USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1027 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 120 SER OG : rot -167:sc= -0.228 USER MOD Set 1.2: A 130 HIS :FLIP no HD1:sc= -11.3! C(o=-15!,f=-12!) USER MOD Set 2.1: A 69 ASN : amide:sc= -4.86! C(o=-7.9!,f=-15!) USER MOD Set 2.2: A 97 GLN : amide:sc= -3.08 K(o=-7.9,f=-12!) USER MOD Set 3.1: A 5 LYS NZ :NH3+ -157:sc= -0.0736 (180deg=-0.623) USER MOD Set 3.2: A 13 GLN : amide:sc= -0.229 X(o=-0.3,f=-0.08) USER MOD Set 4.1: A 6 SER OG : rot 180:sc= 0.0944 USER MOD Set 4.2: A 8 HIS : no HE2:sc= -2.36! K(o=-2.3!,f=-3.2) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -142:sc= -1.67! (180deg=-2.08!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 22 SER OG : rot 88:sc= 0.632 USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= -1.12 (180deg=-1.14) USER MOD Single : A 34 THR OG1 : rot -36:sc= 0.316 USER MOD Single : A 35 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.25) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 45 THR OG1 : rot 93:sc= 0.186 USER MOD Single : A 46 ASN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 53 THR OG1 : rot 121:sc= 0.11 USER MOD Single : A 54 SER OG : rot 180:sc= 0.155 USER MOD Single : A 57 LYS NZ :NH3+ -130:sc= -1.13 (180deg=-3.47!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0307 X(o=-0.031,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.115 F(o=-1.6!,f=-0.11) USER MOD Single : A 73 TYR OH : rot -117:sc= 0.775 USER MOD Single : A 74 HIS : no HE2:sc= -4.47! C(o=-4.5!,f=-8.1!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.643 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0653 USER MOD Single : A 91 ASN : amide:sc= -1.78 K(o=-1.8,f=-3.5!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -61:sc= -0.422 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00228) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0462 K(o=-0.046,f=-1.7!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.0833 X(o=-0.083,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -92:sc= 0.437 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 179:sc= -0.0123 (180deg=-0.0152) USER MOD Single : A 124 THR OG1 : rot -34:sc= -0.672 USER MOD Single : A 125 THR OG1 : rot 9:sc= 0.518! USER MOD Single : A 126 ASN :FLIP amide:sc= -3.38! C(o=-6.5!,f=-3.4!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 5 -13.788 10.814 2.493 1.00 0.00 N ATOM 51 CA LYS A 5 -12.988 10.122 1.487 1.00 0.00 C ATOM 52 C LYS A 5 -12.369 8.857 2.070 1.00 0.00 C ATOM 53 O LYS A 5 -11.284 8.896 2.654 1.00 0.00 O ATOM 54 CB LYS A 5 -11.882 11.048 0.976 1.00 0.00 C ATOM 55 CG LYS A 5 -12.493 12.136 0.091 1.00 0.00 C ATOM 56 CD LYS A 5 -12.217 11.813 -1.378 1.00 0.00 C ATOM 57 CE LYS A 5 -12.895 12.858 -2.267 1.00 0.00 C ATOM 58 NZ LYS A 5 -14.373 12.770 -2.101 1.00 0.00 N ATOM 0 HA LYS A 5 -13.640 9.842 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.356 11.501 1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.147 10.476 0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.567 12.200 0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.070 13.108 0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.143 11.804 -1.564 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.591 10.818 -1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.548 13.857 -2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.625 12.693 -3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.841 13.168 -2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.651 11.774 -1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.660 13.306 -1.258 1.00 0.00 H new ATOM 72 N SER A 6 -13.065 7.735 1.908 1.00 0.00 N ATOM 73 CA SER A 6 -12.576 6.464 2.423 1.00 0.00 C ATOM 74 C SER A 6 -11.463 5.923 1.542 1.00 0.00 C ATOM 75 O SER A 6 -11.199 6.451 0.462 1.00 0.00 O ATOM 76 CB SER A 6 -13.716 5.450 2.493 1.00 0.00 C ATOM 77 OG SER A 6 -14.931 6.085 2.120 1.00 0.00 O ATOM 0 H SER A 6 -13.963 7.682 1.427 1.00 0.00 H new ATOM 0 HA SER A 6 -12.181 6.630 3.425 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.512 4.610 1.829 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.798 5.046 3.502 1.00 0.00 H new ATOM 0 HG SER A 6 -15.665 5.437 2.162 1.00 0.00 H new ATOM 83 N LEU A 7 -10.800 4.876 2.017 1.00 0.00 N ATOM 84 CA LEU A 7 -9.704 4.291 1.267 1.00 0.00 C ATOM 85 C LEU A 7 -10.144 3.940 -0.154 1.00 0.00 C ATOM 86 O LEU A 7 -9.658 4.517 -1.126 1.00 0.00 O ATOM 87 CB LEU A 7 -9.209 3.022 1.968 1.00 0.00 C ATOM 88 CG LEU A 7 -9.033 3.291 3.466 1.00 0.00 C ATOM 89 CD1 LEU A 7 -8.539 2.024 4.161 1.00 0.00 C ATOM 90 CD2 LEU A 7 -8.007 4.403 3.665 1.00 0.00 C ATOM 0 H LEU A 7 -11.001 4.421 2.908 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.899 5.024 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.921 2.211 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.262 2.701 1.533 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.990 3.591 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.415 2.218 5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.267 1.225 4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.583 1.724 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.881 4.595 4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.052 4.098 3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.354 5.311 3.171 1.00 0.00 H new ATOM 102 N HIS A 8 -11.076 2.997 -0.263 1.00 0.00 N ATOM 103 CA HIS A 8 -11.575 2.578 -1.569 1.00 0.00 C ATOM 104 C HIS A 8 -12.089 3.778 -2.352 1.00 0.00 C ATOM 105 O HIS A 8 -11.811 3.921 -3.543 1.00 0.00 O ATOM 106 CB HIS A 8 -12.698 1.555 -1.398 1.00 0.00 C ATOM 107 CG HIS A 8 -13.562 1.946 -0.231 1.00 0.00 C ATOM 108 ND1 HIS A 8 -14.664 2.776 -0.371 1.00 0.00 N ATOM 109 CD2 HIS A 8 -13.504 1.623 1.102 1.00 0.00 C ATOM 110 CE1 HIS A 8 -15.216 2.926 0.847 1.00 0.00 C ATOM 111 NE2 HIS A 8 -14.550 2.242 1.781 1.00 0.00 N ATOM 0 H HIS A 8 -11.498 2.512 0.529 1.00 0.00 H new ATOM 0 HA HIS A 8 -10.754 2.122 -2.122 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -13.298 1.503 -2.307 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.278 0.562 -1.236 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -14.996 3.196 -1.239 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -12.760 0.985 1.555 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.091 3.527 1.045 1.00 0.00 H new ATOM 120 N GLU A 9 -12.834 4.640 -1.673 1.00 0.00 N ATOM 121 CA GLU A 9 -13.379 5.830 -2.311 1.00 0.00 C ATOM 122 C GLU A 9 -12.290 6.552 -3.096 1.00 0.00 C ATOM 123 O GLU A 9 -12.481 6.916 -4.259 1.00 0.00 O ATOM 124 CB GLU A 9 -13.951 6.769 -1.249 1.00 0.00 C ATOM 125 CG GLU A 9 -15.478 6.746 -1.315 1.00 0.00 C ATOM 126 CD GLU A 9 -15.953 7.405 -2.605 1.00 0.00 C ATOM 127 OE1 GLU A 9 -17.045 7.082 -3.043 1.00 0.00 O ATOM 128 OE2 GLU A 9 -15.218 8.221 -3.136 1.00 0.00 O ATOM 0 H GLU A 9 -13.074 4.539 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.172 5.530 -2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.615 6.462 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.585 7.783 -1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.837 5.718 -1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.896 7.269 -0.454 1.00 0.00 H new ATOM 135 N LYS A 10 -11.143 6.754 -2.455 1.00 0.00 N ATOM 136 CA LYS A 10 -10.031 7.427 -3.108 1.00 0.00 C ATOM 137 C LYS A 10 -9.555 6.614 -4.304 1.00 0.00 C ATOM 138 O LYS A 10 -9.435 7.136 -5.411 1.00 0.00 O ATOM 139 CB LYS A 10 -8.872 7.610 -2.125 1.00 0.00 C ATOM 140 CG LYS A 10 -7.818 8.559 -2.720 1.00 0.00 C ATOM 141 CD LYS A 10 -8.279 10.019 -2.618 1.00 0.00 C ATOM 142 CE LYS A 10 -7.067 10.945 -2.757 1.00 0.00 C ATOM 143 NZ LYS A 10 -7.536 12.352 -2.896 1.00 0.00 N ATOM 0 H LYS A 10 -10.962 6.464 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.371 8.405 -3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.244 8.012 -1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.418 6.644 -1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.872 8.434 -2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.639 8.302 -3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.009 10.237 -3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.774 10.190 -1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.420 10.850 -1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.474 10.659 -3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.715 12.984 -2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.137 12.436 -3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.084 12.620 -2.054 1.00 0.00 H new ATOM 157 N LEU A 11 -9.283 5.332 -4.074 1.00 0.00 N ATOM 158 CA LEU A 11 -8.818 4.465 -5.152 1.00 0.00 C ATOM 159 C LEU A 11 -9.859 4.390 -6.265 1.00 0.00 C ATOM 160 O LEU A 11 -9.547 4.017 -7.396 1.00 0.00 O ATOM 161 CB LEU A 11 -8.521 3.060 -4.623 1.00 0.00 C ATOM 162 CG LEU A 11 -7.624 3.162 -3.385 1.00 0.00 C ATOM 163 CD1 LEU A 11 -7.253 1.763 -2.888 1.00 0.00 C ATOM 164 CD2 LEU A 11 -6.348 3.935 -3.731 1.00 0.00 C ATOM 0 H LEU A 11 -9.375 4.876 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.899 4.890 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.451 2.550 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.030 2.465 -5.393 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.167 3.689 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.615 1.847 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.160 1.217 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.719 1.228 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.714 4.005 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.810 3.414 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.610 4.937 -4.069 1.00 0.00 H new ATOM 176 N LYS A 12 -11.097 4.741 -5.937 1.00 0.00 N ATOM 177 CA LYS A 12 -12.173 4.705 -6.918 1.00 0.00 C ATOM 178 C LYS A 12 -12.137 5.943 -7.808 1.00 0.00 C ATOM 179 O LYS A 12 -12.334 5.855 -9.020 1.00 0.00 O ATOM 180 CB LYS A 12 -13.522 4.625 -6.204 1.00 0.00 C ATOM 181 CG LYS A 12 -14.178 3.276 -6.498 1.00 0.00 C ATOM 182 CD LYS A 12 -15.558 3.231 -5.842 1.00 0.00 C ATOM 183 CE LYS A 12 -15.672 1.978 -4.973 1.00 0.00 C ATOM 184 NZ LYS A 12 -15.258 0.785 -5.765 1.00 0.00 N ATOM 0 H LYS A 12 -11.378 5.051 -5.007 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.038 3.823 -7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.384 4.747 -5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.170 5.436 -6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.270 3.130 -7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.556 2.466 -6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.712 4.123 -5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.335 3.228 -6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.042 2.077 -4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.697 1.857 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.868 -0.021 -5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.347 0.994 -6.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.269 0.549 -5.546 1.00 0.00 H new ATOM 198 N GLN A 13 -11.890 7.097 -7.199 1.00 0.00 N ATOM 199 CA GLN A 13 -11.838 8.347 -7.949 1.00 0.00 C ATOM 200 C GLN A 13 -10.444 8.577 -8.530 1.00 0.00 C ATOM 201 O GLN A 13 -10.234 9.506 -9.312 1.00 0.00 O ATOM 202 CB GLN A 13 -12.212 9.518 -7.036 1.00 0.00 C ATOM 203 CG GLN A 13 -13.722 9.752 -7.099 1.00 0.00 C ATOM 204 CD GLN A 13 -14.166 10.612 -5.921 1.00 0.00 C ATOM 205 OE1 GLN A 13 -14.786 11.658 -6.114 1.00 0.00 O ATOM 206 NE2 GLN A 13 -13.884 10.231 -4.706 1.00 0.00 N ATOM 0 H GLN A 13 -11.724 7.194 -6.197 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.550 8.281 -8.771 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.909 9.305 -6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.681 10.418 -7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -13.984 10.242 -8.037 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.247 8.797 -7.081 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.370 9.364 -4.550 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.177 10.800 -3.912 1.00 0.00 H new ATOM 215 N ASP A 14 -9.495 7.730 -8.141 1.00 0.00 N ATOM 216 CA ASP A 14 -8.125 7.856 -8.626 1.00 0.00 C ATOM 217 C ASP A 14 -7.891 6.953 -9.837 1.00 0.00 C ATOM 218 O ASP A 14 -7.759 5.733 -9.707 1.00 0.00 O ATOM 219 CB ASP A 14 -7.147 7.491 -7.510 1.00 0.00 C ATOM 220 CG ASP A 14 -6.754 8.741 -6.727 1.00 0.00 C ATOM 221 OD1 ASP A 14 -5.566 8.983 -6.592 1.00 0.00 O ATOM 222 OD2 ASP A 14 -7.648 9.436 -6.273 1.00 0.00 O ATOM 0 H ASP A 14 -9.648 6.955 -7.496 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.960 8.889 -8.931 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.603 6.762 -6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.258 7.023 -7.933 1.00 0.00 H new ATOM 227 N LYS A 15 -7.838 7.561 -11.018 1.00 0.00 N ATOM 228 CA LYS A 15 -7.617 6.803 -12.243 1.00 0.00 C ATOM 229 C LYS A 15 -6.265 6.096 -12.200 1.00 0.00 C ATOM 230 O LYS A 15 -6.053 5.100 -12.890 1.00 0.00 O ATOM 231 CB LYS A 15 -7.669 7.736 -13.450 1.00 0.00 C ATOM 232 CG LYS A 15 -7.553 6.910 -14.728 1.00 0.00 C ATOM 233 CD LYS A 15 -7.788 7.814 -15.936 1.00 0.00 C ATOM 234 CE LYS A 15 -7.738 6.981 -17.217 1.00 0.00 C ATOM 235 NZ LYS A 15 -9.124 6.747 -17.711 1.00 0.00 N ATOM 0 H LYS A 15 -7.944 8.567 -11.152 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.403 6.053 -12.331 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.603 8.299 -13.450 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.859 8.463 -13.398 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.566 6.451 -14.790 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.282 6.100 -14.718 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.755 8.309 -15.850 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.031 8.597 -15.970 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.152 7.498 -17.977 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.243 6.029 -17.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.091 6.180 -18.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.669 6.237 -16.