USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 741 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 75 ASN : amide:sc= 0.751 K(o=2,f=-0.85!) USER MOD Set 1.2: A 77 LYS NZ :NH3+ 160:sc= 1.26 (180deg=1.15) USER MOD Set 2.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 53 SER OG : rot 113:sc= 1.25 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.615 K(o=0.62,f=-6.3!) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= 0.923 (180deg=0.813) USER MOD Single : A 20 GLN : amide:sc= 0.0707 X(o=0.071,f=-0.015) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -2.45! C(o=-2.4!,f=-9.1!) USER MOD Single : A 28 SER OG : rot 170:sc= -0.0739 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.36) USER MOD Single : A 37 ASN : amide:sc=-0.00266 X(o=-0.0027,f=-0.096) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 99:sc= 1.37 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.19) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -115:sc= 0.589 (180deg=-0.561) USER MOD Single : A 56 TYR OH : rot 165:sc= 0 USER MOD Single : A 57 MET CE :methyl -148:sc= -0.674 (180deg=-2.44) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 93:sc= 0.858 USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= -0.168 (180deg=-1.16) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -77:sc= -1.11 USER MOD Single : A 83 SER OG : rot 160:sc= -0.0927 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 82:sc= 0.367 USER MOD Single : A 96 HIS : no HD1:sc= -0.376 X(o=-0.38,f=-0.68) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 119:sc= 0.23 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 1.244 -10.715 3.513 1.00 0.00 N ATOM 61 CA LYS A 5 -0.142 -10.450 3.137 1.00 0.00 C ATOM 62 C LYS A 5 -0.601 -9.112 3.655 1.00 0.00 C ATOM 63 O LYS A 5 0.176 -8.350 4.204 1.00 0.00 O ATOM 64 CB LYS A 5 -1.050 -11.597 3.624 1.00 0.00 C ATOM 65 CG LYS A 5 -1.820 -12.131 2.413 1.00 0.00 C ATOM 66 CD LYS A 5 -2.045 -13.644 2.369 1.00 0.00 C ATOM 67 CE LYS A 5 -0.780 -14.344 1.857 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.090 -15.622 1.189 1.00 0.00 N ATOM 0 HA LYS A 5 -0.208 -10.406 2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.454 -12.389 4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.740 -11.240 4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.792 -11.639 2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.284 -11.838 1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.298 -14.012 3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.888 -13.876 1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.259 -13.687 1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.103 -14.526 2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.208 -16.063 0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.565 -16.259 1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.716 -15.446 0.377 1.00 0.00 H new ATOM 78 N LEU A 6 -1.871 -8.801 3.455 1.00 0.00 N ATOM 79 CA LEU A 6 -2.541 -7.692 4.108 1.00 0.00 C ATOM 80 C LEU A 6 -3.188 -8.222 5.405 1.00 0.00 C ATOM 81 O LEU A 6 -2.992 -9.385 5.763 1.00 0.00 O ATOM 82 CB LEU A 6 -3.528 -6.988 3.157 1.00 0.00 C ATOM 83 CG LEU A 6 -3.641 -7.475 1.700 1.00 0.00 C ATOM 84 CD1 LEU A 6 -4.284 -8.871 1.673 1.00 0.00 C ATOM 85 CD2 LEU A 6 -4.438 -6.488 0.842 1.00 0.00 C ATOM 0 H LEU A 6 -2.476 -9.324 2.821 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.827 -6.915 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.520 -7.056 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.262 -5.931 3.131 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.640 -7.536 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.364 -9.215 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.667 -9.567 2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.278 -8.822 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.499 -6.861 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.443 -6.381 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.940 -5.519 0.845 1.00 0.00 H new ATOM 96 N ASP A 7 -3.947 -7.398 6.133 1.00 0.00 N ATOM 97 CA ASP A 7 -4.830 -7.843 7.227 1.00 0.00 C ATOM 98 C ASP A 7 -6.272 -7.420 6.978 1.00 0.00 C ATOM 99 O ASP A 7 -7.187 -8.229 7.084 1.00 0.00 O ATOM 100 CB ASP A 7 -4.378 -7.275 8.581 1.00 0.00 C ATOM 101 CG ASP A 7 -4.413 -8.371 9.657 1.00 0.00 C ATOM 102 OD1 ASP A 7 -5.457 -9.035 9.830 1.00 0.00 O ATOM 103 OD2 ASP A 7 -3.385 -8.622 10.327 1.00 0.00 O ATOM 0 H ASP A 7 -3.969 -6.390 5.981 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.769 -8.931 7.255 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.369 -6.872 8.495 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.027 -6.449 8.872 1.00 0.00 H new ATOM 107 N ILE A 8 -6.429 -6.158 6.573 1.00 0.00 N ATOM 108 CA ILE A 8 -7.636 -5.414 6.271 1.00 0.00 C ATOM 109 C ILE A 8 -8.551 -5.243 7.481 1.00 0.00 C ATOM 110 O ILE A 8 -9.018 -6.185 8.116 1.00 0.00 O ATOM 111 CB ILE A 8 -8.366 -6.017 5.077 1.00 0.00 C ATOM 112 CG1 ILE A 8 -7.491 -6.075 3.812 1.00 0.00 C ATOM 113 CG2 ILE A 8 -9.633 -5.199 4.775 1.00 0.00 C ATOM 114 CD1 ILE A 8 -7.950 -7.228 2.928 1.00 0.00 C ATOM 0 H ILE A 8 -5.607 -5.570 6.435 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.325 -4.406 5.996 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.624 -7.041 5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.560 -5.134 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.445 -6.208 4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.152 -5.634 3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.291 -5.213 5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.356 -4.170 4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.330 -7.269 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.858 -8.166 3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.991 -7.075 2.642 1.00 0.00 H new ATOM 125 N VAL A 9 -8.884 -3.983 7.714 1.00 0.00 N ATOM 126 CA VAL A 9 -9.744 -3.474 8.761 1.00 0.00 C ATOM 127 C VAL A 9 -10.657 -2.452 8.086 1.00 0.00 C ATOM 128 O VAL A 9 -10.304 -1.298 7.877 1.00 0.00 O ATOM 129 CB VAL A 9 -8.889 -2.999 9.958 1.00 0.00 C ATOM 130 CG1 VAL A 9 -9.762 -2.413 11.073 1.00 0.00 C ATOM 131 CG2 VAL A 9 -8.034 -4.148 10.521 1.00 0.00 C ATOM 0 H VAL A 9 -8.528 -3.231 7.124 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.396 -4.215 9.224 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.228 -2.216 9.586 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.129 -2.089 11.899 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.320 -1.560 10.688 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.459 -3.173 11.427 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.443 -3.784 11.362 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.685 -4.955 10.857 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.367 -4.520 9.743 1.00 0.00 H new ATOM 141 N GLU A 10 -11.817 -2.895 7.613 1.00 0.00 N ATOM 142 CA GLU A 10 -12.783 -2.018 6.979 1.00 0.00 C ATOM 143 C GLU A 10 -13.340 -1.072 8.045 1.00 0.00 C ATOM 144 O GLU A 10 -14.016 -1.519 8.968 1.00 0.00 O ATOM 145 CB GLU A 10 -13.878 -2.841 6.298 1.00 0.00 C ATOM 146 CG GLU A 10 -13.361 -3.626 5.084 1.00 0.00 C ATOM 147 CD GLU A 10 -14.472 -3.940 4.070 1.00 0.00 C ATOM 148 OE1 GLU A 10 -15.186 -2.985 3.681 1.00 0.00 O ATOM 149 OE2 GLU A 10 -14.460 -5.036 3.482 1.00 0.00 O ATOM 0 H GLU A 10 -12.110 -3.871 7.660 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.313 -1.422 6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.306 -3.537 7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.682 -2.177 5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.576 -3.052 4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.909 -4.558 5.424 1.00 0.00 H new ATOM 154 N GLN A 11 -12.986 0.213 7.971 1.00 0.00 N ATOM 155 CA GLN A 11 -13.377 1.234 8.929 1.00 0.00 C ATOM 156 C GLN A 11 -14.755 1.808 8.536 1.00 0.00 C ATOM 157 O GLN A 11 -15.555 1.118 7.902 1.00 0.00 O ATOM 158 CB GLN A 11 -12.276 2.299 9.057 1.00 0.00 C ATOM 159 CG GLN A 11 -12.267 2.978 10.440 1.00 0.00 C ATOM 160 CD GLN A 11 -12.268 4.501 10.348 1.00 0.00 C ATOM 161 OE1 GLN A 11 -13.135 5.066 9.690 1.00 0.00 O ATOM 162 NE2 GLN A 11 -11.335 5.186 10.981 1.00 0.00 N ATOM 0 H GLN A 11 -12.402 0.576 7.218 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.488 0.800 9.923 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.306 1.837 8.877 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.416 3.056 8.285 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.139 2.652 11.006 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.387 2.652 10.995 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.623 4.697 11.523 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.326 6.205 10.928 1.00 0.00 H new ATOM 169 N ASP A 12 -15.058 3.054 8.920 1.00 0.00 N ATOM 170 CA ASP A 12 -16.418 3.617 8.815 1.00 0.00 C ATOM 171 C ASP A 12 -16.705 4.152 7.416 1.00 0.00 C ATOM 172 O ASP A 12 -17.835 4.089 6.941 1.00 0.00 O ATOM 173 CB ASP A 12 -16.601 4.792 9.784 1.00 0.00 C ATOM 174 CG ASP A 12 -18.050 5.009 10.247 1.00 0.00 C ATOM 175 OD1 ASP A 12 -18.814 4.029 10.416 1.00 0.00 O ATOM 176 OD2 ASP A 12 -18.411 6.153 10.613 1.00 0.00 O ATOM 0 H ASP A 12 -14.374 3.701 9.311 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.100 2.801 9.053 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.973 4.627 10.659 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.245 5.703 9.303 1.00 0.00 H new ATOM 180 N ASP A 13 -15.681 4.710 6.761 1.00 0.00 N ATOM 181 CA ASP A 13 -15.733 5.095 5.346 1.00 0.00 C ATOM 182 C ASP A 13 -14.372 4.875 4.663 1.00 0.00 C ATOM 183 O ASP A 13 -14.142 5.318 3.539 1.00 0.00 O ATOM 184 CB ASP A 13 -16.211 6.540 5.149 1.00 0.00 C ATOM 185 CG ASP A 13 -17.239 6.730 4.023 1.00 0.00 C ATOM 186 OD1 ASP A 13 -17.236 5.995 3.004 1.00 0.00 O ATOM 187 OD2 ASP A 13 -18.069 7.662 4.123 1.00 0.00 O ATOM 0 H ASP A 13 -14.783 4.909 7.203 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.469 4.446 4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.646 6.894 6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.345 7.169 4.942 1.00 0.00 H new ATOM 191 N LYS A 14 -13.411 4.252 5.355 1.00 0.00 N ATOM 192 CA LYS A 14 -12.030 4.078 4.907 1.00 0.00 C ATOM 193 C LYS A 14 -11.602 2.631 5.116 1.00 0.00 C ATOM 194 O LYS A 14 -12.081 1.992 6.047 1.00 0.00 O ATOM 195 CB LYS A 14 -11.122 5.106 5.615 1.00 0.00 C ATOM 196 CG LYS A 14 -11.238 5.281 7.131 1.00 0.00 C ATOM 197 CD LYS A 14 -10.413 6.487 7.615 1.00 0.00 C ATOM 198 CE LYS A 14 -8.944 6.081 7.717 1.00 0.00 C ATOM 199 NZ LYS A 14 -8.022 7.219 7.968 1.00 0.00 N ATOM 0 H LYS A 14 -13.582 3.842 6.273 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.941 4.273 3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.089 4.840 5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.306 6.078 5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.284 5.419 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.893 4.376 7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.525 7.321 6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.777 6.827 8.585 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.833 5.352 8.520 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.649 5.584 6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.083 6.854 8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.944 7.799 7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.393 7.801 8.746 1.00 0.00 H new ATOM 209 N ALA A 15 -10.757 2.080 4.250 1.00 0.00 N ATOM 210 CA ALA A 15 -10.286 0.706 4.393 1.00 0.00 C ATOM 211 C ALA A 15 -8.876 0.723 4.970 1.00 0.00 C ATOM 212 O ALA A 15 -7.943 1.153 4.288 1.00 0.00 O ATOM 213 CB ALA A 15 -10.332 -0.032 3.054 1.00 0.00 C ATOM 0 H ALA A 15 -10.382 2.568 3.436 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.943 0.167 5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.976 -1.053 3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.357 -0.051 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.696 0.482 2.333 1.00 0.00 H new ATOM 219 N ILE A 16 -8.710 0.271 6.217 1.00 0.00 N ATOM 220 CA ILE A 16 -7.396 0.170 6.842 1.00 0.00 C ATOM 221 C ILE A 16 -6.765 -1.144 6.345 1.00 0.00 C ATOM 222 O ILE A 16 -6.895 -2.202 6.962 1.00 0.00 O ATOM 223 CB ILE A 16 -7.561 0.306 8.375 1.00 0.00 C ATOM 224 CG1 ILE A 16 -8.148 1.684 8.759 1.00 0.00 C ATOM 225 CG2 ILE A 16 -6.276 -0.035 9.145 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.717 1.700 10.182 1.00 0.00 C ATOM 0 H ILE A 16 -9.479 -0.032 6.814 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.709 0.970 6.567 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.288 -0.444 8.686 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.371 2.444 8.673 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.935 1.950 8.053 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.452 0.078 10.215 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.986 -1.064 8.932 