289 -4.254 1.00 0.00 N ATOM 179 CA LYS A 14 -2.648 -0.358 -4.952 1.00 0.00 C ATOM 180 C LYS A 14 -1.352 0.220 -4.411 1.00 0.00 C ATOM 181 O LYS A 14 -1.267 1.409 -4.113 1.00 0.00 O ATOM 182 CB LYS A 14 -2.800 -0.066 -6.440 1.00 0.00 C ATOM 183 CG LYS A 14 -1.535 -0.247 -7.295 1.00 0.00 C ATOM 184 CD LYS A 14 -1.814 -0.189 -8.803 1.00 0.00 C ATOM 185 CE LYS A 14 -0.616 -0.813 -9.531 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.898 -1.116 -10.957 1.00 0.00 N ATOM 0 H LYS A 14 -4.275 0.942 -4.838 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.644 -1.438 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.580 -0.714 -6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.148 0.960 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.814 0.528 -7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.074 -1.205 -7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.729 -0.730 -9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.960 0.842 -9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.233 -0.133 -9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.326 -1.731 -9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.295 -1.903 -11.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.898 -1.382 -11.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.699 -0.276 -11.536 1.00 0.00 H new ATOM 200 N LEU A 15 -0.332 -0.613 -4.360 1.00 0.00 N ATOM 201 CA LEU A 15 1.006 -0.327 -3.901 1.00 0.00 C ATOM 202 C LEU A 15 1.968 -0.759 -4.993 1.00 0.00 C ATOM 203 O LEU A 15 1.920 -1.884 -5.476 1.00 0.00 O ATOM 204 CB LEU A 15 1.153 -1.020 -2.535 1.00 0.00 C ATOM 205 CG LEU A 15 0.672 -0.025 -1.479 1.00 0.00 C ATOM 206 CD1 LEU A 15 -0.190 -0.677 -0.418 1.00 0.00 C ATOM 207 CD2 LEU A 15 1.825 0.747 -0.900 1.00 0.00 C ATOM 0 H LEU A 15 -0.428 -1.582 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 15 1.229 0.726 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.562 -1.935 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.190 -1.303 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 15 0.023 0.694 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.505 0.074 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.069 -1.121 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.382 -1.454 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.455 1.448 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.528 0.056 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.330 1.298 -1.694 1.00 0.00 H new ATOM 219 N ARG A 16 2.774 0.189 -5.457 1.00 0.00 N ATOM 220 CA ARG A 16 3.516 0.084 -6.715 1.00 0.00 C ATOM 221 C ARG A 16 4.873 0.762 -6.584 1.00 0.00 C ATOM 222 O ARG A 16 4.997 1.793 -5.942 1.00 0.00 O ATOM 223 CB ARG A 16 2.593 0.677 -7.796 1.00 0.00 C ATOM 224 CG ARG A 16 3.205 1.278 -9.061 1.00 0.00 C ATOM 225 CD ARG A 16 4.293 0.478 -9.785 1.00 0.00 C ATOM 226 NE ARG A 16 4.043 0.440 -11.234 1.00 0.00 N ATOM 227 CZ ARG A 16 4.122 1.449 -12.085 1.00 0.00 C ATOM 228 NH1 ARG A 16 4.537 2.641 -11.747 1.00 0.00 N ATOM 229 NH2 ARG A 16 3.753 1.271 -13.320 1.00 0.00 N ATOM 0 H ARG A 16 2.935 1.067 -4.964 1.00 0.00 H new ATOM 0 HA ARG A 16 3.760 -0.942 -6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.907 -0.111 -8.108 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.993 1.454 -7.323 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.397 1.459 -9.769 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.623 2.250 -8.800 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.268 0.926 -9.592 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.325 -0.538 -9.391 1.00 0.00 H new ATOM 0 HE ARG A 16 3.780 -0.464 -11.626 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.820 2.829 -10.785 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.578 3.384 -12.445 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.407 0.360 -13.623 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.809 2.042 -13.985 1.00 0.00 H new ATOM 243 N GLY A 17 5.905 0.145 -7.139 1.00 0.00 N ATOM 244 CA GLY A 17 7.293 0.597 -7.005 1.00 0.00 C ATOM 245 C GLY A 17 8.131 -0.295 -6.085 1.00 0.00 C ATOM 246 O GLY A 17 9.350 -0.383 -6.243 1.00 0.00 O ATOM 0 H GLY A 17 5.806 -0.698 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.756 0.627 -7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.301 1.616 -6.618 1.00 0.00 H new ATOM 250 N LEU A 18 7.438 -0.931 -5.139 1.00 0.00 N ATOM 251 CA LEU A 18 7.880 -1.822 -4.067 1.00 0.00 C ATOM 252 C LEU A 18 9.081 -2.733 -4.414 1.00 0.00 C ATOM 253 O LEU A 18 9.282 -3.089 -5.578 1.00 0.00 O ATOM 254 CB LEU A 18 6.686 -2.681 -3.583 1.00 0.00 C ATOM 255 CG LEU A 18 5.244 -2.158 -3.783 1.00 0.00 C ATOM 256 CD1 LEU A 18 4.289 -3.256 -3.353 1.00 0.00 C ATOM 257 CD2 LEU A 18 4.892 -0.900 -2.982 1.00 0.00 C ATOM 0 H LEU A 18 6.425 -0.818 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 18 8.244 -1.166 -3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.755 -3.648 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.824 -2.861 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 18 5.162 -1.887 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.262 -2.916 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.457 -4.144 -3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.461 -3.498 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.861 -0.613 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.004 -1.104 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.560 -0.088 -3.268 1.00 0.00 H new ATOM 269 N PRO A 19 9.866 -3.174 -3.415 1.00 0.00 N ATOM 270 CA PRO A 19 10.919 -4.168 -3.631 1.00 0.00 C ATOM 271 C PRO A 19 10.361 -5.479 -4.214 1.00 0.00 C ATOM 272 O PRO A 19 9.235 -5.880 -3.913 1.00 0.00 O ATOM 273 CB PRO A 19 11.549 -4.403 -2.249 1.00 0.00 C ATOM 274 CG PRO A 19 11.130 -3.181 -1.428 1.00 0.00 C ATOM 275 CD PRO A 19 9.768 -2.831 -2.004 1.00 0.00 C ATOM 0 HA PRO A 19 11.650 -3.814 -4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.187 -5.327 -1.799 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.634 -4.484 -2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.071 -3.411 -0.364 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.838 -2.359 -1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.974 -3.394 -1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.540 -1.774 -1.868 1.00 0.00 H new ATOM 283 N TRP A 20 11.179 -6.213 -4.970 1.00 0.00 N ATOM 284 CA TRP A 20 10.833 -7.528 -5.547 1.00 0.00 C ATOM 285 C TRP A 20 10.845 -8.681 -4.509 1.00 0.00 C ATOM 286 O TRP A 20 10.892 -9.861 -4.862 1.00 0.00 O ATOM 287 CB TRP A 20 11.743 -7.788 -6.762 1.00 0.00 C ATOM 288 CG TRP A 20 11.504 -6.891 -7.948 1.00 0.00 C ATOM 289 CD1 TRP A 20 11.782 -5.568 -8.021 1.00 0.00 C ATOM 290 CD2 TRP A 20 10.942 -7.241 -9.254 1.00 0.00 C ATOM 291 NE1 TRP A 20 11.408 -5.073 -9.255 1.00 0.00 N ATOM 292 CE2 TRP A 20 10.883 -6.060 -10.059 1.00 0.00 C ATOM 293 CE3 TRP A 20 10.482 -8.436 -9.849 1.00 0.00 C ATOM 294 CZ2 TRP A 20 10.385 -6.061 -11.370 1.00 0.00 C ATOM 295 CZ3 TRP A 20 9.991 -8.451 -11.169 1.00 0.00 C ATOM 296 CH2 TRP A 20 9.937 -7.269 -11.929 1.00 0.00 C ATOM 0 H TRP A 20 12.123 -5.909 -5.208 1.00 0.00 H new ATOM 0 HA TRP A 20 9.797 -7.501 -5.884 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.781 -7.679 -6.448 1.00 0.00 H new ATOM 0 HB3 TRP A 20 11.613 -8.823 -7.078 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.231 -4.985 -7.230 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.508 -4.098 -9.536 1.00 0.00 H new ATOM 0 HE3 TRP A 20 10.507 -9.355 -9.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 10.347 -5.146 -11.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 9.652 -9.380 -11.602 1.00 0.00 H new ATOM 0 HH2 TRP A 20 9.553 -7.290 -12.938 1.00 0.00 H new ATOM 307 N SER A 21 10.801 -8.335 -3.220 1.00 0.00 N ATOM 308 CA SER A 21 10.816 -9.220 -2.044 1.00 0.00 C ATOM 309 C SER A 21 9.910 -8.713 -0.895 1.00 0.00 C ATOM 310 O SER A 21 10.059 -9.128 0.257 1.00 0.00 O ATOM 311 CB SER A 21 12.270 -9.376 -1.565 1.00 0.00 C ATOM 312 OG SER A 21 12.842 -8.122 -1.207 1.00 0.00 O ATOM 0 H SER A 21 10.750 -7.354 -2.946 1.00 0.00 H new ATOM 0 HA SER A 21 10.408 -10.186 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.301 -10.049 -0.708 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.866 -9.836 -2.353 1.00 0.00 H new ATOM 0 HG SER A 21 13.765 -8.257 -0.906 1.00 0.00 H new ATOM 318 N CYS A 22 9.012 -7.761 -1.187 1.00 0.00 N ATOM 319 CA CYS A 22 8.197 -7.019 -0.215 1.00 0.00 C ATOM 320 C CYS A 22 7.273 -7.911 0.652 1.00 0.00 C ATOM 321 O CYS A 22 6.815 -8.973 0.221 1.00 0.00 O ATOM 322 CB CYS A 22 7.394 -5.977 -1.017 1.00 0.00 C ATOM 323 SG CYS A 22 6.764 -4.640 0.038 1.00 0.00 S ATOM 0 H CYS A 22 8.826 -7.475 -2.148 1.00 0.00 H new ATOM 0 HA CYS A 22 8.856 -6.546 0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.027 -5.555 -1.797 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.559 -6.469 -1.515 1.00 0.00 H new ATOM 0 HG CYS A 22 5.478 -4.767 0.178 1.00 0.00 H new ATOM 329 N SER A 23 6.925 -7.423 1.847 1.00 0.00 N ATOM 330 CA SER A 23 5.889 -7.973 2.740 1.00 0.00 C ATOM 331 C SER A 23 4.861 -6.916 3.098 1.00 0.00 C ATOM 332 O SER A 23 5.090 -5.717 2.975 1.00 0.00 O ATOM 333 CB SER A 23 6.473 -8.491 4.072 1.00 0.00 C ATOM 334 OG SER A 23 7.330 -7.543 4.682 1.00 0.00 O ATOM 0 H SER A 23 7.376 -6.597 2.240 1.00 0.00 H new ATOM 0 HA SER A 23 5.437 -8.796 2.187 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.658 -8.735 4.754 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.024 -9.414 3.891 1.00 0.00 H new ATOM 0 HG SER A 23 7.677 -7.909 5.522 1.00 0.00 H new ATOM 340 N VAL A 24 3.757 -7.351 3.690 1.00 0.00 N ATOM 341 CA VAL A 24 2.960 -6.578 4.608 1.00 0.00 C ATOM 342 C VAL A 24 3.744 -5.768 5.614 1.00 0.00 C ATOM 343 O VAL A 24 3.404 -4.638 5.915 1.00 0.00 O ATOM 344 CB VAL A 24 2.086 -7.522 5.436 1.00 0.00 C ATOM 345 CG1 VAL A 24 0.938 -6.677 5.938 1.00 0.00 C ATOM 346 CG2 VAL A 24 1.571 -8.708 4.635 1.00 0.00 C ATOM 0 H VAL A 24 3.386 -8.288 3.532 1.00 0.00 H new ATOM 0 HA VAL A 24 2.402 -5.890 3.973 1.00 0.00 H new ATOM 0 HB VAL A 24 2.667 -7.959 6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.270 -7.292 6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.326 -5.860 6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.389 -6.269 5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.958 -9.341 5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.971 -8.349 