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.581 7.660 -17.909 1.00 0.00 H new ATOM 249 N ARG A 16 -5.355 6.619 -11.384 1.00 0.00 N ATOM 250 CA ARG A 16 -4.024 6.034 -11.255 1.00 0.00 C ATOM 251 C ARG A 16 -4.090 4.716 -10.488 1.00 0.00 C ATOM 252 O ARG A 16 -3.251 3.834 -10.676 1.00 0.00 O ATOM 253 CB ARG A 16 -3.094 7.007 -10.523 1.00 0.00 C ATOM 254 CG ARG A 16 -3.884 8.230 -10.047 1.00 0.00 C ATOM 255 CD ARG A 16 -2.949 9.197 -9.316 1.00 0.00 C ATOM 256 NE ARG A 16 -2.438 10.197 -10.243 1.00 0.00 N ATOM 257 CZ ARG A 16 -1.651 11.181 -9.825 1.00 0.00 C ATOM 258 NH1 ARG A 16 -1.320 11.259 -8.566 1.00 0.00 N ATOM 259 NH2 ARG A 16 -1.215 12.072 -10.673 1.00 0.00 N ATOM 0 H ARG A 16 -5.513 7.443 -10.804 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.634 5.841 -12.254 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.631 6.509 -9.671 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.288 7.320 -11.186 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.346 8.730 -10.898 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.691 7.918 -9.384 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.483 9.685 -8.501 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.121 8.647 -8.870 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.689 10.140 -11.230 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.666 10.564 -7.904 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.715 12.015 -8.244 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.479 12.012 -11.656 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.610 12.828 -10.352 1.00 0.00 H new ATOM 273 N PHE A 17 -5.093 4.595 -9.624 1.00 0.00 N ATOM 274 CA PHE A 17 -5.271 3.386 -8.825 1.00 0.00 C ATOM 275 C PHE A 17 -6.521 2.628 -9.259 1.00 0.00 C ATOM 276 O PHE A 17 -6.909 1.637 -8.639 1.00 0.00 O ATOM 277 CB PHE A 17 -5.370 3.749 -7.341 1.00 0.00 C ATOM 278 CG PHE A 17 -4.373 4.842 -7.004 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.077 4.817 -7.543 1.00 0.00 C ATOM 280 CD2 PHE A 17 -4.747 5.883 -6.142 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.162 5.829 -7.219 1.00 0.00 C ATOM 282 CE2 PHE A 17 -3.832 6.894 -5.821 1.00 0.00 C ATOM 283 CZ PHE A 17 -2.540 6.867 -6.360 1.00 0.00 C ATOM 0 H PHE A 17 -5.794 5.317 -9.459 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.406 2.741 -8.981 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.381 4.083 -7.107 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.176 2.868 -6.729 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.784 4.018 -8.208 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.743 5.905 -5.725 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.165 5.807 -7.633 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.123 7.695 -5.157 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.835 7.647 -6.113 1.00 0.00 H new ATOM 293 N SER A 18 -7.141 3.087 -10.335 1.00 0.00 N ATOM 294 CA SER A 18 -8.332 2.422 -10.850 1.00 0.00 C ATOM 295 C SER A 18 -8.043 0.941 -11.108 1.00 0.00 C ATOM 296 O SER A 18 -8.858 0.059 -10.793 1.00 0.00 O ATOM 297 CB SER A 18 -8.759 3.086 -12.156 1.00 0.00 C ATOM 298 OG SER A 18 -9.349 2.113 -13.007 1.00 0.00 O ATOM 0 H SER A 18 -6.846 3.907 -10.865 1.00 0.00 H new ATOM 0 HA SER A 18 -9.130 2.506 -10.112 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.469 3.888 -11.954 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.897 3.539 -12.646 1.00 0.00 H new ATOM 0 HG SER A 18 -9.626 2.537 -13.846 1.00 0.00 H new ATOM 304 N THR A 19 -6.870 0.669 -11.679 1.00 0.00 N ATOM 305 CA THR A 19 -6.485 -0.708 -11.970 1.00 0.00 C ATOM 306 C THR A 19 -6.593 -1.560 -10.712 1.00 0.00 C ATOM 307 O THR A 19 -7.149 -2.663 -10.737 1.00 0.00 O ATOM 308 CB THR A 19 -5.049 -0.755 -12.497 1.00 0.00 C ATOM 309 OG1 THR A 19 -4.853 0.303 -13.425 1.00 0.00 O ATOM 310 CG2 THR A 19 -4.805 -2.096 -13.190 1.00 0.00 C ATOM 0 H THR A 19 -6.181 1.372 -11.945 1.00 0.00 H new ATOM 0 HA THR A 19 -7.159 -1.103 -12.730 1.00 0.00 H new ATOM 0 HB THR A 19 -4.351 -0.644 -11.667 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.933 0.276 -13.763 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.782 -2.131 -13.566 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.957 -2.907 -12.478 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.501 -2.208 -14.021 1.00 0.00 H new ATOM 318 N PHE A 20 -6.055 -1.041 -9.615 1.00 0.00 N ATOM 319 CA PHE A 20 -6.097 -1.757 -8.350 1.00 0.00 C ATOM 320 C PHE A 20 -7.530 -2.094 -7.992 1.00 0.00 C ATOM 321 O PHE A 20 -7.821 -3.186 -7.515 1.00 0.00 O ATOM 322 CB PHE A 20 -5.471 -0.917 -7.242 1.00 0.00 C ATOM 323 CG PHE A 20 -3.994 -1.220 -7.144 1.00 0.00 C ATOM 324 CD1 PHE A 20 -3.367 -1.226 -5.894 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.252 -1.500 -8.302 1.00 0.00 C ATOM 326 CE1 PHE A 20 -1.999 -1.508 -5.799 1.00 0.00 C ATOM 327 CE2 PHE A 20 -1.887 -1.780 -8.207 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.261 -1.787 -6.958 1.00 0.00 C ATOM 0 H PHE A 20 -5.589 -0.135 -9.577 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.527 -2.680 -8.455 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.622 0.143 -7.447 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.959 -1.130 -6.291 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.938 -1.013 -5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.737 -1.499 -9.267 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.513 -1.511 -4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.316 -1.991 -9.099 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.206 -2.008 -6.885 1.00 0.00 H new ATOM 338 N LEU A 21 -8.425 -1.156 -8.233 1.00 0.00 N ATOM 339 CA LEU A 21 -9.822 -1.383 -7.934 1.00 0.00 C ATOM 340 C LEU A 21 -10.325 -2.599 -8.698 1.00 0.00 C ATOM 341 O LEU A 21 -11.106 -3.387 -8.176 1.00 0.00 O ATOM 342 CB LEU A 21 -10.645 -0.150 -8.333 1.00 0.00 C ATOM 343 CG LEU A 21 -11.644 0.213 -7.225 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.550 -0.978 -6.928 1.00 0.00 C ATOM 345 CD2 LEU A 21 -10.894 0.593 -5.947 1.00 0.00 C ATOM 0 H LEU A 21 -8.212 -0.241 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.931 -1.561 -6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.980 0.693 -8.521 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.180 -0.348 -9.262 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.245 1.057 -7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.255 -0.711 -6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.099 -1.252 -7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.944 -1.823 -6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.611 0.849 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.285 -0.249 -5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.251 1.451 -6.144 1.00 0.00 H new ATOM 357 N SER A 22 -9.881 -2.751 -9.942 1.00 0.00 N ATOM 358 CA SER A 22 -10.327 -3.877 -10.756 1.00 0.00 C ATOM 359 C SER A 22 -9.815 -5.212 -10.224 1.00 0.00 C ATOM 360 O SER A 22 -10.596 -6.124 -9.964 1.00 0.00 O ATOM 361 CB SER A 22 -9.855 -3.686 -12.199 1.00 0.00 C ATOM 362 OG SER A 22 -9.012 -2.546 -12.266 1.00 0.00 O ATOM 0 H SER A 22 -9.224 -2.121 -10.402 1.00 0.00 H new ATOM 0 HA SER A 22 -11.416 -3.902 -10.714 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.318 -4.571 -12.539 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.712 -3.559 -12.861 1.00 0.00 H new ATOM 0 HG SER A 22 -8.086 -2.813 -12.086 1.00 0.00 H new ATOM 368 N LEU A 23 -8.497 -5.327 -10.089 1.00 0.00 N ATOM 369 CA LEU A 23 -7.882 -6.570 -9.620 1.00 0.00 C ATOM 370 C LEU A 23 -8.196 -6.856 -8.157 1.00 0.00 C ATOM 371 O LEU A 23 -8.481 -8.000 -7.789 1.00 0.00 O ATOM 372 CB LEU A 23 -6.357 -6.500 -9.817 1.00 0.00 C ATOM 373 CG LEU A 23 -5.806 -5.238 -9.129 1.00 0.00 C ATOM 374 CD1 LEU A 23 -5.235 -5.585 -7.751 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.691 -4.615 -9.972 1.00 0.00 C ATOM 0 H LEU A 23 -7.835 -4.579 -10.296 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.302 -7.385 -10.210 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.885 -7.390 -9.400 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.118 -6.481 -10.880 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.628 -4.531 -9.021 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.850 -4.681 -7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.021 -6.013 -7.129 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.427 -6.308 -7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.312 -3.724 -9.472 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.882 -5.335 -10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.084 -4.342 -10.951 1.00 0.00 H new ATOM 387 N LEU A 24 -8.136 -5.826 -7.318 1.00 0.00 N ATOM 388 CA LEU A 24 -8.403 -6.025 -5.895 1.00 0.00 C ATOM 389 C LEU A 24 -9.855 -6.396 -5.681 1.00 0.00 C ATOM 390 O LEU A 24 -10.181 -7.197 -4.804 1.00 0.00 O ATOM 391 CB LEU A 24 -8.016 -4.781 -5.094 1.00 0.00 C ATOM 392 CG LEU A 24 -9.193 -3.798 -5.004 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.184 -4.202 -3.908 1.00 0.00 C ATOM 394 CD2 LEU A 24 -8.653 -2.421 -4.659 1.00 0.00 C ATOM 0 H LEU A 24 -7.911 -4.868 -7.588 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.790 -6.850 -5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.703 -5.072 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.163 -4.291 -5.565 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.709 -3.801 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.003 -3.483 -3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.581 -5.194 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.675 -4.217 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.479 -1.713 -4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.133 -2.463 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.959 -2.097 -5.435 1.00 0.00 H new ATOM 406 N GLU A 25 -10.727 -5.830 -6.496 1.00 0.00 N ATOM 407 CA GLU A 25 -12.140 -6.137 -6.395 1.00 0.00 C ATOM 408 C GLU A 25 -12.405 -7.577 -6.842 1.00 0.00 C ATOM 409 O GLU A 25 -13.302 -8.243 -6.329 1.00 0.00 O ATOM 410 CB GLU A 25 -12.922 -5.171 -7.269 1.00 0.00 C ATOM 411 CG GLU A 25 -14.385 -5.573 -7.274 1.00 0.00 C ATOM 412 CD GLU A 25 -14.694 -6.380 -8.530 1.00 0.00 C ATOM 413 OE1 GLU A 25 -15.098 -5.776 -9.510 1.00 0.00 O ATOM 414 OE2 GLU A 25 -14.522 -7.586 -8.493 1.00 0.00 O ATOM 0 H GLU A 25 -10.484 -5.162 -7.228 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.458 -6.034 -5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.814 -4.153 -6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.527 -5.180 -8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.613 -6.163 -6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.016 -4.685 -7.237 1.00 0.00 H new ATOM 421 N ALA A 26 -11.608 -8.061 -7.786 1.00 0.00 N ATOM 422 CA ALA A 26 -11.763 -9.426 -8.268 1.00 0.00 C ATOM 423 C ALA A 26 -11.408 -10.423 -7.164 1.00 0.00 C ATOM 424 O ALA A 26 -12.032 -11.477 -7.046 1.00 0.00 O ATOM 425 CB ALA A 26 -10.862 -9.656 -9.482 1.00 0.00 C ATOM 0 H ALA A 26 -10.855 -7.534 -8.229 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.803 -9.578 -8.558 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.984 -10.679 -9.837 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.137 -8.962 -10.276 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.822 -9.491 -9.200 1.00 0.00 H new ATOM 431 N ALA A 27 -10.401 -10.084 -6.356 1.00 0.00 N ATOM 432 CA ALA A 27 -9.981 -10.965 -5.263 1.00 0.00 C ATOM 433 C ALA A 27 -10.898 -10.793 -4.046 1.00 0.00 C ATOM 434 O ALA A 27 -10.776 -11.522 -3.060 1.00 0.00 O ATOM 435 CB ALA A 27 -8.541 -10.648 -4.853 1.00 0.00 C ATOM 0 H ALA A 27 -9.867 -9.218 -6.435 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.044 -11.994 -5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.240 -11.309 -4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.879 -10.797 -5.706 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.477 -9.612 -4.521 1.00 0.00 H new ATOM 441 N ASP A 28 -11.809 -9.821 -4.129 1.00 0.00 N ATOM 442 CA ASP A 28 -12.742 -9.544 -3.035 1.00 0.00 C ATOM 443 C ASP A 28 -12.030 -8.820 -1.886 1.00 0.00 C ATOM 444 O ASP A 28 -12.199 -9.176 -0.719 1.00 0.00 O ATOM 445 CB ASP A 28 -13.360 -10.852 -2.525 1.00 0.00 C ATOM 446 CG ASP A 28 -13.558 -11.821 -3.687 1.00 0.00 C ATOM 447 OD1 ASP A 28 -13.063 -12.932 -3.597 1.00 0.00 O ATOM 448 OD2 ASP A 28 -14.201 -11.436 -4.649 1.00 0.00 O ATOM 0 H ASP A 28 -11.920 -9.214 -4.941 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.534 -8.898 -3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.712 -11.301 -1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.316 -10.649 -2.043 1.00 0.00 H new ATOM 453 N LEU A 29 -11.235 -7.801 -2.224 1.00 0.00 N ATOM 454 CA LEU A 29 -10.505 -7.036 -1.212 1.00 0.00 C ATOM 455 C LEU A 29 -11.157 -5.677 -0.999 1.00 0.00 C ATOM 456 O LEU A 29 -10.536 -4.732 -0.506 1.00 0.00 O ATOM 457 CB LEU A 29 -9.043 -6.861 -1.637 1.00 0.00 C ATOM 458 CG LEU A 29 -8.149 -7.848 -0.866 1.00 0.00 C ATOM 459 CD1 LEU A 29 -8.054 -7.468 0.610 1.00 0.00 C ATOM 460 CD2 LEU A 29 -8.719 -9.264 -0.971 1.00 0.00 C ATOM 0 H LEU A 29 -11.082 -7.489 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.536 -7.586 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.945 -7.030 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.720 -5.838 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.154 -7.809 -1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.416 -8.183 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.629 -6.469 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.049 -7.481 1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.079 -9.955 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.723 -9.284 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.761 -9.562 -2.018 1.00 0.00 H new ATOM 472 N LYS A 30 -12.420 -5.599 -1.378 1.00 0.00 N ATOM 473 CA LYS A 30 -13.186 -4.371 -1.243 1.00 0.00 C ATOM 474 C LYS A 30 -14.148 -4.451 -0.053 1.00 0.00 C ATOM 475 O LYS A 30 -14.482 -3.433 0.555 1.00 0.00 O ATOM 476 CB LYS A 30 -13.973 -4.076 -2.539 1.00 0.00 C ATOM 477 CG LYS A 30 -14.582 -5.349 -3.168 1.00 0.00 C ATOM 478 CD LYS A 30 -15.986 -5.605 -2.607 1.00 0.00 C ATOM 479 CE LYS A 30 -16.240 -7.113 -2.573 1.00 0.00 C ATOM 480 NZ LYS A 30 -15.818 -7.710 -3.874 1.00 0.00 N ATOM 0 H LYS A 30 -12.940 -6.376 -1.784 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.483 -3.558 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.771 -3.366 -2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.310 -3.600 -3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.631 -5.239 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.940 -6.206 -2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.073 -5.186 -1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.735 -5.111 -3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.686 -7.569 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.296 -7.312 -2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.035 -8.727 -3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.329 -7.245 -4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.795 -7.574 -4.003 1.00 0.00 H new ATOM 494 N GLU A 31 -14.603 -5.663 0.268 1.00 0.00 N ATOM 495 CA GLU A 31 -15.539 -5.860 1.376 1.00 0.00 C ATOM 496 C GLU A 31 -14.905 -5.467 2.703 1.00 0.00 C ATOM 497 O GLU A 31 -15.344 -4.533 3.355 1.00 0.00 O ATOM 498 CB GLU A 31 -15.963 -7.325 1.432 1.00 0.00 C ATOM 499 CG GLU A 31 -17.439 -7.449 1.054 1.00 0.00 C ATOM 500 CD GLU A 31 -17.850 -8.917 1.038 1.00 0.00 C ATOM 501 OE1 GLU A 31 -18.233 -9.416 2.083 1.00 0.00 O ATOM 502 OE2 GLU A 31 -17.773 -9.522 -0.019 1.00 0.00 O ATOM 0 H GLU A 31 -14.340 -6.519 -0.221 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.409 -5.226 1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.352 -7.917 0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.799 -7.723 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -18.053 -6.898 1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.611 -7.004 0.074 1.00 0.00 H new ATOM 509 N LEU A 32 -13.869 -6.186 3.095 1.00 0.00 N ATOM 510 CA LEU A 32 -13.178 -5.888 4.340 1.00 0.00 C ATOM 511 C LEU A 32 -12.743 -4.422 4.373 1.00 0.00 C ATOM 512 O LEU A 32 -12.504 -3.857 5.434 1.00 0.00 O ATOM 513 CB LEU A 32 -11.961 -6.829 4.511 1.00 0.00 C ATOM 514 CG LEU A 32 -10.755 -6.385 3.653 1.00 0.00 C ATOM 515 CD1 LEU A 32 -9.495 -7.121 4.125 1.00 0.00 C ATOM 516 CD2 LEU A 32 -10.991 -6.724 2.176 1.00 0.00 C ATOM 0 H LEU A 32 -13.488 -6.976 2.574 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.862 -6.055 5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.668 -6.854 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.247 -7.844 4.235 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.632 -5.307 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.643 -6.809 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.304 -6.882 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.640 -8.196 4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.131 -6.404 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.125 -7.800 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.884 -6.209 1.823 1.00 0.00 H new ATOM 528 N LEU A 33 -12.591 -3.839 3.186 1.00 0.00 N ATOM 529 CA LEU A 33 -12.136 -2.457 3.052 1.00 0.00 C ATOM 530 C LEU A 33 -13.183 -1.450 3.510 1.00 0.00 C ATOM 531 O LEU A 33 -12.854 -0.449 4.150 1.00 0.00 O ATOM 532 CB LEU A 33 -11.805 -2.186 1.587 1.00 0.00 C ATOM 533 CG LEU A 33 -10.315 -1.888 1.413 1.00 0.00 C ATOM 534 CD1 LEU A 33 -9.927 -0.659 2.232 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.491 -3.089 1.871 1.00 0.00 C ATOM 0 H LEU A 33 -12.778 -4.305 2.298 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.259 -2.337 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.081 -3.049 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.394 -1.342 1.226 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.115 -1.692 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.864 -0.455 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.506 0.201 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.134 -0.844 3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.430 -2.872 1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.697 -3.293 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.756 -3.961 1.274 1.00 0.00 H new ATOM 547 N THR A 34 -14.440 -1.706 3.170 1.00 0.00 N ATOM 548 CA THR A 34 -15.507 -0.792 3.545 1.00 0.00 C ATOM 549 C THR A 34 -15.773 -0.888 5.038 1.00 0.00 C ATOM 550 O THR A 34 -16.487 -0.067 5.608 1.00 0.00 O ATOM 551 CB THR A 34 -16.786 -1.114 2.758 1.00 0.00 C ATOM 552 OG1 THR A 34 -17.825 -0.243 3.170 1.00 0.00 O ATOM 553 CG2 THR A 34 -17.217 -2.558 3.009 1.00 0.00 C ATOM 0 H THR A 34 -14.741 -2.526 2.643 1.00 0.00 H new ATOM 0 HA THR A 34 -15.198 0.225 3.305 1.00 0.00 H new ATOM 0 HB THR A 34 -16.585 -0.981 1.695 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.742 -0.065 4.130 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.125 -2.770 2.444 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.425 -3.235 2.690 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.410 -2.701 4.072 1.00 0.00 H new ATOM 561 N GLN A 35 -15.190 -1.907 5.660 1.00 0.00 N ATOM 562 CA GLN A 35 -15.375 -2.109 7.090 1.00 0.00 C ATOM 563 C GLN A 35 -14.666 -1.012 7.892 1.00 0.00 C ATOM 564 O GLN A 35 -13.631 -0.493 7.458 1.00 0.00 O ATOM 565 CB GLN A 35 -14.835 -3.482 7.502 1.00 0.00 C ATOM 566 CG GLN A 35 -15.560 -4.582 6.720 1.00 0.00 C ATOM 567 CD GLN A 35 -17.054 -4.556 7.013 1.00 0.00 C ATOM 568 OE1 GLN A 35 -17.460 -4.522 8.175 1.00 0.00 O ATOM 569 NE2 GLN A 35 -17.898 -4.569 6.020 1.00 0.00 N ATOM 0 H GLN A 35 -14.593 -2.597 5.203 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.442 -2.062 7.305 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.763 -3.534 7.311 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.975 -3.632 8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.392 -4.447 5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.149 -5.556 6.987 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.555 -4.597 5.060 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.901 -4.551 6.203 1.00 0.00 H new ATOM 578 N PRO A 36 -15.185 -0.647 9.051 1.00 0.00 N ATOM 579 CA PRO A 36 -14.560 0.410 9.905 1.00 0.00 C ATOM 580 C PRO A 36 -13.343 -0.109 10.672 1.00 0.00 C ATOM 581 O PRO A 36 -13.448 -1.064 11.442 1.00 0.00 O ATOM 582 CB PRO A 36 -15.681 0.796 10.868 1.00 0.00 C ATOM 583 CG PRO A 36 -16.500 -0.443 11.019 1.00 0.00 C ATOM 584 CD PRO A 36 -16.419 -1.186 9.680 1.00 0.00 C ATOM 0 HA PRO A 36 -14.185 1.246 9.314 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.282 1.125 11.827 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.277 1.618 10.472 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.119 -1.063 11.830 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.533 -0.197 11.264 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -16.357 -2.265 9.824 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.298 -0.997 9.064 1.00 0.00 H new ATOM 592 N GLY A 37 -12.192 0.524 10.459 1.00 0.00 N ATOM 593 CA GLY A 37 -10.968 0.115 11.136 1.00 0.00 C ATOM 594 C GLY A 37 -9.785 0.947 10.662 1.00 0.00 C ATOM 595 O GLY A 37 -9.782 1.451 9.542 1.00 0.00 O ATOM 0 H GLY A 37 -12.083 1.317 9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.088 0.226 12.214 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.776 -0.941 10.944 1.00 0.00 H new ATOM 599 N ASP A 38 -8.778 1.084 11.517 1.00 0.00 N ATOM 600 CA ASP A 38 -7.590 1.854 11.164 1.00 0.00 C ATOM 601 C ASP A 38 -6.510 0.931 10.616 1.00 0.00 C ATOM 602 O ASP A 38 -5.992 0.078 11.332 1.00 0.00 O ATOM 603 CB ASP A 38 -7.057 2.584 12.398 1.00 0.00 C ATOM 604 CG ASP A 38 -7.952 2.288 13.595 1.00 0.00 C ATOM 605 OD1 ASP A 38 -8.587 3.212 14.076 1.00 0.00 O ATOM 606 OD2 ASP A 38 -7.992 1.141 14.011 1.00 0.00 O ATOM 0 H ASP A 38 -8.759 0.676 12.452 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.860 2.583 10.400 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.036 2.266 12.608 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.025 3.658 12.212 1.00 0.00 H new ATOM 611 N TRP A 39 -6.186 1.095 9.339 1.00 0.00 N ATOM 612 CA TRP A 39 -5.170 0.267 8.703 1.00 0.00 C ATOM 613 C TRP A 39 -4.291 1.125 7.804 1.00 0.00 C ATOM 614 O TRP A 39 -4.667 2.237 7.439 1.00 0.00 O ATOM 615 CB TRP A 39 -5.810 -0.840 7.846 1.00 0.00 C ATOM 616 CG TRP A 39 -6.511 -1.862 8.698 1.00 0.00 C ATOM 617 CD1 TRP A 39 -7.583 -1.622 9.461 1.00 0.00 C ATOM 618 CD2 TRP A 39 -6.223 -3.280 8.849 1.00 0.00 C ATOM 619 NE1 TRP A 39 -7.964 -2.784 10.101 1.00 0.00 N ATOM 620 CE2 TRP A 39 -7.154 -3.841 9.751 1.00 0.00 C ATOM 621 CE3 TRP A 39 -5.244 -4.117 8.303 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -7.112 -5.192 10.098 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -5.196 -5.478 8.645 1.00 0.00 C ATOM 624 CH2 TRP A 39 -6.131 -6.016 9.539 1.00 0.00 C ATOM 0 H TRP A 39 -6.610 1.791 8.726 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.575 -0.192 9.493 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.521 -0.396 7.149 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.041 -1.329 7.248 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -8.075 -0.666 9.561 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -8.747 -2.851 10.751 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.519 -3.713 7.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.832 -5.598 10.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.435 -6.113 8.217 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -6.094 -7.064 9.796 1.00 0.00 H new ATOM 635 N THR A 40 -3.135 0.587 7.433 1.00 0.00 N ATOM 636 CA THR A 40 -2.210 1.291 6.550 1.00 0.00 C ATOM 637 C THR A 40 -2.027 0.487 5.266 1.00 0.00 C ATOM 638 O THR A 40 -1.533 -0.643 5.285 1.00 0.00 O ATOM 639 CB THR A 40 -0.854 1.491 7.241 1.00 0.00 C ATOM 640 OG1 THR A 40 -1.047 1.522 8.644 1.00 0.00 O ATOM 641 CG2 THR A 40 -0.168 2.799 6.804 1.00 0.00 C ATOM 0 H THR A 40 -2.815 -0.335 7.730 1.00 0.00 H new ATOM 0 HA THR A 40 -2.622 2.271 6.312 1.00 0.00 H new ATOM 0 HB THR A 40 -0.210 0.660 6.953 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.184 1.648 9.090 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.788 2.898 7.318 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.000 2.780 5.727 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.806 3.646 7.057 1.00 0.00 H new ATOM 649 N LEU A 41 -2.454 1.077 4.159 1.00 0.00 N ATOM 650 CA LEU A 41 -2.368 0.421 2.862 1.00 0.00 C ATOM 651 C LEU A 41 -1.285 1.062 2.007 1.00 0.00 C ATOM 652 O LEU A 41 -1.093 2.281 2.045 1.00 0.00 O ATOM 653 CB LEU A 41 -3.729 0.520 2.148 1.00 0.00 C ATOM 654 CG LEU A 41 -3.825 1.834 1.343 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.164 1.695 -0.037 1.00 0.00 C ATOM 656 CD2 LEU A 41 -5.293 2.199 1.142 1.00 0.00 C ATOM 0 H LEU A 41 -2.864 2.010 4.133 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.109 -0.627 3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.859 -0.332 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.535 0.476 2.881 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.306 2.610 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.249 2.638 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.111 1.442 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.662 0.907 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.363 3.127 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.795 1.400 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.771 2.331 2.113 1.00 0.00 H new ATOM 668 N PHE A 42 -0.598 0.233 1.228 1.00 0.00 N ATOM 669 CA PHE A 42 0.456 0.714 0.343 1.00 0.00 C ATOM 670 C PHE A 42 0.027 0.541 -1.110 1.00 0.00 C ATOM 671 O PHE A 42 -0.352 -0.555 -1.521 1.00 0.00 O ATOM 672 CB PHE A 42 1.749 -0.055 0.592 1.00 0.00 C ATOM 673 CG PHE A 42 2.540 0.640 1.669 1.00 0.00 C ATOM 674 CD1 PHE A 42 2.002 0.770 2.956 1.00 0.00 C ATOM 675 CD2 PHE A 42 3.809 1.156 1.386 1.00 0.00 C ATOM 676 CE1 PHE A 42 2.735 1.414 3.957 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.538 1.800 2.388 1.00 0.00 C ATOM 678 CZ PHE A 42 4.004 1.928 3.673 1.00 0.00 C ATOM 0 H PHE A 42 -0.752 -0.775 1.192 1.00 0.00 H new ATOM 0 HA PHE A 42 0.630 1.771 0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.525 -1.079 0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.334 -0.113 -0.326 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.022 0.373 3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.224 1.056 0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.321 1.515 4.950 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.517 2.200 2.169 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.571 2.424 4.447 1.00 0.00 H new ATOM 688 N VAL A 43 0.080 1.628 -1.877 1.00 0.00 N ATOM 689 CA VAL A 43 -0.319 1.582 -3.275 1.00 0.00 C ATOM 690 C VAL A 43 0.750 2.212 -4.181 1.00 0.00 C ATOM 691 O VAL A 43 0.939 3.430 -4.149 1.00 0.00 O ATOM 692 CB VAL A 43 -1.649 2.320 -3.472 1.00 0.00 C ATOM 693 CG1 VAL A 43 -1.586 3.742 -2.899 1.00 0.00 C ATOM 694 CG2 VAL A 43 -1.945 2.390 -4.965 1.00 0.00 C ATOM 0 H VAL A 43 0.393 2.543 -1.554 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.436 0.534 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.435 1.779 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.543 4.239 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.370 3.695 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.800 4.303 -3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.888 2.912 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.143 2.928 -5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.016 1.380 -5.370 1.00 0.00 H new ATOM 704 N PRO A 44 1.439 1.430 -5.000 1.00 0.00 N ATOM 705 CA PRO A 44 2.484 1.966 -5.916 1.00 0.00 C ATOM 706 C PRO A 44 1.862 2.572 -7.178 1.00 0.00 C ATOM 707 O PRO A 44 0.772 2.174 -7.589 1.00 0.00 O ATOM 708 CB PRO A 44 3.323 0.741 -6.269 1.00 0.00 C ATOM 709 CG PRO A 44 2.398 -0.423 -6.155 1.00 0.00 C ATOM 710 CD PRO A 44 1.318 -0.038 -5.138 1.00 0.00 C ATOM 0 HA PRO A 44 3.066 2.766 -5.457 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.730 0.821 -7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.170 0.637 -5.591 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.952 -0.657 -7.122 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.936 -1.313 -5.828 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.325 -0.322 -5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.476 -0.540 -4.183 1.00 0.00 H new ATOM 718 N THR A 45 2.552 3.534 -7.787 1.00 0.00 N ATOM 719 CA THR A 45 2.027 4.170 -8.995 1.00 0.00 C ATOM 720 C THR A 45 2.441 3.401 -10.246 1.00 0.00 C ATOM 721 O THR A 45 3.177 2.425 -10.168 1.00 0.00 O ATOM 722 CB THR A 45 2.531 5.611 -9.082 1.00 0.00 C ATOM 723 OG1 THR A 45 3.851 5.683 -8.555 1.00 0.00 O ATOM 724 CG2 THR A 45 1.606 6.522 -8.273 1.00 0.00 C ATOM 0 H THR A 45 3.457 3.885 -7.473 1.00 0.00 H new ATOM 0 HA THR A 45 0.939 4.166 -8.937 1.00 0.00 H new ATOM 0 HB THR A 45 2.538 5.934 -10.123 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.500 5.579 -9.282 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.964 7.550 -8.334 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.595 6.465 -8.677 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.599 6.201 -7.231 1.00 0.00 H new ATOM 732 N ASN A 46 1.962 3.845 -11.402 1.00 0.00 N ATOM 733 CA ASN A 46 2.300 3.179 -12.656 1.00 0.00 C ATOM 734 C ASN A 46 3.810 3.215 -12.886 1.00 0.00 C ATOM 735 O ASN A 46 4.399 2.254 -13.392 1.00 0.00 O ATOM 736 CB ASN A 46 1.587 3.864 -13.822 1.00 0.00 C ATOM 737 CG ASN A 46 1.344 2.864 -14.947 1.00 0.00 C ATOM 738 OD1 ASN A 46 0.196 2.595 -15.302 1.00 0.00 O ATOM 739 ND2 ASN A 46 2.361 2.297 -15.534 1.00 0.00 N ATOM 0 H ASN A 46 1.346 4.652 -11.498 1.00 0.00 H new ATOM 0 HA ASN A 46 1.975 2.140 -12.595 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.638 4.281 -13.484 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.188 4.696 -14.188 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.207 1.629 -16.289 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.311 2.522 -15.238 1.00 0.00 H new ATOM 746 N ASP A 47 4.427 4.333 -12.510 1.00 0.00 N ATOM 747 CA ASP A 47 5.866 4.494 -12.677 1.00 0.00 C ATOM 748 C ASP A 47 6.621 3.395 -11.935 1.00 0.00 C ATOM 749 O ASP A 47 7.802 3.156 -12.186 1.00 0.00 O ATOM 750 CB ASP A 47 6.305 5.862 -12.155 1.00 0.00 C ATOM 751 CG ASP A 47 7.827 5.937 -12.110 1.00 0.00 C ATOM 752 OD1 ASP A 47 8.418 6.208 -13.142 1.00 0.00 O ATOM 753 OD2 ASP A 47 8.380 5.723 -11.044 1.00 0.00 O ATOM 0 H ASP A 47 3.956 5.134 -12.091 1.00 0.00 H new ATOM 0 HA ASP A 47 6.097 4.422 -13.740 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.912 6.649 -12.798 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.894 6.030 -11.159 1.00 0.00 H new ATOM 758 N ALA A 48 5.924 2.728 -11.024 1.00 0.00 N ATOM 759 CA ALA A 48 6.517 1.650 -10.243 1.00 0.00 C ATOM 760 C ALA A 48 6.345 0.315 -10.960 1.00 0.00 C ATOM 761 O ALA A 48 7.081 -0.638 -10.705 1.00 0.00 O ATOM 762 CB ALA A 48 5.829 1.572 -8.888 1.00 0.00 C ATOM 0 H ALA A 48 4.945 2.915 -10.807 1.00 0.00 H new ATOM 0 HA ALA A 48 7.580 1.854 -10.117 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.271 0.766 -8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.957 2.517 -8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.766 1.377 -9.030 1.00 0.00 H new ATOM 768 N PHE A 49 5.359 0.252 -11.850 1.00 0.00 N ATOM 769 CA PHE A 49 5.087 -0.973 -12.593 1.00 0.00 C ATOM 770 C PHE A 49 6.118 -1.165 -13.695 1.00 0.00 C ATOM 771 O PHE A 49 6.500 -2.291 -14.013 1.00 0.00 O ATOM 772 CB PHE A 49 3.685 -0.920 -13.210 1.00 0.00 C ATOM 773 CG PHE A 49 2.858 -2.075 -12.691 1.00 0.00 C ATOM 774 CD1 PHE A 49 2.432 -2.087 -11.358 1.00 0.00 C ATOM 775 CD2 PHE A 49 2.516 -3.134 -13.544 1.00 0.00 C ATOM 776 CE1 PHE A 49 1.667 -3.155 -10.876 1.00 0.00 C ATOM 777 CE2 PHE A 49 1.748 -4.202 -13.060 1.00 0.00 C ATOM 778 CZ PHE A 49 1.324 -4.213 -11.727 1.00 0.00 C ATOM 0 H PHE A 49 4.739 1.030 -12.073 1.00 0.00 H new ATOM 0 HA PHE A 49 5.144 -1.813 -11.900 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.203 0.026 -12.962 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.753 -0.968 -14.297 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.694 -1.271 -10.701 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.844 -3.127 -14.573 