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.477 0.639 8.836 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.117 2.690 10.403 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.513 0.960 10.264 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.926 1.461 10.893 1.00 0.00 H new ATOM 237 N VAL A 17 -6.135 -1.132 5.173 1.00 0.00 N ATOM 238 CA VAL A 17 -5.386 -2.267 4.638 1.00 0.00 C ATOM 239 C VAL A 17 -4.016 -2.248 5.288 1.00 0.00 C ATOM 240 O VAL A 17 -3.053 -1.661 4.801 1.00 0.00 O ATOM 241 CB VAL A 17 -5.322 -2.214 3.100 1.00 0.00 C ATOM 242 CG1 VAL A 17 -4.723 -3.526 2.570 1.00 0.00 C ATOM 243 CG2 VAL A 17 -6.719 -2.042 2.491 1.00 0.00 C ATOM 0 H VAL A 17 -6.130 -0.319 4.557 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.881 -3.210 4.871 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.704 -1.361 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.677 -3.491 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.718 -3.656 2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.349 -4.363 2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.641 -2.008 1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.349 -2.882 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.161 -1.114 2.852 1.00 0.00 H new ATOM 253 N ARG A 18 -3.932 -2.905 6.435 1.00 0.00 N ATOM 254 CA ARG A 18 -2.639 -3.057 7.083 1.00 0.00 C ATOM 255 C ARG A 18 -1.820 -4.039 6.259 1.00 0.00 C ATOM 256 O ARG A 18 -2.369 -5.072 5.869 1.00 0.00 O ATOM 257 CB ARG A 18 -2.735 -3.456 8.559 1.00 0.00 C ATOM 258 CG ARG A 18 -3.727 -2.551 9.301 1.00 0.00 C ATOM 259 CD ARG A 18 -3.521 -2.552 10.813 1.00 0.00 C ATOM 260 NE ARG A 18 -2.503 -1.569 11.233 1.00 0.00 N ATOM 261 CZ ARG A 18 -2.363 -1.050 12.457 1.00 0.00 C ATOM 262 NH1 ARG A 18 -3.111 -1.471 13.468 1.00 0.00 N ATOM 263 NH2 ARG A 18 -1.484 -0.076 12.639 1.00 0.00 N ATOM 0 H ARG A 18 -4.719 -3.330 6.925 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.140 -2.089 7.112 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.052 -4.496 8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.752 -3.386 9.025 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.629 -1.532 8.927 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.743 -2.876 9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.466 -2.329 11.308 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.219 -3.548 11.137 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.843 -1.256 10.521 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.806 -2.202 13.318 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.991 -1.064 14.395 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.930 0.264 11.853 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.362 0.334 13.565 1.00 0.00 H new ATOM 274 N VAL A 19 -0.561 -3.739 5.957 1.00 0.00 N ATOM 275 CA VAL A 19 0.271 -4.571 5.098 1.00 0.00 C ATOM 276 C VAL A 19 1.258 -5.322 5.989 1.00 0.00 C ATOM 277 O VAL A 19 1.721 -4.793 7.001 1.00 0.00 O ATOM 278 CB VAL A 19 0.953 -3.673 4.056 1.00 0.00 C ATOM 279 CG1 VAL A 19 1.853 -4.459 3.097 1.00 0.00 C ATOM 280 CG2 VAL A 19 -0.074 -2.911 3.215 1.00 0.00 C ATOM 0 H VAL A 19 -0.087 -2.905 6.304 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.308 -5.312 4.547 1.00 0.00 H new ATOM 0 HB VAL A 19 1.564 -2.978 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.309 -3.774 2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.634 -4.965 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.257 -5.198 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.443 -2.285 2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.715 -3.621 2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.683 -2.283 3.865 1.00 0.00 H new ATOM 290 N GLN A 20 1.579 -6.563 5.627 1.00 0.00 N ATOM 291 CA GLN A 20 2.343 -7.504 6.432 1.00 0.00 C ATOM 292 C GLN A 20 3.434 -8.111 5.567 1.00 0.00 C ATOM 293 O GLN A 20 3.164 -8.594 4.464 1.00 0.00 O ATOM 294 CB GLN A 20 1.438 -8.579 7.060 1.00 0.00 C ATOM 295 CG GLN A 20 0.311 -7.886 7.838 1.00 0.00 C ATOM 296 CD GLN A 20 -0.447 -8.827 8.757 1.00 0.00 C ATOM 297 OE1 GLN A 20 -0.010 -9.103 9.873 1.00 0.00 O ATOM 298 NE2 GLN A 20 -1.598 -9.334 8.349 1.00 0.00 N ATOM 0 H GLN A 20 1.300 -6.953 4.727 1.00 0.00 H new ATOM 0 HA GLN A 20 2.804 -6.977 7.267 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.021 -9.221 6.284 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.018 -9.218 7.726 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.733 -7.073 8.429 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.387 -7.438 7.131 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.957 -9.103 7.423 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.127 -9.956 8.960 1.00 0.00 H new ATOM 305 N GLY A 21 4.660 -8.059 6.078 1.00 0.00 N ATOM 306 CA GLY A 21 5.835 -8.594 5.433 1.00 0.00 C ATOM 307 C GLY A 21 6.464 -7.550 4.520 1.00 0.00 C ATOM 308 O GLY A 21 5.778 -6.716 3.927 1.00 0.00 O ATOM 0 H GLY A 21 4.860 -7.628 6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.558 -8.911 6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.569 -9.479 4.854 1.00 0.00 H new ATOM 312 N ASP A 22 7.782 -7.583 4.416 1.00 0.00 N ATOM 313 CA ASP A 22 8.596 -6.752 3.554 1.00 0.00 C ATOM 314 C ASP A 22 8.457 -7.141 2.085 1.00 0.00 C ATOM 315 O ASP A 22 8.048 -8.251 1.751 1.00 0.00 O ATOM 316 CB ASP A 22 10.047 -6.763 4.016 1.00 0.00 C ATOM 317 CG ASP A 22 10.744 -8.112 3.836 1.00 0.00 C ATOM 318 OD1 ASP A 22 10.307 -9.097 4.457 1.00 0.00 O ATOM 319 OD2 ASP A 22 11.804 -8.154 3.177 1.00 0.00 O ATOM 0 H ASP A 22 8.344 -8.232 4.967 1.00 0.00 H new ATOM 0 HA ASP A 22 8.229 -5.729 3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.600 -6.003 3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.085 -6.483 5.069 1.00 0.00 H new ATOM 323 N ILE A 23 8.747 -6.181 1.204 1.00 0.00 N ATOM 324 CA ILE A 23 8.143 -6.112 -0.125 1.00 0.00 C ATOM 325 C ILE A 23 9.200 -6.262 -1.219 1.00 0.00 C ATOM 326 O ILE A 23 10.151 -5.484 -1.312 1.00 0.00 O ATOM 327 CB ILE A 23 7.273 -4.843 -0.219 1.00 0.00 C ATOM 328 CG1 ILE A 23 6.578 -4.672 -1.578 1.00 0.00 C ATOM 329 CG2 ILE A 23 8.057 -3.554 0.009 1.00 0.00 C ATOM 330 CD1 ILE A 23 5.310 -3.810 -1.430 1.00 0.00 C ATOM 0 H ILE A 23 9.409 -5.429 1.394 1.00 0.00 H new ATOM 0 HA ILE A 23 7.471 -6.955 -0.290 1.00 0.00 H new ATOM 0 HB ILE A 23 6.539 -4.999 0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.262 -4.205 -2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.316 -5.649 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.384 -2.700 -0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.505 -3.571 1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.843 -3.469 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.830 -3.699 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.620 -4.293 -0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.581 -2.827 -1.045 1.00 0.00 H new ATOM 341 N ASP A 24 9.027 -7.287 -2.045 1.00 0.00 N ATOM 342 CA ASP A 24 10.041 -7.812 -2.941 1.00 0.00 C ATOM 343 C ASP A 24 9.410 -8.363 -4.217 1.00 0.00 C ATOM 344 O ASP A 24 8.207 -8.237 -4.448 1.00 0.00 O ATOM 345 CB ASP A 24 10.825 -8.911 -2.211 1.00 0.00 C ATOM 346 CG ASP A 24 10.005 -10.105 -1.732 1.00 0.00 C ATOM 347 OD1 ASP A 24 8.878 -10.324 -2.227 1.00 0.00 O ATOM 348 OD2 ASP A 24 10.523 -10.839 -0.865 1.00 0.00 O ATOM 0 H ASP A 24 8.143 -7.791 -2.109 1.00 0.00 H new ATOM 0 HA ASP A 24 10.717 -7.007 -3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.608 -9.275 -2.876 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.321 -8.465 -1.349 1.00 0.00 H new ATOM 352 N ALA A 25 10.248 -8.954 -5.065 1.00 0.00 N ATOM 353 CA ALA A 25 9.897 -9.577 -6.327 1.00 0.00 C ATOM 354 C ALA A 25 9.025 -10.833 -6.210 1.00 0.00 C ATOM 355 O ALA A 25 8.660 -11.387 -7.252 1.00 0.00 O ATOM 356 CB ALA A 25 11.194 -9.915 -7.049 1.00 0.00 C ATOM 0 H ALA A 25 11.248 -9.011 -4.873 1.00 0.00 H new ATOM 0 HA ALA A 25 9.284 -8.863 -6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.966 -10.386 -8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.763 -9.002 -7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.783 -10.599 -6.438 1.00 0.00 H new ATOM 362 N TYR A 26 8.692 -11.315 -5.012 1.00 0.00 N ATOM 363 CA TYR A 26 7.665 -12.322 -4.823 1.00 0.00 C ATOM 364 C TYR A 26 6.342 -11.629 -4.467 1.00 0.00 C ATOM 365 O TYR A 26 5.286 -12.015 -4.976 1.00 0.00 O ATOM 366 CB TYR A 26 8.101 -13.291 -3.721 1.00 0.00 C ATOM 367 CG TYR A 26 9.445 -13.975 -3.906 1.00 0.00 C ATOM 368 CD1 TYR A 26 9.580 -15.044 -4.810 1.00 0.00 C ATOM 369 CD2 TYR A 26 10.553 -13.571 -3.138 1.00 0.00 C ATOM 370 CE1 TYR A 26 10.820 -15.691 -4.959 1.00 0.00 C ATOM 371 CE2 TYR A 26 11.797 -14.205 -3.284 1.00 0.00 C ATOM 372 CZ TYR A 26 11.936 -15.267 -4.203 1.00 0.00 C ATOM 373 OH TYR A 26 13.143 -15.870 -4.384 1.00 0.00 O ATOM 0 H TYR A 26 9.134 -11.011 -4.144 1.00 0.00 H new ATOM 0 HA TYR A 26 7.519 -12.894 -5.739 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.124 -12.745 -2.778 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.337 -14.062 -3.624 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.730 -15.369 -5.391 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.445 -12.764 -2.428 1.00 0.00 H new ATOM 0 HE1 TYR A 26 10.919 -16.513 -5.652 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.643 -13.882 -2.696 1.00 0.00 H new ATOM 0 HH TYR A 26 13.806 -15.461 -3.789 1.00 0.00 H new ATOM 382 N ASN A 27 6.396 -10.538 -3.685 1.00 0.00 N ATOM 383 CA ASN A 27 5.234 -9.783 -3.244 1.00 0.00 C ATOM 384 C ASN A 27 4.730 -8.928 -4.393 1.00 0.00 C ATOM 385 O ASN A 27 3.604 -8.434 -4.387 1.00 0.00 O ATOM 386 CB ASN A 27 5.598 -8.875 -2.064 1.00 0.00 C ATOM 387 CG ASN A 27 4.349 -8.206 -1.502 1.00 0.00 C ATOM 388 OD1 ASN A 27 3.271 -8.777 -1.490 1.00 0.00 O ATOM 389 ND2 ASN A 27 4.441 -7.002 -0.977 1.00 0.00 N ATOM 0 H ASN A 27 7.276 -10.155 -3.339 1.00 0.00 H new ATOM 0 HA ASN A 27 4.460 -10.482 -2.925 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.087 -9.460 -1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.310 -8.116 -2.387 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.618 -6.560 -0.568 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.335 -6.512 -0.979 1.00 0.00 H new ATOM 395 N SER A 28 5.565 -8.762 -5.419 1.00 0.00 N ATOM 396 CA SER A 28 5.238 -7.990 -6.575 1.00 0.00 C ATOM 397 C SER A 28 4.050 -8.570 -7.357 1.00 0.00 C ATOM 398 O SER A 28 3.540 -7.915 -8.264 1.00 0.00 O ATOM 399 CB SER A 28 6.476 -7.743 -7.434 1.00 0.00 C ATOM 400 OG SER A 28 7.036 -8.942 -7.925 1.00 0.00 O ATOM 0 H SER A 28 6.497 -9.174 -5.452 1.00 0.00 H new ATOM 0 HA SER A 28 4.894 -7.013 -6.236 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.211 -7.099 -8.272 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.223 -7.210 -6.846 1.00 0.00 H new ATOM 0 HG SER A 28 7.721 -8.733 -8.594 1.00 0.00 H new ATOM 405 N SER A 29 3.598 -9.780 -7.014 1.00 0.00 N ATOM 406 CA SER A 29 2.342 -10.346 -7.459 1.00 0.00 C ATOM 407 C SER A 29 1.434 -10.673 -6.297 1.00 0.00 C ATOM 408 O SER A 29 0.232 -10.616 -6.499 1.00 0.00 O ATOM 409 CB SER A 29 2.598 -11.538 -8.365 1.00 0.00 C ATOM 410 OG SER A 29 3.533 -12.429 -7.788 1.00 0.00 O ATOM 0 H SER A 29 4.120 -10.404 -6.399 1.00 0.00 H new ATOM 0 HA SER A 29 1.809 -9.599 -8.047 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.661 -12.062 -8.554 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.969 -11.192 -9.329 1.00 0.00 H new ATOM 0 HG SER A 29 3.678 -13.187 -8.392 1.00 0.00 H new ATOM 415 N GLU A 30 1.949 -10.934 -5.096 1.00 0.00 N ATOM 416 CA GLU A 30 1.096 -11.146 -3.940 1.00 0.00 C ATOM 417 C GLU A 30 0.343 -9.843 -3.621 1.00 0.00 C ATOM 418 O GLU A 30 -0.828 -9.752 -3.959 1.00 0.00 O ATOM 419 CB GLU A 30 1.928 -11.690 -2.759 1.00 0.00 C ATOM 420 CG GLU A 30 1.308 -12.904 -2.061 1.00 0.00 C ATOM 421 CD GLU A 30 1.718 -14.266 -2.637 1.00 0.00 C ATOM 422 OE1 GLU A 30 2.912 -14.494 -2.943 1.00 0.00 O ATOM 423 OE2 GLU A 30 0.830 -15.153 -2.683 1.00 0.00 O ATOM 0 H GLU A 30 2.948 -11.002 -4.904 1.00 0.00 H new ATOM 0 HA GLU A 30 0.342 -11.905 -4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.920 -11.961 -3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.063 -10.894 -2.027 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.581 -12.876 -1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.223 -12.817 -2.111 1.00 0.00 H new ATOM 428 N LEU A 31 0.955 -8.791 -3.062 1.00 0.00 N ATOM 429 CA LEU A 31 0.247 -7.559 -2.707 1.00 0.00 C ATOM 430 C LEU A 31 -0.485 -6.957 -3.902 1.00 0.00 C ATOM 431 O LEU A 31 -1.553 -6.371 -3.744 1.00 0.00 O ATOM 432 CB LEU A 31 1.223 -6.523 -2.126 1.00 0.00 C ATOM 433 CG LEU A 31 0.545 -5.228 -1.656 1.00 0.00 C ATOM 434 CD1 LEU A 31 -0.441 -5.520 -0.526 1.00 0.00 C ATOM 435 CD2 LEU A 31 1.608 -4.241 -1.167 1.00 0.00 C ATOM 0 H LEU A 31 1.951 -8.772 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.495 -7.823 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.754 -6.970 