3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.415 -9.285 4.256 1.00 0.00 H new ATOM 356 N GLU A 25 4.778 -6.318 6.216 1.00 0.00 N ATOM 357 CA GLU A 25 5.340 -5.667 7.372 1.00 0.00 C ATOM 358 C GLU A 25 6.192 -4.486 6.922 1.00 0.00 C ATOM 359 O GLU A 25 6.236 -3.461 7.581 1.00 0.00 O ATOM 360 CB GLU A 25 6.123 -6.742 8.106 1.00 0.00 C ATOM 361 CG GLU A 25 5.211 -7.767 8.797 1.00 0.00 C ATOM 362 CD GLU A 25 4.078 -7.133 9.630 1.00 0.00 C ATOM 363 OE1 GLU A 25 4.346 -6.669 10.766 1.00 0.00 O ATOM 364 OE2 GLU A 25 2.919 -7.086 9.148 1.00 0.00 O ATOM 0 H GLU A 25 5.232 -7.187 5.933 1.00 0.00 H new ATOM 0 HA GLU A 25 4.592 -5.246 8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.774 -7.258 7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.767 -6.273 8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.772 -8.417 8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.817 -8.398 9.447 1.00 0.00 H new ATOM 371 N ASP A 26 6.721 -4.581 5.710 1.00 0.00 N ATOM 372 CA ASP A 26 7.183 -3.497 4.856 1.00 0.00 C ATOM 373 C ASP A 26 6.075 -2.477 4.533 1.00 0.00 C ATOM 374 O ASP A 26 6.215 -1.286 4.808 1.00 0.00 O ATOM 375 CB ASP A 26 7.596 -4.183 3.539 1.00 0.00 C ATOM 376 CG ASP A 26 9.053 -3.976 3.103 1.00 0.00 C ATOM 377 OD1 ASP A 26 9.620 -2.887 3.347 1.00 0.00 O ATOM 378 OD2 ASP A 26 9.638 -4.922 2.523 1.00 0.00 O ATOM 0 H ASP A 26 6.848 -5.490 5.264 1.00 0.00 H new ATOM 0 HA ASP A 26 7.983 -2.948 5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.415 -5.253 3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.944 -3.821 2.744 1.00 0.00 H new ATOM 383 N VAL A 27 4.958 -2.957 3.968 1.00 0.00 N ATOM 384 CA VAL A 27 3.804 -2.170 3.503 1.00 0.00 C ATOM 385 C VAL A 27 3.180 -1.365 4.652 1.00 0.00 C ATOM 386 O VAL A 27 2.635 -0.288 4.438 1.00 0.00 O ATOM 387 CB VAL A 27 2.791 -3.116 2.796 1.00 0.00 C ATOM 388 CG1 VAL A 27 1.558 -3.486 3.593 1.00 0.00 C ATOM 389 CG2 VAL A 27 2.281 -2.596 1.458 1.00 0.00 C ATOM 0 H VAL A 27 4.827 -3.957 3.814 1.00 0.00 H new ATOM 0 HA VAL A 27 4.132 -1.430 2.773 1.00 0.00 H new ATOM 0 HB VAL A 27 3.416 -4.000 2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.926 -4.148 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.856 -3.995 4.510 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.002 -2.583 3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.580 -3.314 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.777 -1.641 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.121 -2.460 0.776 1.00 0.00 H new ATOM 399 N GLN A 28 3.319 -1.856 5.887 1.00 0.00 N ATOM 400 CA GLN A 28 2.603 -1.382 7.074 1.00 0.00 C ATOM 401 C GLN A 28 3.486 -0.776 8.174 1.00 0.00 C ATOM 402 O GLN A 28 3.021 -0.065 9.060 1.00 0.00 O ATOM 403 CB GLN A 28 1.648 -2.482 7.536 1.00 0.00 C ATOM 404 CG GLN A 28 1.954 -3.533 8.600 1.00 0.00 C ATOM 405 CD GLN A 28 0.663 -4.178 9.118 1.00 0.00 C ATOM 406 OE1 GLN A 28 -0.325 -3.532 9.444 1.00 0.00 O ATOM 407 NE2 GLN A 28 0.587 -5.488 9.187 1.00 0.00 N ATOM 0 H GLN A 28 3.958 -2.624 6.095 1.00 0.00 H new ATOM 0 HA GLN A 28 2.013 -0.510 6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.747 -1.970 7.875 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.379 -3.038 6.638 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.606 -4.300 8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.493 -3.072 9.428 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.389 -6.060 8.924 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.274 -5.933 9.504 1.00 0.00 H new ATOM 416 N ASN A 29 4.786 -0.974 8.016 1.00 0.00 N ATOM 417 CA ASN A 29 5.852 -0.040 8.434 1.00 0.00 C ATOM 418 C ASN A 29 5.835 1.249 7.582 1.00 0.00 C ATOM 419 O ASN A 29 5.873 2.352 8.131 1.00 0.00 O ATOM 420 CB ASN A 29 7.236 -0.721 8.330 1.00 0.00 C ATOM 421 CG ASN A 29 8.378 0.017 9.015 1.00 0.00 C ATOM 422 OD1 ASN A 29 8.255 1.112 9.544 1.00 0.00 O ATOM 423 ND2 ASN A 29 9.544 -0.589 9.058 1.00 0.00 N ATOM 0 H ASN A 29 5.154 -1.818 7.578 1.00 0.00 H new ATOM 0 HA ASN A 29 5.665 0.235 9.472 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.163 -1.721 8.758 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.484 -0.842 7.276 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.332 -0.145 9.529 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.660 -1.503 8.621 1.00 0.00 H new ATOM 430 N PHE A 30 5.695 1.139 6.251 1.00 0.00 N ATOM 431 CA PHE A 30 5.493 2.281 5.360 1.00 0.00 C ATOM 432 C PHE A 30 4.241 3.067 5.726 1.00 0.00 C ATOM 433 O PHE A 30 4.234 4.297 5.664 1.00 0.00 O ATOM 434 CB PHE A 30 5.482 1.801 3.911 1.00 0.00 C ATOM 435 CG PHE A 30 5.229 2.910 2.929 1.00 0.00 C ATOM 436 CD1 PHE A 30 6.229 3.864 2.701 1.00 0.00 C ATOM 437 CD2 PHE A 30 4.000 3.008 2.262 1.00 0.00 C ATOM 438 CE1 PHE A 30 6.033 4.867 1.748 1.00 0.00 C ATOM 439 CE2 PHE A 30 3.778 4.055 1.349 1.00 0.00 C ATOM 440 CZ PHE A 30 4.807 4.974 1.068 1.00 0.00 C ATOM 0 H PHE A 30 5.720 0.243 5.763 1.00 0.00 H new ATOM 0 HA PHE A 30 6.323 2.977 5.480 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.438 1.331 3.682 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.715 1.036 3.793 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.151 3.824 3.262 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.224 2.280 2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.829 5.565 1.532 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.818 4.154 0.864 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.656 5.754 0.337 1.00 0.00 H new ATOM 450 N LEU A 31 3.224 2.347 6.202 1.00 0.00 N ATOM 451 CA LEU A 31 1.946 2.896 6.654 1.00 0.00 C ATOM 452 C LEU A 31 1.723 2.686 8.143 1.00 0.00 C ATOM 453 O LEU A 31 0.637 2.360 8.620 1.00 0.00 O ATOM 454 CB LEU A 31 0.857 2.382 5.753 1.00 0.00 C ATOM 455 CG LEU A 31 1.022 3.211 4.475 1.00 0.00 C ATOM 456 CD1 LEU A 31 0.605 2.323 3.369 1.00 0.00 C ATOM 457 CD2 LEU A 31 0.168 4.471 4.485 1.00 0.00 C ATOM 0 H LEU A 31 3.270 1.331 6.286 1.00 0.00 H new ATOM 0 HA LEU A 31 1.942 3.982 6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.970 1.316 5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.129 2.522 6.196 1.00 0.00 H new ATOM 0 HG LEU A 31 2.053 3.551 4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.698 2.854 2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.241 1.438 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.432 2.022 3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.322 5.022 3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.883 4.197 4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.453 5.097 5.331 1.00 0.00 H new ATOM 469 N SER A 32 2.797 2.947 8.867 1.00 0.00 N ATOM 470 CA SER A 32 2.803 3.195 10.311 1.00 0.00 C ATOM 471 C SER A 32 1.869 4.351 10.734 1.00 0.00 C ATOM 472 O SER A 32 1.494 4.468 11.899 1.00 0.00 O ATOM 473 CB SER A 32 4.249 3.416 10.784 1.00 0.00 C ATOM 474 OG SER A 32 4.925 4.405 10.020 1.00 0.00 O ATOM 0 H SER A 32 3.729 2.995 8.456 1.00 0.00 H new ATOM 0 HA SER A 32 2.397 2.312 10.805 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.244 3.712 11.833 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.796 2.476 10.721 1.00 0.00 H new ATOM 0 HG SER A 32 5.360 3.983 9.250 1.00 0.00 H new ATOM 480 N ASP A 33 1.418 5.155 9.767 1.00 0.00 N ATOM 481 CA ASP A 33 0.347 6.154 9.843 1.00 0.00 C ATOM 482 C ASP A 33 -1.066 5.557 10.019 1.00 0.00 C ATOM 483 O ASP A 33 -1.989 6.260 10.435 1.00 0.00 O ATOM 484 CB ASP A 33 0.296 6.916 8.502 1.00 0.00 C ATOM 485 CG ASP A 33 1.648 7.354 7.928 1.00 0.00 C ATOM 486 OD1 ASP A 33 2.443 6.476 7.523 1.00 0.00 O ATOM 487 OD2 ASP A 33 1.845 8.582 7.771 1.00 0.00 O ATOM 0 H ASP A 33 1.826 5.121 8.833 1.00 0.00 H new ATOM 0 HA ASP A 33 0.581 6.771 10.710 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.202 6.284 7.766 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.325 7.802 8.633 1.00 0.00 H new ATOM 492 N CYS A 34 -1.260 4.298 9.611 1.00 0.00 N ATOM 493 CA CYS A 34 -2.489 3.854 8.947 1.00 0.00 C ATOM 494 C CYS A 34 -3.040 2.526 9.491 1.00 0.00 C ATOM 495 O CYS A 34 -2.310 1.702 10.052 1.00 0.00 O ATOM 496 CB CYS A 34 -2.165 3.743 7.439 1.00 0.00 C ATOM 497 SG CYS A 34 -3.281 4.780 6.477 1.00 0.00 S ATOM 0 H CYS A 34 -0.568 3.558 9.732 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.279 4.579 9.140 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.133 4.045 7.259 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.255 2.706 7.117 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.757 5.016 5.311 1.00 0.00 H new ATOM 503 N THR A 35 -4.336 2.296 9.268 1.00 0.00 N ATOM 504 CA THR A 35 -5.060 1.076 9.656 1.00 0.00 C ATOM 505 C THR A 35 -5.399 0.256 8.426 1.00 0.00 C ATOM 506 O THR A 35 -6.006 0.749 7.477 1.00 0.00 O ATOM 507 CB THR A 35 -6.398 1.369 10.373 1.00 0.00 C ATOM 508 OG1 THR A 35 -6.342 2.541 11.159 1.00 0.00 O ATOM 509 CG2 THR A 35 -6.826 0.223 11.290 1.00 0.00 C ATOM 0 H THR A 35 -4.934 2.975 8.797 1.00 0.00 H new ATOM 0 HA THR A 35 -4.396 0.543 10.336 1.00 0.00 H new ATOM 0 HB THR A 35 -7.123 1.496 9.569 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.320 3.327 10.574 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.771 0.475 11.771 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.950 -0.687 10.702 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.063 0.062 12.051 1.00 0.00 H new ATOM 517 N ILE A 36 -5.074 -1.028 8.469 1.00 0.00 N ATOM 518 CA ILE A 36 -5.430 -2.014 7.446 1.00 0.00 C ATOM 519 C ILE A 36 -6.582 -2.856 8.012 1.00 0.00 C ATOM 520 O ILE A 36 -6.698 -3.021 9.229 1.00 0.00 O ATOM 521 CB ILE A 36 -4.202 -2.939 7.165 1.00 0.00 C ATOM 522 CG1 ILE A 36 -2.817 -2.256 7.209 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.341 -3.769 5.875 1.00 0.00 C ATOM 524 CD1 ILE A 36 -2.525 -1.203 6.139 1.00 0.00 C ATOM 0 H ILE A 36 -4.539 -1.430 9.239 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.721 -1.525 6.517 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.230 -3.613 8.021 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.702 -1.786 8.186 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.055 -3.032 7.137 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.453 -4.387 5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.221 -4.408 5.947 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.447 -3.100 5.021 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.521 -0.804 6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.594 -1.659 5.151 