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.341 -3.163 -9.847 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.483 -5.017 -13.717 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.733 -5.036 -11.355 1.00 0.00 H new ATOM 834 N THR A 53 7.568 -7.868 -16.466 1.00 0.00 N ATOM 835 CA THR A 53 7.570 -8.548 -17.754 1.00 0.00 C ATOM 836 C THR A 53 6.383 -9.496 -17.863 1.00 0.00 C ATOM 837 O THR A 53 5.879 -9.993 -16.856 1.00 0.00 O ATOM 838 CB THR A 53 8.870 -9.331 -17.928 1.00 0.00 C ATOM 839 OG1 THR A 53 9.015 -10.247 -16.851 1.00 0.00 O ATOM 840 CG2 THR A 53 10.049 -8.359 -17.937 1.00 0.00 C ATOM 0 HA THR A 53 7.491 -7.797 -18.540 1.00 0.00 H new ATOM 0 HB THR A 53 8.845 -9.879 -18.870 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.072 -11.160 -17.203 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.978 -8.915 -18.061 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.934 -7.656 -18.762 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.077 -7.812 -16.995 1.00 0.00 H new ATOM 848 N SER A 54 5.941 -9.741 -19.091 1.00 0.00 N ATOM 849 CA SER A 54 4.810 -10.632 -19.320 1.00 0.00 C ATOM 850 C SER A 54 4.965 -11.914 -18.512 1.00 0.00 C ATOM 851 O SER A 54 3.992 -12.446 -17.982 1.00 0.00 O ATOM 852 CB SER A 54 4.709 -10.974 -20.807 1.00 0.00 C ATOM 853 OG SER A 54 5.681 -10.230 -21.529 1.00 0.00 O ATOM 0 H SER A 54 6.345 -9.339 -19.937 1.00 0.00 H new ATOM 0 HA SER A 54 3.901 -10.123 -19.001 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.867 -12.042 -20.957 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.710 -10.744 -21.177 1.00 0.00 H new ATOM 0 HG SER A 54 5.619 -10.449 -22.482 1.00 0.00 H new ATOM 859 N GLU A 55 6.195 -12.406 -18.422 1.00 0.00 N ATOM 860 CA GLU A 55 6.468 -13.629 -17.679 1.00 0.00 C ATOM 861 C GLU A 55 6.311 -13.396 -16.181 1.00 0.00 C ATOM 862 O GLU A 55 5.710 -14.205 -15.475 1.00 0.00 O ATOM 863 CB GLU A 55 7.886 -14.117 -17.976 1.00 0.00 C ATOM 864 CG GLU A 55 7.965 -15.623 -17.722 1.00 0.00 C ATOM 865 CD GLU A 55 9.418 -16.084 -17.761 1.00 0.00 C ATOM 866 OE1 GLU A 55 9.677 -17.112 -18.365 1.00 0.00 O ATOM 867 OE2 GLU A 55 10.251 -15.402 -17.186 1.00 0.00 O ATOM 0 H GLU A 55 7.015 -11.979 -18.852 1.00 0.00 H new ATOM 0 HA GLU A 55 5.750 -14.387 -17.993 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.150 -13.897 -19.010 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.603 -13.592 -17.345 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.526 -15.860 -16.753 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.385 -16.158 -18.474 1.00 0.00 H new ATOM 874 N GLU A 56 6.857 -12.285 -15.700 1.00 0.00 N ATOM 875 CA GLU A 56 6.775 -11.957 -14.282 1.00 0.00 C ATOM 876 C GLU A 56 5.330 -11.982 -13.804 1.00 0.00 C ATOM 877 O GLU A 56 4.975 -12.741 -12.904 1.00 0.00 O ATOM 878 CB GLU A 56 7.369 -10.569 -14.034 1.00 0.00 C ATOM 879 CG GLU A 56 8.839 -10.709 -13.641 1.00 0.00 C ATOM 880 CD GLU A 56 8.952 -11.067 -12.163 1.00 0.00 C ATOM 881 OE1 GLU A 56 9.534 -12.098 -11.866 1.00 0.00 O ATOM 882 OE2 GLU A 56 8.453 -10.306 -11.350 1.00 0.00 O ATOM 0 H GLU A 56 7.358 -11.601 -16.267 1.00 0.00 H new ATOM 0 HA GLU A 56 7.341 -12.704 -13.725 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.278 -9.957 -14.931 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.817 -10.061 -13.244 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.314 -11.480 -14.248 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.367 -9.776 -13.839 1.00 0.00 H new ATOM 889 N LYS A 57 4.499 -11.145 -14.408 1.00 0.00 N ATOM 890 CA LYS A 57 3.096 -11.079 -14.023 1.00 0.00 C ATOM 891 C LYS A 57 2.429 -12.442 -14.175 1.00 0.00 C ATOM 892 O LYS A 57 1.591 -12.824 -13.362 1.00 0.00 O ATOM 893 CB LYS A 57 2.365 -10.049 -14.885 1.00 0.00 C ATOM 894 CG LYS A 57 2.501 -10.427 -16.361 1.00 0.00 C ATOM 895 CD LYS A 57 1.915 -9.310 -17.240 1.00 0.00 C ATOM 896 CE LYS A 57 2.863 -8.100 -17.298 1.00 0.00 C ATOM 897 NZ LYS A 57 2.576 -7.185 -16.157 1.00 0.00 N ATOM 0 H LYS A 57 4.767 -10.508 -15.159 1.00 0.00 H new ATOM 0 HA LYS A 57 3.042 -10.779 -12.976 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.312 -10.007 -14.605 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.780 -9.056 -14.714 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.550 -10.586 -16.610 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.982 -11.365 -16.555 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.741 -9.689 -18.247 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.948 -9.000 -16.844 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.899 -8.435 -17.257 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.736 -7.571 -18.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.466 -6.213 -16.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.698 -7.483 -15.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.363 -7.219 -15.478 1.00 0.00 H new ATOM 911 N GLU A 58 2.803 -13.169 -15.216 1.00 0.00 N ATOM 912 CA GLU A 58 2.224 -14.480 -15.458 1.00 0.00 C ATOM 913 C GLU A 58 2.533 -15.424 -14.300 1.00 0.00 C ATOM 914 O GLU A 58 1.738 -16.302 -13.974 1.00 0.00 O ATOM 915 CB GLU A 58 2.774 -15.051 -16.765 1.00 0.00 C ATOM 916 CG GLU A 58 2.706 -16.577 -16.733 1.00 0.00 C ATOM 917 CD GLU A 58 2.799 -17.133 -18.150 1.00 0.00 C ATOM 918 OE1 GLU A 58 1.885 -16.890 -18.922 1.00 0.00 O ATOM 919 OE2 GLU A 58 3.781 -17.795 -18.443 1.00 0.00 O ATOM 0 H GLU A 58 3.499 -12.876 -15.902 1.00 0.00 H new ATOM 0 HA GLU A 58 1.142 -14.378 -15.537 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.199 -14.670 -17.609 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.805 -14.727 -16.909 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.519 -16.973 -16.124 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.774 -16.898 -16.268 1.00 0.00 H new ATOM 926 N ILE A 59 3.690 -15.239 -13.681 1.00 0.00 N ATOM 927 CA ILE A 59 4.082 -16.085 -12.563 1.00 0.00 C ATOM 928 C ILE A 59 3.327 -15.684 -11.298 1.00 0.00 C ATOM 929 O ILE A 59 3.088 -16.508 -10.415 1.00 0.00 O ATOM 930 CB ILE A 59 5.589 -15.964 -12.329 1.00 0.00 C ATOM 931 CG1 ILE A 59 6.335 -16.515 -13.547 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.982 -16.771 -11.092 1.00 0.00 C ATOM 933 CD1 ILE A 59 7.701 -15.834 -13.663 1.00 0.00 C ATOM 0 H ILE A 59 4.368 -14.519 -13.930 1.00 0.00 H new ATOM 0 HA ILE A 59 3.834 -17.119 -12.802 1.00 0.00 H new ATOM 0 HB ILE A 59 5.850 -14.916 -12.178 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.462 -17.593 -13.451 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.753 -16.342 -14.452 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.056 -16.684 -10.927 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.449 -16.387 -10.222 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.722 -17.819 -11.243 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.231 -16.227 -14.530 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.563 -14.759 -13.779 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.283 -16.030 -12.763 1.00 0.00 H new ATOM 945 N LEU A 60 2.956 -14.412 -11.214 1.00 0.00 N ATOM 946 CA LEU A 60 2.237 -13.913 -10.047 1.00 0.00 C ATOM 947 C LEU A 60 0.769 -14.328 -10.079 1.00 0.00 C ATOM 948 O LEU A 60 0.192 -14.685 -9.045 1.00 0.00 O ATOM 949 CB LEU A 60 2.333 -12.390 -10.002 1.00 0.00 C ATOM 950 CG LEU A 60 3.798 -11.971 -9.846 1.00 0.00 C ATOM 951 CD1 LEU A 60 3.897 -10.451 -9.883 1.00 0.00 C ATOM 952 CD2 LEU A 60 4.353 -12.465 -8.506 1.00 0.00 C ATOM 0 H LEU A 60 3.139 -13.712 -11.933 1.00 0.00 H new ATOM 0 HA LEU A 60 2.694 -14.344 -9.157 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.917 -11.962 -10.914 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.743 -12.003 -9.171 1.00 0.00 H new ATOM 0 HG LEU A 60 4.374 -12.408 -10.661 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.939 -10.151 -9.772 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.513 -10.084 -10.835 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.309 -10.028 -9.068 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.395 -12.160 -8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.772 -12.035 -7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.288 -13.552 -8.464 1.00 0.00 H new ATOM 964 N ILE A 61 0.165 -14.266 -11.263 1.00 0.00 N ATOM 965 CA ILE A 61 -1.240 -14.630 -11.413 1.00 0.00 C ATOM 966 C ILE A 61 -1.409 -16.142 -11.474 1.00 0.00 C ATOM 967 O ILE A 61 -2.491 -16.665 -11.201 1.00 0.00 O ATOM 968 CB ILE A 61 -1.815 -14.006 -12.690 1.00 0.00 C ATOM 969 CG1 ILE A 61 -1.134 -14.620 -13.916 1.00 0.00 C ATOM 970 CG2 ILE A 61 -1.559 -12.500 -12.688 1.00 0.00 C ATOM 971 CD1 ILE A 61 -2.056 -15.652 -14.573 1.00 0.00 C ATOM 0 H ILE A 61 0.622 -13.970 -12.125 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.778 -14.250 -10.544 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.887 -14.199 -12.726 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.884 -13.837 -14.632 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.198 -15.094 -13.622 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.969 -12.060 -13.597 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.039 -12.050 -11.819 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.486 -12.313 -12.647 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.560 -16.081 -15.444 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.284 -16.443 -13.859 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.981 -15.167 -14.885 1.00 0.00 H new ATOM 983 N ARG A 62 -0.341 -16.841 -11.845 1.00 0.00 N ATOM 984 CA ARG A 62 -0.395 -18.297 -11.947 1.00 0.00 C ATOM 985 C ARG A 62 -0.670 -18.913 -10.584 1.00 0.00 C ATOM 986 O ARG A 62 -1.447 -19.862 -10.464 1.00 0.00 O ATOM 987 CB ARG A 62 0.944 -18.842 -12.477 1.00 0.00 C ATOM 988 CG ARG A 62 0.839 -19.297 -13.944 1.00 0.00 C ATOM 989 CD ARG A 62 1.586 -20.623 -14.111 1.00 0.00 C ATOM 990 NE ARG A 62 0.997 -21.644 -13.251 1.00 0.00 N ATOM 991 CZ ARG A 62 1.602 -22.810 -13.062 1.00 0.00 C ATOM 992 NH1 ARG A 62 2.751 -23.046 -13.632 1.00 0.00 N ATOM 993 NH2 ARG A 62 1.046 -23.720 -12.309 1.00 0.00 N ATOM 0 H ARG A 62 0.563 -16.430 -12.078 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.198 -18.560 -12.635 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.710 -18.071 -12.390 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.265 -19.681 -11.859 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.207 -19.416 -14.227 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.263 -18.540 -14.604 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.543 -20.945 -15.152 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.639 -20.490 -13.862 1.00 0.00 H new ATOM 0 HE ARG A 62 0.107 -21.459 -12.788 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.183 -22.335 -14.222 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.217 -23.942 -13.488 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.146 -23.535 -11.866 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.511 -24.616 -12.164 1.00 0.00 H new ATOM 1007 N ASP A 63 -0.035 -18.365 -9.561 1.00 0.00 N ATOM 1008 CA ASP A 63 -0.225 -18.867 -8.205 1.00 0.00 C ATOM 1009 C ASP A 63 -1.171 -17.957 -7.440 1.00 0.00 C ATOM 1010 O ASP A 63 -0.796 -16.854 -7.049 1.00 0.00 O ATOM 1011 CB ASP A 63 1.110 -18.942 -7.471 1.00 0.00 C ATOM 1012 CG ASP A 63 1.596 -20.386 -7.440 1.00 0.00 C ATOM 1013 OD1 ASP A 63 2.005 -20.830 -6.380 1.00 0.00 O ATOM 1014 OD2 ASP A 63 1.545 -21.028 -8.475 1.00 0.00 O ATOM 0 H ASP A 63 0.611 -17.580 -9.639 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.653 -19.867 -8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.846 -18.311 -7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.000 -18.563 -6.455 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.396 -18.422 -7.231 1.00 0.00 N ATOM 1020 CA LYS A 64 -3.381 -17.626 -6.508 1.00 0.00 C ATOM 1021 C LYS A 64 -2.756 -17.069 -5.240 1.00 0.00 C ATOM 1022 O LYS A 64 -3.018 -15.940 -4.858 1.00 0.00 O ATOM 1023 CB LYS A 64 -4.619 -18.492 -6.170 1.00 0.00 C ATOM 1024 CG LYS A 64 -5.538 -17.828 -5.108 1.00 0.00 C ATOM 1025 CD LYS A 64 -6.343 -16.681 -5.734 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.668 -17.219 -6.286 1.00 0.00 C ATOM 1027 NZ LYS A 64 -8.056 -16.429 -7.484 1.00 0.00 N ATOM 0 H LYS A 64 -2.729 -19.333 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.704 -16.795 -7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.192 -18.672 -7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.289 -19.464 -5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.217 -18.571 -4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.935 -17.449 -4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.535 -15.910 -4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.768 -16.215 -6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.566 -18.272 -6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.446 -17.154 -5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.955 -16.791 -7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.169 -15.430 -7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.316 -16.513 -8.210 1.00 0.00 H new ATOM 1041 N ASN A 65 -1.946 -17.872 -4.579 1.00 0.00 N ATOM 1042 CA ASN A 65 -1.326 -17.436 -3.341 1.00 0.00 C ATOM 1043 C ASN A 65 -0.308 -16.331 -3.595 1.00 0.00 C ATOM 1044 O ASN A 65 -0.062 -15.489 -2.724 1.00 0.00 O ATOM 1045 CB ASN A 65 -0.645 -18.626 -2.665 1.00 0.00 C ATOM 1046 CG ASN A 65 -1.383 -18.989 -1.379 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -0.762 -19.112 -0.323 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -2.677 -19.171 -1.403 1.00 0.00 N ATOM 0 H ASN A 65 -1.703 -18.818 -4.872 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.102 -17.036 -2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.633 -19.481 -3.341 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.394 -18.382 -2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.174 -19.415 -0.546 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.190 -19.069 -2.279 1.00 0.00 H new ATOM 1055 N ALA A 66 0.284 -16.335 -4.785 1.00 0.00 N ATOM 1056 CA ALA A 66 1.286 -15.336 -5.129 1.00 0.00 C ATOM 1057 C ALA A 66 0.660 -13.962 -5.292 1.00 0.00 C ATOM 1058 O ALA A 66 0.978 -13.025 -4.546 1.00 0.00 O ATOM 1059 CB ALA A 66 1.981 -15.736 -6.427 1.00 0.00 C ATOM 0 H ALA A 66 0.089 -17.013 -5.521 1.00 0.00 H new ATOM 0 HA ALA A 66 2.011 -15.287 -4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.731 -14.988 -6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.464 -16.704 -6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.245 -15.802 -7.228 1.00 0.00 H new ATOM 1065 N LEU A 67 -0.244 -13.834 -6.257 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.890 -12.553 -6.464 1.00 0.00 C ATOM 1067 C LEU A 67 -1.588 -12.122 -5.185 1.00 0.00 C ATOM 1068 O LEU A 67 -1.666 -10.936 -4.894 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.883 -12.601 -7.652 1.00 0.00 C ATOM 1070 CG LEU A 67 -3.355 -12.624 -7.178 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -4.288 -12.431 -8.378 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.668 -13.972 -6.529 1.00 0.00 C ATOM 0 H LEU A 67 -0.537 -14.580 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.127 -11.817 -6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.722 -11.735 -8.294 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.683 -13.486 -8.256 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.505 -11.820 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.324 -12.448 -8.040 