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.970 -6.278 -2.881 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.001 -4.794 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.912 -4.591 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.206 -6.211 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.091 -5.966 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.126 -3.322 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.160 -4.682 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.296 -4.015 -1.981 1.00 0.00 H new ATOM 446 N LYS A 32 0.076 -7.111 -5.103 1.00 0.00 N ATOM 447 CA LYS A 32 -0.601 -6.724 -6.328 1.00 0.00 C ATOM 448 C LYS A 32 -1.936 -7.471 -6.427 1.00 0.00 C ATOM 449 O LYS A 32 -2.964 -6.807 -6.551 1.00 0.00 O ATOM 450 CB LYS A 32 0.304 -7.035 -7.543 1.00 0.00 C ATOM 451 CG LYS A 32 -0.239 -6.219 -8.734 1.00 0.00 C ATOM 452 CD LYS A 32 0.384 -6.549 -10.092 1.00 0.00 C ATOM 453 CE LYS A 32 1.842 -6.102 -10.140 1.00 0.00 C ATOM 454 NZ LYS A 32 2.560 -6.617 -11.322 1.00 0.00 N ATOM 0 H LYS A 32 1.006 -7.505 -5.247 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.803 -5.653 -6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.339 -6.766 -7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.292 -8.101 -7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.316 -6.375 -8.799 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.083 -5.160 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.321 -7.622 -10.275 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.179 -6.057 -10.885 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.883 -5.013 -10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.350 -6.439 -9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.545 -6.283 -11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.547 -7.657 -11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.095 -6.275 -12.187 1.00 0.00 H new ATOM 464 N GLU A 33 -1.936 -8.811 -6.374 1.00 0.00 N ATOM 465 CA GLU A 33 -3.139 -9.610 -6.579 1.00 0.00 C ATOM 466 C GLU A 33 -4.119 -9.310 -5.450 1.00 0.00 C ATOM 467 O GLU A 33 -5.307 -9.094 -5.677 1.00 0.00 O ATOM 468 CB GLU A 33 -2.853 -11.122 -6.756 1.00 0.00 C ATOM 469 CG GLU A 33 -2.762 -11.973 -5.487 1.00 0.00 C ATOM 470 CD GLU A 33 -2.992 -13.469 -5.711 1.00 0.00 C ATOM 471 OE1 GLU A 33 -2.601 -14.037 -6.758 1.00 0.00 O ATOM 472 OE2 GLU A 33 -3.617 -14.107 -4.829 1.00 0.00 O ATOM 0 H GLU A 33 -1.100 -9.365 -6.188 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.593 -9.323 -7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.636 -11.542 -7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.914 -11.226 -7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.778 -11.832 -5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.495 -11.609 -4.767 1.00 0.00 H new ATOM 477 N GLN A 34 -3.596 -9.260 -4.223 1.00 0.00 N ATOM 478 CA GLN A 34 -4.377 -9.178 -3.012 1.00 0.00 C ATOM 479 C GLN A 34 -5.132 -7.857 -3.007 1.00 0.00 C ATOM 480 O GLN A 34 -6.236 -7.790 -2.481 1.00 0.00 O ATOM 481 CB GLN A 34 -3.429 -9.299 -1.808 1.00 0.00 C ATOM 482 CG GLN A 34 -2.715 -10.661 -1.732 1.00 0.00 C ATOM 483 CD GLN A 34 -3.616 -11.778 -1.232 1.00 0.00 C ATOM 484 OE1 GLN A 34 -3.955 -11.858 -0.055 1.00 0.00 O ATOM 485 NE2 GLN A 34 -4.003 -12.684 -2.111 1.00 0.00 N ATOM 0 H GLN A 34 -2.591 -9.277 -4.052 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.106 -9.986 -2.954 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.682 -8.507 -1.861 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.996 -9.142 -0.890 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.337 -10.922 -2.720 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.851 -10.576 -1.072 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.714 -12.605 -3.086 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.591 -13.463 -1.815 1.00 0.00 H new ATOM 492 N LEU A 35 -4.565 -6.815 -3.621 1.00 0.00 N ATOM 493 CA LEU A 35 -5.207 -5.525 -3.701 1.00 0.00 C ATOM 494 C LEU A 35 -6.123 -5.416 -4.883 1.00 0.00 C ATOM 495 O LEU A 35 -7.175 -4.863 -4.657 1.00 0.00 O ATOM 496 CB LEU A 35 -4.203 -4.400 -3.800 1.00 0.00 C ATOM 497 CG LEU A 35 -3.542 -4.079 -2.457 1.00 0.00 C ATOM 498 CD1 LEU A 35 -2.450 -3.037 -2.672 1.00 0.00 C ATOM 499 CD2 LEU A 35 -4.553 -3.518 -1.446 1.00 0.00 C ATOM 0 H LEU A 35 -3.651 -6.854 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.782 -5.436 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.434 -4.668 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.700 -3.507 -4.178 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.129 -5.006 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.976 -2.805 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.703 -3.430 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.889 -2.131 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.046 -3.303 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.991 -2.601 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.341 -4.252 -1.274 1.00 0.00 H new ATOM 510 N ARG A 36 -5.822 -5.869 -6.105 1.00 0.00 N ATOM 511 CA ARG A 36 -6.856 -5.829 -7.147 1.00 0.00 C ATOM 512 C ARG A 36 -8.094 -6.586 -6.690 1.00 0.00 C ATOM 513 O ARG A 36 -9.205 -6.145 -6.984 1.00 0.00 O ATOM 514 CB ARG A 36 -6.371 -6.354 -8.505 1.00 0.00 C ATOM 515 CG ARG A 36 -5.700 -7.729 -8.443 1.00 0.00 C ATOM 516 CD ARG A 36 -5.242 -8.218 -9.814 1.00 0.00 C ATOM 517 NE ARG A 36 -6.177 -9.163 -10.432 1.00 0.00 N ATOM 518 CZ ARG A 36 -6.222 -9.445 -11.739 1.00 0.00 C ATOM 519 NH1 ARG A 36 -5.420 -8.842 -12.616 1.00 0.00 N ATOM 520 NH2 ARG A 36 -7.081 -10.350 -12.171 1.00 0.00 N ATOM 0 H ARG A 36 -4.919 -6.249 -6.389 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.106 -4.779 -7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.221 -6.407 -9.186 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.667 -5.637 -8.929 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.842 -7.681 -7.773 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.397 -8.451 -8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.113 -7.360 -10.474 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.266 -8.694 -9.716 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.841 -9.640 -9.822 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.748 -8.144 -12.297 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.478 -9.078 -13.607 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.698 -10.823 -11.511 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.127 -10.576 -13.165 1.00 0.00 H new ATOM 531 N ASN A 37 -7.917 -7.692 -5.967 1.00 0.00 N ATOM 532 CA ASN A 37 -9.038 -8.486 -5.519 1.00 0.00 C ATOM 533 C ASN A 37 -9.717 -7.775 -4.358 1.00 0.00 C ATOM 534 O ASN A 37 -10.944 -7.672 -4.336 1.00 0.00 O ATOM 535 CB ASN A 37 -8.618 -9.937 -5.207 1.00 0.00 C ATOM 536 CG ASN A 37 -8.971 -10.838 -6.387 1.00 0.00 C ATOM 537 OD1 ASN A 37 -8.728 -10.491 -7.545 1.00 0.00 O ATOM 538 ND2 ASN A 37 -9.627 -11.957 -6.139 1.00 0.00 N ATOM 0 H ASN A 37 -7.005 -8.050 -5.684 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.773 -8.579 -6.319 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.547 -9.982 -5.010 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.122 -10.286 -4.306 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.940 -12.547 -6.910 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.821 -12.232 -5.176 1.00 0.00 H new ATOM 544 N PHE A 38 -8.940 -7.204 -3.434 1.00 0.00 N ATOM 545 CA PHE A 38 -9.519 -6.534 -2.289 1.00 0.00 C ATOM 546 C PHE A 38 -10.200 -5.247 -2.712 1.00 0.00 C ATOM 547 O PHE A 38 -11.300 -4.987 -2.255 1.00 0.00 O ATOM 548 CB PHE A 38 -8.499 -6.257 -1.192 1.00 0.00 C ATOM 549 CG PHE A 38 -9.055 -5.321 -0.141 1.00 0.00 C ATOM 550 CD1 PHE A 38 -10.132 -5.730 0.672 1.00 0.00 C ATOM 551 CD2 PHE A 38 -8.631 -3.980 -0.125 1.00 0.00 C ATOM 552 CE1 PHE A 38 -10.778 -4.802 1.505 1.00 0.00 C ATOM 553 CE2 PHE A 38 -9.282 -3.056 0.702 1.00 0.00 C ATOM 554 CZ PHE A 38 -10.340 -3.470 1.529 1.00 0.00 C ATOM 0 H PHE A 38 -7.920 -7.197 -3.464 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.261 -7.213 -1.870 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.202 -7.196 -0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.601 -5.821 -1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.461 -6.759 0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.807 -3.664 -0.748 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.607 -5.112 2.123 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.970 -2.022 0.704 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.818 -2.759 2.186 1.00 0.00 H new ATOM 563 N ILE A 39 -9.600 -4.440 -3.583 1.00 0.00 N ATOM 564 CA ILE A 39 -10.263 -3.271 -4.158 1.00 0.00 C ATOM 565 C ILE A 39 -11.606 -3.612 -4.805 1.00 0.00 C ATOM 566 O ILE A 39 -12.439 -2.715 -4.912 1.00 0.00 O ATOM 567 CB ILE A 39 -9.278 -2.590 -5.126 1.00 0.00 C ATOM 568 CG1 ILE A 39 -8.418 -1.622 -4.285 1.00 0.00 C ATOM 569 CG2 ILE A 39 -9.904 -1.886 -6.338 1.00 0.00 C ATOM 570 CD1 ILE A 39 -7.080 -1.272 -4.927 1.00 0.00 C ATOM 0 H ILE A 39 -8.643 -4.577 -3.910 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.522 -2.571 -3.364 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.681 -3.373 -5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.981 -0.704 -4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.236 -2.068 -3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.117 -1.443 -6.948 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.460 -2.611 -6.933 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.580 -1.103 -5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.533 -0.588 -4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.496 -2.181 -5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.253 -0.796 -5.892 1.00 0.00 H new ATOM 581 N SER A 40 -11.848 -4.848 -5.235 1.00 0.00 N ATOM 582 CA SER A 40 -13.144 -5.244 -5.752 1.00 0.00 C ATOM 583 C SER A 40 -14.112 -5.524 -4.581 1.00 0.00 C ATOM 584 O SER A 40 -15.240 -5.024 -4.604 1.00 0.00 O ATOM 585 CB SER A 40 -12.920 -6.393 -6.740 1.00 0.00 C ATOM 586 OG SER A 40 -13.534 -6.103 -7.984 1.00 0.00 O ATOM 0 H SER A 40 -11.153 -5.594 -5.233 1.00 0.00 H new ATOM 0 HA SER A 40 -13.640 -4.454 -6.316 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.852 -6.554 -6.884 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.330 -7.317 -6.332 1.00 0.00 H new ATOM 0 HG SER A 40 -13.381 -6.845 -8.605 1.00 0.00 H new ATOM 591 N THR A 41 -13.662 -6.183 -3.500 1.00 0.00 N ATOM 592 CA THR A 41 -14.387 -6.256 -2.233 1.00 0.00 C ATOM 593 C THR A 41 -14.729 -4.850 -1.728 1.00 0.00 C ATOM 594 O THR A 41 -15.883 -4.612 -1.352 1.00 0.00 O ATOM 595 CB THR A 41 -13.562 -7.058 -1.200 1.00 0.00 C ATOM 596 OG1 THR A 41 -13.776 -8.445 -1.369 1.00 0.00 O ATOM 597 CG2 THR A 41 -13.856 -6.675 0.258 1.00 0.00 C ATOM 0 H THR A 41 -12.774 -6.684 -3.488 1.00 0.00 H new ATOM 0 HA THR A 41 -15.330 -6.781 -2.386 1.00 0.00 H new ATOM 0 HB THR A 41 -12.520 -6.804 -1.392 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.246 -8.940 -0.710 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.240 -7.279 0.924 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.628 -5.620 0.410 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.909 -6.854 0.476 1.00 0.00 H new ATOM 605 N THR A 42 -13.739 -3.953 -1.655 1.00 0.00 N ATOM 606 CA THR A 42 -13.718 -2.800 -0.784 1.00 0.00 C ATOM 607 C THR A 42 -14.977 -1.958 -0.974 1.00 0.00 C ATOM 608 O THR A 42 -15.190 -1.312 -1.999 1.00 0.00 O ATOM 609 CB THR A 42 -12.372 -2.050 -0.931 1.00 0.00 C ATOM 610 OG1 THR A 42 -12.043 -1.276 0.197 1.00 0.00 O ATOM 611 CG2 THR A 42 -12.295 -1.047 -2.074 1.00 0.00 C ATOM 0 H THR A 42 -12.900 -4.025 -2.231 1.00 0.00 H new ATOM 0 HA THR A 42 -13.757 -3.103 0.262 1.00 0.00 H new ATOM 0 HB THR A 42 -11.695 -2.888 -1.100 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.410 -1.770 0.759 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.310 -0.581 -2.083 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.463 -1.561 -3.021 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.058 -0.280 -1.937 1.00 0.00 H new ATOM 619 N SER A 43 -15.846 -1.988 0.026 1.00 0.00 N ATOM 620 CA SER A 43 -16.874 -0.988 0.168 1.00 0.00 C ATOM 621 C SER A 43 -16.194 0.365 0.419 1.00 0.00 C ATOM 622 O SER A 43 -16.507 1.364 -0.230 1.00 0.00 O ATOM 623 CB SER A 43 -17.742 -1.425 1.352 1.00 0.00 C ATOM 624 OG SER A 43 -18.631 -2.450 0.967 1.00 0.00 O ATOM 0 H SER A 43 -15.852 -2.704 0.753 1.00 0.00 H new ATOM 0 HA SER A 43 -17.498 -0.885 -0.719 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.107 -1.775 2.166 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.305 -0.572 1.731 1.00 0.00 H new ATOM 0 HG SER A 43 -19.176 -2.717 1.737 1.00 0.00 H new ATOM 629 N LYS A 44 -15.255 0.407 1.364 1.00 0.00 N ATOM 630 CA LYS A 44 -14.862 1.635 2.045 1.00 0.00 C ATOM 631 C LYS A 44 -13.700 2.286 1.328 1.00 0.00 C ATOM 632 O LYS A 44 -12.605 1.733 1.305 1.00 0.00 O ATOM 633 CB LYS A 44 -14.542 1.345 3.513 1.00 0.00 C ATOM 634 CG LYS A 44 -15.739 1.659 4.413 1.00 0.00 C ATOM 635 CD LYS A 44 -16.974 0.770 4.255 1.00 0.00 C ATOM 636 CE LYS A 44 -16.803 -0.622 4.869 1.00 0.00 C ATOM 637 NZ LYS A 44 -17.065 -0.619 6.323 1.00 0.00 N ATOM 0 H LYS A 44 -14.744 -0.417 1.679 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.693 2.341 2.024 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.263 0.298 3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.683 1.939 3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.409 1.600 5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -16.038 2.691 4.232 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.828 1.262 4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -17.204 0.666 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.482 -1.321 4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.790 -0.979 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.761 -1.526 6.