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.252 -0.394 6.217 1.00 0.00 H new ATOM 536 N HIS A 37 -7.427 -3.421 7.154 1.00 0.00 N ATOM 537 CA HIS A 37 -8.548 -4.291 7.555 1.00 0.00 C ATOM 538 C HIS A 37 -8.078 -5.721 7.917 1.00 0.00 C ATOM 539 O HIS A 37 -8.393 -6.700 7.241 1.00 0.00 O ATOM 540 CB HIS A 37 -9.631 -4.169 6.479 1.00 0.00 C ATOM 541 CG HIS A 37 -10.933 -4.887 6.641 1.00 0.00 C ATOM 542 ND1 HIS A 37 -11.116 -6.204 6.947 1.00 0.00 N ATOM 543 CD2 HIS A 37 -12.174 -4.317 6.514 1.00 0.00 C ATOM 544 CE1 HIS A 37 -12.431 -6.420 7.029 1.00 0.00 C ATOM 545 NE2 HIS A 37 -13.131 -5.303 6.769 1.00 0.00 N ATOM 0 H HIS A 37 -7.358 -3.291 6.145 1.00 0.00 H new ATOM 0 HA HIS A 37 -9.000 -3.969 8.493 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -9.858 -3.109 6.367 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -9.192 -4.503 5.539 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -10.382 -6.898 7.088 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.376 -3.287 6.261 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -12.876 -7.373 7.274 1.00 0.00 H new ATOM 553 N ASP A 38 -7.270 -5.789 8.984 1.00 0.00 N ATOM 554 CA ASP A 38 -6.654 -6.911 9.718 1.00 0.00 C ATOM 555 C ASP A 38 -5.170 -6.599 9.935 1.00 0.00 C ATOM 556 O ASP A 38 -4.637 -6.743 11.038 1.00 0.00 O ATOM 557 CB ASP A 38 -6.776 -8.274 9.020 1.00 0.00 C ATOM 558 CG ASP A 38 -5.930 -9.352 9.722 1.00 0.00 C ATOM 559 OD1 ASP A 38 -6.393 -9.923 10.740 1.00 0.00 O ATOM 560 OD2 ASP A 38 -4.802 -9.622 9.242 1.00 0.00 O ATOM 0 H ASP A 38 -6.987 -4.914 9.424 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.201 -7.000 10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.821 -8.583 9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.458 -8.181 7.982 1.00 0.00 H new ATOM 565 N GLY A 39 -4.521 -6.192 8.845 1.00 0.00 N ATOM 566 CA GLY A 39 -3.087 -6.344 8.657 1.00 0.00 C ATOM 567 C GLY A 39 -2.842 -7.217 7.430 1.00 0.00 C ATOM 568 O GLY A 39 -3.268 -6.872 6.328 1.00 0.00 O ATOM 0 H GLY A 39 -4.988 -5.741 8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.618 -5.369 8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.637 -6.798 9.540 1.00 0.00 H new ATOM 572 N ALA A 40 -2.197 -8.369 7.604 1.00 0.00 N ATOM 573 CA ALA A 40 -1.876 -9.275 6.503 1.00 0.00 C ATOM 574 C ALA A 40 -3.091 -9.855 5.749 1.00 0.00 C ATOM 575 O ALA A 40 -2.972 -10.137 4.557 1.00 0.00 O ATOM 576 CB ALA A 40 -0.968 -10.383 7.048 1.00 0.00 C ATOM 0 H ALA A 40 -1.881 -8.701 8.515 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.366 -8.686 5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.714 -11.074 6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.056 -9.941 7.449 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.488 -10.923 7.839 1.00 0.00 H new ATOM 582 N ALA A 41 -4.267 -9.972 6.379 1.00 0.00 N ATOM 583 CA ALA A 41 -5.508 -10.344 5.683 1.00 0.00 C ATOM 584 C ALA A 41 -6.180 -9.159 4.940 1.00 0.00 C ATOM 585 O ALA A 41 -7.276 -9.315 4.395 1.00 0.00 O ATOM 586 CB ALA A 41 -6.459 -11.053 6.657 1.00 0.00 C ATOM 0 H ALA A 41 -4.386 -9.813 7.379 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.245 -11.044 4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.376 -11.326 6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.980 -11.952 7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.697 -10.385 7.484 1.00 0.00 H new ATOM 592 N GLY A 42 -5.524 -7.990 4.887 1.00 0.00 N ATOM 593 CA GLY A 42 -5.942 -6.798 4.149 1.00 0.00 C ATOM 594 C GLY A 42 -4.824 -6.261 3.248 1.00 0.00 C ATOM 595 O GLY A 42 -4.834 -5.096 2.879 1.00 0.00 O ATOM 0 H GLY A 42 -4.645 -7.848 5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.815 -7.035 3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.244 -6.023 4.853 1.00 0.00 H new ATOM 599 N VAL A 43 -3.868 -7.103 2.858 1.00 0.00 N ATOM 600 CA VAL A 43 -2.893 -6.875 1.785 1.00 0.00 C ATOM 601 C VAL A 43 -2.763 -8.130 0.923 1.00 0.00 C ATOM 602 O VAL A 43 -3.051 -9.251 1.350 1.00 0.00 O ATOM 603 CB VAL A 43 -1.518 -6.471 2.315 1.00 0.00 C ATOM 604 CG1 VAL A 43 -1.019 -7.412 3.331 1.00 0.00 C ATOM 605 CG2 VAL A 43 -0.504 -6.171 1.204 1.00 0.00 C ATOM 0 H VAL A 43 -3.744 -8.012 3.304 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.267 -6.045 1.186 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.653 -5.518 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.039 -7.085 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.712 -7.441 4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.936 -8.408 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.451 -5.891 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.369 -7.058 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.872 -5.351 0.587 1.00 0.00 H new ATOM 615 N HIS A 44 -2.293 -7.921 -0.299 1.00 0.00 N ATOM 616 CA HIS A 44 -2.090 -8.921 -1.319 1.00 0.00 C ATOM 617 C HIS A 44 -0.920 -8.493 -2.202 1.00 0.00 C ATOM 618 O HIS A 44 -0.808 -7.318 -2.551 1.00 0.00 O ATOM 619 CB HIS A 44 -3.372 -9.009 -2.170 1.00 0.00 C ATOM 620 CG HIS A 44 -4.672 -8.712 -1.456 1.00 0.00 C ATOM 621 ND1 HIS A 44 -5.155 -7.446 -1.218 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.585 -9.595 -0.948 1.00 0.00 C ATOM 623 CE1 HIS A 44 -6.325 -7.555 -0.578 1.00 0.00 C ATOM 624 NE2 HIS A 44 -6.635 -8.851 -0.384 1.00 0.00 N ATOM 0 H HIS A 44 -2.029 -6.988 -0.617 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.872 -9.890 -0.871 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.275 -8.317 -3.007 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.435 -10.012 -2.592 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.699 -6.573 -1.484 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.512 -10.672 -0.976 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.935 -6.721 -0.262 1.00 0.00 H new ATOM 632 N PHE A 45 -0.068 -9.435 -2.592 1.00 0.00 N ATOM 633 CA PHE A 45 1.182 -9.158 -3.297 1.00 0.00 C ATOM 634 C PHE A 45 1.189 -9.853 -4.663 1.00 0.00 C ATOM 635 O PHE A 45 0.837 -11.030 -4.771 1.00 0.00 O ATOM 636 CB PHE A 45 2.351 -9.565 -2.391 1.00 0.00 C ATOM 637 CG PHE A 45 2.693 -8.495 -1.369 1.00 0.00 C ATOM 638 CD1 PHE A 45 3.537 -7.444 -1.778 1.00 0.00 C ATOM 639 CD2 PHE A 45 2.128 -8.462 -0.070 1.00 0.00 C ATOM 640 CE1 PHE A 45 3.780 -6.353 -0.931 1.00 0.00 C ATOM 641 CE2 PHE A 45 2.392 -7.378 0.768 1.00 0.00 C ATOM 642 CZ PHE A 45 3.199 -6.314 0.342 1.00 0.00 C ATOM 0 H PHE A 45 -0.227 -10.429 -2.425 1.00 0.00 H new ATOM 0 HA PHE A 45 1.286 -8.094 -3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.100 -10.491 -1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.228 -9.771 -3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.001 -7.479 -2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.497 -9.270 0.269 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.415 -5.544 -1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.968 -7.358 1.761 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.372 -5.469 0.992 1.00 0.00 H new ATOM 652 N ILE A 46 1.536 -9.104 -5.714 1.00 0.00 N ATOM 653 CA ILE A 46 1.397 -9.541 -7.113 1.00 0.00 C ATOM 654 C ILE A 46 2.638 -10.294 -7.562 1.00 0.00 C ATOM 655 O ILE A 46 3.749 -10.144 -7.048 1.00 0.00 O ATOM 656 CB ILE A 46 1.082 -8.338 -8.044 1.00 0.00 C ATOM 657 CG1 ILE A 46 -0.147 -7.536 -7.524 1.00 0.00 C ATOM 658 CG2 ILE A 46 0.952 -8.708 -9.544 1.00 0.00 C ATOM 659 CD1 ILE A 46 -1.369 -7.520 -8.440 1.00 0.00 C ATOM 0 H ILE A 46 1.926 -8.166 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 46 0.553 -10.227 -7.179 1.00 0.00 H new ATOM 0 HB ILE A 46 1.956 -7.689 -7.999 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.445 -7.949 -6.560 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.164 -6.506 -7.347 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.732 -7.811 -10.122 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.888 -9.144 -9.894 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.145 -9.429 -9.672 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.163 -6.933 -7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.100 -7.075 -9.398 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.718 -8.540 -8.599 1.00 0.00 H new ATOM 671 N TYR A 47 2.372 -11.150 -8.534 1.00 0.00 N ATOM 672 CA TYR A 47 3.167 -12.289 -8.909 1.00 0.00 C ATOM 673 C TYR A 47 3.255 -12.333 -10.436 1.00 0.00 C ATOM 674 O TYR A 47 2.237 -12.163 -11.115 1.00 0.00 O ATOM 675 CB TYR A 47 2.481 -13.518 -8.293 1.00 0.00 C ATOM 676 CG TYR A 47 3.238 -14.099 -7.119 1.00 0.00 C ATOM 677 CD1 TYR A 47 3.196 -13.431 -5.883 1.00 0.00 C ATOM 678 CD2 TYR A 47 3.993 -15.279 -7.258 1.00 0.00 C ATOM 679 CE1 TYR A 47 3.906 -13.933 -4.780 1.00 0.00 C ATOM 680 CE2 TYR A 47 4.721 -15.779 -6.159 1.00 0.00 C ATOM 681 CZ TYR A 47 4.681 -15.108 -4.917 1.00 0.00 C ATOM 682 OH TYR A 47 5.390 -15.596 -3.862 1.00 0.00 O ATOM 0 H TYR A 47 1.539 -11.054 -9.115 1.00 0.00 H new ATOM 0 HA TYR A 47 4.193 -12.249 -8.543 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.478 -13.241 -7.969 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.368 -14.285 -9.059 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.615 -12.527 -5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.015 -15.800 -8.204 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.860 -13.423 -3.829 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.311 -16.677 -6.267 1.00 0.00 H new ATOM 0 HH TYR A 47 5.863 -16.410 -4.134 1.00 0.00 H new ATOM 692 N THR A 48 4.457 -12.529 -10.980 1.00 0.00 N ATOM 693 CA THR A 48 4.851 -12.228 -12.374 1.00 0.00 C ATOM 694 C THR A 48 4.337 -13.190 -13.451 1.00 0.00 C ATOM 695 O THR A 48 4.889 -13.305 -14.549 1.00 0.00 O ATOM 696 CB THR A 48 6.386 -12.092 -12.479 1.00 0.00 C ATOM 697 OG1 THR A 48 7.051 -13.108 -11.770 1.00 0.00 O ATOM 698 CG2 THR A 48 6.886 -10.813 -11.829 1.00 0.00 C ATOM 0 H THR A 48 5.228 -12.922 -10.440 1.00 0.00 H new ATOM 0 HA THR A 48 4.352 -11.284 -12.592 1.00 0.00 H new ATOM 0 HB THR A 48 6.591 -12.125 -13.549 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.804 -13.981 -12.140 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.970 -10.756 -11.925 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.432 -9.953 -12.322 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.614 -10.811 -10.773 1.00 0.00 H new ATOM 706 N ARG A 49 3.226 -13.854 -13.138 1.00 0.00 N ATOM 707 CA ARG A 49 2.420 -14.745 -13.975 1.00 0.00 C ATOM 708 C ARG A 49 3.023 -16.147 -14.181 1.00 0.00 C ATOM 709 O ARG A 