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.077 -11.473 -8.853 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.128 -13.235 -9.096 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.706 -13.984 -6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.510 -14.770 -7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.011 -14.125 -5.673 1.00 0.00 H new ATOM 1084 N GLN A 68 -2.133 -13.086 -4.444 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.863 -12.758 -3.221 1.00 0.00 C ATOM 1086 C GLN A 68 -1.951 -12.028 -2.246 1.00 0.00 C ATOM 1087 O GLN A 68 -2.286 -10.953 -1.721 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.419 -14.013 -2.539 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.919 -14.153 -2.837 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.725 -13.258 -1.912 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.745 -11.979 -2.146 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -6.346 -13.730 -0.957 1.00 0.00 N flip ATOM 0 H GLN A 68 -2.085 -14.081 -4.663 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.699 -12.118 -3.504 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.886 -14.895 -2.893 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.258 -13.953 -1.463 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.117 -13.887 -3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.227 -15.191 -2.710 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.325 -14.734 -0.781 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.881 -13.116 -0.343 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.785 -12.610 -2.005 1.00 0.00 N ATOM 1102 CA ASN A 69 0.158 -11.994 -1.100 1.00 0.00 C ATOM 1103 C ASN A 69 0.489 -10.588 -1.583 1.00 0.00 C ATOM 1104 O ASN A 69 0.673 -9.672 -0.779 1.00 0.00 O ATOM 1105 CB ASN A 69 1.428 -12.834 -1.018 1.00 0.00 C ATOM 1106 CG ASN A 69 2.539 -12.193 -1.842 1.00 0.00 C ATOM 1107 OD1 ASN A 69 3.049 -11.133 -1.478 1.00 0.00 O ATOM 1108 ND2 ASN A 69 2.947 -12.777 -2.937 1.00 0.00 N ATOM 0 H ASN A 69 -0.478 -13.491 -2.417 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.286 -11.934 -0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.744 -12.928 0.021 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.230 -13.842 -1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.690 -12.355 -3.494 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.522 -13.655 -3.235 1.00 0.00 H new ATOM 1115 N ILE A 70 0.553 -10.419 -2.903 1.00 0.00 N ATOM 1116 CA ILE A 70 0.848 -9.107 -3.471 1.00 0.00 C ATOM 1117 C ILE A 70 -0.398 -8.218 -3.445 1.00 0.00 C ATOM 1118 O ILE A 70 -0.307 -7.012 -3.229 1.00 0.00 O ATOM 1119 CB ILE A 70 1.327 -9.251 -4.913 1.00 0.00 C ATOM 1120 CG1 ILE A 70 2.659 -10.026 -4.948 1.00 0.00 C ATOM 1121 CG2 ILE A 70 1.483 -7.863 -5.546 1.00 0.00 C ATOM 1122 CD1 ILE A 70 3.763 -9.299 -4.162 1.00 0.00 C ATOM 0 H ILE A 70 0.407 -11.161 -3.588 1.00 0.00 H new ATOM 0 HA ILE A 70 1.632 -8.647 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 70 0.591 -9.812 -5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.511 -11.022 -4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.976 -10.158 -5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.825 -7.969 -6.575 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.523 -7.348 -5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.212 -7.284 -4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.686 -9.877 -4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.929 -8.313 -4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.458 -9.191 -3.121 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.560 -8.820 -3.659 1.00 0.00 N ATOM 1135 CA ILE A 71 -2.805 -8.072 -3.647 1.00 0.00 C ATOM 1136 C ILE A 71 -2.861 -7.193 -2.410 1.00 0.00 C ATOM 1137 O ILE A 71 -3.103 -5.992 -2.500 1.00 0.00 O ATOM 1138 CB ILE A 71 -3.993 -9.033 -3.642 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -4.332 -9.445 -5.080 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -5.202 -8.370 -2.982 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -5.319 -8.454 -5.686 1.00 0.00 C ATOM 0 H ILE A 71 -1.664 -9.818 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.852 -7.449 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.730 -9.924 -3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.423 -9.480 -5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.759 -10.448 -5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.043 -9.063 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.954 -8.102 -1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.472 -7.471 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.555 -8.754 -6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.233 -8.441 -5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.876 -7.458 -5.693 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.651 -7.797 -1.248 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.701 -7.026 -0.013 1.00 0.00 C ATOM 1155 C LEU A 72 -1.652 -5.923 -0.016 1.00 0.00 C ATOM 1156 O LEU A 72 -1.646 -5.062 0.863 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.471 -7.939 1.178 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.522 -9.043 1.168 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.827 -10.383 1.390 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.549 -8.778 2.281 1.00 0.00 C ATOM 0 H LEU A 72 -2.450 -8.790 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.687 -6.568 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.471 -8.371 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.532 -7.370 2.106 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.043 -9.063 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.568 -11.182 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.103 -10.554 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.312 -10.371 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.302 -9.566 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.044 -8.765 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.030 -7.815 2.110 1.00 0.00 H new ATOM 1172 N TYR A 73 -0.768 -5.954 -1.005 1.00 0.00 N ATOM 1173 CA TYR A 73 0.286 -4.954 -1.108 1.00 0.00 C ATOM 1174 C TYR A 73 0.839 -4.596 0.268 1.00 0.00 C ATOM 1175 O TYR A 73 1.118 -3.429 0.551 1.00 0.00 O ATOM 1176 CB TYR A 73 -0.245 -3.698 -1.805 1.00 0.00 C ATOM 1177 CG TYR A 73 -0.294 -3.951 -3.292 1.00 0.00 C ATOM 1178 CD1 TYR A 73 0.897 -4.078 -4.017 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -1.527 -4.061 -3.945 1.00 0.00 C ATOM 1180 CE1 TYR A 73 0.854 -4.329 -5.393 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -1.570 -4.308 -5.322 1.00 0.00 C ATOM 1182 CZ TYR A 73 -0.379 -4.437 -6.047 1.00 0.00 C ATOM 1183 OH TYR A 73 -0.419 -4.679 -7.405 1.00 0.00 O ATOM 0 H TYR A 73 -0.760 -6.657 -1.744 1.00 0.00 H new ATOM 0 HA TYR A 73 1.097 -5.376 -1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.239 -3.451 -1.431 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.399 -2.845 -1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.848 -3.982 -3.515 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.445 -3.955 -3.386 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.772 -4.439 -5.951 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.521 -4.399 -5.825 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.848 -3.924 -7.859 1.00 0.00 H new ATOM 1193 N HIS A 74 1.007 -5.610 1.117 1.00 0.00 N ATOM 1194 CA HIS A 74 1.544 -5.389 2.454 1.00 0.00 C ATOM 1195 C HIS A 74 0.562 -4.601 3.307 1.00 0.00 C ATOM 1196 O HIS A 74 0.926 -3.597 3.915 1.00 0.00 O ATOM 1197 CB HIS A 74 2.876 -4.639 2.362 1.00 0.00 C ATOM 1198 CG HIS A 74 3.652 -5.157 1.182 1.00 0.00 C ATOM 1199 ND1 HIS A 74 3.446 -4.690 -0.107 1.00 0.00 N ATOM 1200 CD2 HIS A 74 4.628 -6.116 1.083 1.00 0.00 C ATOM 1201 CE1 HIS A 74 4.276 -5.367 -0.920 1.00 0.00 C ATOM 1202 NE2 HIS A 74 5.020 -6.249 -0.245 1.00 0.00 N ATOM 0 H HIS A 74 0.781 -6.581 0.903 1.00 0.00 H new ATOM 0 HA HIS A 74 1.707 -6.358 2.925 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.698 -3.569 2.255 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.449 -4.777 3.279 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.785 -3.965 -0.387 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.031 -6.682 1.910 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.334 -5.217 -1.988 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.683 -5.072 3.363 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.696 -4.400 4.168 1.00 0.00 C ATOM 1213 C LEU A 75 -1.335 -4.538 5.646 1.00 0.00 C ATOM 1214 O LEU A 75 -1.021 -5.634 6.110 1.00 0.00 O ATOM 1215 CB LEU A 75 -3.077 -5.021 3.907 1.00 0.00 C ATOM 1216 CG LEU A 75 -4.089 -4.575 4.978 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -4.210 -3.052 4.965 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.452 -5.198 4.670 1.00 0.00 C ATOM 0 H LEU A 75 -1.009 -5.903 2.869 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.732 -3.345 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.432 -4.726 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.997 -6.108 3.906 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.749 -4.901 5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.927 -2.737 5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.238 -2.608 5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.552 -2.723 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.174 -4.886 5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.789 -4.868 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.366 -6.285 4.678 1.00 0.00 H new ATOM 1230 N THR A 76 -1.384 -3.430 6.379 1.00 0.00 N ATOM 1231 CA THR A 76 -1.059 -3.443 7.794 1.00 0.00 C ATOM 1232 C THR A 76 -2.203 -2.832 8.622 1.00 0.00 C ATOM 1233 O THR A 76 -2.853 -1.894 8.168 1.00 0.00 O ATOM 1234 CB THR A 76 0.232 -2.628 8.009 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.267 -3.494 8.443 1.00 0.00 O ATOM 1236 CG2 THR A 76 0.032 -1.523 9.058 1.00 0.00 C ATOM 0 H THR A 76 -1.646 -2.514 6.013 1.00 0.00 H new ATOM 0 HA THR A 76 -0.916 -4.473 8.121 1.00 0.00 H new ATOM 0 HB THR A 76 0.497 -2.159 7.061 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.089 -2.979 8.579 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.962 -0.969 9.184 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.753 -0.844 8.726 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.255 -1.972 10.009 1.00 0.00 H new ATOM 1244 N PRO A 77 -2.425 -3.296 9.844 1.00 0.00 N ATOM 1245 CA PRO A 77 -3.465 -2.716 10.736 1.00 0.00 C ATOM 1246 C PRO A 77 -2.898 -1.583 11.592 1.00 0.00 C ATOM 1247 O PRO A 77 -1.694 -1.525 11.839 1.00 0.00 O ATOM 1248 CB PRO A 77 -3.863 -3.901 11.612 1.00 0.00 C ATOM 1249 CG PRO A 77 -2.620 -4.717 11.749 1.00 0.00 C ATOM 1250 CD PRO A 77 -1.753 -4.434 10.510 1.00 0.00 C ATOM 0 HA PRO A 77 -4.298 -2.278 10.186 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.226 -3.568 12.585 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.665 -4.479 11.153 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.085 -4.454 12.661 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.861 -5.778 11.816 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.730 -4.183 10.790 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.700 -5.303 9.855 1.00 0.00 H new ATOM 1258 N GLY A 78 -3.776 -0.697 12.046 1.00 0.00 N ATOM 1259 CA GLY A 78 -3.357 0.423 12.882 1.00 0.00 C ATOM 1260 C GLY A 78 -2.647 1.494 12.059 1.00 0.00 C ATOM 1261 O GLY A 78 -1.578 1.258 11.496 1.00 0.00 O ATOM 0 H GLY A 78 -4.777 -0.731 11.851 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.227 0.857 13.375 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.692 0.064 13.667 1.00 0.00 H new ATOM 1265 N VAL A 79 -3.255 2.675 11.997 1.00 0.00 N ATOM 1266 CA VAL A 79 -2.685 3.792 11.244 1.00 0.00 C ATOM 1267 C VAL A 79 -1.344 4.214 11.834 1.00 0.00 C ATOM 1268 O VAL A 79 -1.273 4.673 12.974 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.644 4.986 11.261 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -4.890 4.648 10.448 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -4.060 5.306 12.700 1.00 0.00 C ATOM 0 H VAL A 79 -4.141 2.885 12.457 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.532 3.462 10.216 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.140 5.851 10.829 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.573 5.497 10.459 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.604 4.426 9.420 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.384 3.779 10.883 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.742 6.156 12.701 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.559 4.440 13.136 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.176 5.549 13.289 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.280 4.059 11.053 1.00 0.00 N ATOM 1282 CA PHE A 80 1.049 4.431 11.518 1.00 0.00 C ATOM 1283 C PHE A 80 1.419 5.838 11.056 1.00 0.00 C ATOM 1284 O PHE A 80 1.132 6.223 9.922 1.00 0.00 O ATOM 1285 CB PHE A 80 2.085 3.432 11.006 1.00 0.00 C ATOM 1286 CG PHE A 80 2.409 2.450 12.104 1.00 0.00 C ATOM 1287 CD1 PHE A 80 1.626 1.302 12.265 1.00 0.00 C ATOM 1288 CD2 PHE A 80 3.492 2.685 12.959 1.00 0.00 C ATOM 1289 CE1 PHE A 80 1.923 0.389 13.279 1.00 0.00 C ATOM 1290 CE2 PHE A 80 3.791 1.770 13.975 1.00 0.00 C ATOM 1291 CZ PHE A 80 3.006 0.622 14.136 1.00 0.00 C ATOM 0 H PHE A 80 -0.312 3.683 10.106 1.00 0.00 H new ATOM 0 HA PHE A 80 1.040 4.417 12.608 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.700 2.906 10.132 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.988 3.955 10.691 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.791 1.122 11.604 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.096 3.571 12.835 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.318 -0.497 13.402 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.627 1.949 14.635 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.235 -0.084 14.921 1.00 0.00 H new ATOM 1301 N ILE A 81 2.062 6.596 11.944 1.00 0.00 N ATOM 1302 CA ILE A 81 2.476 7.961 11.625 1.00 0.00 C ATOM 1303 C ILE A 81 3.988 8.109 11.758 1.00 0.00 C ATOM 1304 O ILE A 81 4.558 7.900 12.838 1.00 0.00 O ATOM 1305 CB ILE A 81 1.784 8.961 12.556 1.00 0.00 C ATOM 1306 CG1 ILE A 81 0.438 8.392 13.006 1.00 0.00 C ATOM 1307 CG2 ILE A 81 1.555 10.280 11.812 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -0.342 9.468 13.765 1.00 0.00 C ATOM 0 H ILE A 81 2.306 6.289 12.886 1.00 0.00 H new ATOM 0 HA ILE A 81 2.187 8.168 10.595 1.00 0.00 H new ATOM 0 HB ILE A 81 2.414 9.140 13.427 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.134 8.055 12.141 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.594 7.522 13.644 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.062 10.991 12.475 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.513 10.688 11.490 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.926 10.101 10.940 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.302 9.063 14.086 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.229 9.784 14.638 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.510 10.325 13.112 1.00 0.00 H new ATOM 1405 N GLY A 88 14.103 8.797 11.668 1.00 0.00 N ATOM 1406 CA GLY A 88 15.507 8.513 11.386 1.00 0.00 C ATOM 1407 C GLY A 88 15.804 7.024 11.521 1.00 0.00 C ATOM 1408 O GLY A 88 16.606 6.469 10.769 1.00 0.00 O ATOM 0 HA2 GLY A 88 15.753 8.846 10.378 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.140 9.077 12.071 1.00 0.00 H new ATOM 1412 N VAL A 