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.536 0.157 6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.083 -0.486 6.492 1.00 0.00 H new ATOM 647 N LYS A 45 -13.940 3.432 0.696 1.00 0.00 N ATOM 648 CA LYS A 45 -13.124 3.823 -0.446 1.00 0.00 C ATOM 649 C LYS A 45 -11.711 4.254 -0.122 1.00 0.00 C ATOM 650 O LYS A 45 -10.853 4.177 -0.999 1.00 0.00 O ATOM 651 CB LYS A 45 -13.809 4.924 -1.253 1.00 0.00 C ATOM 652 CG LYS A 45 -15.239 4.541 -1.644 1.00 0.00 C ATOM 653 CD LYS A 45 -15.698 5.384 -2.829 1.00 0.00 C ATOM 654 CE LYS A 45 -17.179 5.094 -3.050 1.00 0.00 C ATOM 655 NZ LYS A 45 -17.708 5.752 -4.257 1.00 0.00 N ATOM 0 H LYS A 45 -14.676 4.092 0.949 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.032 2.907 -1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.827 5.844 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.229 5.128 -2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.284 3.483 -1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.909 4.692 -0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.540 6.444 -2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.122 5.138 -3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.327 4.017 -3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.745 5.428 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.717 5.524 -4.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.593 6.782 -4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.188 5.415 -5.092 1.00 0.00 H new ATOM 665 N LYS A 46 -11.454 4.760 1.080 1.00 0.00 N ATOM 666 CA LYS A 46 -10.151 5.338 1.387 1.00 0.00 C ATOM 667 C LYS A 46 -9.144 4.227 1.661 1.00 0.00 C ATOM 668 O LYS A 46 -9.107 3.740 2.787 1.00 0.00 O ATOM 669 CB LYS A 46 -10.305 6.362 2.514 1.00 0.00 C ATOM 670 CG LYS A 46 -9.267 7.484 2.560 1.00 0.00 C ATOM 671 CD LYS A 46 -9.481 8.276 3.861 1.00 0.00 C ATOM 672 CE LYS A 46 -8.871 9.669 3.784 1.00 0.00 C ATOM 673 NZ LYS A 46 -8.906 10.363 5.083 1.00 0.00 N ATOM 0 H LYS A 46 -12.123 4.782 1.850 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.749 5.888 0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.293 6.814 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.276 5.830 3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.259 7.072 2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.373 8.137 1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.549 8.358 4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.038 7.731 4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.839 9.594 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.410 10.260 3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.528 11.194 5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.269 9.717 5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.946 10.669 5.339 1.00 0.00 H new ATOM 683 N ILE A 47 -8.399 3.760 0.650 1.00 0.00 N ATOM 684 CA ILE A 47 -7.595 2.549 0.811 1.00 0.00 C ATOM 685 C ILE A 47 -6.257 2.964 1.427 1.00 0.00 C ATOM 686 O ILE A 47 -5.378 3.480 0.740 1.00 0.00 O ATOM 687 CB ILE A 47 -7.459 1.757 -0.517 1.00 0.00 C ATOM 688 CG1 ILE A 47 -8.758 1.671 -1.351 1.00 0.00 C ATOM 689 CG2 ILE A 47 -6.988 0.326 -0.218 1.00 0.00 C ATOM 690 CD1 ILE A 47 -9.973 1.108 -0.609 1.00 0.00 C ATOM 0 H ILE A 47 -8.338 4.195 -0.270 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.087 1.846 1.483 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.735 2.313 -1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.004 2.669 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.568 1.051 -2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.893 -0.228 -1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.021 0.359 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.715 -0.169 0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.832 1.089 -1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.755 0.095 -0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.198 1.738 0.251 1.00 0.00 H new ATOM 701 N VAL A 48 -6.117 2.803 2.736 1.00 0.00 N ATOM 702 CA VAL A 48 -4.951 3.185 3.521 1.00 0.00 C ATOM 703 C VAL A 48 -4.047 1.975 3.678 1.00 0.00 C ATOM 704 O VAL A 48 -4.516 0.914 4.083 1.00 0.00 O ATOM 705 CB VAL A 48 -5.424 3.710 4.891 1.00 0.00 C ATOM 706 CG1 VAL A 48 -4.234 4.117 5.760 1.00 0.00 C ATOM 707 CG2 VAL A 48 -6.413 4.877 4.756 1.00 0.00 C ATOM 0 H VAL A 48 -6.850 2.382 3.307 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.388 3.975 3.023 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.951 2.890 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.594 4.484 6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.588 3.254 5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.670 4.904 5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.718 5.212 5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.934 5.700 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.290 4.548 4.199 1.00 0.00 H new ATOM 717 N LEU A 49 -2.757 2.121 3.372 1.00 0.00 N ATOM 718 CA LEU A 49 -1.801 1.021 3.313 1.00 0.00 C ATOM 719 C LEU A 49 -0.710 1.186 4.349 1.00 0.00 C ATOM 720 O LEU A 49 0.166 2.010 4.174 1.00 0.00 O ATOM 721 CB LEU A 49 -1.230 0.888 1.898 1.00 0.00 C ATOM 722 CG LEU A 49 -2.015 0.057 0.874 1.00 0.00 C ATOM 723 CD1 LEU A 49 -2.243 -1.403 1.280 1.00 0.00 C ATOM 724 CD2 LEU A 49 -3.339 0.724 0.522 1.00 0.00 C ATOM 0 H LEU A 49 -2.342 3.027 3.154 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.324 0.095 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.112 1.892 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.232 0.458 1.981 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.377 0.024 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.805 -1.914 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.281 -1.897 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.805 -1.438 2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.873 0.112 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.945 0.828 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.148 1.709 0.097 1.00 0.00 H new ATOM 735 N ASP A 50 -0.798 0.485 5.469 1.00 0.00 N ATOM 736 CA ASP A 50 0.094 0.590 6.636 1.00 0.00 C ATOM 737 C ASP A 50 1.368 -0.221 6.407 1.00 0.00 C ATOM 738 O ASP A 50 1.266 -1.444 6.310 1.00 0.00 O ATOM 739 CB ASP A 50 -0.615 -0.062 7.818 1.00 0.00 C ATOM 740 CG ASP A 50 0.076 0.107 9.154 1.00 0.00 C ATOM 741 OD1 ASP A 50 1.281 -0.199 9.251 1.00 0.00 O ATOM 742 OD2 ASP A 50 -0.661 0.350 10.127 1.00 0.00 O ATOM 0 H ASP A 50 -1.530 -0.213 5.605 1.00 0.00 H new ATOM 0 HA ASP A 50 0.335 1.639 6.806 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.621 0.352 7.892 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.723 -1.127 7.614 1.00 0.00 H new ATOM 746 N LEU A 51 2.550 0.386 6.296 1.00 0.00 N ATOM 747 CA LEU A 51 3.780 -0.313 6.005 1.00 0.00 C ATOM 748 C LEU A 51 4.648 -0.561 7.231 1.00 0.00 C ATOM 749 O LEU A 51 5.847 -0.809 7.073 1.00 0.00 O ATOM 750 CB LEU A 51 4.525 0.389 4.862 1.00 0.00 C ATOM 751 CG LEU A 51 3.788 0.434 3.511 1.00 0.00 C ATOM 752 CD1 LEU A 51 2.870 -0.757 3.198 1.00 0.00 C ATOM 753 CD2 LEU A 51 3.032 1.735 3.268 1.00 0.00 C ATOM 0 H LEU A 51 2.670 1.393 6.409 1.00 0.00 H new ATOM 0 HA LEU A 51 3.517 -1.316 5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.743 1.412 5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.482 -0.111 4.716 1.00 0.00 H new ATOM 0 HG LEU A 51 4.623 0.368 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.407 -0.613 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.456 -1.676 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.094 -0.829 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.538 1.693 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.285 1.873 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.732 2.571 3.283 1.00 0.00 H new ATOM 764 N SER A 52 4.073 -0.584 8.438 1.00 0.00 N ATOM 765 CA SER A 52 4.878 -0.758 9.642 1.00 0.00 C ATOM 766 C SER A 52 5.636 -2.093 9.613 1.00 0.00 C ATOM 767 O SER A 52 6.744 -2.215 10.147 1.00 0.00 O ATOM 768 CB SER A 52 4.024 -0.601 10.911 1.00 0.00 C ATOM 769 OG SER A 52 3.277 -1.752 11.269 1.00 0.00 O ATOM 0 H SER A 52 3.071 -0.486 8.602 1.00 0.00 H new ATOM 0 HA SER A 52 5.627 0.033 9.665 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.678 -0.336 11.742 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.336 0.232 10.769 1.00 0.00 H new ATOM 0 HG SER A 52 2.765 -1.569 12.084 1.00 0.00 H new ATOM 774 N SER A 53 5.052 -3.103 8.961 1.00 0.00 N ATOM 775 CA SER A 53 5.560 -4.470 8.883 1.00 0.00 C ATOM 776 C SER A 53 6.586 -4.649 7.762 1.00 0.00 C ATOM 777 O SER A 53 7.083 -5.756 7.564 1.00 0.00 O ATOM 778 CB SER A 53 4.388 -5.424 8.618 1.00 0.00 C ATOM 779 OG SER A 53 3.168 -4.952 9.177 1.00 0.00 O ATOM 0 H SER A 53 4.176 -2.982 8.453 1.00 0.00 H new ATOM 0 HA SER A 53 6.051 -4.690 9.831 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.265 -5.555 7.543 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.620 -6.404 9.034 1.00 0.00 H new ATOM 0 HG SER A 53 2.548 -4.716 8.456 1.00 0.00 H new ATOM 784 N VAL A 54 6.846 -3.611 6.964 1.00 0.00 N ATOM 785 CA VAL A 54 7.493 -3.766 5.677 1.00 0.00 C ATOM 786 C VAL A 54 8.896 -3.166 5.836 1.00 0.00 C ATOM 787 O VAL A 54 9.126 -1.983 5.584 1.00 0.00 O ATOM 788 CB VAL A 54 6.602 -3.146 4.574 1.00 0.00 C ATOM 789 CG1 VAL A 54 7.058 -3.552 3.175 1.00 0.00 C ATOM 790 CG2 VAL A 54 5.126 -3.579 4.647 1.00 0.00 C ATOM 0 H VAL A 54 6.612 -2.646 7.198 1.00 0.00 H new ATOM 0 HA VAL A 54 7.617 -4.800 5.356 1.00 0.00 H new ATOM 0 HB VAL A 54 6.697 -2.075 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.405 -3.094 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.082 -3.215 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.013 -4.637 3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.567 -3.103 3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.059 -4.662 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.706 -3.279 5.607 1.00 0.00 H new ATOM 800 N SER A 55 9.840 -3.967 6.326 1.00 0.00 N ATOM 801 CA SER A 55 11.146 -3.549 6.813 1.00 0.00 C ATOM 802 C SER A 55 12.189 -3.312 5.719 1.00 0.00 C ATOM 803 O SER A 55 13.273 -2.790 5.974 1.00 0.00 O ATOM 804 CB SER A 55 11.619 -4.704 7.673 1.00 0.00 C ATOM 805 OG SER A 55 10.962 -4.668 8.929 1.00 0.00 O ATOM 0 H SER A 55 9.704 -4.976 6.396 1.00 0.00 H new ATOM 0 HA SER A 55 11.043 -2.594 7.328 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.414 -5.650 7.172 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.698 -4.646 7.815 1.00 0.00 H new ATOM 0 HG SER A 55 11.270 -5.417 9.481 1.00 0.00 H new ATOM 810 N TYR A 56 11.872 -3.749 4.514 1.00 0.00 N ATOM 811 CA TYR A 56 12.668 -3.674 3.305 1.00 0.00 C ATOM 812 C TYR A 56 11.728 -3.297 2.171 1.00 0.00 C ATOM 813 O TYR A 56 10.507 -3.387 2.334 1.00 0.00 O ATOM 814 CB TYR A 56 13.323 -5.047 3.104 1.00 0.00 C ATOM 815 CG TYR A 56 13.890 -5.331 1.729 1.00 0.00 C ATOM 816 CD1 TYR A 56 15.196 -4.922 1.417 1.00 0.00 C ATOM 817 CD2 TYR A 56 13.107 -5.983 0.753 1.00 0.00 C ATOM 818 CE1 TYR A 56 15.732 -5.165 0.141 1.00 0.00 C ATOM 819 CE2 TYR A 56 13.634 -6.218 -0.527 1.00 0.00 C ATOM 820 CZ TYR A 56 14.960 -5.842 -0.825 1.00 0.00 C ATOM 821 OH TYR A 56 15.516 -6.179 -2.019 1.00 0.00 O ATOM 0 H TYR A 56 10.975 -4.204 4.343 1.00 0.00 H new ATOM 0 HA TYR A 56 13.460 -2.927 3.351 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.127 -5.151 3.833 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.584 -5.814 3.333 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.793 -4.417 2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 56 12.103 -6.301 0.990 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.732 -4.834 -0.099 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.023 -6.687 -1.284 1.00 0.00 H new ATOM 0 HH TYR A 56 14.948 -6.838 -2.470 1.00 0.00 H new ATOM 830 N MET A 57 12.279 -2.855 1.041 1.00 0.00 N ATOM 831 CA MET A 57 11.528 -2.625 -0.178 1.00 0.00 C ATOM 832 C MET A 57 12.492 -2.652 -1.348 1.00 0.00 