49 2.434 -16.961 -14.892 1.00 0.00 O ATOM 710 CB ARG A 49 1.959 -14.069 -15.291 1.00 0.00 C ATOM 711 CG ARG A 49 1.395 -12.633 -15.200 1.00 0.00 C ATOM 712 CD ARG A 49 0.027 -12.484 -14.509 1.00 0.00 C ATOM 713 NE ARG A 49 0.094 -12.707 -13.049 1.00 0.00 N ATOM 714 CZ ARG A 49 -0.535 -13.635 -12.348 1.00 0.00 C ATOM 715 NH1 ARG A 49 -1.380 -14.460 -12.884 1.00 0.00 N ATOM 716 NH2 ARG A 49 -0.286 -13.789 -11.085 1.00 0.00 N ATOM 0 H ARG A 49 2.828 -13.775 -12.202 1.00 0.00 H new ATOM 0 HA ARG A 49 1.515 -14.934 -13.397 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.807 -14.054 -15.976 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.195 -14.702 -15.744 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.117 -12.014 -14.668 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.314 -12.232 -16.210 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.365 -11.485 -14.702 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.676 -13.192 -14.948 1.00 0.00 H new ATOM 0 HE ARG A 49 0.694 -12.072 -12.522 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.581 -14.407 -13.883 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.844 -15.162 -12.307 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.400 -13.192 -10.624 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.776 -14.508 -10.552 1.00 0.00 H new ATOM 730 N GLU A 50 4.156 -16.455 -13.540 1.00 0.00 N ATOM 731 CA GLU A 50 4.851 -17.749 -13.635 1.00 0.00 C ATOM 732 C GLU A 50 5.286 -18.362 -12.279 1.00 0.00 C ATOM 733 O GLU A 50 5.197 -19.584 -12.131 1.00 0.00 O ATOM 734 CB GLU A 50 5.972 -17.665 -14.689 1.00 0.00 C ATOM 735 CG GLU A 50 7.364 -17.333 -14.159 1.00 0.00 C ATOM 736 CD GLU A 50 7.535 -15.887 -13.659 1.00 0.00 C ATOM 737 OE1 GLU A 50 6.713 -15.426 -12.832 1.00 0.00 O ATOM 738 OE2 GLU A 50 8.544 -15.235 -14.031 1.00 0.00 O ATOM 0 H GLU A 50 4.630 -15.795 -12.923 1.00 0.00 H new ATOM 0 HA GLU A 50 4.122 -18.481 -13.982 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.023 -18.619 -15.214 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.696 -16.910 -15.425 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.599 -18.015 -13.342 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.092 -17.518 -14.949 1.00 0.00 H new ATOM 745 N GLY A 51 5.707 -17.569 -11.277 1.00 0.00 N ATOM 746 CA GLY A 51 6.099 -18.111 -9.959 1.00 0.00 C ATOM 747 C GLY A 51 6.872 -17.232 -8.966 1.00 0.00 C ATOM 748 O GLY A 51 7.579 -17.787 -8.120 1.00 0.00 O ATOM 0 H GLY A 51 5.785 -16.555 -11.352 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.187 -18.439 -9.460 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.701 -19.001 -10.141 1.00 0.00 H new ATOM 752 N ARG A 52 6.784 -15.897 -9.042 1.00 0.00 N ATOM 753 CA ARG A 52 7.644 -14.969 -8.271 1.00 0.00 C ATOM 754 C ARG A 52 6.978 -13.618 -8.025 1.00 0.00 C ATOM 755 O ARG A 52 6.160 -13.199 -8.834 1.00 0.00 O ATOM 756 CB ARG A 52 8.902 -14.799 -9.130 1.00 0.00 C ATOM 757 CG ARG A 52 10.077 -14.037 -8.493 1.00 0.00 C ATOM 758 CD ARG A 52 11.289 -13.932 -9.441 1.00 0.00 C ATOM 759 NE ARG A 52 10.955 -13.236 -10.704 1.00 0.00 N ATOM 760 CZ ARG A 52 10.502 -13.792 -11.818 1.00 0.00 C ATOM 761 NH1 ARG A 52 10.486 -15.075 -12.024 1.00 0.00 N ATOM 762 NH2 ARG A 52 9.998 -13.085 -12.781 1.00 0.00 N ATOM 0 H ARG A 52 6.111 -15.421 -9.643 1.00 0.00 H new ATOM 0 HA ARG A 52 7.856 -15.368 -7.279 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.255 -15.790 -9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.620 -14.283 -10.048 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.749 -13.036 -8.214 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.379 -14.541 -7.575 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.096 -13.400 -8.938 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.659 -14.932 -9.667 1.00 0.00 H new ATOM 0 HE ARG A 52 11.087 -12.225 -10.718 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.835 -15.711 -11.307 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.125 -15.446 -12.903 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.942 -12.070 -12.693 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.658 -13.544 -13.626 1.00 0.00 H new ATOM 776 N GLN A 53 7.334 -12.921 -6.943 1.00 0.00 N ATOM 777 CA GLN A 53 6.851 -11.558 -6.675 1.00 0.00 C ATOM 778 C GLN A 53 7.296 -10.522 -7.732 1.00 0.00 C ATOM 779 O GLN A 53 8.299 -10.704 -8.427 1.00 0.00 O ATOM 780 CB GLN A 53 7.317 -11.080 -5.285 1.00 0.00 C ATOM 781 CG GLN A 53 6.470 -11.639 -4.135 1.00 0.00 C ATOM 782 CD GLN A 53 6.850 -11.000 -2.797 1.00 0.00 C ATOM 783 OE1 GLN A 53 8.008 -10.926 -2.414 1.00 0.00 O ATOM 784 NE2 GLN A 53 5.901 -10.495 -2.036 1.00 0.00 N ATOM 0 H GLN A 53 7.964 -13.282 -6.227 1.00 0.00 H new ATOM 0 HA GLN A 53 5.764 -11.621 -6.717 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.356 -11.373 -5.137 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.286 -9.991 -5.254 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.414 -11.459 -4.338 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.604 -12.719 -4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.927 -10.545 -2.335 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.140 -10.054 -1.148 1.00 0.00 H new ATOM 793 N SER A 54 6.602 -9.380 -7.763 1.00 0.00 N ATOM 794 CA SER A 54 7.008 -8.138 -8.439 1.00 0.00 C ATOM 795 C SER A 54 6.829 -6.926 -7.511 1.00 0.00 C ATOM 796 O SER A 54 6.250 -7.043 -6.429 1.00 0.00 O ATOM 797 CB SER A 54 6.185 -7.942 -9.721 1.00 0.00 C ATOM 798 OG SER A 54 6.812 -6.998 -10.574 1.00 0.00 O ATOM 0 H SER A 54 5.699 -9.289 -7.297 1.00 0.00 H new ATOM 0 HA SER A 54 8.063 -8.220 -8.699 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.077 -8.894 -10.240 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.181 -7.601 -9.467 1.00 0.00 H new ATOM 0 HG SER A 54 7.699 -7.327 -10.830 1.00 0.00 H new ATOM 804 N GLY A 55 7.280 -5.742 -7.939 1.00 0.00 N ATOM 805 CA GLY A 55 7.098 -4.465 -7.229 1.00 0.00 C ATOM 806 C GLY A 55 5.694 -3.865 -7.347 1.00 0.00 C ATOM 807 O GLY A 55 5.555 -2.647 -7.442 1.00 0.00 O ATOM 0 H GLY A 55 7.796 -5.639 -8.813 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.327 -4.615 -6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.820 -3.745 -7.613 1.00 0.00 H new ATOM 811 N GLU A 56 4.653 -4.700 -7.353 1.00 0.00 N ATOM 812 CA GLU A 56 3.247 -4.292 -7.278 1.00 0.00 C ATOM 813 C GLU A 56 2.468 -5.188 -6.298 1.00 0.00 C ATOM 814 O GLU A 56 2.791 -6.358 -6.079 1.00 0.00 O ATOM 815 CB GLU A 56 2.581 -4.254 -8.672 1.00 0.00 C ATOM 816 CG GLU A 56 2.899 -2.939 -9.414 1.00 0.00 C ATOM 817 CD GLU A 56 2.201 -2.764 -10.780 1.00 0.00 C ATOM 818 OE1 GLU A 56 1.027 -3.177 -10.951 1.00 0.00 O ATOM 819 OE2 GLU A 56 2.793 -2.096 -11.665 1.00 0.00 O ATOM 0 H GLU A 56 4.768 -5.712 -7.412 1.00 0.00 H new ATOM 0 HA GLU A 56 3.220 -3.273 -6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.927 -5.101 -9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.502 -4.360 -8.564 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.620 -2.103 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.977 -2.878 -9.565 1.00 0.00 H new ATOM 826 N ALA A 57 1.449 -4.602 -5.677 1.00 0.00 N ATOM 827 CA ALA A 57 0.642 -5.151 -4.592 1.00 0.00 C ATOM 828 C ALA A 57 -0.636 -4.306 -4.405 1.00 0.00 C ATOM 829 O ALA A 57 -0.802 -3.269 -5.047 1.00 0.00 O ATOM 830 CB ALA A 57 1.493 -5.115 -3.322 1.00 0.00 C ATOM 0 H ALA A 57 1.144 -3.664 -5.937 1.00 0.00 H new ATOM 0 HA ALA A 57 0.338 -6.173 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.919 -5.519 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.391 -5.714 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.776 -4.085 -3.103 1.00 0.00 H new ATOM 836 N PHE A 58 -1.536 -4.721 -3.515 1.00 0.00 N ATOM 837 CA PHE A 58 -2.828 -4.077 -3.236 1.00 0.00 C ATOM 838 C PHE A 58 -3.202 -4.316 -1.757 1.00 0.00 C ATOM 839 O PHE A 58 -3.048 -5.425 -1.254 1.00 0.00 O ATOM 840 CB PHE A 58 -3.888 -4.711 -4.150 1.00 0.00 C ATOM 841 CG PHE A 58 -3.830 -4.248 -5.601 1.00 0.00 C ATOM 842 CD1 PHE A 58 -2.906 -4.835 -6.487 1.00 0.00 C ATOM 843 CD2 PHE A 58 -4.643 -3.197 -6.069 1.00 0.00 C ATOM 844 CE1 PHE A 58 -2.737 -4.330 -7.788 1.00 0.00 C ATOM 845 CE2 PHE A 58 -4.568 -2.790 -7.411 1.00 0.00 C ATOM 846 CZ PHE A 58 -3.588 -3.323 -8.261 1.00 0.00 C ATOM 0 H PHE A 58 -1.382 -5.550 -2.942 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.771 -3.004 -3.421 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.772 -5.794 -4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.876 -4.486 -3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.321 -5.683 -6.163 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.326 -2.703 -5.394 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.953 -4.718 -8.421 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.269 -2.062 -7.791 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.490 -2.960 -9.273 1.00 0.00 H new ATOM 856 N VAL A 59 -3.742 -3.321 -1.060 1.00 0.00 N ATOM 857 CA VAL A 59 -4.029 -3.298 0.391 1.00 0.00 C ATOM 858 C VAL A 59 -5.469 -2.830 0.606 1.00 0.00 C ATOM 859 O VAL A 59 -5.758 -1.657 0.405 1.00 0.00 O ATOM 860 CB VAL A 59 -3.051 -2.348 1.122 1.00 0.00 C ATOM 861 CG1 VAL A 59 -3.437 -2.015 2.568 1.00 0.00 C ATOM 862 CG2 VAL A 59 -1.684 -3.013 1.263 1.00 0.00 C ATOM 0 H VAL A 59 -4.012 -2.448 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.901 -4.301 0.799 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.063 -1.445 0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.693 -1.344 2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.413 -1.531 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.479 -2.933 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.002 -2.337 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.785 -3.934 1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.288 -3.243 0.274 1.00 0.00 H new ATOM 872 N GLU A 60 -6.369 -3.720 1.028 1.00 0.00 N ATOM 873 CA GLU A 60 -7.648 -3.359 1.659 1.00 0.00 C ATOM 874 C GLU A 60 -7.402 -2.710 3.034 1.00 0.00 C ATOM 875 O GLU A 60 -7.184 -3.391 4.043 1.00 0.00 O ATOM 876 CB GLU A 60 -8.534 -4.608 1.848 1.00 0.00 C ATOM 877 CG GLU A 60 -9.266 -5.045 0.577 1.00 0.00 C ATOM 878 CD GLU A 60 -10.569 -4.250 0.317 1.00 0.00 C ATOM 879 OE1 GLU A 60 -10.658 -3.051 0.673 1.00 0.00 O ATOM 880 OE2 GLU A 60 -11.514 -4.840 -0.258 1.00 0.00 O ATOM 0 H GLU A 60 -6.232 -4.727 0.942 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.156 -2.651 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.913 -5.432 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.268 -4.406 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.599 -4.926 -0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.504 -6.106 0.650 1.00 0.00 H new ATOM 887 N LEU A 61 -7.418 -1.379 3.086 1.00 0.00 N ATOM 888 CA LEU A 61 -7.321 -0.645 4.349 1.00 0.00 C ATOM 889 C LEU A 61 -8.543 -0.846 5.256 1.00 0.00 C ATOM 890 O LEU A 61 -9.561 -1.416 4.871 1.00 0.00 O ATOM 891 CB LEU A 61 -7.039 0.845 4.148 1.00 0.00 C ATOM 892 CG LEU A 61 -5.649 1.120 3.566 1.00 0.00 C ATOM 893 CD1 LEU A 61 -5.727 1.740 2.201 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.648 1.784 4.494 1.00 0.00 C ATOM 0 H LEU A 61 -7.498 -0.782 2.262 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.461 -1.078 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.794 1.265 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.134 1.359 5.104 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.207 0.131 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.720 1.919 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.253 1.066 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.265 2.686 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.703 1.926 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.035 2.752 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.486 1.152 5.367 1.00 0.00 H new ATOM 906 N GLY A 62 -8.433 -0.354 6.486 1.00 0.00 N ATOM 907 CA GLY A 62 -9.415 -0.533 7.547 1.00 0.00 C ATOM 908 C GLY A 62 -10.424 0.621 7.706 1.00 0.00 C ATOM 909 O GLY A 62 -11.364 0.510 8.496 1.00 0.00 O ATOM 0 H GLY A 62 -7.629 0.200 6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.967 -1.454 7.358 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.887 -0.666 8.491 1.00 0.00 H new ATOM 913 N SER A 63 -10.303 1.662 6.875 1.00 0.00 N ATOM 914 CA SER A 63 -11.355 2.614 6.483 1.00 0.00 C ATOM 915 C SER A 63 -10.939 3.313 5.179 1.00 0.00 C ATOM 916 O SER A 63 -9.814 3.145 4.711 1.00 0.00 O ATOM 917 CB SER A 63 -11.578 3.659 7.584 1.00 0.00 C ATOM 918 OG SER A 63 -12.744 4.426 7.319 1.00 0.00 O ATOM 0 H SER A 63 -9.412 1.878 6.428 1.00 0.00 H new ATOM 0 HA SER A 63 -12.288 2.071 6.333 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.675 3.162 8.549 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.711 4.317 7.649 1.00 0.00 H new ATOM 0 HG SER A 63 -12.871 5.086 8.033 1.00 0.00 H new ATOM 924 N GLU A 64 -11.789 4.149 4.589 1.00 0.00 N ATOM 925 CA GLU A 64 -11.381 5.007 3.464 1.00 0.00 C ATOM 926 C GLU A 64 -10.595 6.235 3.930 1.00 0.00 C ATOM 927 O GLU A 64 -9.780 6.758 3.181 1.00 0.00 O ATOM 928 CB GLU A 64 -12.585 5.446 2.645 1.00 0.00 C ATOM 929 CG GLU A 64 -12.173 5.692 1.193 1.00 0.00 C ATOM 930 CD GLU A 64 -13.439 5.970 0.386 1.00 0.00 C ATOM 931 OE1 GLU A 64 -13.921 7.127 0.451 1.00 0.00 O ATOM 932 OE2 GLU A 64 -13.956 5.032 -0.266 1.00 0.00 O ATOM 0 H GLU A 64 -12.765 4.256 4.866 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.724 4.405 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.361 4.681 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -13.011 6.355 3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.487 6.536 1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.649 4.824 0.793 1.00 0.00 H new ATOM 939 N ASP A 65 -10.759 6.686 5.175 1.00 0.00 N ATOM 940 CA ASP A 65 -9.826 7.637 5.773 1.00 0.00 C ATOM 941 C ASP A 65 -8.419 7.015 5.890 1.00 0.00 C ATOM 942 O ASP A 65 -7.426 7.713 5.717 1.00 0.00 O ATOM 943 CB ASP A 65 -10.381 8.089 7.129 1.00 0.00 C ATOM 944 CG ASP A 65 -11.393 9.252 7.034 1.00 0.00 C ATOM 945 OD1 ASP A 65 -12.075 9.416 5.992 1.00 0.00 O ATOM 946 OD2 ASP A 65 -11.515 10.014 8.025 1.00 0.00 O ATOM 0 H ASP A 65 -11.527 6.408 5.786 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.723 8.516 5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.862 7.240 7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.551 8.393 7.767 1.00 0.00 H new ATOM 951 N ASP A 66 -8.316 5.693 6.067 1.00 0.00 N ATOM 952 CA ASP A 66 -7.072 4.939 5.862 1.00 0.00 C ATOM 953 C ASP A 66 -6.616 4.934 4.398 1.00 0.00 C ATOM 954 O ASP A 66 -5.434 5.169 4.156 1.00 0.00 O ATOM 955 CB ASP A 66 -7.141 3.583 6.557 1.00 0.00 C ATOM 956 CG ASP A 66 -7.310 3.780 8.068 1.00 0.00 C ATOM 957 OD1 ASP A 66 -6.319 4.179 8.726 1.00 0.00 O ATOM 958 OD2 ASP A 66 -8.419 3.540 8.596 1.00 0.00 O ATOM 0 H ASP A 66 -9.100 5.110 6.359 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.253 5.461 6.357 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.975 3.004 6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.233 3.014 6.355 1.00 0.00 H new ATOM 963 N VAL A 67 -7.507 4.821 3.405 1.00 0.00 N ATOM 964 CA VAL A 67 -7.117 4.987 1.998 1.00 0.00 C ATOM 965 C VAL A 67 -6.478 6.345 1.754 1.00 0.00 C ATOM 966 O VAL A 67 -5.335 6.421 1.324 1.00 0.00 O ATOM 967 CB VAL A 67 -8.270 4.697 1.007 1.00 0.00 C ATOM 968 CG1 VAL A 67 -9.033 3.409 1.288 1.00 0.00 C ATOM 969 CG2 VAL A 67 -8.970 5.809 0.212 1.00 0.00 C ATOM 0 H VAL A 67 -8.496 4.617 3.547 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.361 4.228 1.797 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.661 4.508 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.822 3.284 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.349 2.562 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.475 3.458 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.745 5.373 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.422 6.521 0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.241 6.323 -0.414 1.00 0.00 H new ATOM 979 N LYS A 68 -7.178 7.411 2.135 1.00 0.00 N ATOM 980 CA LYS A 68 -6.772 8.818 2.117 1.00 0.00 C ATOM 981 C LYS A 68 -5.429 9.079 2.822 1.00 0.00 C ATOM 982 O LYS A 68 -4.552 9.728 2.251 1.00 0.00 O ATOM 983 CB LYS A 68 -7.935 9.590 2.762 1.00 0.00 C ATOM 984 CG LYS A 68 -9.140 9.756 1.818 1.00 0.00 C ATOM 985 CD LYS A 68 -10.372 10.359 2.527 1.00 0.00 C ATOM 986 CE LYS A 68 -11.595 9.427 2.533 1.00 0.00 C ATOM 987 NZ LYS A 68 -12.127 9.195 1.166 1.00 0.00 N ATOM 0 H LYS A 68 -8.126 7.305 2.496 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.587 9.150 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.255 9.068 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.584 10.574 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.857 10.396 0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.405 8.785 1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.106 10.603 3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.641 11.295 2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.321 8.472 2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.377 9.860 3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.907 8.509 1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.476 10.092 0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.371 8.821 0.558 1.00 0.00 H new ATOM 1001 N MET A 69 -5.224 8.524 4.019 1.00 0.00 N ATOM 1002 CA MET A 69 -3.951 8.592 4.763 1.00 0.00 C ATOM 1003 C MET A 69 -2.794 7.822 4.123 1.00 0.00 C ATOM 1004 O MET A 69 -1.627 8.143 4.354 1.00 0.00 O ATOM 1005 CB MET A 69 -4.160 8.080 6.187 1.00 0.00 C ATOM 1006 CG MET A 69 -4.836 9.171 7.002 1.00 0.00 C ATOM 1007 SD MET A 69 -4.675 8.999 8.801 1.00 0.00 S ATOM 1008 CE MET A 69 -5.363 7.332 8.995 1.00 0.00 C ATOM 0 H MET A 69 -5.949 8.003 4.513 1.00 0.00 H new ATOM 0 HA MET A 69 -3.662 9.643 4.751 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.774 7.179 6.179 1.00 0.00 H new ATOM 0 HB3 MET A 69 -3.204 7.810 6.636 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.421 10.134 6.706 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.896 9.189 6.748 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.528 7.127 10.053 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.311 7.265 8.461 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.665 6.601 8.588 1.00 0.00 H new ATOM 1018 N ALA A 70 -3.125 6.837 3.307 1.00 0.00 N ATOM 1019 CA ALA A 70 -2.189 6.125 2.438 1.00 0.00 C ATOM 1020 C ALA A 70 -1.918 6.878 1.113 1.00 0.00 C ATOM 1021 O ALA A 70 -0.768 6.946 0.680 1.00 0.00 O ATOM 1022 CB ALA A 70 -2.691 4.680 2.253 1.00 0.00 C ATOM 0 H ALA A 70 -4.083 6.495 3.224 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.208 6.081 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.003 4.136 1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.745 4.186 3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.681 4.694 1.798 1.00 0.00 H new ATOM 1028 N LEU A 71 -2.915 7.545 0.512 1.00 0.00 N ATOM 1029 CA LEU A 71 -2.757 8.399 -0.676 1.00 0.00 C ATOM 1030 C LEU A 71 -1.858 9.617 -0.437 1.00 0.00 C ATOM 1031 O LEU A 71 -1.171 10.056 -1.356 1.00 0.00 O ATOM 1032 CB LEU A 71 -4.104 8.932 -1.199 1.00 0.00 C ATOM 1033 CG LEU A 71 -5.201 7.923 -1.554 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -6.264 8.613 -2.401 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.705 6.676 -2.281 1.00 0.00 C ATOM 0 H LEU A 71 -3.878 7.505 0.847 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.292 7.740 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.507 9.609 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.902 9.528 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.608 7.574 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.047 7.898 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.697 9.440 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.810 8.995 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.548 6.018 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.228 6.966 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.984 6.152 -1.654 1.00 0.00 H new ATOM 1047 N LYS A 72 -1.807 10.167 0.784 1.00 0.00 N ATOM 1048 CA LYS A 72 -0.847 11.236 1.109 1.00 0.00 C ATOM 1049 C LYS A 72 0.622 10.789 0.959 1.00 0.00 C ATOM 1050 O LYS A 72 1.507 11.631 0.799 1.00 0.00 O ATOM 1051 CB LYS A 72 -1.214 11.908 2.435 1.00 0.00 C ATOM 1052 CG LYS A 72 -0.494 11.216 3.572 1.00 0.00 C ATOM 1053 CD LYS A 72 -0.940 11.693 4.959 1.00 0.00 C ATOM 1054 CE LYS A 72 -0.009 11.141 6.044 1.00 0.00 C ATOM 1055 NZ LYS A 72 -0.252 9.704 6.323 1.00 0.00 N ATOM 0 H LYS A 72 -2.413 9.894 1.558 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.930 12.024 0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.941 12.963 2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.292 