89 15.156 6.381 12.486 1.00 0.00 N ATOM 1413 CA VAL A 89 15.360 4.956 12.711 1.00 0.00 C ATOM 1414 C VAL A 89 14.345 4.138 11.924 1.00 0.00 C ATOM 1415 O VAL A 89 13.245 4.610 11.635 1.00 0.00 O ATOM 1416 CB VAL A 89 15.238 4.644 14.203 1.00 0.00 C ATOM 1417 CG1 VAL A 89 15.654 5.871 15.013 1.00 0.00 C ATOM 1418 CG2 VAL A 89 13.789 4.278 14.542 1.00 0.00 C ATOM 0 H VAL A 89 14.490 6.821 13.121 1.00 0.00 H new ATOM 0 HA VAL A 89 16.359 4.689 12.368 1.00 0.00 H new ATOM 0 HB VAL A 89 15.887 3.804 14.448 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.568 5.651 16.077 1.00 0.00 H new ATOM 0 HG12 VAL A 89 16.687 6.129 14.778 1.00 0.00 H new ATOM 0 HG13 VAL A 89 15.005 6.710 14.762 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.709 4.057 15.606 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.135 5.114 14.295 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.491 3.402 13.966 1.00 0.00 H new ATOM 1428 N THR A 90 14.715 2.910 11.585 1.00 0.00 N ATOM 1429 CA THR A 90 13.817 2.040 10.840 1.00 0.00 C ATOM 1430 C THR A 90 12.920 1.255 11.794 1.00 0.00 C ATOM 1431 O THR A 90 13.331 0.918 12.904 1.00 0.00 O ATOM 1432 CB THR A 90 14.622 1.066 9.977 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.007 1.232 10.247 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.353 1.339 8.497 1.00 0.00 C ATOM 0 H THR A 90 15.620 2.498 11.811 1.00 0.00 H new ATOM 0 HA THR A 90 13.193 2.661 10.197 1.00 0.00 H new ATOM 0 HB THR A 90 14.323 0.044 10.212 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.525 0.608 9.697 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.929 0.642 7.888 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.291 1.209 8.290 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.647 2.361 8.256 1.00 0.00 H new ATOM 1442 N ASN A 91 11.693 0.969 11.354 1.00 0.00 N ATOM 1443 CA ASN A 91 10.750 0.221 12.183 1.00 0.00 C ATOM 1444 C ASN A 91 10.217 -0.988 11.424 1.00 0.00 C ATOM 1445 O ASN A 91 9.592 -0.842 10.375 1.00 0.00 O ATOM 1446 CB ASN A 91 9.589 1.126 12.595 1.00 0.00 C ATOM 1447 CG ASN A 91 10.000 2.588 12.466 1.00 0.00 C ATOM 1448 OD1 ASN A 91 9.449 3.320 11.643 1.00 0.00 O ATOM 1449 ND2 ASN A 91 10.946 3.060 13.233 1.00 0.00 N ATOM 0 H ASN A 91 11.333 1.241 10.439 1.00 0.00 H new ATOM 0 HA ASN A 91 11.270 -0.127 13.075 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.721 0.927 11.967 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.296 0.911 13.623 1.00 0.00 H new ATOM 0 HD21 ASN A 91 11.230 4.036 13.151 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.401 2.452 13.914 1.00 0.00 H new ATOM 1456 N ILE A 92 10.469 -2.180 11.962 1.00 0.00 N ATOM 1457 CA ILE A 92 10.008 -3.412 11.328 1.00 0.00 C ATOM 1458 C ILE A 92 8.550 -3.677 11.690 1.00 0.00 C ATOM 1459 O ILE A 92 8.242 -4.097 12.806 1.00 0.00 O ATOM 1460 CB ILE A 92 10.870 -4.590 11.784 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.340 -4.161 11.844 1.00 0.00 C ATOM 1462 CG2 ILE A 92 10.713 -5.752 10.800 1.00 0.00 C ATOM 1463 CD1 ILE A 92 12.733 -3.461 10.541 1.00 0.00 C ATOM 0 H ILE A 92 10.987 -2.318 12.830 1.00 0.00 H new ATOM 0 HA ILE A 92 10.093 -3.300 10.247 1.00 0.00 H new ATOM 0 HB ILE A 92 10.548 -4.910 12.775 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.498 -3.491 12.689 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.976 -5.032 12.005 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.328 -6.591 11.126 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.668 -6.060 10.765 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.031 -5.434 9.807 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.779 -3.159 10.591 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.593 -4.145 9.704 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.108 -2.580 10.398 1.00 0.00 H new ATOM 1475 N LEU A 93 7.655 -3.417 10.744 1.00 0.00 N ATOM 1476 CA LEU A 93 6.232 -3.621 10.977 1.00 0.00 C ATOM 1477 C LEU A 93 5.750 -4.891 10.293 1.00 0.00 C ATOM 1478 O LEU A 93 5.968 -5.082 9.100 1.00 0.00 O ATOM 1479 CB LEU A 93 5.441 -2.423 10.434 1.00 0.00 C ATOM 1480 CG LEU A 93 5.286 -1.354 11.519 1.00 0.00 C ATOM 1481 CD1 LEU A 93 6.652 -0.751 11.843 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.353 -0.250 11.013 1.00 0.00 C ATOM 0 H LEU A 93 7.888 -3.067 9.815 1.00 0.00 H new ATOM 0 HA LEU A 93 6.071 -3.716 12.051 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.954 -2.002 9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.459 -2.751 10.094 1.00 0.00 H new ATOM 0 HG LEU A 93 4.867 -1.807 12.417 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.540 0.010 12.615 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.320 -1.535 12.200 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.072 -0.297 10.945 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.241 0.513 11.783 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.776 0.201 10.115 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.377 -0.677 10.780 1.00 0.00 H new ATOM 1494 N LYS A 94 5.087 -5.751 11.055 1.00 0.00 N ATOM 1495 CA LYS A 94 4.566 -6.995 10.511 1.00 0.00 C ATOM 1496 C LYS A 94 3.207 -6.749 9.867 1.00 0.00 C ATOM 1497 O LYS A 94 2.211 -6.527 10.559 1.00 0.00 O ATOM 1498 CB LYS A 94 4.429 -8.027 11.627 1.00 0.00 C ATOM 1499 CG LYS A 94 4.129 -9.404 11.028 1.00 0.00 C ATOM 1500 CD LYS A 94 5.434 -10.181 10.838 1.00 0.00 C ATOM 1501 CE LYS A 94 5.790 -10.912 12.134 1.00 0.00 C ATOM 1502 NZ LYS A 94 5.192 -12.277 12.110 1.00 0.00 N ATOM 0 H LYS A 94 4.899 -5.610 12.047 1.00 0.00 H new ATOM 0 HA LYS A 94 5.256 -7.372 9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.348 -8.067 12.212 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.630 -7.735 12.308 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.457 -9.958 11.684 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.619 -9.292 10.071 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.327 -10.896 10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.238 -9.499 10.561 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.873 -10.979 12.242 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.418 -10.354 12.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.432 -12.777 12.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.158 -12.202 12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.568 -12.806 11.298 1.00 0.00 H new ATOM 1516 N THR A 95 3.171 -6.782 8.542 1.00 0.00 N ATOM 1517 CA THR A 95 1.928 -6.550 7.827 1.00 0.00 C ATOM 1518 C THR A 95 1.103 -7.824 7.749 1.00 0.00 C ATOM 1519 O THR A 95 1.605 -8.918 7.993 1.00 0.00 O ATOM 1520 CB THR A 95 2.222 -6.032 6.422 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.466 -7.132 5.556 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.451 -5.129 6.468 1.00 0.00 C ATOM 0 H THR A 95 3.979 -6.965 7.948 1.00 0.00 H new ATOM 0 HA THR A 95 1.353 -5.801 8.372 1.00 0.00 H new ATOM 0 HB THR A 95 1.369 -5.465 6.051 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.248 -7.630 5.873 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.666 -4.756 5.467 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.260 -4.289 7.135 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.306 -5.697 6.835 1.00 0.00 H new ATOM 1530 N THR A 96 -0.168 -7.666 7.408 1.00 0.00 N ATOM 1531 CA THR A 96 -1.068 -8.805 7.305 1.00 0.00 C ATOM 1532 C THR A 96 -0.615 -9.748 6.193 1.00 0.00 C ATOM 1533 O THR A 96 -0.853 -10.954 6.255 1.00 0.00 O ATOM 1534 CB THR A 96 -2.500 -8.316 7.046 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.413 -9.194 7.687 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.792 -8.301 5.553 1.00 0.00 C ATOM 0 H THR A 96 -0.597 -6.765 7.199 1.00 0.00 H new ATOM 0 HA THR A 96 -1.048 -9.355 8.246 1.00 0.00 H new ATOM 0 HB THR A 96 -2.607 -7.305 7.440 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.330 -8.886 7.527 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.811 -7.952 5.385 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.092 -7.632 5.052 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.682 -9.308 5.151 1.00 0.00 H new ATOM 1544 N GLN A 97 0.042 -9.193 5.179 1.00 0.00 N ATOM 1545 CA GLN A 97 0.524 -9.992 4.060 1.00 0.00 C ATOM 1546 C GLN A 97 1.380 -11.154 4.565 1.00 0.00 C ATOM 1547 O GLN A 97 1.574 -12.145 3.860 1.00 0.00 O ATOM 1548 CB GLN A 97 1.358 -9.111 3.126 1.00 0.00 C ATOM 1549 CG GLN A 97 2.102 -9.986 2.117 1.00 0.00 C ATOM 1550 CD GLN A 97 2.650 -9.129 0.984 1.00 0.00 C ATOM 1551 OE1 GLN A 97 2.050 -8.119 0.617 1.00 0.00 O ATOM 1552 NE2 GLN A 97 3.765 -9.475 0.406 1.00 0.00 N ATOM 0 H GLN A 97 0.252 -8.197 5.110 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.333 -10.395 3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.712 -8.406 2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.069 -8.522 3.705 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.918 -10.512 2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.430 -10.745 1.717 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.260 -10.313 0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.143 -8.908 -0.353 1.00 0.00 H new ATOM 1561 N GLY A 98 1.888 -11.027 5.789 1.00 0.00 N ATOM 1562 CA GLY A 98 2.718 -12.073 6.378 1.00 0.00 C ATOM 1563 C GLY A 98 4.179 -11.644 6.417 1.00 0.00 C ATOM 1564 O GLY A 98 4.988 -12.221 7.144 1.00 0.00 O ATOM 0 H GLY A 98 1.740 -10.215 6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.372 -12.293 7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.619 -12.991 5.799 1.00 0.00 H new ATOM 1568 N SER A 99 4.510 -10.629 5.625 1.00 0.00 N ATOM 1569 CA SER A 99 5.877 -10.132 5.575 1.00 0.00 C ATOM 1570 C SER A 99 6.035 -8.901 6.451 1.00 0.00 C ATOM 1571 O SER A 99 5.080 -8.445 7.084 1.00 0.00 O ATOM 1572 CB SER A 99 6.270 -9.799 4.135 1.00 0.00 C ATOM 1573 OG SER A 99 6.577 -11.005 3.445 1.00 0.00 O ATOM 0 H SER A 99 3.856 -10.139 5.015 1.00 0.00 H new ATOM 0 HA SER A 99 6.536 -10.914 5.952 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.455 -9.276 3.634 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.131 -9.131 4.125 1.00 0.00 H new ATOM 0 HG SER A 99 6.828 -10.798 2.521 1.00 0.00 H new ATOM 1579 N LYS A 100 7.257 -8.385 6.492 1.00 0.00 N ATOM 1580 CA LYS A 100 7.559 -7.220 7.306 1.00 0.00 C ATOM 1581 C LYS A 100 7.946 -6.035 6.426 1.00 0.00 C ATOM 1582 O LYS A 100 8.408 -6.210 5.298 1.00 0.00 O ATOM 1583 CB LYS A 100 8.692 -7.533 8.300 1.00 0.00 C ATOM 1584 CG LYS A 100 9.433 -8.831 7.923 1.00 0.00 C ATOM 1585 CD LYS A 100 10.267 -8.606 6.661 1.00 0.00 C ATOM 1586 CE LYS A 100 10.723 -9.950 6.083 1.00 0.00 C ATOM 1587 NZ LYS A 100 9.950 -10.242 4.845 1.00 0.00 N ATOM 0 H LYS A 100 8.052 -8.756 5.971 1.00 0.00 H new ATOM 0 HA LYS A 100 6.663 -6.958 7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.398 -6.703 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.280 -7.627 9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.078 -9.144 8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.716 -9.635 7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.680 -8.063 5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.135 -7.989 6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.790 -9.920 5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.572 -10.743 6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.269 -11.146 4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.938 -10.304 5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.102 -9.481 4.153 1.00 0.00 H new ATOM 1601 N ILE A 101 7.736 -4.827 6.946 1.00 0.00 N ATOM 1602 CA ILE A 101 8.055 -3.615 6.199 1.00 0.00 C ATOM 1603 C ILE A 101 8.824 -2.631 7.081 1.00 0.00 C ATOM 1604 O ILE A 101 8.526 -2.480 8.265 1.00 0.00 O ATOM 1605 CB ILE A 101 6.766 -2.979 5.680 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.113 -1.786 4.787 1.00 0.00 C ATOM 1607 CG2 ILE A 101 5.915 -2.509 6.858 1.00 0.00 C ATOM 1608 CD1 ILE A 101 5.847 -1.250 4.110 1.00 0.00 C ATOM 0 H ILE A 101 7.349 -4.663 7.875 1.00 0.00 H new ATOM 0 HA ILE A 101 8.688 -3.874 5.351 1.00 0.00 H new ATOM 0 HB ILE A 101 6.204 -3.714 5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.578 -1.000 5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.840 -2.086 4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.996 -2.056 6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.668 -3.361 7.491 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.472 -1.774 7.439 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.105 -0.401 3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.400 -2.035 3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.134 -0.932 4.871 1.00 0.00 H new ATOM 1620 N PHE A 102 9.831 -1.985 6.497 1.00 0.00 N ATOM 1621 CA PHE A 102 10.661 -1.039 7.240 1.00 0.00 C ATOM 1622 C PHE A 102 10.183 0.390 7.023 1.00 0.00 C ATOM 1623 O PHE A 102 10.124 0.869 5.891 1.00 0.00 O ATOM 1624 CB PHE A 102 12.124 -1.163 6.796 1.00 0.00 C ATOM 1625 CG PHE A 102 12.344 -2.499 6.125 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.076 -2.572 4.936 1.00 0.00 C ATOM 1627 CD2 PHE A 102 11.808 -3.664 6.687 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.273 -3.806 4.308 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.004 -4.897 6.062 1.00 0.00 C ATOM 1630 CZ PHE A 102 12.736 -4.970 4.870 1.00 0.00 C ATOM 0 H PHE A 102 10.091 -2.098 5.517 1.00 0.00 H new ATOM 0 HA PHE A 102 10.580 -1.276 8.301 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.375 -0.355 6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 102 12.785 -1.065 7.658 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.490 -1.674 4.502 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.242 -3.609 7.605 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.839 -3.861 3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.591 -5.795 6.498 1.00 0.00 H new ATOM 0 HZ PHE A 102 12.886 -5.923 4.385 1.00 0.00 H new ATOM 1640 N LEU A 103 9.842 1.061 8.117 1.00 0.00 N ATOM 1641 CA LEU A 103 9.367 2.440 8.044 1.00 0.00 C ATOM 1642 C LEU A 103 10.369 3.386 8.677 1.00 0.00 C ATOM 1643 O LEU A 103 10.956 3.088 9.715 1.00 0.00 O ATOM 1644 CB LEU A 103 8.029 2.570 8.767 1.00 0.00 C ATOM 1645 CG LEU A 103 6.862 2.266 7.817 1.00 0.00 C ATOM 1646 CD1 LEU A 103 6.611 3.440 6.861 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.157 0.983 7.033 1.00 0.00 C ATOM 0 H LEU A 103 9.885 0.676 9.061 1.00 0.00 H new ATOM 0 HA LEU A 103 9.245 2.703 6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.001 1.885 9.615 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.924 3.578 9.168 1.00 0.00 H new ATOM 0 HG LEU A 103 5.958 2.122 8.408 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.779 3.199 6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.369 4.333 7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.506 3.623 6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.327 0.769 6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.071 1.113 6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.283 0.153 7.728 1.00 0.00 H new ATOM 1659 N LYS A 104 10.556 4.528 8.033 1.00 0.00 N ATOM 1660 CA LYS A 104 11.488 5.527 8.518 1.00 0.00 C ATOM 1661 C LYS A 104 11.075 6.916 8.040 1.00 0.00 C ATOM 1662 O LYS A 104 10.799 7.122 6.859 1.00 0.00 O ATOM 1663 CB LYS A 104 12.892 5.193 8.005 1.00 0.00 C ATOM 1664 CG LYS A 104 13.763 6.455 8.033 1.00 0.00 C ATOM 1665 CD LYS A 104 15.250 6.090 7.919 1.00 0.00 C ATOM 1666 CE LYS A 104 15.621 5.926 6.444 1.00 0.00 C ATOM 1667 NZ LYS A 104 16.082 7.238 5.905 1.00 0.00 N ATOM 0 H LYS A 104 10.072 4.784 7.172 1.00 0.00 