C ATOM 833 O MET A 57 13.426 -1.841 -1.394 1.00 0.00 O ATOM 834 CB MET A 57 10.799 -1.279 -0.106 1.00 0.00 C ATOM 835 CG MET A 57 9.976 -0.936 -1.353 1.00 0.00 C ATOM 836 SD MET A 57 9.291 0.736 -1.405 1.00 0.00 S ATOM 837 CE MET A 57 7.847 0.319 -2.410 1.00 0.00 C ATOM 0 H MET A 57 13.273 -2.646 0.952 1.00 0.00 H new ATOM 0 HA MET A 57 10.776 -3.404 -0.307 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.138 -1.284 0.761 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.533 -0.490 0.058 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.605 -1.078 -2.232 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.154 -1.648 -1.431 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.583 1.170 -3.039 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.078 -0.540 -3.040 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.008 0.076 -1.758 1.00 0.00 H new ATOM 845 N ASP A 58 12.261 -3.553 -2.294 1.00 0.00 N ATOM 846 CA ASP A 58 13.002 -3.551 -3.552 1.00 0.00 C ATOM 847 C ASP A 58 12.289 -2.659 -4.571 1.00 0.00 C ATOM 848 O ASP A 58 11.137 -2.267 -4.372 1.00 0.00 O ATOM 849 CB ASP A 58 13.143 -4.975 -4.105 1.00 0.00 C ATOM 850 CG ASP A 58 14.342 -5.133 -5.048 1.00 0.00 C ATOM 851 OD1 ASP A 58 15.044 -4.144 -5.364 1.00 0.00 O ATOM 852 OD2 ASP A 58 14.568 -6.272 -5.499 1.00 0.00 O ATOM 0 H ASP A 58 11.566 -4.296 -2.215 1.00 0.00 H new ATOM 0 HA ASP A 58 14.001 -3.158 -3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.246 -5.673 -3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.231 -5.245 -4.637 1.00 0.00 H new ATOM 856 N SER A 59 12.922 -2.423 -5.719 1.00 0.00 N ATOM 857 CA SER A 59 12.313 -1.769 -6.879 1.00 0.00 C ATOM 858 C SER A 59 11.050 -2.500 -7.361 1.00 0.00 C ATOM 859 O SER A 59 10.230 -1.902 -8.058 1.00 0.00 O ATOM 860 CB SER A 59 13.331 -1.664 -8.023 1.00 0.00 C ATOM 861 OG SER A 59 12.888 -0.707 -8.974 1.00 0.00 O ATOM 0 H SER A 59 13.895 -2.687 -5.873 1.00 0.00 H new ATOM 0 HA SER A 59 12.012 -0.769 -6.567 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.306 -1.375 -7.630 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.456 -2.635 -8.502 1.00 0.00 H new ATOM 0 HG SER A 59 13.541 -0.642 -9.702 1.00 0.00 H new ATOM 866 N ALA A 60 10.874 -3.767 -6.981 1.00 0.00 N ATOM 867 CA ALA A 60 9.701 -4.545 -7.310 1.00 0.00 C ATOM 868 C ALA A 60 8.474 -3.989 -6.582 1.00 0.00 C ATOM 869 O ALA A 60 7.368 -4.055 -7.116 1.00 0.00 O ATOM 870 CB ALA A 60 9.969 -6.000 -6.927 1.00 0.00 C ATOM 0 H ALA A 60 11.560 -4.280 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 60 9.493 -4.488 -8.378 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.095 -6.606 -7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.831 -6.370 -7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.172 -6.063 -5.858 1.00 0.00 H new ATOM 876 N GLY A 61 8.659 -3.415 -5.389 1.00 0.00 N ATOM 877 CA GLY A 61 7.586 -2.907 -4.557 1.00 0.00 C ATOM 878 C GLY A 61 6.890 -1.713 -5.194 1.00 0.00 C ATOM 879 O GLY A 61 5.667 -1.655 -5.270 1.00 0.00 O ATOM 0 H GLY A 61 9.583 -3.292 -4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.858 -3.699 -4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.986 -2.618 -3.585 1.00 0.00 H new ATOM 883 N LEU A 62 7.664 -0.725 -5.642 1.00 0.00 N ATOM 884 CA LEU A 62 7.116 0.549 -6.100 1.00 0.00 C ATOM 885 C LEU A 62 6.310 0.328 -7.368 1.00 0.00 C ATOM 886 O LEU A 62 5.161 0.758 -7.425 1.00 0.00 O ATOM 887 CB LEU A 62 8.161 1.667 -6.270 1.00 0.00 C ATOM 888 CG LEU A 62 9.631 1.260 -6.462 1.00 0.00 C ATOM 889 CD1 LEU A 62 10.420 2.362 -7.170 1.00 0.00 C ATOM 890 CD2 LEU A 62 10.271 0.977 -5.097 1.00 0.00 C ATOM 0 H LEU A 62 8.681 -0.785 -5.697 1.00 0.00 H new ATOM 0 HA LEU A 62 6.461 0.914 -5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.867 2.271 -7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.105 2.312 -5.393 1.00 0.00 H new ATOM 0 HG LEU A 62 9.657 0.363 -7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.456 2.046 -7.292 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.981 2.552 -8.149 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.386 3.274 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.313 0.689 -5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.222 1.874 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.733 0.167 -4.604 1.00 0.00 H new ATOM 901 N GLY A 63 6.854 -0.430 -8.322 1.00 0.00 N ATOM 902 CA GLY A 63 6.148 -0.849 -9.527 1.00 0.00 C ATOM 903 C GLY A 63 4.892 -1.689 -9.249 1.00 0.00 C ATOM 904 O GLY A 63 4.070 -1.856 -10.153 1.00 0.00 O ATOM 0 H GLY A 63 7.813 -0.774 -8.275 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.863 0.036 -10.096 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.828 -1.426 -10.153 1.00 0.00 H new ATOM 908 N THR A 64 4.721 -2.204 -8.027 1.00 0.00 N ATOM 909 CA THR A 64 3.561 -2.974 -7.603 1.00 0.00 C ATOM 910 C THR A 64 2.550 -2.067 -6.915 1.00 0.00 C ATOM 911 O THR A 64 1.370 -2.402 -6.881 1.00 0.00 O ATOM 912 CB THR A 64 4.041 -4.113 -6.675 1.00 0.00 C ATOM 913 OG1 THR A 64 4.819 -4.987 -7.460 1.00 0.00 O ATOM 914 CG2 THR A 64 2.929 -4.880 -5.950 1.00 0.00 C ATOM 0 H THR A 64 5.413 -2.089 -7.286 1.00 0.00 H new ATOM 0 HA THR A 64 3.059 -3.413 -8.465 1.00 0.00 H new ATOM 0 HB THR A 64 4.613 -3.659 -5.866 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.762 -4.728 -7.401 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.370 -5.657 -5.325 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.360 -4.192 -5.325 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.265 -5.338 -6.683 1.00 0.00 H new ATOM 922 N LEU A 65 2.964 -0.916 -6.388 1.00 0.00 N ATOM 923 CA LEU A 65 2.067 0.018 -5.727 1.00 0.00 C ATOM 924 C LEU A 65 1.556 1.059 -6.713 1.00 0.00 C ATOM 925 O LEU A 65 0.371 1.385 -6.698 1.00 0.00 O ATOM 926 CB LEU A 65 2.833 0.686 -4.586 1.00 0.00 C ATOM 927 CG LEU A 65 3.115 -0.267 -3.408 1.00 0.00 C ATOM 928 CD1 LEU A 65 4.354 0.228 -2.663 1.00 0.00 C ATOM 929 CD2 LEU A 65 1.912 -0.351 -2.463 1.00 0.00 C ATOM 0 H LEU A 65 3.936 -0.608 -6.410 1.00 0.00 H new ATOM 0 HA LEU A 65 1.200 -0.512 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.778 1.072 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.262 1.541 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 65 3.293 -1.271 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.565 -0.438 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.207 0.239 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.175 1.236 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.141 -1.031 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.693 0.639 -2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.045 -0.722 -3.010 1.00 0.00 H new ATOM 940 N VAL A 66 2.414 1.581 -7.590 1.00 0.00 N ATOM 941 CA VAL A 66 2.057 2.630 -8.543 1.00 0.00 C ATOM 942 C VAL A 66 0.965 2.156 -9.514 1.00 0.00 C ATOM 943 O VAL A 66 0.105 2.937 -9.919 1.00 0.00 O ATOM 944 CB VAL A 66 3.353 3.131 -9.208 1.00 0.00 C ATOM 945 CG1 VAL A 66 4.001 2.096 -10.117 1.00 0.00 C ATOM 946 CG2 VAL A 66 3.159 4.429 -9.988 1.00 0.00 C ATOM 0 H VAL A 66 3.387 1.283 -7.659 1.00 0.00 H new ATOM 0 HA VAL A 66 1.601 3.484 -8.042 1.00 0.00 H new ATOM 0 HB VAL A 66 4.025 3.323 -8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.909 2.513 -10.553 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.252 1.208 -9.537 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.307 1.825 -10.913 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.107 4.731 -10.433 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.422 4.274 -10.775 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.810 5.210 -9.313 1.00 0.00 H new ATOM 956 N VAL A 67 0.950 0.869 -9.864 1.00 0.00 N ATOM 957 CA VAL A 67 -0.090 0.256 -10.690 1.00 0.00 C ATOM 958 C VAL A 67 -1.468 0.316 -10.012 1.00 0.00 C ATOM 959 O VAL A 67 -2.480 0.503 -10.698 1.00 0.00 O ATOM 960 CB VAL A 67 0.394 -1.161 -11.078 1.00 0.00 C ATOM 961 CG1 VAL A 67 0.080 -2.200 -10.011 1.00 0.00 C ATOM 962 CG2 VAL A 67 -0.195 -1.574 -12.421 1.00 0.00 C ATOM 0 H VAL A 67 1.674 0.211 -9.576 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.246 0.816 -11.612 1.00 0.00 H new ATOM 0 HB VAL A 67 1.480 -1.116 -11.162 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.442 -3.176 -10.336 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.571 -1.923 -9.078 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.998 -2.246 -9.854 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.155 -2.573 -12.680 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.283 -1.576 -12.356 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.121 -0.868 -13.189 1.00 0.00 H new ATOM 972 N ILE A 68 -1.503 0.215 -8.678 1.00 0.00 N ATOM 973 CA ILE A 68 -2.736 0.176 -7.908 1.00 0.00 C ATOM 974 C ILE A 68 -3.444 1.538 -7.957 1.00 0.00 C ATOM 975 O ILE A 68 -4.659 1.578 -7.788 1.00 0.00 O ATOM 976 CB ILE A 68 -2.479 -0.299 -6.458 1.00 0.00 C ATOM 977 CG1 ILE A 68 -1.770 -1.671 -6.341 1.00 0.00 C ATOM 978 CG2 ILE A 68 -3.789 -0.349 -5.657 1.00 0.00 C ATOM 979 CD1 ILE A 68 -2.595 -2.912 -6.674 1.00 0.00 C ATOM 0 H ILE A 68 -0.662 0.158 -8.103 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.404 -0.556 -8.362 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.797 0.444 -6.045 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.899 -1.658 -6.996 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.400 -1.775 -5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.582 -0.686 -4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.235 0.645 -5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.481 -1.042 -6.135 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.978 -3.802 -6.551 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.453 -2.969 -6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.944 -2.851 -7.705 1.00 0.00 H new ATOM 990 N LEU A 69 -2.740 2.642 -8.256 1.00 0.00 N ATOM 991 CA LEU A 69 -3.348 3.963 -8.451 1.00 0.00 C ATOM 992 C LEU A 69 -4.528 3.825 -9.408 1.00 0.00 C ATOM 993 O LEU A 69 -5.663 4.194 -9.096 1.00 0.00 O ATOM 994 CB LEU A 69 -2.295 4.944 -9.013 1.00 0.00 C ATOM 995 CG LEU A 69 -2.550 6.456 -8.840 1.00 0.00 C ATOM 996 CD1 LEU A 69 -3.775 6.965 -9.600 1.00 0.00 C ATOM 997 CD2 LEU A 69 -2.644 6.848 -7.364 1.00 0.00 C ATOM 0 H LEU A 69 -1.726 2.640 -8.369 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.705 4.357 -7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.338 4.711 -8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.187 4.743 -10.079 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.681 6.943 -9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.890 8.036 -9.430 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.645 6.779 -10.666 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.665 6.444 -9.246 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.824 7.920 -7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.465 6.306 -6.895 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.710 6.598 -6.861 1.00 0.00 H new ATOM 1008 N LYS A 70 -4.256 3.223 -10.567 1.00 0.00 N ATOM 1009 CA LYS A 70 -5.278 2.947 -11.550 1.00 0.00 C ATOM 1010 C LYS A 70 -6.184 1.813 -11.097 1.00 0.00 C ATOM 1011 O LYS A 70 -7.382 1.958 -11.294 1.00 0.00 O ATOM 1012 CB LYS A 70 -4.629 2.692 -12.909 1.00 0.00 C ATOM 1013 CG LYS A 70 -5.660 2.202 -13.944 1.00 0.00 C ATOM 1014 CD LYS A 70 -5.232 2.552 -15.378 1.00 0.00 C ATOM 1015 CE LYS A 70 -5.981 1.740 -16.442 1.00 0.00 C ATOM 1016 NZ LYS A 70 -7.333 2.251 -16.763 1.00 0.00 N ATOM 0 H LYS A 70 -3.322 2.918 -10.840 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.925 3.818 -11.657 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.160 3.608 -13.267 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.838 1.950 -12.802 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.783 1.123 -13.853 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.630 2.652 -13.733 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.402 3.614 -15.553 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.161 2.379 -15.484 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.386 1.724 -17.355 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.068 0.709 -16.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.919 1.475 -17.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.771 2.638 -15.