11.861 2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.659 10.141 3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.578 11.382 3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.940 12.782 4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.963 11.368 5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.027 11.278 5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.145 11.714 6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.631 9.259 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.977 9.612 7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.581 9.233 5.456 1.00 0.00 H new ATOM 1069 N LYS A 73 0.868 9.468 0.967 1.00 0.00 N ATOM 1070 CA LYS A 73 2.173 8.835 0.714 1.00 0.00 C ATOM 1071 C LYS A 73 2.410 8.432 -0.743 1.00 0.00 C ATOM 1072 O LYS A 73 3.409 7.769 -1.008 1.00 0.00 O ATOM 1073 CB LYS A 73 2.390 7.593 1.606 1.00 0.00 C ATOM 1074 CG LYS A 73 1.956 7.693 3.072 1.00 0.00 C ATOM 1075 CD LYS A 73 2.860 6.872 4.010 1.00 0.00 C ATOM 1076 CE LYS A 73 3.705 7.782 4.903 1.00 0.00 C ATOM 1077 NZ LYS A 73 4.879 7.056 5.434 1.00 0.00 N ATOM 0 H LYS A 73 0.134 8.785 1.157 1.00 0.00 H new ATOM 0 HA LYS A 73 2.895 9.614 0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.858 6.756 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.451 7.345 1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.970 8.738 3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.927 7.346 3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.246 6.218 4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.513 6.230 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.036 8.651 4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.098 8.154 5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.137 7.446 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.647 6.047 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.679 7.164 4.779 1.00 0.00 H new ATOM 1091 N ASP A 74 1.530 8.783 -1.682 1.00 0.00 N ATOM 1092 CA ASP A 74 1.478 8.185 -3.027 1.00 0.00 C ATOM 1093 C ASP A 74 2.716 8.244 -3.953 1.00 0.00 C ATOM 1094 O ASP A 74 2.619 7.783 -5.092 1.00 0.00 O ATOM 1095 CB ASP A 74 0.218 8.634 -3.793 1.00 0.00 C ATOM 1096 CG ASP A 74 0.265 10.069 -4.355 1.00 0.00 C ATOM 1097 OD1 ASP A 74 0.948 10.953 -3.785 1.00 0.00 O ATOM 1098 OD2 ASP A 74 -0.350 10.298 -5.428 1.00 0.00 O ATOM 0 H ASP A 74 0.821 9.501 -1.532 1.00 0.00 H new ATOM 0 HA ASP A 74 1.452 7.127 -2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.050 7.943 -4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.641 8.550 -3.127 1.00 0.00 H new ATOM 1103 N ARG A 75 3.865 8.757 -3.507 1.00 0.00 N ATOM 1104 CA ARG A 75 5.149 8.777 -4.210 1.00 0.00 C ATOM 1105 C ARG A 75 6.398 8.687 -3.313 1.00 0.00 C ATOM 1106 O ARG A 75 7.507 8.825 -3.830 1.00 0.00 O ATOM 1107 CB ARG A 75 5.181 10.087 -5.019 1.00 0.00 C ATOM 1108 CG ARG A 75 5.663 9.900 -6.455 1.00 0.00 C ATOM 1109 CD ARG A 75 4.560 9.464 -7.433 1.00 0.00 C ATOM 1110 NE ARG A 75 3.548 10.530 -7.603 1.00 0.00 N ATOM 1111 CZ ARG A 75 2.248 10.450 -7.378 1.00 0.00 C ATOM 1112 NH1 ARG A 75 1.627 9.335 -7.150 1.00 0.00 N ATOM 1113 NH2 ARG A 75 1.506 11.515 -7.329 1.00 0.00 N ATOM 0 H ARG A 75 3.927 9.197 -2.589 1.00 0.00 H new ATOM 0 HA ARG A 75 5.201 7.881 -4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.181 10.522 -5.033 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.832 10.801 -4.515 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.097 10.836 -6.807 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.459 9.156 -6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.002 9.220 -8.399 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.080 8.558 -7.064 1.00 0.00 H new ATOM 0 HE ARG A 75 3.894 11.431 -7.932 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.145 8.456 -7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.621 9.337 -6.983 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.925 12.435 -7.465 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.505 11.431 -7.154 1.00 0.00 H new ATOM 1127 N GLU A 76 6.257 8.496 -1.995 1.00 0.00 N ATOM 1128 CA GLU A 76 7.409 8.285 -1.099 1.00 0.00 C ATOM 1129 C GLU A 76 7.958 6.837 -1.181 1.00 0.00 C ATOM 1130 O GLU A 76 7.770 6.170 -2.198 1.00 0.00 O ATOM 1131 CB GLU A 76 7.163 8.860 0.311 1.00 0.00 C ATOM 1132 CG GLU A 76 5.930 8.385 1.062 1.00 0.00 C ATOM 1133 CD GLU A 76 6.066 8.665 2.569 1.00 0.00 C ATOM 1134 OE1 GLU A 76 5.693 9.778 3.011 1.00 0.00 O ATOM 1135 OE2 GLU A 76 6.533 7.772 3.319 1.00 0.00 O ATOM 0 H GLU A 76 5.354 8.483 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 76 8.246 8.881 -1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.036 8.634 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.106 9.945 0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.045 8.888 0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.787 7.317 0.897 1.00 0.00 H new ATOM 1142 N SER A 77 8.723 6.360 -0.193 1.00 0.00 N ATOM 1143 CA SER A 77 9.587 5.165 -0.306 1.00 0.00 C ATOM 1144 C SER A 77 9.725 4.323 0.980 1.00 0.00 C ATOM 1145 O SER A 77 9.544 4.815 2.096 1.00 0.00 O ATOM 1146 CB SER A 77 10.984 5.585 -0.792 1.00 0.00 C ATOM 1147 OG SER A 77 11.568 6.548 0.075 1.00 0.00 O ATOM 0 H SER A 77 8.764 6.797 0.728 1.00 0.00 H new ATOM 0 HA SER A 77 9.086 4.517 -1.025 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.629 4.708 -0.851 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.912 5.996 -1.799 1.00 0.00 H new ATOM 0 HG SER A 77 12.456 6.794 -0.260 1.00 0.00 H new ATOM 1153 N MET A 78 10.078 3.042 0.808 1.00 0.00 N ATOM 1154 CA MET A 78 10.404 2.053 1.852 1.00 0.00 C ATOM 1155 C MET A 78 11.308 0.954 1.263 1.00 0.00 C ATOM 1156 O MET A 78 11.185 0.616 0.087 1.00 0.00 O ATOM 1157 CB MET A 78 9.110 1.451 2.444 1.00 0.00 C ATOM 1158 CG MET A 78 9.365 0.424 3.547 1.00 0.00 C ATOM 1159 SD MET A 78 10.345 0.986 4.966 1.00 0.00 S ATOM 1160 CE MET A 78 10.584 -0.621 5.772 1.00 0.00 C ATOM 0 H MET A 78 10.149 2.639 -0.126 1.00 0.00 H new ATOM 0 HA MET A 78 10.943 2.547 2.660 1.00 0.00 H new ATOM 0 HB2 MET A 78 8.494 2.256 2.844 1.00 0.00 H new ATOM 0 HB3 MET A 78 8.539 0.979 1.644 1.00 0.00 H new ATOM 0 HG2 MET A 78 8.401 0.073 3.916 1.00 0.00 H new ATOM 0 HG3 MET A 78 9.869 -0.435 3.103 1.00 0.00 H new ATOM 0 HE1 MET A 78 11.173 -0.489 6.679 1.00 0.00 H new ATOM 0 HE2 MET A 78 9.614 -1.047 6.028 1.00 0.00 H new ATOM 0 HE3 MET A 78 11.109 -1.294 5.094 1.00 0.00 H new ATOM 1170 N GLY A 79 12.227 0.388 2.056 1.00 0.00 N ATOM 1171 CA GLY A 79 13.111 -0.707 1.619 1.00 0.00 C ATOM 1172 C GLY A 79 14.029 -0.349 0.437 1.00 0.00 C ATOM 1173 O GLY A 79 14.234 -1.176 -0.451 1.00 0.00 O ATOM 0 H GLY A 79 12.381 0.676 3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.728 -1.018 2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.498 -1.564 1.340 1.00 0.00 H new ATOM 1177 N HIS A 80 14.540 0.891 0.403 1.00 0.00 N ATOM 1178 CA HIS A 80 15.328 1.485 -0.697 1.00 0.00 C ATOM 1179 C HIS A 80 14.602 1.523 -2.065 1.00 0.00 C ATOM 1180 O HIS A 80 15.239 1.542 -3.123 1.00 0.00 O ATOM 1181 CB HIS A 80 16.726 0.838 -0.771 1.00 0.00 C ATOM 1182 CG HIS A 80 17.528 0.952 0.503 1.00 0.00 C ATOM 1183 ND1 HIS A 80 18.347 2.001 0.856 1.00 0.00 N ATOM 1184 CD2 HIS A 80 17.605 0.024 1.508 1.00 0.00 C ATOM 1185 CE1 HIS A 80 18.905 1.717 2.046 1.00 0.00 C ATOM 1186 NE2 HIS A 80 18.480 0.519 2.487 1.00 0.00 N ATOM 0 H HIS A 80 14.411 1.542 1.178 1.00 0.00 H new ATOM 0 HA HIS A 80 15.454 2.539 -0.450 1.00 0.00 H new ATOM 0 HB2 HIS A 80 16.613 -0.216 -1.023 1.00 0.00 H new ATOM 0 HB3 HIS A 80 17.286 1.302 -1.583 1.00 0.00 H new ATOM 0 HD2 HIS A 80 17.084 -0.922 1.541 1.00 0.00 H new ATOM 0 HE1 HIS A 80 19.596 2.359 2.573 1.00 0.00 H new ATOM 0 HE2 HIS A 80 18.742 0.061 3.360 1.00 0.00 H new ATOM 1194 N ARG A 81 13.262 1.531 -2.057 1.00 0.00 N ATOM 1195 CA ARG A 81 12.378 1.405 -3.229 1.00 0.00 C ATOM 1196 C ARG A 81 11.186 2.350 -3.128 1.00 0.00 C ATOM 1197 O ARG A 81 10.768 2.728 -2.034 1.00 0.00 O ATOM 1198 CB ARG A 81 11.888 -0.049 -3.270 1.00 0.00 C ATOM 1199 CG ARG A 81 12.940 -1.041 -3.785 1.00 0.00 C ATOM 1200 CD ARG A 81 13.356 -0.848 -5.245 1.00 0.00 C ATOM 1201 NE ARG A 81 12.239 -0.822 -6.211 1.00 0.00 N ATOM 1202 CZ ARG A 81 12.355 -0.668 -7.518 1.00 0.00 C ATOM 1203 NH1 ARG A 81 13.509 -0.544 -8.112 1.00 0.00 N ATOM 1204 NH2 ARG A 81 11.288 -0.628 -8.256 1.00 0.00 N ATOM 0 H ARG A 81 12.736 1.631 -1.189 1.00 0.00 H new ATOM 0 HA ARG A 81 12.922 1.668 -4.136 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.580 -0.348 -2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.005 -0.107 -3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.828 -0.963 -3.157 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.552 -2.053 -3.665 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.912 0.086 -5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.039 -1.651 -5.522 1.00 0.00 H new ATOM 0 HE ARG A 81 11.297 -0.932 -5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.369 -0.564 -7.564 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.552 -0.427 -9.124 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.367 -0.715 -7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.370 -0.509 -9.266 1.00 0.00 H new ATOM 1218 N TYR A 82 10.632 2.723 -4.277 1.00 0.00 N ATOM 1219 CA TYR A 82 9.487 3.644 -4.317 1.00 0.00 C ATOM 1220 C TYR A 82 8.179 2.933 -3.973 1.00 0.00 C ATOM 1221 O TYR A 82 7.941 1.786 -4.346 1.00 0.00 O ATOM 1222 CB TYR A 82 9.375 4.376 -5.662 1.00 0.00 C ATOM 1223 CG TYR A 82 10.422 5.460 -5.827 1.00 0.00 C ATOM 1224 CD1 TYR A 82 10.241 6.699 -5.179 1.00 0.00 C ATOM 1225 CD2 TYR A 82 11.581 5.231 -6.595 1.00 0.00 C ATOM 1226 CE1 TYR A 82 11.215 7.708 -5.298 1.00 0.00 C ATOM 1227 CE2 TYR A 82 12.558 6.239 -6.716 1.00 0.00 C ATOM 1228 CZ TYR A 82 12.378 7.482 -6.067 1.00 0.00 C ATOM 1229 OH TYR A 82 13.316 8.463 -6.173 1.00 0.00 O ATOM 0 H TYR A 82 10.951 2.407 -5.193 1.00 0.00 H new ATOM 0 HA TYR A 82 9.671 4.398 -3.552 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.474 3.655 -6.473 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.383 4.819 -5.749 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.353 6.874 -4.590 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.721 4.282 -7.091 1.00 0.00 H new ATOM 0 HE1 TYR A 82 11.073 8.656 -4.801 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.446 6.062 -7.305 1.00 0.00 H new ATOM 0 HH TYR A 82 14.055 8.150 -6.735 1.00 0.00 H new ATOM 1239 N ILE A 83 7.302 3.641 -3.275 1.00 0.00 N ATOM 1240 CA ILE A 83 6.017 3.134 -2.821 1.00 0.00 C ATOM 1241 C ILE A 83 4.943 4.129 -3.250 1.00 0.00 C ATOM 1242 O ILE A 83 4.423 4.935 -2.477 1.00 0.00 O ATOM 1243 CB ILE A 83 6.028 2.846 -1.312 1.00 0.00 C ATOM 1244 CG1 ILE A 83 7.263 2.100 -0.777 1.00 0.00 C ATOM 1245 CG2 ILE A 83 4.746 2.087 -0.955 1.00 0.00 C ATOM 1246 CD1 ILE A 83 7.469 0.665 -1.255 1.00 0.00 C ATOM 0 H ILE A 83 7.470 4.609 -3.002 1.00 0.00 H new ATOM 0 HA ILE A 83 5.796 2.171 -3.281 1.00 0.00 H new ATOM 0 HB ILE A 83 6.079 3.817 -0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.149 2.676 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.207 2.089 0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.735 1.873 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.879 2.696 -1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.710 1.151 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 83 8.373 0.257 -0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 83 6.612 0.058 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 83 7.569 0.654 -2.340 1.00 0.00 H new ATOM 1258 N GLU A 84 4.650 4.098 -4.545 1.00 0.00 N ATOM 1259 CA GLU A 84 3.446 4.701 -5.086 1.00 0.00 C ATOM 1260 C GLU A 84 2.213 4.058 -4.431 1.00 0.00 C ATOM 1261 O GLU A 84 2.156 2.836 -4.272 1.00 0.00 O ATOM 1262 CB GLU A 84 3.378 4.543 -6.617 1.00 0.00 C ATOM 1263 CG GLU A 84 4.562 5.172 -7.369 1.00 0.00 C ATOM 1264 CD GLU A 84 4.573 4.813 -8.871 1.00 0.00 C ATOM 1265 OE1 GLU A 84 3.818 5.442 -9.648 1.00 0.00 O ATOM 1266 OE2 GLU A 84 5.344 3.913 -9.294 1.00 0.00 O ATOM 0 H GLU A 84 5.243 3.653 -5.246 1.00 0.00 H new ATOM 0 HA GLU A 84 3.465 5.768 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.331 3.481 -6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.453 4.994 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.522 6.256 -7.259 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.495 4.839 -6.913 1.00 0.00 H new ATOM 1273 N VAL A 85 1.218 4.876 -4.082 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.039 4.425 -3.447 1.00 0.00 C ATOM 1275 C VAL A 85 -1.227 4.940 -4.232 1.00 0.00 C ATOM 1276 O VAL A 85 -1.623 6.100 -4.123 1.00 0.00 O ATOM 1277 CB VAL A 85 -0.198 4.788 -1.956 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -1.340 3.936 -1.384 1.00 0.00 C ATOM 1279 CG2 VAL A 85 1.064 4.524 -1.138 1.00 0.00 C ATOM 0 H VAL A 85 1.255 5.884 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 85 0.007 3.336 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.404 5.856 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.476 4.171 -0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.261 4.151 -1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.095 2.879 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.888 4.800 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.320 3.466 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.887 5.118 -1.536 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.788 4.066 -5.055 1.00 0.00 N ATOM 1290 CA PHE A 86 -2.941 4.392 -5.880 1.00 0.00 C ATOM 1291 C PHE A 86 -4.212 4.016 -5.139 1.00 0.00 C ATOM 1292 O PHE A 86 -4.278 2.994 -4.473 1.00 0.00 O ATOM 1293 CB PHE A 86 -2.812 3.587 -7.167 1.00 0.00 C ATOM 1294 CG PHE A 86 -1.809 4.116 -8.172 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -0.457 3.723 -8.085 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -2.216 5.006 -9.182 1.00 0.00 C ATOM 1297 CE1 PHE A 86 0.486 4.236 -8.993 1.00 0.00 C ATOM 1298 CE2 PHE A 86 -1.273 5.506 -10.099 1.00 0.00 C ATOM 1299 CZ PHE A 86 0.077 5.124 -10.002 1.00 0.00 C ATOM 0 H PHE A 86 -1.455 3.109 -5.169 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.984 5.458 -6.104 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.536 2.565 -6.909 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.790 3.542 -7.646 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.146 3.027 -7.320 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.251 5.305 -9.254 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.524 3.948 -8.915 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.587 6.184 -10.879 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.800 5.514 -10.704 1.00 0.00 H new ATOM 1309 N LYS A 87 -5.245 4.823 -5.305 1.00 0.00 N ATOM 1310 CA LYS A 87 -6.617 4.497 -4.933 1.00 0.00 C ATOM 1311 C LYS A 87 -7.127 3.431 -5.900 1.00 0.00 C ATOM 1312 O LYS A 87 -6.921 3.542 -7.111 1.00 0.00 O ATOM 1313 CB LYS A 87 -7.452 5.777 -4.999 1.00 0.00 C ATOM 1314 CG LYS A 87 -8.903 5.502 -4.608 1.00 0.00 C ATOM 1315 CD LYS A 87 -9.804 6.714 -4.836 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.385 7.916 -3.984 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.473 8.915 -3.907 1.00 0.00 N ATOM 0 H LYS A 87 -5.153 5.753 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.683 4.103 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.028 6.528 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.415 6.189 -6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.279 4.658 -5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.946 5.213 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.777 6.991 -5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.835 6.447 -4.603 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.122 7.581 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.494 8.376 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.066 9.862 -3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.020 8.901 -4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.099 8.685 -3.109 1.00 0.00 H new ATOM 1331 N SER A 88 -7.793 2.419 -5.358 1.00 0.00 N ATOM 1332 CA SER A 88 -8.104 1.188 -6.066 1.00 0.00 C ATOM 1333 C SER A 88 -9.427 0.616 -5.561 1.00 0.00 C ATOM 1334 O SER A 88 -9.960 1.063 -4.541 1.00 0.00 O ATOM 1335 CB SER A 88 -6.929 0.226 -5.860 1.00 0.00 C ATOM 1336 OG SER A 88 -5.930 0.494 -6.818 1.00 0.00 O ATOM 0 H SER A 88 -8.137 2.433 -4.398 1.00 0.00 H new ATOM 0 HA SER A 88 -8.232 1.362 -7.134 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.524 0.340 -4.855 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.269 -0.806 -5.952 1.00 0.00 H new ATOM 0 HG SER A 88 -6.185 0.097 -7.677 1.00 0.00 H new ATOM 1342 N HIS A 89 -9.967 -0.374 -6.268 1.00 0.00 N ATOM 1343 CA HIS A 89 -11.292 -0.924 -5.980 1.00 0.00 C ATOM 1344 C HIS A 89 -11.207 -2.435 -5.709 1.00 0.00 C ATOM 1345 O HIS A 89 -10.299 -3.113 -6.196 1.00 0.00 O ATOM 1346 CB HIS A 89 -12.262 -0.595 -7.139 1.00 0.00 C ATOM 1347 CG HIS A 89 -12.167 0.818 -7.690 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -11.191 1.293 -8.540 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -13.030 1.862 -7.475 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -11.444 2.583 -8.814 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -12.564 2.978 -8.185 1.00 0.00 N ATOM 0 H HIS A 89 -9.499 -0.819 -7.058 1.00 0.00 H new ATOM 0 HA HIS A 89 -11.684 -0.461 -5.075 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.079 -1.297 -7.953 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -13.282 -0.764 -6.795 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -10.405 0.753 -8.902 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -13.919 1.830 -6.862 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -10.836 3.212 -9.448 1.00 0.00 H new ATOM 1359 N ARG A 90 -12.156 -2.993 -4.949 1.00 0.00 N ATOM 1360 CA ARG A 90 -12.198 -4.426 -4.597 1.00 0.00 C ATOM 1361 C ARG A 90 -12.299 -5.323 -5.833 1.00 0.00 C ATOM 1362 O ARG A 90 -11.566 -6.297 -5.950 1.00 0.00 O ATOM 1363 CB ARG A 90 -13.369 -4.655 -3.625 1.00 0.00 C ATOM 1364 CG ARG A 90 -13.433 -6.083 -3.046 1.00 0.00 C ATOM 1365 CD ARG A 90 -14.799 -6.749 -3.268 1.00 0.00 C ATOM 1366 NE ARG A 90 -15.035 -7.096 -4.686 1.00 0.00 N ATOM 1367 CZ ARG A 90 -14.688 -8.218 -5.293 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -14.024 -9.171 -4.711 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -14.997 -8.429 -6.536 1.00 0.00 N ATOM 0 H ARG A 90 -12.929 -2.459 -4.553 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.262 -4.702 -4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.290 -3.944 -2.803 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -14.304 -4.441 -4.142 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.656 -6.693 -3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.219 -6.048 -1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -14.863 -7.652 -2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.587 -6.078 -2.925 1.00 0.00 H new ATOM 0 HE ARG A 90 -15.515 -6.398 -5.254 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.743 -9.075 -3.735 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.784 -10.016 -5.230 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.515 -7.724 -7.060 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.721 -9.300 -6.989 1.00 0.00 H new ATOM 1383 N THR A 91 -13.164 -4.971 -6.781 1.00 0.00 N ATOM 1384 CA THR A 91 -13.365 -5.712 -8.041 1.00 0.00 C ATOM 1385 C THR A 91 -12.174 -5.602 -8.994 1.00 0.00 C ATOM 1386 O THR A 91 -11.804 -6.583 -9.637 1.00 0.00 O ATOM 1387 CB THR A 91 -14.638 -5.201 -8.720 1.00 0.00 C ATOM 1388 OG1 THR A 91 -15.712 -5.406 -7.818 1.00 0.00 O ATOM 1389 CG2 THR A 91 -14.995 -5.918 -10.018 1.00 0.00 C ATOM 0 H THR A 91 -13.761 -4.148 -6.701 1.00 0.00 H new ATOM 0 HA THR A 91 -13.462 -6.769 -7.793 1.00 0.00 H new ATOM 0 HB THR A 91 -14.462 -4.155 -8.972 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.545 -5.087 -8.223 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.910 -5.491 -10.430 1.00 0.00 H new ATOM 0 HG22 THR A 91 -14.183 -5.797 -10.736 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.147 -6.979 -9.818 1.00 0.00 H new ATOM 1397 N GLU A 92 -11.525 -4.437 -9.047 1.00 0.00 N ATOM 1398 CA GLU A 92 -10.249 -4.252 -9.748 1.00 0.00 C ATOM 1399 C GLU A 92 -9.174 -5.173 -9.152 1.00 0.00 C ATOM 1400 O GLU A 92 -8.541 -5.950 -9.861 1.00 0.00 O ATOM 1401 CB GLU A 92 -9.853 -2.769 -9.622 1.00 0.00 C ATOM 1402 CG GLU A 92 -8.412 -2.381 -10.005 1.00 0.00 C ATOM 1403 CD GLU A 92 -8.036 -0.984 -9.465 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -8.937 -0.182 -9.120 1.00 0.00 O ATOM 1405 OE2 GLU A 92 -6.823 -0.691 -9.346 1.00 0.00 O ATOM 0 H GLU A 92 -11.872 -3.587 -8.602 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.346 -4.516 -10.801 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.534 -2.186 -10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.020 -2.463 -8.589 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.718 -3.123 -9.610 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.308 -2.392 -11.090 1.00 0.00 H new ATOM 1412 N MET A 93 -9.013 -5.145 -7.830 1.00 0.00 N ATOM 1413 CA MET A 93 -8.066 -5.985 -7.101 1.00 0.00 C ATOM 1414 C MET A 93 -8.299 -7.495 -7.324 1.00 0.00 C ATOM 1415 O MET A 93 -7.371 -8.274 -7.532 1.00 0.00 O ATOM 1416 CB MET A 93 -8.189 -5.603 -5.627 1.00 0.00 C ATOM 1417 CG MET A 93 -7.179 -6.354 -4.772 1.00 0.00 C ATOM 1418 SD MET A 93 -7.905 -7.724 -3.832 1.00 0.00 S ATOM 1419 CE MET A 93 -8.978 -6.784 -2.712 1.00 0.00 C ATOM 0 H MET A 93 -9.549 -4.524 -7.224 1.00 0.00 H new ATOM 0 HA MET A 93 -7.056 -5.809 -7.470 1.00 0.00 H new ATOM 0 HB2 MET A 93 -8.037 -4.530 -5.514 1.00 0.00 H new ATOM 0 HB3 MET A 93 -9.198 -5.821 -5.276 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.389 -6.743 -5.414 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.711 -5.655 -4.078 1.00 0.00 H new ATOM 0 HE1 MET A 93 -9.155 -7.364 -1.806 1.00 0.00 H new ATOM 0 HE2 MET A 93 -8.496 -5.842 -2.452 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.929 -6.581 -3.204 1.00 0.00 H new ATOM 1429 N ASP A 94 -9.561 -7.905 -7.350 1.00 0.00 N ATOM 1430 CA ASP A 94 -9.992 -9.292 -7.581 1.00 0.00 C ATOM 1431 C ASP A 94 -9.630 -9.789 -8.995 1.00 0.00 C ATOM 1432 O ASP A 94 -9.341 -10.966 -9.202 1.00 0.00 O ATOM 1433 CB ASP A 94 -11.511 -9.347 -7.357 1.00 0.00 C ATOM 1434 CG ASP A 94 -12.128 -10.738 -7.144 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -11.424 -11.773 -7.178 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -13.362 -10.780 -6.918 1.00 0.00 O ATOM 0 H ASP A 94 -10.343 -7.266 -7.207 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.472 -9.953 -6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.749 -8.733 -6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.998 -8.887 -8.216 1.00 0.00 H new ATOM 1441 N TRP A 95 -9.595 -8.876 -9.968 1.00 0.00 N ATOM 1442 CA TRP A 95 -9.047 -9.100 -11.308 1.00 0.00 C ATOM 1443 C TRP A 95 -7.523 -9.280 -11.247 1.00 0.00 C ATOM 1444 O TRP A 95 -7.010 -10.329 -11.651 1.00 0.00 O ATOM 1445 CB TRP A 95 -9.503 -7.940 -12.226 1.00 0.00 C ATOM 1446 CG TRP A 95 -8.562 -7.369 -13.256 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -8.329 -6.047 -13.420 1.00 0.00 C ATOM 1448 CD2 TRP A 95 -7.775 -8.031 -14.301 1.00 0.00 C ATOM 1449 NE1 TRP A 95 -7.471 -5.843 -14.483 1.00 0.00 N ATOM 1450 CE2 TRP A 95 -7.109 -7.032 -15.074 1.00 0.00 C ATOM 1451 CE3 TRP A 95 -7.559 -9.372 -14.683 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 -6.297 -7.342 -16.175 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 -6.764 -9.697 -15.803 1.00 0.00 C ATOM 1454 CH2 TRP A 95 -6.134 -8.686 -16.549 1.00 0.00 C ATOM 0 H TRP A 95 -9.958 -7.931 -9.841 1.00 0.00 H new ATOM 0 HA TRP A 95 -9.429 -10.027 -11.735 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -10.394 -8.279 -12.755 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.810 -7.118 -11.579 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -8.752 -5.264 -12.808 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.147 -4.926 -14.791 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -8.011 -10.166 -14.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -5.803 -6.557 -16.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -6.639 -10.731 -16.089 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.528 -8.941 -17.405 1.00 0.00 H new ATOM 1465 N VAL A 96 -6.786 -8.292 -10.727 1.00 0.00 N ATOM 1466 CA VAL A 96 -5.337 -8.193 -10.990 1.00 0.00 C ATOM 1467 C VAL A 96 -4.486 -9.260 -10.284 1.00 0.00 C ATOM 1468 O VAL A 96 -3.496 -9.728 -10.849 1.00 0.00 O ATOM 1469 CB VAL A 96 -4.787 -6.796 -10.649 1.00 0.00 C ATOM 1470 CG1 VAL A 96 -5.496 -5.672 -11.393 1.00 0.00 C ATOM 1471 CG2 VAL A 96 -4.873 -6.498 -9.161 1.00 0.00 C ATOM 0 H VAL A 96 -7.159 -7.555 -10.128 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.249 -8.375 -12.061 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.745 -6.828 -10.968 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.060 -4.715 -11.107 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.380 -5.817 -12.467 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.556 -5.679 -11.138 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.474 -5.503 -8.966 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.914 -6.541 -8.841 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.292 -7.236 -8.608 1.00 0.00 H new ATOM 1481 N LEU A 97 -4.875 -9.680 -9.074 1.00 0.00 N ATOM 1482 CA LEU A 97 -4.219 -10.725 -8.275 1.00 0.00 C ATOM 1483 C LEU A 97 -4.295 -12.134 -8.889 1.00 0.00 C ATOM 1484 O LEU A 97 -3.574 -13.033 -8.448 1.00 0.00 O ATOM 1485 CB LEU A 97 -4.930 -10.773 -6.912 1.00 0.00 C ATOM 1486 CG LEU A 97 -4.400 -9.820 -5.832 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -4.231 -8.367 -6.232 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -5.383 -9.912 -4.666 1.00 0.00 C ATOM 0 H LEU A 97 -5.690 -9.285 -8.604 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.162 -10.465 -8.213 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.987 -10.557 -7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.867 -11.792 -6.529 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.385 -10.140 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.851 -7.798 -5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.526 -8.297 -7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.194 -7.960 -6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.057 -9.252 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.375 -9.612 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.419 -10.938 -4.301 1.00 0.00 H new ATOM 1500 N LYS A 98 -5.204 -12.346 -9.846 1.00 0.00 N ATOM 1501 CA LYS A 98 -5.794 -13.645 -10.165 1.00 0.00 C ATOM 1502 C LYS A 98 -5.646 -13.940 -11.649 1.00 0.00 C ATOM 1503 O LYS A 98 -5.040 -14.941 -12.016 1.00 0.00 O ATOM 1504 CB LYS A 98 -7.245 -13.581 -9.680 1.00 0.00 C ATOM 1505 CG LYS A 98 -8.001 -14.888 -9.911 1.00 0.00 C ATOM 1506 CD LYS A 98 -9.408 -14.837 -9.298 1.00 0.00 C ATOM 1507 CE LYS A 98 -10.310 -13.876 -10.078 1.00 0.00 C ATOM 1508 NZ LYS A 98 -11.544 -13.540 -9.324 1.00 0.00 N ATOM 0 H LYS A 98 -5.559 -11.594 -10.437 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.291 -14.474 -9.668 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.258 -13.341 -8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.761 -12.771 -10.196 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.075 -15.083 -10.981 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.442 -15.716 -9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.846 -15.835 -9.300 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.344 -14.518 -8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.760 -12.962 -10.300 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.580 -14.326 -11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.261 -13.167 -9.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.911 -14.395 -8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.326 -12.822 -8.604 1.00 0.00 H new ATOM 1522 N HIS A 99 -6.090 -12.995 -12.480 1.00 0.00 N ATOM 1523 CA HIS A 99 -5.843 -12.851 -13.922 1.00 0.00 C ATOM 1524 C HIS A 99 -6.308 -14.020 -14.828 1.00 0.00 C ATOM 1525 O HIS A 99 -7.062 -13.790 -15.775 1.00 0.00 O ATOM 1526 CB HIS A 99 -4.368 -12.443 -14.081 1.00 0.00 C ATOM 1527 CG HIS A 99 -3.848 -12.348 -15.491 1.00 0.00 C ATOM 1528 ND1 HIS A 99 -3.667 -11.183 -16.199 1.00 0.00 N ATOM 1529 CD2 HIS A 99 -3.362 -13.369 -16.262 1.00 0.00 C ATOM 1530 CE1 HIS A 99 -3.093 -11.490 -17.373 1.00 0.00 C ATOM 1531 NE2 HIS A 99 -2.885 -12.817 -17.459 1.00 0.00 N ATOM 0 H HIS A 99 -6.685 -12.242 -12.133 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.496 -12.070 -14.312 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.227 -11.476 -13.599 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.754 -13.162 -13.538 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -3.348 -14.415 -15.995 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.835 -10.774 -18.139 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -2.464 -13.321 -18.240 1.00 0.00 H new ATOM 1539 N SER A 100 -5.921 -15.268 -14.540 1.00 0.00 N ATOM 1540 CA SER A 100 -6.425 -16.521 -15.143 1.00 0.00 C ATOM 1541 C SER A 100 -6.309 -17.754 -14.211 1.00 0.00 C ATOM 1542 O SER A 100 -6.657 -18.865 -14.617 1.00 0.00 O ATOM 1543 CB SER A 100 -5.679 -16.810 -16.458 1.00 0.00 C ATOM 1544 OG SER A 100 -6.054 -15.899 -17.481 1.00 0.00 O ATOM 0 H SER A 100 -5.204 -15.448 -13.837 1.00 0.00 H new ATOM 0 HA SER A 100 -7.488 -16.360 -15.326 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.604 -16.746 -16.289 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.891 -17.829 -16.781 1.00 0.00 H new ATOM 0 HG SER A 100 -6.463 -15.105 -17.078 1.00 0.00 H new ATOM 1550 N GLY A 101 -5.822 -17.594 -12.973 1.00 0.00 N ATOM 1551 CA GLY A 101 -5.551 -18.679 -12.018 1.00 0.00 C ATOM 1552 C GLY A 101 -4.774 -18.160 -10.790 1.00 0.00 C ATOM 1553 O GLY A 101 -5.267 -17.242 -10.126 1.00 0.00 O ATOM 0 H GLY A 101 -5.598 -16.674 -12.595 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.491 -19.126 -11.695 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.977 -19.465 -12.509 1.00 0.00 H new ATOM 1557 N PRO A 102 -3.582 -18.704 -10.461 1.00 0.00 N ATOM 1558 CA PRO A 102 -2.616 -18.035 -9.580 1.00 0.00 C ATOM 1559 C PRO A 102 -1.956 -16.818 -10.270 1.00 0.00 C ATOM 1560 O PRO A 102 -1.922 -16.763 -11.520 1.00 0.00 O ATOM 1561 CB PRO A 102 -1.591 -19.119 -9.230 1.00 0.00 C ATOM 1562 CG PRO A 102 -1.553 -19.982 -10.490 1.00 0.00 C ATOM 1563 CD PRO A 102 -2.989 -19.914 -11.018 1.00 0.00 C ATOM 1564 OXT PRO A 102 -1.450 -15.915 -9.565 1.00 0.00 O ATOM 0 HA PRO A 102 -3.093 -17.625 -8.690 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.614 -18.692 -9.005 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.896 -19.695 -8.356 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.840 -19.596 -11.218 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -1.257 -21.007 -10.265 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.000 -19.884 -12.108 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.554 -20.796 -10.717 1.00 0.00 H new TER 1572 PRO A 102