H new ATOM 0 HA LYS A 104 11.485 5.524 9.608 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.341 4.415 8.623 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.835 4.800 6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.482 7.116 7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.588 7.003 8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.863 6.868 8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.452 5.166 8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.407 5.178 6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.761 5.569 5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.335 7.132 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.319 7.938 5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.914 7.560 6.440 1.00 0.00 H new ATOM 1681 N GLU A 105 11.044 7.865 8.964 1.00 0.00 N ATOM 1682 CA GLU A 105 10.672 9.233 8.632 1.00 0.00 C ATOM 1683 C GLU A 105 11.835 10.180 8.910 1.00 0.00 C ATOM 1684 O GLU A 105 12.413 10.168 9.998 1.00 0.00 O ATOM 1685 CB GLU A 105 9.455 9.658 9.453 1.00 0.00 C ATOM 1686 CG GLU A 105 8.915 10.989 8.926 1.00 0.00 C ATOM 1687 CD GLU A 105 8.860 12.009 10.056 1.00 0.00 C ATOM 1688 OE1 GLU A 105 8.137 11.769 11.008 1.00 0.00 O ATOM 1689 OE2 GLU A 105 9.543 13.016 9.953 1.00 0.00 O ATOM 0 H GLU A 105 11.271 7.714 9.947 1.00 0.00 H new ATOM 0 HA GLU A 105 10.424 9.278 7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.681 8.893 9.396 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.729 9.756 10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.552 11.358 8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.920 10.847 8.504 1.00 0.00 H new ATOM 1696 N VAL A 106 12.176 10.994 7.917 1.00 0.00 N ATOM 1697 CA VAL A 106 13.273 11.943 8.064 1.00 0.00 C ATOM 1698 C VAL A 106 12.898 13.291 7.458 1.00 0.00 C ATOM 1699 O VAL A 106 12.241 13.352 6.423 1.00 0.00 O ATOM 1700 CB VAL A 106 14.526 11.405 7.371 1.00 0.00 C ATOM 1701 CG1 VAL A 106 15.531 12.542 7.180 1.00 0.00 C ATOM 1702 CG2 VAL A 106 15.151 10.315 8.242 1.00 0.00 C ATOM 0 H VAL A 106 11.713 11.016 7.009 1.00 0.00 H new ATOM 0 HA VAL A 106 13.473 12.076 9.127 1.00 0.00 H new ATOM 0 HB VAL A 106 14.259 10.991 6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 106 16.424 12.159 6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 106 15.084 13.324 6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 106 15.802 12.955 8.152 1.00 0.00 H new ATOM 0 HG21 VAL A 106 16.045 9.927 7.754 1.00 0.00 H new ATOM 0 HG22 VAL A 106 15.420 10.734 9.212 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.434 9.506 8.382 1.00 0.00 H new ATOM 1712 N ASN A 107 13.323 14.367 8.108 1.00 0.00 N ATOM 1713 CA ASN A 107 13.031 15.710 7.620 1.00 0.00 C ATOM 1714 C ASN A 107 11.554 15.845 7.254 1.00 0.00 C ATOM 1715 O ASN A 107 11.206 16.500 6.273 1.00 0.00 O ATOM 1716 CB ASN A 107 13.889 16.014 6.390 1.00 0.00 C ATOM 1717 CG ASN A 107 15.352 16.154 6.799 1.00 0.00 C ATOM 1718 OD1 ASN A 107 15.648 16.467 7.952 1.00 0.00 O ATOM 1719 ND2 ASN A 107 16.289 15.940 5.917 1.00 0.00 N ATOM 0 H ASN A 107 13.868 14.337 8.970 1.00 0.00 H new ATOM 0 HA ASN A 107 13.262 16.420 8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.783 15.216 5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.546 16.933 5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 107 17.270 16.032 6.182 1.00 0.00 H new ATOM 0 HD22 ASN A 107 16.041 15.681 4.962 1.00 0.00 H new ATOM 1726 N ASP A 108 10.691 15.222 8.051 1.00 0.00 N ATOM 1727 CA ASP A 108 9.255 15.283 7.799 1.00 0.00 C ATOM 1728 C ASP A 108 8.909 14.598 6.476 1.00 0.00 C ATOM 1729 O ASP A 108 7.964 14.992 5.792 1.00 0.00 O ATOM 1730 CB ASP A 108 8.794 16.742 7.762 1.00 0.00 C ATOM 1731 CG ASP A 108 9.578 17.562 8.783 1.00 0.00 C ATOM 1732 OD1 ASP A 108 10.122 16.970 9.699 1.00 0.00 O ATOM 1733 OD2 ASP A 108 9.619 18.773 8.634 1.00 0.00 O ATOM 0 H ASP A 108 10.957 14.674 8.869 1.00 0.00 H new ATOM 0 HA ASP A 108 8.741 14.761 8.606 1.00 0.00 H new ATOM 0 HB2 ASP A 108 8.940 17.153 6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.727 16.801 7.978 1.00 0.00 H new ATOM 1738 N THR A 109 9.676 13.566 6.131 1.00 0.00 N ATOM 1739 CA THR A 109 9.442 12.819 4.895 1.00 0.00 C ATOM 1740 C THR A 109 9.251 11.341 5.194 1.00 0.00 C ATOM 1741 O THR A 109 10.146 10.690 5.732 1.00 0.00 O ATOM 1742 CB THR A 109 10.621 12.979 3.936 1.00 0.00 C ATOM 1743 OG1 THR A 109 10.844 14.359 3.680 1.00 0.00 O ATOM 1744 CG2 THR A 109 10.298 12.261 2.629 1.00 0.00 C ATOM 0 H THR A 109 10.462 13.228 6.687 1.00 0.00 H new ATOM 0 HA THR A 109 8.540 13.219 4.432 1.00 0.00 H new ATOM 0 HB THR A 109 11.519 12.549 4.380 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.601 14.460 3.066 1.00 0.00 H new ATOM 0 HG21 THR A 109 11.134 12.370 1.938 1.00 0.00 H new ATOM 0 HG22 THR A 109 10.127 11.203 2.828 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.402 12.697 2.186 1.00 0.00 H new ATOM 1752 N LEU A 110 8.090 10.814 4.827 1.00 0.00 N ATOM 1753 CA LEU A 110 7.812 9.400 5.047 1.00 0.00 C ATOM 1754 C LEU A 110 8.668 8.562 4.110 1.00 0.00 C ATOM 1755 O LEU A 110 8.362 8.427 2.917 1.00 0.00 O ATOM 1756 CB LEU A 110 6.328 9.108 4.803 1.00 0.00 C ATOM 1757 CG LEU A 110 5.871 7.900 5.631 1.00 0.00 C ATOM 1758 CD1 LEU A 110 4.461 7.506 5.202 1.00 0.00 C ATOM 1759 CD2 LEU A 110 6.802 6.711 5.391 1.00 0.00 C ATOM 0 H LEU A 110 7.335 11.335 4.382 1.00 0.00 H new ATOM 0 HA LEU A 110 8.052 9.145 6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.732 9.982 5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.160 8.914 3.744 1.00 0.00 H new ATOM 0 HG LEU A 110 5.890 8.168 6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.129 6.648 5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.783 8.343 5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.462 7.246 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.466 5.861 5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.787 6.445 4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.817 6.979 5.683 1.00 0.00 H new ATOM 1771 N LEU A 111 9.741 8.000 4.659 1.00 0.00 N ATOM 1772 CA LEU A 111 10.642 7.175 3.871 1.00 0.00 C ATOM 1773 C LEU A 111 10.462 5.715 4.247 1.00 0.00 C ATOM 1774 O LEU A 111 10.631 5.335 5.403 1.00 0.00 O ATOM 1775 CB LEU A 111 12.092 7.607 4.082 1.00 0.00 C ATOM 1776 CG LEU A 111 12.345 8.855 3.231 1.00 0.00 C ATOM 1777 CD1 LEU A 111 13.020 9.961 4.038 1.00 0.00 C ATOM 1778 CD2 LEU A 111 13.230 8.472 2.060 1.00 0.00 C ATOM 0 H LEU A 111 10.004 8.101 5.639 1.00 0.00 H new ATOM 0 HA LEU A 111 10.402 7.302 2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.276 7.820 5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.773 6.806 3.795 1.00 0.00 H new ATOM 0 HG LEU A 111 11.386 9.237 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.183 10.829 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.382 10.241 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 111 13.978 9.603 4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.419 9.351 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.176 8.079 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.731 7.710 1.461 1.00 0.00 H new ATOM 1790 N VAL A 112 10.102 4.911 3.264 1.00 0.00 N ATOM 1791 CA VAL A 112 9.871 3.482 3.509 1.00 0.00 C ATOM 1792 C VAL A 112 10.780 2.623 2.628 1.00 0.00 C ATOM 1793 O VAL A 112 10.961 2.913 1.455 1.00 0.00 O ATOM 1794 CB VAL A 112 8.393 3.135 3.258 1.00 0.00 C ATOM 1795 CG1 VAL A 112 7.865 3.855 2.009 1.00 0.00 C ATOM 1796 CG2 VAL A 112 8.251 1.618 3.092 1.00 0.00 C ATOM 0 H VAL A 112 9.962 5.208 2.298 1.00 0.00 H new ATOM 0 HA VAL A 112 10.111 3.268 4.550 1.00 0.00 H new ATOM 0 HB VAL A 112 7.803 3.467 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.818 3.593 1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 112 7.953 4.933 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.448 3.551 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.205 1.368 2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.853 1.287 2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.594 1.119 3.998 1.00 0.00 H new ATOM 1806 N ASN A 113 11.339 1.558 3.191 1.00 0.00 N ATOM 1807 CA ASN A 113 12.212 0.673 2.418 1.00 0.00 C ATOM 1808 C ASN A 113 13.387 1.443 1.825 1.00 0.00 C ATOM 1809 O ASN A 113 14.036 0.976 0.889 1.00 0.00 O ATOM 1810 CB ASN A 113 11.415 0.019 1.288 1.00 0.00 C ATOM 1811 CG ASN A 113 11.566 -1.496 1.351 1.00 0.00 C ATOM 1812 OD1 ASN A 113 12.090 -2.108 0.420 1.00 0.00 O ATOM 1813 ND2 ASN A 113 11.132 -2.141 2.398 1.00 0.00 N ATOM 0 H ASN A 113 11.208 1.286 4.165 1.00 0.00 H new ATOM 0 HA ASN A 113 12.601 -0.092 3.090 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.363 0.291 1.370 1.00 0.00 H new ATOM 0 HB3 ASN A 113 11.766 0.388 0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 113 11.226 -3.155 2.447 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.698 -1.631 3.168 1.00 0.00 H new ATOM 1820 N GLU A 114 13.657 2.621 2.377 1.00 0.00 N ATOM 1821 CA GLU A 114 14.760 3.450 1.900 1.00 0.00 C ATOM 1822 C GLU A 114 14.361 4.229 0.646 1.00 0.00 C ATOM 1823 O GLU A 114 15.217 4.616 -0.150 1.00 0.00 O ATOM 1824 CB GLU A 114 15.976 2.576 1.588 1.00 0.00 C ATOM 1825 CG GLU A 114 17.257 3.364 1.862 1.00 0.00 C ATOM 1826 CD GLU A 114 18.474 2.520 1.502 1.00 0.00 C ATOM 1827 OE1 GLU A 114 19.506 2.711 2.121 1.00 0.00 O ATOM 1828 OE2 GLU A 114 18.354 1.693 0.613 1.00 0.00 O ATOM 0 H GLU A 114 13.130 3.023 3.152 1.00 0.00 H new ATOM 0 HA GLU A 114 15.010 4.161 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.954 1.674 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.949 2.256 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 114 17.258 4.286 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.300 3.650 2.913 1.00 0.00 H new ATOM 1835 N LEU A 115 13.060 4.454 0.479 1.00 0.00 N ATOM 1836 CA LEU A 115 12.553 5.190 -0.681 1.00 0.00 C ATOM 1837 C LEU A 115 11.608 6.295 -0.228 1.00 0.00 C ATOM 1838 O LEU A 115 10.974 6.184 0.821 1.00 0.00 O ATOM 1839 CB LEU A 115 11.833 4.221 -1.634 1.00 0.00 C ATOM 1840 CG LEU A 115 10.340 4.081 -1.264 1.00 0.00 C ATOM 1841 CD1 LEU A 115 9.491 5.112 -2.015 1.00 0.00 C ATOM 1842 CD2 LEU A 115 9.865 2.673 -1.631 1.00 0.00 C ATOM 0 H LEU A 115 12.339 4.140 1.128 1.00 0.00 H new ATOM 0 HA LEU A 115 13.389 5.648 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.924 4.580 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.314 3.243 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 115 10.227 4.254 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.444 4.993 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.823 6.117 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.601 4.961 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.811 2.566 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.995 2.513 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.450 1.937 -1.080 1.00 0.00 H new ATOM 1854 N LYS A 116 11.517 7.363 -1.007 1.00 0.00 N ATOM 1855 CA LYS A 116 10.640 8.466 -0.643 1.00 0.00 C ATOM 1856 C LYS A 116 9.243 8.236 -1.209 1.00 0.00 C ATOM 1857 O LYS A 116 9.077 8.051 -2.414 1.00 0.00 O ATOM 1858 CB LYS A 116 11.203 9.777 -1.193 1.00 0.00 C ATOM 1859 CG LYS A 116 11.151 10.879 -0.132 1.00 0.00 C ATOM 1860 CD LYS A 116 12.082 12.007 -0.563 1.00 0.00 C ATOM 1861 CE LYS A 116 13.429 11.893 0.152 1.00 0.00 C ATOM 1862 NZ LYS A 116 14.291 13.042 -0.250 1.00 0.00 N ATOM 0 H LYS A 116 12.030 7.489 -1.880 1.00 0.00 H new ATOM 0 HA LYS A 116 10.580 8.523 0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.233 9.628 -1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.633 10.083 -2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.132 11.250 -0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.455 10.486 0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 116 12.232 11.970 -1.642 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.624 12.970 -0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 116 13.283 11.892 1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.913 10.951 -0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 15.210 12.972 0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 14.438 13.022 -1.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 13.827 13.934 0.017 1.00 0.00 H new ATOM 1876 N SER A 117 8.244 8.246 -0.334 1.00 0.00 N ATOM 1877 CA SER A 117 6.866 8.031 -0.767 1.00 0.00 C ATOM 1878 C SER A 117 6.418 9.132 -1.724 1.00 0.00 C ATOM 1879 O SER A 117 6.987 10.222 -1.741 1.00 0.00 O ATOM 1880 CB SER A 117 5.944 8.014 0.449 1.00 0.00 C ATOM 1881 OG SER A 117 6.486 8.860 1.453 1.00 0.00 O ATOM 0 H SER A 117 8.358 8.399 0.668 1.00 0.00 H new ATOM 0 HA SER A 117 6.815 7.074 -1.287 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.946 8.353 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.841 6.998 0.829 1.00 0.00 H new ATOM 0 HG SER A 117 7.062 8.335 2.047 1.00 0.00 H new ATOM 1887 N LYS A 118 5.390 8.840 -2.518 1.00 0.00 N ATOM 1888 CA LYS A 118 4.872 9.811 -3.467 1.00 0.00 C ATOM 1889 C LYS A 118 3.727 10.602 -2.850 1.00 0.00 C ATOM 1890 O LYS A 118 3.577 11.799 -3.100 1.00 0.00 O ATOM 1891 CB LYS A 118 4.375 9.098 -4.722 1.00 0.00 C ATOM 1892 CG LYS A 118 5.457 9.137 -5.806 1.00 0.00 C ATOM 1893 CD LYS A 118 5.638 10.580 -6.316 1.00 0.00 C ATOM 1894 CE LYS A 118 7.068 11.092 -6.059 1.00 0.00 C ATOM 1895 NZ LYS A 118 7.911 10.812 -7.258 1.00 0.00 N ATOM 0 H LYS A 118 4.905 7.943 -2.520 1.00 0.00 H new ATOM 0 HA LYS A 118 5.676 10.498 -3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 118 4.120 8.065 -4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.465 9.576 -5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.399 8.763 -5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.180 8.482 -6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.422 10.620 -7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.921 11.235 -5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.053 12.162 -5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.490 10.604 -5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 8.878 11.156 -7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.933 9.787 -7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.510 11.298 -8.086 1.00 0.00 H new ATOM 1909 N GLU A 119 2.918 9.928 -2.041 1.00 0.00 N ATOM 1910 CA GLU A 119 1.792 10.591 -1.396 1.00 0.00 C ATOM 1911 C GLU A 119 1.227 9.721 -0.281 1.00 0.00 C ATOM 1912 O GLU A 119 0.541 8.732 -0.532 1.00 0.00 O ATOM 1913 CB GLU A 119 0.703 10.895 -2.428 1.00 0.00 C ATOM 1914 CG GLU A 119 -0.317 11.856 -1.825 1.00 0.00 C ATOM 1915 CD GLU A 119 -1.419 12.160 -2.834 1.00 0.00 C ATOM 1916 OE1 GLU A 119 -2.552 12.332 -2.410 1.00 0.00 O ATOM 1917 OE2 GLU A 119 -1.118 12.216 -4.014 1.00 0.00 O ATOM 0 H GLU A 119 3.018 8.938 -1.818 1.00 0.00 H new ATOM 0 HA GLU A 119 2.142 11.527 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.147 11.333 -3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.211 9.972 -2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.749 11.420 -0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.177 12.781 -1.526 1.00 0.00 H new ATOM 1924 N SER A 120 1.535 10.093 0.957 1.00 0.00 N ATOM 1925 CA SER A 120 1.069 9.335 2.109 1.00 0.00 C ATOM 1926 C SER A 120 0.675 10.271 3.247 1.00 0.00 C ATOM 1927 O SER A 120 0.822 11.486 3.133 1.00 0.00 O ATOM 1928 CB SER A 120 2.183 8.406 2.592 1.00 0.00 C ATOM 1929 OG SER A 120 2.669 7.643 1.496 1.00 0.00 O ATOM 0 H SER A 120 2.102 10.910 1.186 1.00 0.00 H new ATOM 0 HA SER A 120 0.197 8.754 1.810 