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.260 3.000 -17.481 1.00 0.00 H new ATOM 1026 N ASP A 71 -5.699 0.705 -10.519 1.00 0.00 N ATOM 1027 CA ASP A 71 -6.589 -0.418 -10.192 1.00 0.00 C ATOM 1028 C ASP A 71 -7.697 0.011 -9.218 1.00 0.00 C ATOM 1029 O ASP A 71 -8.836 -0.452 -9.311 1.00 0.00 O ATOM 1030 CB ASP A 71 -5.863 -1.615 -9.569 1.00 0.00 C ATOM 1031 CG ASP A 71 -5.172 -2.550 -10.559 1.00 0.00 C ATOM 1032 OD1 ASP A 71 -5.875 -3.134 -11.414 1.00 0.00 O ATOM 1033 OD2 ASP A 71 -3.939 -2.733 -10.459 1.00 0.00 O ATOM 0 H ASP A 71 -4.719 0.563 -10.273 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.008 -0.725 -11.150 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.117 -1.241 -8.867 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.583 -2.194 -8.990 1.00 0.00 H new ATOM 1037 N ALA A 72 -7.374 0.914 -8.289 1.00 0.00 N ATOM 1038 CA ALA A 72 -8.308 1.539 -7.376 1.00 0.00 C ATOM 1039 C ALA A 72 -9.263 2.415 -8.177 1.00 0.00 C ATOM 1040 O ALA A 72 -10.472 2.279 -8.004 1.00 0.00 O ATOM 1041 CB ALA A 72 -7.537 2.342 -6.323 1.00 0.00 C ATOM 0 H ALA A 72 -6.415 1.236 -8.155 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.895 0.788 -6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.241 2.812 -5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.878 1.675 -5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.942 3.111 -6.816 1.00 0.00 H new ATOM 1047 N LYS A 73 -8.746 3.253 -9.087 1.00 0.00 N ATOM 1048 CA LYS A 73 -9.548 4.057 -10.008 1.00 0.00 C ATOM 1049 C LYS A 73 -10.567 3.203 -10.755 1.00 0.00 C ATOM 1050 O LYS A 73 -11.690 3.657 -10.953 1.00 0.00 O ATOM 1051 CB LYS A 73 -8.659 4.796 -11.026 1.00 0.00 C ATOM 1052 CG LYS A 73 -9.285 6.142 -11.413 1.00 0.00 C ATOM 1053 CD LYS A 73 -8.652 6.733 -12.680 1.00 0.00 C ATOM 1054 CE LYS A 73 -9.318 6.167 -13.941 1.00 0.00 C ATOM 1055 NZ LYS A 73 -9.085 7.041 -15.111 1.00 0.00 N ATOM 0 H LYS A 73 -7.742 3.390 -9.202 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.080 4.790 -9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.668 4.958 -10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.527 4.181 -11.916 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.355 6.011 -11.571 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.168 6.845 -10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.751 7.818 -12.668 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.585 6.510 -12.696 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.927 5.170 -14.145 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.390 6.060 -13.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.547 6.632 -15.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.480 7.985 -14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.063 7.122 -15.285 1.00 0.00 H new ATOM 1065 N ILE A 74 -10.216 1.971 -11.138 1.00 0.00 N ATOM 1066 CA ILE A 74 -11.128 1.071 -11.831 1.00 0.00 C ATOM 1067 C ILE A 74 -12.384 0.846 -10.984 1.00 0.00 C ATOM 1068 O ILE A 74 -13.477 0.869 -11.544 1.00 0.00 O ATOM 1069 CB ILE A 74 -10.440 -0.255 -12.223 1.00 0.00 C ATOM 1070 CG1 ILE A 74 -9.180 -0.112 -13.101 1.00 0.00 C ATOM 1071 CG2 ILE A 74 -11.421 -1.184 -12.938 1.00 0.00 C ATOM 1072 CD1 ILE A 74 -9.222 0.905 -14.232 1.00 0.00 C ATOM 0 H ILE A 74 -9.291 1.575 -10.974 1.00 0.00 H new ATOM 0 HA ILE A 74 -11.432 1.539 -12.767 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.111 -0.672 -11.271 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.344 0.144 -12.450 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.960 -1.088 -13.534 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.915 -2.112 -13.205 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -12.260 -1.405 -12.278 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.789 -0.698 -13.842 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.271 0.897 -14.764 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -10.026 0.648 -14.922 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.400 1.899 -13.821 1.00 0.00 H new ATOM 1083 N ASN A 75 -12.276 0.671 -9.662 1.00 0.00 N ATOM 1084 CA ASN A 75 -13.461 0.541 -8.804 1.00 0.00 C ATOM 1085 C ASN A 75 -13.900 1.878 -8.195 1.00 0.00 C ATOM 1086 O ASN A 75 -14.728 1.902 -7.278 1.00 0.00 O ATOM 1087 CB ASN A 75 -13.259 -0.539 -7.729 1.00 0.00 C ATOM 1088 CG ASN A 75 -14.606 -1.079 -7.234 1.00 0.00 C ATOM 1089 OD1 ASN A 75 -15.621 -0.998 -7.922 1.00 0.00 O ATOM 1090 ND2 ASN A 75 -14.686 -1.623 -6.036 1.00 0.00 N ATOM 0 H ASN A 75 -11.387 0.616 -9.165 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.279 0.217 -9.447 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.663 -1.356 -8.136 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.700 -0.123 -6.891 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.582 -1.970 -5.692 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.852 -1.697 -5.453 1.00 0.00 H new ATOM 1096 N GLY A 76 -13.312 2.985 -8.655 1.00 0.00 N ATOM 1097 CA GLY A 76 -13.531 4.329 -8.157 1.00 0.00 C ATOM 1098 C GLY A 76 -13.135 4.462 -6.689 1.00 0.00 C ATOM 1099 O GLY A 76 -13.908 5.020 -5.910 1.00 0.00 O ATOM 0 H GLY A 76 -12.640 2.958 -9.421 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.955 5.036 -8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.582 4.594 -8.275 1.00 0.00 H new ATOM 1103 N LYS A 77 -11.984 3.907 -6.288 1.00 0.00 N ATOM 1104 CA LYS A 77 -11.506 3.893 -4.904 1.00 0.00 C ATOM 1105 C LYS A 77 -10.253 4.756 -4.760 1.00 0.00 C ATOM 1106 O LYS A 77 -9.633 5.136 -5.764 1.00 0.00 O ATOM 1107 CB LYS A 77 -11.265 2.437 -4.461 1.00 0.00 C ATOM 1108 CG LYS A 77 -12.503 1.536 -4.637 1.00 0.00 C ATOM 1109 CD LYS A 77 -13.643 1.895 -3.680 1.00 0.00 C ATOM 1110 CE LYS A 77 -14.835 0.938 -3.760 1.00 0.00 C ATOM 1111 NZ LYS A 77 -15.841 1.274 -4.786 1.00 0.00 N ATOM 0 H LYS A 77 -11.345 3.444 -6.935 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.262 4.324 -4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.437 2.022 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.963 2.428 -3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.860 1.614 -5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.215 0.497 -4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.261 1.901 -2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.985 2.907 -3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.461 -0.067 -3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.326 0.912 -2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.410 0.431 -5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.462 2.028 -4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.361 1.600 -5.649 1.00 0.00 H new ATOM 1121 N GLU A 78 -9.869 5.059 -3.522 1.00 0.00 N ATOM 1122 CA GLU A 78 -8.736 5.909 -3.173 1.00 0.00 C ATOM 1123 C GLU A 78 -7.482 5.060 -2.927 1.00 0.00 C ATOM 1124 O GLU A 78 -7.480 3.860 -3.203 1.00 0.00 O ATOM 1125 CB GLU A 78 -9.108 6.784 -1.961 1.00 0.00 C ATOM 1126 CG GLU A 78 -8.691 8.244 -2.171 1.00 0.00 C ATOM 1127 CD GLU A 78 -9.577 8.984 -3.187 1.00 0.00 C ATOM 1128 OE1 GLU A 78 -10.177 8.362 -4.096 1.00 0.00 O ATOM 1129 OE2 GLU A 78 -9.686 10.222 -3.059 1.00 0.00 O ATOM 0 H GLU A 78 -10.360 4.704 -2.702 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.501 6.575 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.183 6.733 -1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.625 6.392 -1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.729 8.767 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.656 8.275 -2.510 1.00 0.00 H new ATOM 1134 N PHE A 79 -6.393 5.672 -2.455 1.00 0.00 N ATOM 1135 CA PHE A 79 -5.128 5.020 -2.162 1.00 0.00 C ATOM 1136 C PHE A 79 -4.244 6.004 -1.379 1.00 0.00 C ATOM 1137 O PHE A 79 -4.046 7.127 -1.836 1.00 0.00 O ATOM 1138 CB PHE A 79 -4.503 4.619 -3.500 1.00 0.00 C ATOM 1139 CG PHE A 79 -3.011 4.421 -3.464 1.00 0.00 C ATOM 1140 CD1 PHE A 79 -2.465 3.323 -2.781 1.00 0.00 C ATOM 1141 CD2 PHE A 79 -2.163 5.386 -4.035 1.00 0.00 C ATOM 1142 CE1 PHE A 79 -1.076 3.189 -2.668 1.00 0.00 C ATOM 1143 CE2 PHE A 79 -0.772 5.254 -3.920 1.00 0.00 C ATOM 1144 CZ PHE A 79 -0.232 4.166 -3.216 1.00 0.00 C ATOM 0 H PHE A 79 -6.374 6.673 -2.261 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.250 4.127 -1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.970 3.695 -3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.736 5.386 -4.239 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.116 2.581 -2.343 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.583 6.229 -4.563 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.655 2.334 -2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.119 5.986 -4.371 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.838 4.081 -3.096 1.00 0.00 H new ATOM 1153 N ILE A 80 -3.751 5.608 -0.202 1.00 0.00 N ATOM 1154 CA ILE A 80 -2.861 6.363 0.687 1.00 0.00 C ATOM 1155 C ILE A 80 -1.924 5.330 1.326 1.00 0.00 C ATOM 1156 O ILE A 80 -2.305 4.165 1.468 1.00 0.00 O ATOM 1157 CB ILE A 80 -3.674 7.123 1.773 1.00 0.00 C ATOM 1158 CG1 ILE A 80 -4.827 7.942 1.143 1.00 0.00 C ATOM 1159 CG2 ILE A 80 -2.731 8.010 2.626 1.00 0.00 C ATOM 1160 CD1 ILE A 80 -5.761 8.595 2.156 1.00 0.00 C ATOM 0 H ILE A 80 -3.978 4.690 0.181 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.300 7.119 0.137 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.136 6.391 2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.400 8.718 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.412 7.287 0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.313 8.537 3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.984 7.383 3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.232 8.735 1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.539 9.148 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.220 7.825 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.193 9.279 2.787 1.00 0.00 H new ATOM 1171 N LEU A 81 -0.719 5.729 1.736 1.00 0.00 N ATOM 1172 CA LEU A 81 0.216 4.870 2.456 1.00 0.00 C ATOM 1173 C LEU A 81 0.415 5.436 3.843 1.00 0.00 C ATOM 1174 O LEU A 81 0.321 6.645 4.034 1.00 0.00 O ATOM 1175 CB LEU A 81 1.596 4.854 1.784 1.00 0.00 C ATOM 1176 CG LEU A 81 1.658 4.427 0.314 1.00 0.00 C ATOM 1177 CD1 LEU A 81 3.128 4.365 -0.095 1.00 0.00 C ATOM 1178 CD2 LEU A 81 0.962 3.096 0.044 1.00 0.00 C ATOM 0 H LEU A 81 -0.362 6.671 1.574 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.197 3.861 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.021 5.855 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.242 4.188 2.356 1.00 0.00 H new ATOM 0 HG LEU A 81 1.118 5.162 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.203 4.063 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.583 5.347 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.649 3.640 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.042 2.852 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.435 2.312 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.090 3.173 0.320 1.00 0.00 H new ATOM 1189 N SER A 82 0.754 4.573 4.788 1.00 0.00 N ATOM 1190 CA SER A 82 0.859 4.900 6.177 1.00 0.00 C ATOM 1191 C SER A 82 2.004 4.159 6.877 1.00 0.00 C ATOM 1192 O SER A 82 2.482 3.160 6.353 1.00 0.00 O ATOM 1193 CB SER A 82 -0.498 4.531 6.790 1.00 0.00 C ATOM 1194 OG SER A 82 -1.113 3.375 6.274 1.00 0.00 O ATOM 0 H SER A 82 0.968 3.596 4.589 1.00 0.00 H new ATOM 0 HA SER A 82 1.093 5.957 6.304 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.366 4.400 7.864 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.177 5.372 6.653 1.00 0.00 H new ATOM 0 HG SER A 82 -1.514 3.579 5.403 1.00 0.00 H new ATOM 1199 N SER A 83 2.389 4.586 8.081 1.00 0.00 N ATOM 1200 CA SER A 83 3.369 3.952 8.967 1.00 0.00 C ATOM 1201 C SER A 83 4.674 3.571 8.250 1.00 0.00 C ATOM 1202 O SER A 83 5.277 2.525 8.502 1.00 0.00 O ATOM 1203 CB SER A 83 2.705 2.780 9.706 1.00 0.00 C ATOM 1204 OG SER A 83 3.234 2.688 11.018 1.00 0.00 O ATOM 0 H SER A 83 2.001 5.436 8.489 1.00 0.00 H new ATOM 0 HA SER A 83 3.687 4.682 9.712 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.626 2.927 9.747 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.880 1.850 9.166 1.00 0.00 H new ATOM 0 HG SER A 83 2.617 2.180 11.585 1.00 0.00 H new ATOM 1209 N LEU A 84 5.085 4.386 7.275 1.00 0.00 N ATOM 1210 CA LEU A 84 6.231 4.068 6.442 1.00 0.00 C ATOM 1211 C LEU A 84 7.494 4.144 7.274 1.00 0.00 C ATOM 1212 O LEU A 84 7.737 5.140 7.957 1.00 0.00 O ATOM 1213 CB LEU A 84 6.287 5.003 5.226 1.00 0.00 C ATOM 1214 CG LEU A 84 5.522 4.362 4.061 1.00 0.00 C ATOM 1215 CD1 LEU A 84 5.045 5.430 3.085 1.00 0.00 C ATOM 1216 CD2 LEU A 84 6.409 3.326 3.353 1.00 0.00 C ATOM 0 H LEU A 84 4.634 5.273 7.048 1.00 0.00 H new ATOM 0 HA LEU A 84 6.137 3.052 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.850 5.970 5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.323 5.185 4.940 1.00 0.00 H new ATOM 0 HG LEU A 84 4.644 3.850 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.504 4.958 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.385 6.126 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.904 5.971 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.856 2.877 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.303 3.816 2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.698 2.549 4.061 1.00 0.00 H new ATOM 1227 N LYS A 85 8.334 3.110 7.198 1.00 0.00 N ATOM 1228 CA LYS A 85 9.650 3.172 7.819 1.00 0.00 C ATOM 1229 C LYS A 85 10.460 4.260 7.169 1.00 0.00 C ATOM 1230 O LYS A 85 10.374 4.502 5.966 1.00 0.00 O ATOM 1231 CB LYS A 85 10.418 1.857 7.750 1.00 0.00 C ATOM 1232 CG LYS A 85 9.647 0.743 8.437 1.00 0.00 C ATOM 1233 CD LYS A 85 10.572 -0.158 9.261 1.00 0.00 C ATOM 1234 CE LYS A 85 9.708 -1.226 9.924 1.00 0.00 C ATOM 1235 NZ LYS A 85 10.326 -1.759 11.154 1.00 0.00 N ATOM 0 H LYS A 85 8.127 2.233 6.719 1.00 0.00 H new ATOM 0 HA LYS A 85 9.488 3.385 8.876 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.599 1.591 6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.393 1.975 8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.885 1.174 9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.127 0.145 7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.326 -0.618 8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.104 0.425 10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.732 -0.804 10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.539 -2.042 9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.704 -2.481 11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.246 -2.186 10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.464 -0.986 11.836 1.00 0.00 H new ATOM 1245 N GLU A 86 11.332 4.849 7.957 1.00 0.00 N ATOM 1246 CA GLU A 86 12.108 6.002 7.509 1.00 0.00 C ATOM 1247 C GLU A 86 13.176 5.574 6.483 1.00 0.00 C ATOM 1248 O GLU A 86 13.585 6.362 5.624 1.00 0.00 O ATOM 1249 CB GLU A 86 12.649 6.761 8.731 1.00 0.00 C ATOM 1250 CG GLU A 86 12.834 8.254 8.414 1.00 0.00 C ATOM 1251 CD GLU A 86 13.017 9.127 9.661 1.00 0.00 C ATOM 1252 OE1 GLU A 86 12.414 8.845 10.724 1.00 0.00 O ATOM 1253 OE2 GLU A 86 13.751 10.136 9.566 1.00 0.00 O ATOM 0 H GLU A 86 11.527 4.554 8.914 1.00 0.00 H new ATOM 0 HA GLU A 86 11.476 6.708 6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.961 6.646 9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.602 6.330 9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.702 8.375 7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.967 8.609 7.856 1.00 0.00 H new ATOM 1258 N SER A 87 13.542 4.287 6.491 1.00 0.00 N ATOM 1259 CA SER A 87 14.405 3.629 5.509 1.00 0.00 C ATOM 1260 C SER A 87 13.713 3.455 4.143 1.00 0.00 C ATOM 1261 O SER A 87 14.379 3.188 3.141 1.00 0.00 O ATOM 1262 CB SER A 87 14.798 2.261 6.092 1.00 0.00 C ATOM 1263 OG SER A 87 15.851 1.625 5.397 1.00 0.00 O ATOM 0 H SER A 87 13.228 3.646 7.220 1.00 0.00 H new ATOM 0 HA SER A 87 15.283 4.249 5.326 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.090 2.391 7.134 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.925 1.609 6.085 1.00 0.00 H new ATOM 0 HG SER A 87 16.050 0.764 5.821 1.00 0.00 H new ATOM 1268 N ILE A 88 12.391 3.623 4.072 1.00 0.00 N ATOM 1269 CA ILE A 88 11.537 3.268 2.942 1.00 0.00 C ATOM 1270 C ILE A 88 10.900 4.550 2.419 1.00 0.00 C ATOM 1271 O ILE A 88 10.800 4.778 1.217 1.00 0.00 O ATOM 1272 CB ILE A 88 10.463 2.263 3.399 1.00 0.00 C ATOM 1273 CG1 ILE A 88 11.053 1.015 4.103 1.00 0.00 C ATOM 1274 CG2 ILE A 88 9.534 1.896 2.235 1.00 0.00 C ATOM 1275 CD1 ILE A 88 11.899 0.076 3.245 1.00 0.00 C ATOM 0 H ILE A 88 11.862 4.032 4.842 1.00 0.00 H new ATOM 0 HA ILE A 88 12.116 2.797 2.148 1.00 0.00 H new ATOM 0 HB ILE A 88 9.864 2.760 4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.664 1.354 4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 88 10.228 0.440 4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.783 1.185 2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 88 9.041 2.795 1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.118 1.447 1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.251 -0.756 3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.296 -0.308 2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.754 0.620 2.845 1.00 0.00 H new ATOM 1286 N SER A 89 10.532 5.439 3.330 1.00 0.00 N ATOM 1287 CA SER A 89 9.987 6.732 2.978 1.00 0.00 C ATOM 1288 C SER A 89 11.025 7.515 2.148 1.00 0.00 C ATOM 1289 O SER A 89 10.711 8.031 1.074 1.00 0.00 O ATOM 1290 CB SER A 89 9.496 7.457 4.238 1.00 0.00 C ATOM 1291 OG SER A 89 8.457 8.345 3.894 1.00 0.00 O ATOM 0 H SER A 89 10.605 5.279 4.335 1.00 0.00 H new ATOM 0 HA SER A 89 9.107 6.628 2.343 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.142 6.733 4.972 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.318 8.004 4.700 1.00 0.00 H new ATOM 0 HG SER A 89 8.142 8.807 4.699 1.00 0.00 H new ATOM 1296 N ARG A 90 12.307 7.498 2.556 1.00 0.00 N ATOM 1297 CA ARG A 90 13.416 7.987 1.724 1.00 0.00 C ATOM 1298 C ARG A 90 13.466 7.305 0.365 1.00 0.00 C ATOM 1299 O ARG A 90 13.787 7.966 -0.603 1.00 0.00 O ATOM 1300 CB ARG A 90 14.765 7.808 2.426 1.00 0.00 C ATOM 1301 CG ARG A 90 15.284 6.365 2.351 1.00 0.00 C ATOM 1302 CD ARG A 90 16.425 6.131 3.304 1.00 0.00 C ATOM 1303 NE ARG A 90 17.706 6.656 2.810 1.00 0.00 N ATOM 1304 CZ ARG A 90 18.277 7.830 3.106 1.00 0.00 C ATOM 1305 NH1 ARG A 90 17.679 8.706 3.907 1.00 0.00 N ATOM 1306 NH2 ARG A 90 19.466 8.109 2.593 1.00 0.00 N ATOM 0 H ARG A 90 12.600 7.146 3.468 1.00 0.00 H new ATOM 0 HA ARG A 90 13.227 9.049 1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.497 8.477 1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.668 8.101 3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.472 5.674 2.579 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.610 6.148 1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.193 6.598 4.261 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.524 5.061 3.487 1.00 0.00 H new ATOM 0 HE ARG A 90 18.220 6.055 2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.767 8.489 4.309 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.132 9.595 4.119 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.930 7.435 1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.918 8.998 2.807 1.00 0.00 H new ATOM 1317 N ILE A 91 13.223 5.999 0.283 1.00 0.00 N ATOM 1318 CA ILE A 91 13.407 5.216 -0.923 1.00 0.00 C ATOM 1319 C ILE A 91 12.400 5.741 -1.939 1.00 0.00 C ATOM 1320 O ILE A 91 12.774 6.096 -3.054 1.00 0.00 O ATOM 1321 CB ILE A 91 13.223 3.717 -0.565 1.00 0.00 C ATOM 1322 CG1 ILE A 91 14.587 3.081 -0.267 1.00 0.00 C ATOM 1323 CG2 ILE A 91 12.431 2.911 -1.606 1.00 0.00 C ATOM 1324 CD1 ILE A 91 14.441 1.647 0.252 1.00 0.00 C ATOM 0 H ILE A 91 12.886 5.450 1.073 1.00 0.00 H new ATOM 0 HA ILE A 91 14.403 5.305 -1.358 1.00 0.00 H new ATOM 0 HB ILE A 91 12.605 3.684 0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.194 3.081 -1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.116 3.683 0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.349 1.875 -1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.434 3.337 -1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.948 2.948 -2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.428 1.230 0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.856 1.651 1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.935 1.039 -0.498 1.00 0.00 H new ATOM 1335 N LEU A 92 11.132 5.848 -1.531 1.00 0.00 N ATOM 1336 CA LEU A 92 10.078 6.378 -2.376 1.00 0.00 C ATOM 1337 C LEU A 92 10.469 7.793 -2.788 1.00 0.00 C ATOM 1338 O LEU A 92 10.389 8.141 -3.956 1.00 0.00 O ATOM 1339 CB LEU A 92 8.738 6.383 -1.630 1.00 0.00 C ATOM 1340 CG LEU A 92 8.257 4.979 -1.209 1.00 0.00 C ATOM 1341 CD1 LEU A 92 7.260 5.084 -0.052 1.00 0.00 C ATOM 1342 CD2 LEU A 92 7.655 4.194 -2.385 1.00 0.00 C ATOM 0 H LEU A 92 10.815 5.567 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 92 9.957 5.752 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.829 7.008 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.980 6.842 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 92 9.130 4.420 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.929 4.086 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.740 5.566 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.400 5.675 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.331 3.212 -2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.800 4.738 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.407 4.074 -3.165 1.00 0.00 H new ATOM 1353 N LYS A 93 10.924 8.628 -1.855 1.00 0.00 N ATOM 1354 CA LYS A 93 11.286 10.010 -2.118 1.00 0.00 C ATOM 1355 C LYS A 93 12.399 10.111 -3.166 1.00 0.00 C ATOM 1356 O LYS A 93 12.268 10.847 -4.147 1.00 0.00 O ATOM 1357 CB LYS A 93 11.634 10.604 -0.752 1.00 0.00 C ATOM 1358 CG LYS A 93 12.329 11.944 -0.870 1.00 0.00 C ATOM 1359 CD LYS A 93 11.982 12.838 0.320 1.00 0.00 C ATOM 1360 CE LYS A 93 12.636 14.211 0.170 1.00 0.00 C ATOM 1361 NZ LYS A 93 12.260 15.115 1.273 1.00 0.00 N ATOM 0 H LYS A 93 11.052 8.354 -0.881 1.00 0.00 H new ATOM 0 HA LYS A 93 10.474 10.582 -2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.723 10.720 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.276 9.910 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.408 11.797 -0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.032 12.433 -1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.900 12.951 0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.318 12.368 1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.720 14.098 0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.340 14.654 -0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.722 16.037 1.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.228 15.242 1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.565 14.704 2.178 1.00 0.00 H new ATOM 1371 N LEU A 94 13.456 9.331 -2.968 1.00 0.00 N ATOM 1372 CA LEU A 94 14.631 9.195 -3.810 1.00 0.00 C ATOM 1373 C LEU A 94 14.216 8.797 -5.215 1.00 0.00 C ATOM 1374 O LEU A 94 14.499 9.515 -6.168 1.00 0.00 O ATOM 1375 CB LEU A 94 15.574 8.150 -3.179 1.00 0.00 C ATOM 1376 CG LEU A 94 16.445 8.724 -2.048 1.00 0.00 C ATOM 1377 CD1 LEU A 94 17.124 7.592 -1.271 1.00 0.00 C ATOM 1378 CD2 LEU A 94 17.513 9.683 -2.570 1.00 0.00 C ATOM 0 H LEU A 94 13.514 8.730 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 94 15.160 10.145 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 94 14.980 7.324 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.221 7.739 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 94 15.779 9.283 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 94 17.737 8.014 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 94 16.364 6.941 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 94 17.755 7.014 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 94 18.102 10.062 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.167 9.156 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.034 10.517 -3.083 1.00 0.00 H new ATOM 1389 N THR A 95 13.487 7.693 -5.359 1.00 0.00 N ATOM 1390 CA THR A 95 13.003 7.204 -6.648 1.00 0.00 C ATOM 1391 C THR A 95 11.792 8.001 -7.156 1.00 0.00 C ATOM 1392 O THR A 95 11.173 7.651 -8.157 1.00 0.00 O ATOM 1393 CB THR A 95 12.765 5.682 -6.546 1.00 0.00 C ATOM 1394 OG1 THR A 95 13.740 5.091 -5.699 1.00 0.00 O ATOM 1395 CG2 THR A 95 12.895 4.983 -7.902 1.00 0.00 C ATOM 0 H THR A 95 13.212 7.104 -4.573 1.00 0.00 H new ATOM 0 HA THR A 95 13.761 7.368 -7.414 1.00 0.00 H new ATOM 0 HB THR A 95 11.754 5.558 -6.158 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.470 5.200 -4.763 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.719 3.914 -7.779 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.161 5.394 -8.595 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.898 5.142 -8.299 1.00 0.00 H new ATOM 1403 N HIS A 96 11.482 9.123 -6.504 1.00 0.00 N ATOM 1404 CA HIS A 96 10.461 10.095 -6.856 1.00 0.00 C ATOM 1405 C HIS A 96 9.038 9.545 -6.769 1.00 0.00 C ATOM 1406 O HIS A 96 8.136 10.154 -7.316 1.00 0.00 O ATOM 1407 CB HIS A 96 10.687 10.726 -8.245 1.00 0.00 C ATOM 1408 CG HIS A 96 12.123 10.758 -8.731 1.00 0.00 C ATOM 1409 ND1 HIS A 96 13.229 11.287 -8.083 1.00 0.00 N ATOM 1410 CD2 HIS A 96 12.571 10.084 -9.835 1.00 0.00 C ATOM 1411 CE1 HIS A 96 14.320 10.950 -8.796 1.00 0.00 C ATOM 1412 NE2 HIS A 96 13.943 10.220 -9.863 1.00 0.00 N ATOM 0 H HIS A 96 11.979 9.390 -5.654 1.00 0.00 H new ATOM 0 HA HIS A 96 10.564 10.874 -6.100 1.00 0.00 H new ATOM 0 HB2 HIS A 96 10.089 10.178 -8.973 1.00 0.00 H new ATOM 0 HB3 HIS A 96 10.307 11.748 -8.225 1.00 0.00 H new ATOM 0 HD2 HIS A 96 11.964 9.547 -10.549 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.336 11.222 -8.551 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.566 9.833 -10.572 1.00 0.00 H new ATOM 1420 N LEU A 97 8.815 8.422 -6.099 1.00 0.00 N ATOM 1421 CA LEU A 97 7.522 7.822 -5.815 1.00 0.00 C ATOM 1422 C LEU A 97 6.779 8.612 -4.745 1.00 0.00 C ATOM 1423 O LEU A 97 5.552 8.623 -4.755 1.00 0.00 O ATOM 1424 CB LEU A 97 7.788 6.395 -5.301 1.00 0.00 C ATOM 1425 CG LEU A 97 7.770 5.253 -6.322 1.00 0.00 C ATOM 1426 CD1 LEU A 97 6.339 4.806 -6.552 1.00 0.00 C ATOM 1427 CD2 LEU A 97 8.446 5.546 -7.655 1.00 0.00 C ATOM 0 H LEU A 97 9.584 7.872 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 97 6.907 7.817 -6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.762 6.391 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.046 6.171 -4.535 1.00 0.00 H new ATOM 0 HG LEU A 97 8.372 4.460 -5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.324 