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.993 8.989 3.031 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.807 7.744 3.372 1.00 0.00 H new ATOM 0 HG SER A 120 3.229 6.911 1.830 1.00 0.00 H new ATOM 1935 N ASP A 121 0.183 9.688 4.342 1.00 0.00 N ATOM 1936 CA ASP A 121 -0.218 10.470 5.517 1.00 0.00 C ATOM 1937 C ASP A 121 -1.651 10.948 5.381 1.00 0.00 C ATOM 1938 O ASP A 121 -2.219 11.514 6.313 1.00 0.00 O ATOM 1939 CB ASP A 121 0.704 11.682 5.700 1.00 0.00 C ATOM 1940 CG ASP A 121 0.790 12.061 7.174 1.00 0.00 C ATOM 1941 OD1 ASP A 121 -0.250 12.285 7.772 1.00 0.00 O ATOM 1942 OD2 ASP A 121 1.896 12.131 7.684 1.00 0.00 O ATOM 0 H ASP A 121 0.052 8.681 4.441 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.138 9.822 6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.699 11.452 5.318 1.00 0.00 H new ATOM 0 HB3 ASP A 121 0.327 12.525 5.122 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.231 10.711 4.213 1.00 0.00 N ATOM 1948 CA ILE A 122 -3.604 11.115 3.953 1.00 0.00 C ATOM 1949 C ILE A 122 -4.537 10.417 4.932 1.00 0.00 C ATOM 1950 O ILE A 122 -4.678 9.196 4.907 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.017 10.751 2.527 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -2.794 10.376 1.667 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -4.750 11.916 1.881 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -1.849 11.573 1.506 1.00 0.00 C ATOM 0 H ILE A 122 -1.773 10.242 3.432 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.671 12.196 4.076 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.678 9.886 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.260 9.546 2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.125 10.035 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.039 11.646 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -5.642 12.152 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -4.095 12.787 1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.994 11.282 0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -2.379 12.393 1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -1.501 11.896 2.487 1.00 0.00 H new ATOM 1966 N MET A 123 -5.155 11.207 5.790 1.00 0.00 N ATOM 1967 CA MET A 123 -6.067 10.690 6.799 1.00 0.00 C ATOM 1968 C MET A 123 -7.449 10.453 6.212 1.00 0.00 C ATOM 1969 O MET A 123 -8.112 11.386 5.762 1.00 0.00 O ATOM 1970 CB MET A 123 -6.169 11.681 7.962 1.00 0.00 C ATOM 1971 CG MET A 123 -5.953 10.957 9.291 1.00 0.00 C ATOM 1972 SD MET A 123 -7.329 9.818 9.579 1.00 0.00 S ATOM 1973 CE MET A 123 -6.352 8.303 9.725 1.00 0.00 C ATOM 0 H MET A 123 -5.041 12.220 5.809 1.00 0.00 H new ATOM 0 HA MET A 123 -5.675 9.739 7.159 1.00 0.00 H new ATOM 0 HB2 MET A 123 -5.426 12.470 7.844 1.00 0.00 H new ATOM 0 HB3 MET A 123 -7.147 12.161 7.956 1.00 0.00 H new ATOM 0 HG2 MET A 123 -5.010 10.410 9.272 1.00 0.00 H new ATOM 0 HG3 MET A 123 -5.886 11.679 10.105 1.00 0.00 H new ATOM 0 HE1 MET A 123 -7.014 7.461 9.926 1.00 0.00 H new ATOM 0 HE2 MET A 123 -5.813 8.127 8.794 1.00 0.00 H new ATOM 0 HE3 MET A 123 -5.639 8.407 10.543 1.00 0.00 H new ATOM 1983 N THR A 124 -7.872 9.194 6.227 1.00 0.00 N ATOM 1984 CA THR A 124 -9.178 8.830 5.694 1.00 0.00 C ATOM 1985 C THR A 124 -10.145 8.515 6.822 1.00 0.00 C ATOM 1986 O THR A 124 -9.830 8.698 8.000 1.00 0.00 O ATOM 1987 CB THR A 124 -9.052 7.625 4.775 1.00 0.00 C ATOM 1988 OG1 THR A 124 -8.924 6.442 5.554 1.00 0.00 O ATOM 1989 CG2 THR A 124 -7.825 7.804 3.886 1.00 0.00 C ATOM 0 H THR A 124 -7.333 8.413 6.600 1.00 0.00 H new ATOM 0 HA THR A 124 -9.564 9.676 5.125 1.00 0.00 H new ATOM 0 HB THR A 124 -9.941 7.540 4.151 1.00 0.00 H new ATOM 0 HG1 THR A 124 -8.421 6.641 6.371 1.00 0.00 H new ATOM 0 HG21 THR A 124 -7.727 6.944 3.224 1.00 0.00 H new ATOM 0 HG22 THR A 124 -7.936 8.710 3.290 1.00 0.00 H new ATOM 0 HG23 THR A 124 -6.934 7.886 4.508 1.00 0.00 H new ATOM 1997 N THR A 125 -11.328 8.050 6.453 1.00 0.00 N ATOM 1998 CA THR A 125 -12.345 7.721 7.446 1.00 0.00 C ATOM 1999 C THR A 125 -12.225 6.272 7.899 1.00 0.00 C ATOM 2000 O THR A 125 -12.922 5.844 8.819 1.00 0.00 O ATOM 2001 CB THR A 125 -13.742 7.972 6.875 1.00 0.00 C ATOM 2002 OG1 THR A 125 -14.697 7.234 7.623 1.00 0.00 O ATOM 2003 CG2 THR A 125 -13.784 7.535 5.414 1.00 0.00 C ATOM 0 H THR A 125 -11.608 7.892 5.485 1.00 0.00 H new ATOM 0 HA THR A 125 -12.188 8.364 8.312 1.00 0.00 H new ATOM 0 HB THR A 125 -13.975 9.035 6.938 1.00 0.00 H new ATOM 0 HG1 THR A 125 -14.265 6.846 8.413 1.00 0.00 H new ATOM 0 HG21 THR A 125 -14.780 7.715 5.009 1.00 0.00 H new ATOM 0 HG22 THR A 125 -13.052 8.105 4.842 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.550 6.473 5.345 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.348 5.519 7.242 1.00 0.00 N ATOM 2012 CA ASN A 126 -11.157 4.113 7.582 1.00 0.00 C ATOM 2013 C ASN A 126 -9.673 3.786 7.703 1.00 0.00 C ATOM 2014 O ASN A 126 -9.274 2.628 7.591 1.00 0.00 O ATOM 2015 CB ASN A 126 -11.795 3.230 6.510 1.00 0.00 C ATOM 2016 CG ASN A 126 -12.508 2.048 7.153 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -11.873 1.309 8.018 1.00 0.00 O flip ATOM 2018 ND2 ASN A 126 -13.676 1.792 6.856 1.00 0.00 N flip ATOM 0 H ASN A 126 -10.763 5.855 6.477 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.635 3.920 8.543 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -12.503 3.814 5.922 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -11.029 2.871 5.822 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -14.169 2.373 6.178 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -14.150 0.999 7.288 1.00 0.00 H new ATOM 2025 N GLY A 127 -8.860 4.812 7.935 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.423 4.615 8.079 1.00 0.00 C ATOM 2027 C GLY A 127 -6.639 5.687 7.334 1.00 0.00 C ATOM 2028 O GLY A 127 -7.151 6.773 7.066 1.00 0.00 O ATOM 0 H GLY A 127 -9.169 5.780 8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.155 4.634 9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.149 3.631 7.699 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.390 5.370 7.007 1.00 0.00 N ATOM 2033 CA VAL A 128 -4.530 6.304 6.288 1.00 0.00 C ATOM 2034 C VAL A 128 -4.131 5.719 4.943 1.00 0.00 C ATOM 2035 O VAL A 128 -4.260 4.515 4.716 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.275 6.598 7.110 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.251 5.479 6.909 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -2.667 7.935 6.669 1.00 0.00 C ATOM 0 H VAL A 128 -4.952 4.476 7.228 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.080 7.231 6.126 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.545 6.655 8.165 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.358 5.693 7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.680 4.531 7.233 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.984 5.415 5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.773 8.140 7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.402 7.884 5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.393 8.733 6.822 1.00 0.00 H new ATOM 2048 N ILE A 129 -3.646 6.580 4.061 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.227 6.150 2.740 1.00 0.00 C ATOM 2050 C ILE A 129 -1.720 6.319 2.568 1.00 0.00 C ATOM 2051 O ILE A 129 -1.130 7.294 3.059 1.00 0.00 O ATOM 2052 CB ILE A 129 -3.950 6.974 1.671 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.383 6.462 1.497 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.208 6.855 0.337 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.227 7.541 0.813 1.00 0.00 C ATOM 0 H ILE A 129 -3.534 7.578 4.238 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.480 5.096 2.629 1.00 0.00 H new ATOM 0 HB ILE A 129 -3.973 8.017 1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.385 5.550 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -5.811 6.210 2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -3.726 7.443 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.190 7.227 0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.179 5.810 0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.248 7.180 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.234 8.441 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -5.801 7.771 -0.164 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.102 5.373 1.862 1.00 0.00 N ATOM 2068 CA HIS A 130 0.330 5.436 1.612 1.00 0.00 C ATOM 2069 C HIS A 130 0.622 5.085 0.162 1.00 0.00 C ATOM 2070 O HIS A 130 0.458 3.942 -0.254 1.00 0.00 O ATOM 2071 CB HIS A 130 1.064 4.469 2.537 1.00 0.00 C ATOM 2072 CG HIS A 130 2.548 4.723 2.514 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.412 5.143 1.528 1.00 0.00 N flip ATOM 2074 CD2 HIS A 130 3.334 4.486 3.626 1.00 0.00 C flip ATOM 2075 CE1 HIS A 130 4.713 5.155 2.023 1.00 0.00 C flip ATOM 2076 NE2 HIS A 130 4.608 4.748 3.289 1.00 0.00 N flip ATOM 0 H HIS A 130 -1.569 4.562 1.458 1.00 0.00 H new ATOM 0 HA HIS A 130 0.678 6.450 1.809 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.688 4.577 3.555 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.862 3.443 2.230 1.00 0.00 H new ATOM 0 HD2 HIS A 130 2.987 4.151 4.592 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.613 5.434 1.496 1.00 0.00 H new ATOM 0 HE2 HIS A 130 5.399 4.648 3.925 1.00 0.00 H new ATOM 2085 N VAL A 131 1.067 6.078 -0.600 1.00 0.00 N ATOM 2086 CA VAL A 131 1.389 5.873 -2.010 1.00 0.00 C ATOM 2087 C VAL A 131 2.891 5.919 -2.229 1.00 0.00 C ATOM 2088 O VAL A 131 3.552 6.891 -1.843 1.00 0.00 O ATOM 2089 CB VAL A 131 0.744 6.958 -2.866 1.00 0.00 C ATOM 2090 CG1 VAL A 131 1.008 6.669 -4.344 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -0.763 6.989 -2.611 1.00 0.00 C ATOM 0 H VAL A 131 1.213 7.031 -0.267 1.00 0.00 H new ATOM 0 HA VAL A 131 1.005 4.894 -2.298 1.00 0.00 H new ATOM 0 HB VAL A 131 1.173 7.925 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.547 7.445 -4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 131 2.083 6.655 -4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.583 5.700 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.220 7.766 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.195 6.022 -2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -0.950 7.202 -1.558 1.00 0.00 H new ATOM 2101 N VAL A 132 3.415 4.874 -2.858 1.00 0.00 N ATOM 2102 CA VAL A 132 4.848 4.797 -3.136 1.00 0.00 C ATOM 2103 C VAL A 132 5.117 4.765 -4.641 1.00 0.00 C ATOM 2104 O VAL A 132 4.185 4.744 -5.453 1.00 0.00 O ATOM 2105 CB VAL A 132 5.432 3.544 -2.485 1.00 0.00 C ATOM 2106 CG1 VAL A 132 5.164 3.578 -0.979 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.773 2.303 -3.091 1.00 0.00 C ATOM 0 H VAL A 132 2.875 4.072 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 132 5.324 5.686 -2.721 1.00 0.00 H new ATOM 0 HB VAL A 132 6.507 3.510 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.581 2.684 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.631 4.463 -0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.089 3.611 -0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 132 5.188 1.408 -2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.698 2.338 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.963 2.278 -4.164 1.00 0.00 H new ATOM 2117 N ASP A 133 6.399 4.761 -5.008 1.00 0.00 N ATOM 2118 CA ASP A 133 6.791 4.729 -6.415 1.00 0.00 C ATOM 2119 C ASP A 133 7.743 3.570 -6.682 1.00 0.00 C ATOM 2120 O ASP A 133 8.664 3.677 -7.494 1.00 0.00 O ATOM 2121 CB ASP A 133 7.466 6.042 -6.801 1.00 0.00 C ATOM 2122 CG ASP A 133 6.966 6.501 -8.165 1.00 0.00 C ATOM 2123 OD1 ASP A 133 6.696 5.644 -8.989 1.00 0.00 O ATOM 2124 OD2 ASP A 133 6.860 7.699 -8.365 1.00 0.00 O ATOM 0 H ASP A 133 7.180 4.779 -4.352 1.00 0.00 H new ATOM 0 HA ASP A 133 5.892 4.592 -7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.254 6.804 -6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 133 8.548 5.911 -6.826 1.00 0.00 H new ATOM 2129 N LYS A 134 7.513 2.460 -5.996 1.00 0.00 N ATOM 2130 CA LYS A 134 8.352 1.283 -6.169 1.00 0.00 C ATOM 2131 C LYS A 134 7.678 0.065 -5.554 1.00 0.00 C ATOM 2132 O LYS A 134 7.035 0.158 -4.508 1.00 0.00 O ATOM 2133 CB LYS A 134 9.727 1.521 -5.524 1.00 0.00 C ATOM 2134 CG LYS A 134 10.230 0.247 -4.831 1.00 0.00 C ATOM 2135 CD LYS A 134 11.698 0.415 -4.426 1.00 0.00 C ATOM 2136 CE LYS A 134 12.046 -0.645 -3.381 1.00 0.00 C ATOM 2137 NZ LYS A 134 13.516 -0.883 -3.379 1.00 0.00 N ATOM 0 H LYS A 134 6.758 2.349 -5.319 1.00 0.00 H new ATOM 0 HA LYS A 134 8.493 1.099 -7.234 1.00 0.00 H new ATOM 0 HB2 LYS A 134 10.442 1.833 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.659 2.332 -4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.623 0.039 -3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 134 10.124 -0.607 -5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.344 0.312 -5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.866 1.413 -4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.719 -0.318 -2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.518 -1.573 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.750 -1.604 -2.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 13.815 -1.214 -4.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 14.011 0.003 -3.150 1.00 0.00 H new ATOM 2151 N LEU A 135 7.847 -1.079 -6.203 1.00 0.00 N ATOM 2152 CA LEU A 135 7.264 -2.314 -5.706 1.00 0.00 C ATOM 2153 C LEU A 135 8.073 -2.824 -4.516 1.00 0.00 C ATOM 2154 O LEU A 135 9.205 -3.278 -4.676 1.00 0.00 O ATOM 2155 CB LEU A 135 7.254 -3.376 -6.814 1.00 0.00 C ATOM 2156 CG LEU A 135 6.522 -4.637 -6.330 1.00 0.00 C ATOM 2157 CD1 LEU A 135 5.051 -4.316 -6.045 1.00 0.00 C ATOM 2158 CD2 LEU A 135 6.597 -5.721 -7.409 1.00 0.00 C ATOM 0 H LEU A 135 8.379 -1.176 -7.068 1.00 0.00 H new ATOM 0 HA LEU A 135 6.239 -2.119 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.764 -2.980 -7.703 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.276 -3.626 -7.098 1.00 0.00 H new ATOM 0 HG LEU A 135 6.999 -4.991 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.542 -5.217 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.989 -3.549 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.574 -3.954 -6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 135 6.077 -6.615 -7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 135 6.127 -5.358 -8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 135 7.641 -5.963 -7.610 1.00 0.00 H new ATOM 2170 N LEU A 136 7.484 -2.752 -3.330 1.00 0.00 N ATOM 2171 CA LEU A 136 8.160 -3.220 -2.126 1.00 0.00 C ATOM 2172 C LEU A 136 8.678 -4.639 -2.335 1.00 0.00 C ATOM 2173 O LEU A 136 7.931 -5.606 -2.187 1.00 0.00 O ATOM 2174 CB LEU A 136 7.185 -3.205 -0.954 1.00 0.00 C ATOM 2175 CG LEU A 136 6.760 -1.765 -0.664 1.00 0.00 C ATOM 2176 CD1 LEU A 136 5.641 -1.760 0.373 1.00 0.00 C ATOM 2177 CD2 LEU A 136 7.948 -0.958 -0.131 1.00 0.00 C ATOM 0 H LEU A 136 6.548 -2.378 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 136 9.001 -2.560 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.311 -3.814 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.653 -3.642 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 136 6.407 -1.310 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 136 5.340 -0.733 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.787 -2.319 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.995 -2.225 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.631 0.065 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 136 8.314 -1.413 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.746 -0.951 -0.874 1.00 0.00 H new