3.993 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.910 4.460 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.753 5.643 -6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.374 4.670 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.953 6.391 -8.135 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.496 5.786 -7.486 1.00 0.00 H new ATOM 1438 N ASP A 98 7.463 9.244 -3.787 1.00 0.00 N ATOM 1439 CA ASP A 98 6.747 9.920 -2.695 1.00 0.00 C ATOM 1440 C ASP A 98 6.050 11.180 -3.211 1.00 0.00 C ATOM 1441 O ASP A 98 4.894 11.411 -2.866 1.00 0.00 O ATOM 1442 CB ASP A 98 7.623 10.125 -1.449 1.00 0.00 C ATOM 1443 CG ASP A 98 7.905 11.583 -1.102 1.00 0.00 C ATOM 1444 OD1 ASP A 98 8.663 12.225 -1.859 1.00 0.00 O ATOM 1445 OD2 ASP A 98 7.422 12.055 -0.046 1.00 0.00 O ATOM 0 H ASP A 98 8.480 9.303 -3.741 1.00 0.00 H new ATOM 0 HA ASP A 98 5.953 9.263 -2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.136 9.650 -0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.572 9.611 -1.600 1.00 0.00 H new ATOM 1449 N LYS A 99 6.671 11.907 -4.151 1.00 0.00 N ATOM 1450 CA LYS A 99 6.100 13.095 -4.786 1.00 0.00 C ATOM 1451 C LYS A 99 4.851 12.827 -5.645 1.00 0.00 C ATOM 1452 O LYS A 99 4.301 13.781 -6.198 1.00 0.00 O ATOM 1453 CB LYS A 99 7.187 13.854 -5.576 1.00 0.00 C ATOM 1454 CG LYS A 99 7.784 13.042 -6.719 1.00 0.00 C ATOM 1455 CD LYS A 99 8.080 13.829 -8.007 1.00 0.00 C ATOM 1456 CE LYS A 99 9.332 14.718 -7.950 1.00 0.00 C ATOM 1457 NZ LYS A 99 9.095 16.064 -7.391 1.00 0.00 N ATOM 0 H LYS A 99 7.603 11.678 -4.495 1.00 0.00 H new ATOM 0 HA LYS A 99 5.738 13.726 -3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.759 14.772 -5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.984 14.146 -4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.711 12.586 -6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.099 12.229 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.191 13.122 -8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.218 14.455 -8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.092 14.217 -7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.736 14.821 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.986 16.600 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.393 16.563 -7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.738 15.978 -6.418 1.00 0.00 H new ATOM 1467 N ILE A 100 4.427 11.574 -5.810 1.00 0.00 N ATOM 1468 CA ILE A 100 3.360 11.141 -6.708 1.00 0.00 C ATOM 1469 C ILE A 100 2.369 10.207 -5.996 1.00 0.00 C ATOM 1470 O ILE A 100 1.454 9.670 -6.620 1.00 0.00 O ATOM 1471 CB ILE A 100 3.976 10.516 -7.986 1.00 0.00 C ATOM 1472 CG1 ILE A 100 5.057 9.466 -7.713 1.00 0.00 C ATOM 1473 CG2 ILE A 100 4.512 11.624 -8.917 1.00 0.00 C ATOM 1474 CD1 ILE A 100 5.652 8.826 -8.976 1.00 0.00 C ATOM 0 H ILE A 100 4.840 10.796 -5.295 1.00 0.00 H new ATOM 0 HA ILE A 100 2.774 12.007 -7.016 1.00 0.00 H new ATOM 0 HB ILE A 100 3.166 9.978 -8.479 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.861 9.930 -7.142 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.634 8.680 -7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.942 11.172 -9.811 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.695 12.286 -9.203 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.279 12.198 -8.396 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.409 8.095 -8.691 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.862 8.330 -9.539 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.108 9.599 -9.595 1.00 0.00 H new ATOM 1485 N PHE A 101 2.531 9.997 -4.692 1.00 0.00 N ATOM 1486 CA PHE A 101 1.719 9.153 -3.817 1.00 0.00 C ATOM 1487 C PHE A 101 1.226 10.021 -2.650 1.00 0.00 C ATOM 1488 O PHE A 101 1.438 11.241 -2.636 1.00 0.00 O ATOM 1489 CB PHE A 101 2.615 8.008 -3.314 1.00 0.00 C ATOM 1490 CG PHE A 101 2.794 6.760 -4.169 1.00 0.00 C ATOM 1491 CD1 PHE A 101 2.958 6.793 -5.563 1.00 0.00 C ATOM 1492 CD2 PHE A 101 2.925 5.521 -3.526 1.00 0.00 C ATOM 1493 CE1 PHE A 101 3.194 5.621 -6.286 1.00 0.00 C ATOM 1494 CE2 PHE A 101 3.178 4.345 -4.229 1.00 0.00 C ATOM 1495 CZ PHE A 101 3.278 4.403 -5.615 1.00 0.00 C ATOM 0 H PHE A 101 3.291 10.446 -4.180 1.00 0.00 H new ATOM 0 HA PHE A 101 0.856 8.732 -4.333 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.606 8.425 -3.134 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.224 7.688 -2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.901 7.737 -6.084 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.827 5.477 -2.451 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.311 5.659 -7.359 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.294 3.406 -3.708 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.423 3.493 -6.178 1.00 0.00 H new ATOM 1504 N LYS A 102 0.573 9.406 -1.661 1.00 0.00 N ATOM 1505 CA LYS A 102 0.393 9.979 -0.334 1.00 0.00 C ATOM 1506 C LYS A 102 0.959 9.076 0.733 1.00 0.00 C ATOM 1507 O LYS A 102 0.819 7.855 0.658 1.00 0.00 O ATOM 1508 CB LYS A 102 -1.078 10.330 -0.062 1.00 0.00 C ATOM 1509 CG LYS A 102 -1.232 11.176 1.227 1.00 0.00 C ATOM 1510 CD LYS A 102 -2.420 12.142 1.200 1.00 0.00 C ATOM 1511 CE LYS A 102 -3.776 11.493 1.474 1.00 0.00 C ATOM 1512 NZ LYS A 102 -4.873 12.417 1.133 1.00 0.00 N ATOM 0 H LYS A 102 0.150 8.484 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 102 0.954 10.913 -0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.484 10.881 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.660 9.413 0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.342 10.505 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.317 11.746 1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.251 12.925 1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.455 12.627 0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.871 10.577 0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.844 11.211 2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.786 11.958 1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.791 13.280 1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.817 12.666 0.125 1.00 0.00 H new ATOM 1522 N ILE A 103 1.589 9.705 1.712 1.00 0.00 N ATOM 1523 CA ILE A 103 2.243 9.089 2.835 1.00 0.00 C ATOM 1524 C ILE A 103 1.669 9.770 4.077 1.00 0.00 C ATOM 1525 O ILE A 103 1.413 10.975 4.042 1.00 0.00 O ATOM 1526 CB ILE A 103 3.780 9.259 2.698 1.00 0.00 C ATOM 1527 CG1 ILE A 103 4.372 8.439 1.523 1.00 0.00 C ATOM 1528 CG2 ILE A 103 4.481 8.859 4.008 1.00 0.00 C ATOM 1529 CD1 ILE A 103 4.390 9.167 0.173 1.00 0.00 C ATOM 0 H ILE A 103 1.656 10.722 1.737 1.00 0.00 H new ATOM 0 HA ILE A 103 2.069 8.015 2.897 1.00 0.00 H new ATOM 0 HB ILE A 103 3.959 10.313 2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.392 8.151 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.798 7.519 1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.558 8.983 3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.124 9.493 4.820 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.258 7.817 4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.821 8.515 -0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.372 9.431 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.990 10.073 0.256 1.00 0.00 H new ATOM 1540 N THR A 104 1.522 9.036 5.175 1.00 0.00 N ATOM 1541 CA THR A 104 1.194 9.562 6.491 1.00 0.00 C ATOM 1542 C THR A 104 2.068 8.905 7.560 1.00 0.00 C ATOM 1543 O THR A 104 3.088 8.278 7.255 1.00 0.00 O ATOM 1544 CB THR A 104 -0.325 9.495 6.732 1.00 0.00 C ATOM 1545 OG1 THR A 104 -0.856 8.188 6.663 1.00 0.00 O ATOM 1546 CG2 THR A 104 -1.115 10.398 5.783 1.00 0.00 C ATOM 0 H THR A 104 1.632 8.022 5.170 1.00 0.00 H new ATOM 0 HA THR A 104 1.435 10.623 6.553 1.00 0.00 H new ATOM 0 HB THR A 104 -0.442 9.856 7.754 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.257 7.952 7.525 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.180 10.310 5.999 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.801 11.433 5.920 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.928 10.096 4.753 1.00 0.00 H new ATOM 1554 N ASP A 105 1.686 9.112 8.817 1.00 0.00 N ATOM 1555 CA ASP A 105 2.429 8.819 10.029 1.00 0.00 C ATOM 1556 C ASP A 105 1.628 7.795 10.815 1.00 0.00 C ATOM 1557 O ASP A 105 2.151 6.748 11.179 1.00 0.00 O ATOM 1558 CB ASP A 105 2.601 10.076 10.895 1.00 0.00 C ATOM 1559 CG ASP A 105 3.765 10.973 10.483 1.00 0.00 C ATOM 1560 OD1 ASP A 105 4.747 10.464 9.888 1.00 0.00 O ATOM 1561 OD2 ASP A 105 3.670 12.208 10.677 1.00 0.00 O ATOM 0 H ASP A 105 0.776 9.522 9.026 1.00 0.00 H new ATOM 0 HA ASP A 105 3.420 8.449 9.766 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.680 10.657 10.857 1.00 0.00 H new ATOM 0 HB3 ASP A 105 2.743 9.771 11.932 1.00 0.00 H new ATOM 1565 N THR A 106 0.314 8.028 10.928 1.00 0.00 N ATOM 1566 CA THR A 106 -0.663 7.068 11.417 1.00 0.00 C ATOM 1567 C THR A 106 -1.691 6.804 10.316 1.00 0.00 C ATOM 1568 O THR A 106 -2.009 7.686 9.509 1.00 0.00 O ATOM 1569 CB THR A 106 -1.313 7.606 12.699 1.00 0.00 C ATOM 1570 OG1 THR A 106 -1.875 8.888 12.488 1.00 0.00 O ATOM 1571 CG2 THR A 106 -0.283 7.712 13.816 1.00 0.00 C ATOM 0 H THR A 106 -0.104 8.922 10.671 1.00 0.00 H new ATOM 0 HA THR A 106 -0.184 6.121 11.667 1.00 0.00 H new ATOM 0 HB THR A 106 -2.100 6.906 12.980 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.284 9.207 13.320 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.762 8.095 14.717 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.136 6.727 14.019 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.514 8.390 13.512 1.00 0.00 H new ATOM 1579 N VAL A 107 -2.224 5.587 10.274 1.00 0.00 N ATOM 1580 CA VAL A 107 -3.319 5.184 9.392 1.00 0.00 C ATOM 1581 C VAL A 107 -4.542 6.092 9.615 1.00 0.00 C ATOM 1582 O VAL A 107 -5.364 6.312 8.722 1.00 0.00 O ATOM 1583 CB VAL A 107 -3.614 3.723 9.758 1.00 0.00 C ATOM 1584 CG1 VAL A 107 -4.996 3.195 9.389 1.00 0.00 C ATOM 1585 CG2 VAL A 107 -2.558 2.748 9.241 1.00 0.00 C ATOM 0 H VAL A 107 -1.896 4.828 10.872 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.064 5.277 8.336 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.584 3.766 10.847 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -5.082 2.153 9.699 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.759 3.788 9.894 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.136 3.266 8.310 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.826 1.733 9.534 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.506 2.811 8.154 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.587 3.004 9.666 1.00 0.00 H new ATOM 1595 N GLU A 108 -4.667 6.631 10.824 1.00 0.00 N ATOM 1596 CA GLU A 108 -5.671 7.617 11.184 1.00 0.00 C ATOM 1597 C GLU A 108 -5.585 8.827 10.260 1.00 0.00 C ATOM 1598 O GLU A 108 -6.604 9.241 9.716 1.00 0.00 O ATOM 1599 CB GLU A 108 -5.445 8.072 12.622 1.00 0.00 C ATOM 1600 CG GLU A 108 -5.687 6.966 13.645 1.00 0.00 C ATOM 1601 CD GLU A 108 -5.409 7.515 15.037 1.00 0.00 C ATOM 1602 OE1 GLU A 108 -4.224 7.557 15.447 1.00 0.00 O ATOM 1603 OE2 GLU A 108 -6.374 7.930 15.718 1.00 0.00 O ATOM 0 H GLU A 108 -4.053 6.384 11.600 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.657 7.162 11.086 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.423 8.437 12.725 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.106 8.911 12.839 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.715 6.609 13.579 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.040 6.114 13.439 1.00 0.00 H new ATOM 1608 N GLU A 109 -4.383 9.369 10.065 1.00 0.00 N ATOM 1609 CA GLU A 109 -4.136 10.600 9.326 1.00 0.00 C ATOM 1610 C GLU A 109 -4.391 10.424 7.824 1.00 0.00 C ATOM 1611 O GLU A 109 -4.542 11.409 7.097 1.00 0.00 O ATOM 1612 CB GLU A 109 -2.663 10.979 9.538 1.00 0.00 C ATOM 1613 CG GLU A 109 -2.333 12.397 9.062 1.00 0.00 C ATOM 1614 CD GLU A 109 -1.795 13.242 10.208 1.00 0.00 C ATOM 1615 OE1 GLU A 109 -0.565 13.214 10.449 1.00 0.00 O ATOM 1616 OE2 GLU A 109 -2.600 13.990 10.812 1.00 0.00 O ATOM 0 H GLU A 109 -3.529 8.947 10.430 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.813 11.374 9.689 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.420 10.892 10.597 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.031 10.267 9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.596 12.354 8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.227 12.864 8.649 1.00 0.00 H new ATOM 1621 N ALA A 110 -4.364 9.177 7.347 1.00 0.00 N ATOM 1622 CA ALA A 110 -4.532 8.846 5.946 1.00 0.00 C ATOM 1623 C ALA A 110 -5.951 9.166 5.517 1.00 0.00 C ATOM 1624 O ALA A 110 -6.121 10.225 4.880 1.00 0.00 O ATOM 1625 CB ALA A 110 -4.201 7.377 5.726 1.00 0.00 C ATOM 0 H ALA A 110 -4.222 8.360 7.942 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.851 9.440 5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.328 7.129 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.169 7.188 6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.869 6.760 6.327 1.00 0.00 H new